----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 23:35:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) Number of symmetry operations in supercell: 72 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.124424724781079 1.803887455915074 4.952805893333328 b -3.124424724781072 1.803887455915074 4.952805893333328 c 0.000000000000003 -3.607774911830154 4.952805893333328 Atomic positions (fractional): *1 La 0.86815806740260 0.86815806740260 0.86815806740260 138.905 2 La 0.13184193259740 0.13184193259740 0.13184193259740 138.905 *3 Bi 0.64396909060349 0.64396909060349 0.64396909060349 208.980 4 Bi 0.35603090939651 0.35603090939651 0.35603090939651 208.980 *5 O 0.23071291477746 0.00070957338233 0.53472011988543 15.999 6 O 0.99929042661767 0.46527988011457 0.76928708522255 15.999 7 O 0.46527988011457 0.76928708522254 0.99929042661767 15.999 8 O 0.53472011988543 0.23071291477746 0.00070957338233 15.999 9 O 0.00070957338233 0.53472011988543 0.23071291477746 15.999 10 O 0.76928708522255 0.99929042661767 0.46527988011457 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.248849449562151 0.000000000000000 0.000000000000000 b -3.124424724781075 5.411662367745229 0.000000000000000 c 0.000000000000000 0.000000000000000 14.858417679999999 Atomic positions (fractional): *1 La 0.66666666666667 0.33333333333333 0.20149140073593 138.905 > 1 2 La 0.66666666666667 0.33333333333333 0.46517526593073 138.905 > 2 3 La 0.33333333333333 0.66666666666667 0.53482473406927 138.905 > 1 4 La 0.33333333333333 0.66666666666667 0.79850859926407 138.905 > 2 5 La 0.00000000000000 0.00000000000000 0.86815806740260 138.905 > 1 6 La 0.00000000000000 0.00000000000000 0.13184193259740 138.905 > 2 *7 Bi 0.66666666666667 0.33333333333333 0.97730242393682 208.980 > 3 8 Bi 0.66666666666667 0.33333333333333 0.68936424272984 208.980 > 4 9 Bi 0.33333333333333 0.66666666666667 0.31063575727016 208.980 > 3 10 Bi 0.33333333333333 0.66666666666667 0.02269757606318 208.980 > 4 11 Bi 0.00000000000000 0.00000000000000 0.64396909060349 208.980 > 3 12 Bi 0.00000000000000 0.00000000000000 0.35603090939651 208.980 > 4 *13 O 0.64199871209572 0.05399408279631 0.58871420268174 15.999 > 5 14 O 0.92133796263275 0.30866537876238 0.07795246398493 15.999 > 6 15 O 0.38732741612964 0.07866203736725 0.07795246398493 15.999 > 7 16 O 0.94600591720369 0.58800462929941 0.58871420268174 15.999 > 8 17 O 0.41199537070059 0.35800128790428 0.58871420268174 15.999 > 9 18 O 0.69133462123762 0.61267258387036 0.07795246398493 15.999 > 10 19 O 0.30866537876238 0.38732741612964 0.92204753601507 15.999 > 5 20 O 0.58800462929941 0.64199871209572 0.41128579731826 15.999 > 6 21 O 0.05399408279631 0.41199537070059 0.41128579731826 15.999 > 7 22 O 0.61267258387036 0.92133796263275 0.92204753601507 15.999 > 8 23 O 0.07866203736725 0.69133462123762 0.92204753601507 15.999 > 9 24 O 0.35800128790428 0.94600591720369 0.41128579731826 15.999 > 10 25 O 0.97533204542905 0.72066074946297 0.25538086934840 15.999 > 5 26 O 0.25467129596608 0.97533204542905 0.74461913065160 15.999 > 6 27 O 0.72066074946297 0.74532870403392 0.74461913065160 15.999 > 7 28 O 0.27933925053703 0.25467129596608 0.25538086934840 15.999 > 8 29 O 0.74532870403392 0.02466795457095 0.25538086934840 15.999 > 9 30 O 0.02466795457095 0.27933925053703 0.74461913065160 15.999 > 10 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.497698899124302 0.000000000000000 0.000000000000000 b -6.248849449562150 10.823324735490457 0.000000000000000 c 0.000000000000000 0.000000000000000 14.858417679999999 Atomic positions (fractional): *1 La 0.33333333333333 0.16666666666667 0.20149140073593 138.905 > 1 2 La 0.83333333333333 0.16666666666667 0.20149140073593 138.905 > 1 3 La 0.33333333333333 0.66666666666667 0.20149140073593 138.905 > 1 4 La 0.83333333333333 0.66666666666667 0.20149140073593 138.905 > 1 5 La 0.33333333333333 0.16666666666667 0.46517526593073 138.905 > 2 6 La 0.83333333333333 0.16666666666667 0.46517526593073 138.905 > 2 7 La 0.33333333333333 0.66666666666667 0.46517526593073 138.905 > 2 8 La 0.83333333333333 0.66666666666667 0.46517526593073 138.905 > 2 9 La 0.16666666666667 0.33333333333333 0.53482473406927 138.905 > 1 10 La 0.66666666666667 0.33333333333333 0.53482473406927 138.905 > 1 11 La 0.16666666666667 0.83333333333333 0.53482473406927 138.905 > 1 12 La 0.66666666666667 0.83333333333333 0.53482473406927 138.905 > 1 13 La 0.16666666666667 0.33333333333333 0.79850859926407 138.905 > 2 14 La 0.66666666666667 0.33333333333333 0.79850859926407 138.905 > 2 15 La 0.16666666666667 0.83333333333333 0.79850859926407 138.905 > 2 16 La 0.66666666666667 0.83333333333333 0.79850859926407 138.905 > 2 17 La 0.00000000000000 0.00000000000000 0.86815806740260 138.905 > 1 18 La 0.50000000000000 0.00000000000000 0.86815806740260 138.905 > 1 19 La 0.00000000000000 0.50000000000000 0.86815806740260 138.905 > 1 20 La 0.50000000000000 0.50000000000000 0.86815806740260 138.905 > 1 21 La 0.00000000000000 0.00000000000000 0.13184193259740 138.905 > 2 22 La 0.50000000000000 0.00000000000000 0.13184193259740 138.905 > 2 23 La 0.00000000000000 0.50000000000000 0.13184193259740 138.905 > 2 24 La 0.50000000000000 0.50000000000000 0.13184193259740 138.905 > 2 *25 Bi 0.33333333333333 0.16666666666667 0.97730242393682 208.980 > 3 26 Bi 0.83333333333333 0.16666666666667 0.97730242393682 208.980 > 3 27 Bi 0.33333333333333 0.66666666666667 0.97730242393682 208.980 > 3 28 Bi 0.83333333333333 0.66666666666667 0.97730242393682 208.980 > 3 29 Bi 0.33333333333333 0.16666666666667 0.68936424272984 208.980 > 4 30 Bi 0.83333333333333 0.16666666666667 0.68936424272984 208.980 > 4 31 Bi 0.33333333333333 0.66666666666667 0.68936424272984 208.980 > 4 32 Bi 0.83333333333333 0.66666666666667 0.68936424272984 208.980 > 4 33 Bi 0.16666666666667 0.33333333333333 0.31063575727016 208.980 > 3 34 Bi 0.66666666666667 0.33333333333333 0.31063575727016 208.980 > 3 35 Bi 0.16666666666667 0.83333333333333 0.31063575727016 208.980 > 3 36 Bi 0.66666666666667 0.83333333333333 0.31063575727016 208.980 > 3 37 Bi 0.16666666666667 0.33333333333333 0.02269757606318 208.980 > 4 38 Bi 0.66666666666667 0.33333333333333 0.02269757606318 208.980 > 4 39 Bi 0.16666666666667 0.83333333333333 0.02269757606318 208.980 > 4 40 Bi 0.66666666666667 0.83333333333333 0.02269757606318 208.980 > 4 41 Bi 0.00000000000000 0.00000000000000 0.64396909060349 208.980 > 3 42 Bi 0.50000000000000 0.00000000000000 0.64396909060349 208.980 > 3 43 Bi 0.00000000000000 0.50000000000000 0.64396909060349 208.980 > 3 44 Bi 0.50000000000000 0.50000000000000 0.64396909060349 208.980 > 3 45 Bi 0.00000000000000 0.00000000000000 0.35603090939651 208.980 > 4 46 Bi 0.50000000000000 0.00000000000000 0.35603090939651 208.980 > 4 47 Bi 0.00000000000000 0.50000000000000 0.35603090939651 208.980 > 4 48 Bi 0.50000000000000 0.50000000000000 0.35603090939651 208.980 > 4 *49 O 0.32099935604786 0.02699704139815 0.58871420268174 15.999 > 5 50 O 0.82099935604786 0.02699704139815 0.58871420268174 15.999 > 5 51 O 0.32099935604786 0.52699704139815 0.58871420268174 15.999 > 5 52 O 0.82099935604786 0.52699704139815 0.58871420268174 15.999 > 5 53 O 0.46066898131637 0.15433268938119 0.07795246398493 15.999 > 6 54 O 0.96066898131637 0.15433268938119 0.07795246398493 15.999 > 6 55 O 0.46066898131637 0.65433268938119 0.07795246398493 15.999 > 6 56 O 0.96066898131637 0.65433268938119 0.07795246398493 15.999 > 6 57 O 0.19366370806482 0.03933101868363 0.07795246398493 15.999 > 7 58 O 0.69366370806482 0.03933101868363 0.07795246398493 15.999 > 7 59 O 0.19366370806482 0.53933101868363 0.07795246398493 15.999 > 7 60 O 0.69366370806482 0.53933101868363 0.07795246398493 15.999 > 7 61 O 0.47300295860185 0.29400231464971 0.58871420268174 15.999 > 8 62 O 0.97300295860185 0.29400231464971 0.58871420268174 15.999 > 8 63 O 0.47300295860185 0.79400231464971 0.58871420268174 15.999 > 8 64 O 0.97300295860185 0.79400231464971 0.58871420268174 15.999 > 8 65 O 0.20599768535029 0.17900064395214 0.58871420268174 15.999 > 9 66 O 0.70599768535029 0.17900064395214 0.58871420268174 15.999 > 9 67 O 0.20599768535029 0.67900064395214 0.58871420268174 15.999 > 9 68 O 0.70599768535029 0.67900064395214 0.58871420268174 15.999 > 9 69 O 0.34566731061881 0.30633629193518 0.07795246398493 15.999 > 10 70 O 0.84566731061881 0.30633629193518 0.07795246398493 15.999 > 10 71 O 0.34566731061881 0.80633629193518 0.07795246398493 15.999 > 10 72 O 0.84566731061881 0.80633629193518 0.07795246398493 15.999 > 10 73 O 0.15433268938119 0.19366370806482 0.92204753601507 15.999 > 5 74 O 0.65433268938119 0.19366370806482 0.92204753601507 15.999 > 5 75 O 0.15433268938119 0.69366370806482 0.92204753601507 15.999 > 5 76 O 0.65433268938119 0.69366370806482 0.92204753601507 15.999 > 5 77 O 0.29400231464971 0.32099935604786 0.41128579731826 15.999 > 6 78 O 0.79400231464971 0.32099935604786 0.41128579731826 15.999 > 6 79 O 0.29400231464971 0.82099935604786 0.41128579731826 15.999 > 6 80 O 0.79400231464971 0.82099935604786 0.41128579731826 15.999 > 6 81 O 0.02699704139815 0.20599768535029 0.41128579731826 15.999 > 7 82 O 0.52699704139815 0.20599768535029 0.41128579731826 15.999 > 7 83 O 0.02699704139815 0.70599768535029 0.41128579731826 15.999 > 7 84 O 0.52699704139815 0.70599768535029 0.41128579731826 15.999 > 7 85 O 0.30633629193518 0.46066898131637 0.92204753601507 15.999 > 8 86 O 0.80633629193518 0.46066898131637 0.92204753601507 15.999 > 8 87 O 0.30633629193518 0.96066898131637 0.92204753601507 15.999 > 8 88 O 0.80633629193518 0.96066898131637 0.92204753601507 15.999 > 8 89 O 0.03933101868363 0.34566731061881 0.92204753601507 15.999 > 9 90 O 0.53933101868363 0.34566731061881 0.92204753601507 15.999 > 9 91 O 0.03933101868363 0.84566731061881 0.92204753601507 15.999 > 9 92 O 0.53933101868363 0.84566731061881 0.92204753601507 15.999 > 9 93 O 0.17900064395214 0.47300295860185 0.41128579731826 15.999 > 10 94 O 0.67900064395214 0.47300295860185 0.41128579731826 15.999 > 10 95 O 0.17900064395214 0.97300295860185 0.41128579731826 15.999 > 10 96 O 0.67900064395214 0.97300295860185 0.41128579731826 15.999 > 10 97 O 0.48766602271453 0.36033037473149 0.25538086934840 15.999 > 5 98 O 0.98766602271453 0.36033037473149 0.25538086934840 15.999 > 5 99 O 0.48766602271453 0.86033037473149 0.25538086934840 15.999 > 5 100 O 0.98766602271453 0.86033037473149 0.25538086934840 15.999 > 5 101 O 0.12733564798304 0.48766602271453 0.74461913065160 15.999 > 6 102 O 0.62733564798304 0.48766602271453 0.74461913065160 15.999 > 6 103 O 0.12733564798304 0.98766602271453 0.74461913065160 15.999 > 6 104 O 0.62733564798304 0.98766602271453 0.74461913065160 15.999 > 6 105 O 0.36033037473149 0.37266435201696 0.74461913065160 15.999 > 7 106 O 0.86033037473149 0.37266435201696 0.74461913065160 15.999 > 7 107 O 0.36033037473149 0.87266435201696 0.74461913065160 15.999 > 7 108 O 0.86033037473149 0.87266435201696 0.74461913065160 15.999 > 7 109 O 0.13966962526851 0.12733564798304 0.25538086934840 15.999 > 8 110 O 0.63966962526851 0.12733564798304 0.25538086934840 15.999 > 8 111 O 0.13966962526851 0.62733564798304 0.25538086934840 15.999 > 8 112 O 0.63966962526851 0.62733564798304 0.25538086934840 15.999 > 8 113 O 0.37266435201696 0.01233397728547 0.25538086934840 15.999 > 9 114 O 0.87266435201696 0.01233397728547 0.25538086934840 15.999 > 9 115 O 0.37266435201696 0.51233397728547 0.25538086934840 15.999 > 9 116 O 0.87266435201696 0.51233397728547 0.25538086934840 15.999 > 9 117 O 0.01233397728547 0.13966962526851 0.74461913065160 15.999 > 10 118 O 0.51233397728547 0.13966962526851 0.74461913065160 15.999 > 10 119 O 0.01233397728547 0.63966962526851 0.74461913065160 15.999 > 10 120 O 0.51233397728547 0.63966962526851 0.74461913065160 15.999 > 10 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.6409620 0.0000002 0.0000000 -0.0000002 5.6409620 0.0000000 0.0000000 0.0000000 5.2107519 -------------------------- Born effective charges -------------------------- 1 La 4.2394096 -0.2830350 0.0000000 0.2830350 4.2394096 0.0000000 -0.0000000 0.0000000 4.3775280 2 La 4.2394096 -0.2830350 0.0000000 0.2830350 4.2394096 0.0000000 -0.0000000 0.0000000 4.3775280 3 Bi 4.6447404 0.1348501 0.0000000 -0.1348501 4.6447404 0.0000000 -0.0000000 0.0000000 3.3672939 4 Bi 4.6447404 0.1348501 0.0000000 -0.1348501 4.6447404 0.0000000 -0.0000000 0.0000000 3.3672939 5 O -2.5813489 0.4201217 -0.2486365 0.3213317 -3.3414177 -0.8310747 -0.6441185 -0.4930982 -2.5816073 6 O -3.4724593 0.1931511 -0.5954136 0.0943611 -2.4503074 0.6308629 -0.1049763 0.8043721 -2.5816073 7 O -2.8303418 -0.4650878 0.8440501 -0.5638778 -3.0924249 0.2002118 0.7490948 -0.3112739 -2.5816073 8 O -2.8303418 -0.4650878 0.8440501 -0.5638778 -3.0924249 0.2002118 0.7490948 -0.3112739 -2.5816073 9 O -3.4724593 0.1931511 -0.5954136 0.0943611 -2.4503074 0.6308629 -0.1049763 0.8043721 -2.5816073 10 O -2.5813489 0.4201217 -0.2486365 0.3213317 -3.3414177 -0.8310747 -0.6441185 -0.4930982 -2.5816073 ---------------------------------------------------------------------------- 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: 360/360 Permutation basis: 7104/7104 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 940 Number of blocks in projector: 464 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 124 Use standard eigh solver. Tree of FC basis block matrices: - (940, 926), data: False |-- (124, 121), data: True |-- (384, 380), data: True |-- (432, 425), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.011 Solver_block: 100 / 240 - Time: 1.102 Solver_block: 200 / 240 - Time: 1.062 Solver_block: 240 / 240 - Time: 0.484 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.672 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 360/360 Permutation basis: 7104/7104 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 940 Number of blocks in projector: 464 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 124 Use standard eigh solver. Tree of FC basis block matrices: - (940, 926), data: False |-- (124, 121), data: True |-- (384, 380), data: True |-- (432, 425), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 23:35:18]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:35:18]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.124424724781079 1.803887455915074 4.952805893333328 b -3.124424724781072 1.803887455915074 4.952805893333328 c 0.000000000000003 -3.607774911830154 4.952805893333328 Atomic positions (fractional): 1 La 0.86815806740260 0.86815806740260 0.86815806740260 138.905 2 La 0.13184193259740 0.13184193259740 0.13184193259740 138.905 3 Bi 0.64396909060349 0.64396909060349 0.64396909060349 208.980 4 Bi 0.35603090939651 0.35603090939651 0.35603090939651 208.980 5 O 0.23071291477746 0.00070957338233 0.53472011988543 15.999 6 O 0.99929042661767 0.46527988011457 0.76928708522255 15.999 7 O 0.46527988011457 0.76928708522254 0.99929042661767 15.999 8 O 0.53472011988543 0.23071291477746 0.00070957338233 15.999 9 O 0.00070957338233 0.53472011988543 0.23071291477746 15.999 10 O 0.76928708522255 0.99929042661767 0.46527988011457 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.497698899124302 0.000000000000000 0.000000000000000 b -6.248849449562150 10.823324735490457 0.000000000000000 c 0.000000000000000 0.000000000000000 14.858417679999999 Atomic positions (fractional): 1 La 0.33333333333333 0.16666666666667 0.20149140073593 138.905 > 1 2 La 0.83333333333333 0.16666666666667 0.20149140073593 138.905 > 1 3 La 0.33333333333333 0.66666666666667 0.20149140073593 138.905 > 1 4 La 0.83333333333333 0.66666666666667 0.20149140073593 138.905 > 1 5 La 0.33333333333333 0.16666666666667 0.46517526593073 138.905 > 5 6 La 0.83333333333333 0.16666666666667 0.46517526593073 138.905 > 5 7 La 0.33333333333333 0.66666666666667 0.46517526593073 138.905 > 5 8 La 0.83333333333333 0.66666666666667 0.46517526593073 138.905 > 5 9 La 0.16666666666667 0.33333333333333 0.53482473406927 138.905 > 1 10 La 0.66666666666667 0.33333333333333 0.53482473406927 138.905 > 1 11 La 0.16666666666667 0.83333333333333 0.53482473406927 138.905 > 1 12 La 0.66666666666667 0.83333333333333 0.53482473406927 138.905 > 1 13 La 0.16666666666667 0.33333333333333 0.79850859926407 138.905 > 5 14 La 0.66666666666667 0.33333333333333 0.79850859926407 138.905 > 5 15 La 0.16666666666667 0.83333333333333 0.79850859926407 138.905 > 5 16 La 0.66666666666667 0.83333333333333 0.79850859926407 138.905 > 5 17 La 0.00000000000000 0.00000000000000 0.86815806740260 138.905 > 1 18 La 0.50000000000000 0.00000000000000 0.86815806740260 138.905 > 1 19 La 0.00000000000000 0.50000000000000 0.86815806740260 138.905 > 1 20 La 0.50000000000000 0.50000000000000 0.86815806740260 138.905 > 1 21 La 0.00000000000000 0.00000000000000 0.13184193259740 138.905 > 5 22 La 0.50000000000000 0.00000000000000 0.13184193259740 138.905 > 5 23 La 0.00000000000000 0.50000000000000 0.13184193259740 138.905 > 5 24 La 0.50000000000000 0.50000000000000 0.13184193259740 138.905 > 5 25 Bi 0.33333333333333 0.16666666666667 0.97730242393682 208.980 > 25 26 Bi 0.83333333333333 0.16666666666667 0.97730242393682 208.980 > 25 27 Bi 0.33333333333333 0.66666666666667 0.97730242393682 208.980 > 25 28 Bi 0.83333333333333 0.66666666666667 0.97730242393682 208.980 > 25 29 Bi 0.33333333333333 0.16666666666667 0.68936424272984 208.980 > 29 30 Bi 0.83333333333333 0.16666666666667 0.68936424272984 208.980 > 29 31 Bi 0.33333333333333 0.66666666666667 0.68936424272984 208.980 > 29 32 Bi 0.83333333333333 0.66666666666667 0.68936424272984 208.980 > 29 33 Bi 0.16666666666667 0.33333333333333 0.31063575727016 208.980 > 25 34 Bi 0.66666666666667 0.33333333333333 0.31063575727016 208.980 > 25 35 Bi 0.16666666666667 0.83333333333333 0.31063575727016 208.980 > 25 36 Bi 0.66666666666667 0.83333333333333 0.31063575727016 208.980 > 25 37 Bi 0.16666666666667 0.33333333333333 0.02269757606318 208.980 > 29 38 Bi 0.66666666666667 0.33333333333333 0.02269757606318 208.980 > 29 39 Bi 0.16666666666667 0.83333333333333 0.02269757606318 208.980 > 29 40 Bi 0.66666666666667 0.83333333333333 0.02269757606318 208.980 > 29 41 Bi 0.00000000000000 0.00000000000000 0.64396909060349 208.980 > 25 42 Bi 0.50000000000000 0.00000000000000 0.64396909060349 208.980 > 25 43 Bi 0.00000000000000 0.50000000000000 0.64396909060349 208.980 > 25 44 Bi 0.50000000000000 0.50000000000000 0.64396909060349 208.980 > 25 45 Bi 0.00000000000000 0.00000000000000 0.35603090939651 208.980 > 29 46 Bi 0.50000000000000 0.00000000000000 0.35603090939651 208.980 > 29 47 Bi 0.00000000000000 0.50000000000000 0.35603090939651 208.980 > 29 48 Bi 0.50000000000000 0.50000000000000 0.35603090939651 208.980 > 29 49 O 0.32099935604786 0.02699704139815 0.58871420268174 15.999 > 49 50 O 0.82099935604786 0.02699704139815 0.58871420268174 15.999 > 49 51 O 0.32099935604786 0.52699704139815 0.58871420268174 15.999 > 49 52 O 0.82099935604786 0.52699704139815 0.58871420268174 15.999 > 49 53 O 0.46066898131637 0.15433268938119 0.07795246398493 15.999 > 53 54 O 0.96066898131637 0.15433268938119 0.07795246398493 15.999 > 53 55 O 0.46066898131637 0.65433268938119 0.07795246398493 15.999 > 53 56 O 0.96066898131637 0.65433268938119 0.07795246398493 15.999 > 53 57 O 0.19366370806482 0.03933101868363 0.07795246398493 15.999 > 57 58 O 0.69366370806482 0.03933101868363 0.07795246398493 15.999 > 57 59 O 0.19366370806482 0.53933101868363 0.07795246398493 15.999 > 57 60 O 0.69366370806482 0.53933101868363 0.07795246398493 15.999 > 57 61 O 0.47300295860185 0.29400231464971 0.58871420268174 15.999 > 61 62 O 0.97300295860185 0.29400231464971 0.58871420268174 15.999 > 61 63 O 0.47300295860185 0.79400231464971 0.58871420268174 15.999 > 61 64 O 0.97300295860185 0.79400231464971 0.58871420268174 15.999 > 61 65 O 0.20599768535029 0.17900064395214 0.58871420268174 15.999 > 65 66 O 0.70599768535029 0.17900064395214 0.58871420268174 15.999 > 65 67 O 0.20599768535029 0.67900064395214 0.58871420268174 15.999 > 65 68 O 0.70599768535029 0.67900064395214 0.58871420268174 15.999 > 65 69 O 0.34566731061881 0.30633629193518 0.07795246398493 15.999 > 69 70 O 0.84566731061881 0.30633629193518 0.07795246398493 15.999 > 69 71 O 0.34566731061881 0.80633629193518 0.07795246398493 15.999 > 69 72 O 0.84566731061881 0.80633629193518 0.07795246398493 15.999 > 69 73 O 0.15433268938119 0.19366370806482 0.92204753601507 15.999 > 49 74 O 0.65433268938119 0.19366370806482 0.92204753601507 15.999 > 49 75 O 0.15433268938119 0.69366370806482 0.92204753601507 15.999 > 49 76 O 0.65433268938119 0.69366370806482 0.92204753601507 15.999 > 49 77 O 0.29400231464971 0.32099935604786 0.41128579731826 15.999 > 53 78 O 0.79400231464971 0.32099935604786 0.41128579731826 15.999 > 53 79 O 0.29400231464971 0.82099935604786 0.41128579731826 15.999 > 53 80 O 0.79400231464971 0.82099935604786 0.41128579731826 15.999 > 53 81 O 0.02699704139815 0.20599768535029 0.41128579731826 15.999 > 57 82 O 0.52699704139815 0.20599768535029 0.41128579731826 15.999 > 57 83 O 0.02699704139815 0.70599768535029 0.41128579731826 15.999 > 57 84 O 0.52699704139815 0.70599768535029 0.41128579731826 15.999 > 57 85 O 0.30633629193518 0.46066898131637 0.92204753601507 15.999 > 61 86 O 0.80633629193518 0.46066898131637 0.92204753601507 15.999 > 61 87 O 0.30633629193518 0.96066898131637 0.92204753601507 15.999 > 61 88 O 0.80633629193518 0.96066898131637 0.92204753601507 15.999 > 61 89 O 0.03933101868363 0.34566731061881 0.92204753601507 15.999 > 65 90 O 0.53933101868363 0.34566731061881 0.92204753601507 15.999 > 65 91 O 0.03933101868363 0.84566731061881 0.92204753601507 15.999 > 65 92 O 0.53933101868363 0.84566731061881 0.92204753601507 15.999 > 65 93 O 0.17900064395214 0.47300295860185 0.41128579731826 15.999 > 69 94 O 0.67900064395214 0.47300295860185 0.41128579731826 15.999 > 69 95 O 0.17900064395214 0.97300295860185 0.41128579731826 15.999 > 69 96 O 0.67900064395214 0.97300295860185 0.41128579731826 15.999 > 69 97 O 0.48766602271453 0.36033037473149 0.25538086934840 15.999 > 49 98 O 0.98766602271453 0.36033037473149 0.25538086934840 15.999 > 49 99 O 0.48766602271453 0.86033037473149 0.25538086934840 15.999 > 49 100 O 0.98766602271453 0.86033037473149 0.25538086934840 15.999 > 49 101 O 0.12733564798304 0.48766602271453 0.74461913065160 15.999 > 53 102 O 0.62733564798304 0.48766602271453 0.74461913065160 15.999 > 53 103 O 0.12733564798304 0.98766602271453 0.74461913065160 15.999 > 53 104 O 0.62733564798304 0.98766602271453 0.74461913065160 15.999 > 53 105 O 0.36033037473149 0.37266435201696 0.74461913065160 15.999 > 57 106 O 0.86033037473149 0.37266435201696 0.74461913065160 15.999 > 57 107 O 0.36033037473149 0.87266435201696 0.74461913065160 15.999 > 57 108 O 0.86033037473149 0.87266435201696 0.74461913065160 15.999 > 57 109 O 0.13966962526851 0.12733564798304 0.25538086934840 15.999 > 61 110 O 0.63966962526851 0.12733564798304 0.25538086934840 15.999 > 61 111 O 0.13966962526851 0.62733564798304 0.25538086934840 15.999 > 61 112 O 0.63966962526851 0.62733564798304 0.25538086934840 15.999 > 61 113 O 0.37266435201696 0.01233397728547 0.25538086934840 15.999 > 65 114 O 0.87266435201696 0.01233397728547 0.25538086934840 15.999 > 65 115 O 0.37266435201696 0.51233397728547 0.25538086934840 15.999 > 65 116 O 0.87266435201696 0.51233397728547 0.25538086934840 15.999 > 65 117 O 0.01233397728547 0.13966962526851 0.74461913065160 15.999 > 69 118 O 0.51233397728547 0.13966962526851 0.74461913065160 15.999 > 69 119 O 0.01233397728547 0.63966962526851 0.74461913065160 15.999 > 69 120 O 0.51233397728547 0.63966962526851 0.74461913065160 15.999 > 69 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.6409620 0.0000002 0.0000000 -0.0000002 5.6409620 0.0000000 0.0000000 0.0000000 5.2107519 -------------------------- Born effective charges -------------------------- 1 La 4.2394096 -0.2830350 0.0000000 0.2830350 4.2394096 0.0000000 -0.0000000 0.0000000 4.3775280 2 La 4.2394096 -0.2830350 0.0000000 0.2830350 4.2394096 0.0000000 -0.0000000 0.0000000 4.3775280 3 Bi 4.6447404 0.1348501 0.0000000 -0.1348501 4.6447404 0.0000000 -0.0000000 0.0000000 3.3672939 4 Bi 4.6447404 0.1348501 0.0000000 -0.1348501 4.6447404 0.0000000 -0.0000000 0.0000000 3.3672939 5 O -2.5813489 0.4201217 -0.2486365 0.3213317 -3.3414177 -0.8310747 -0.6441185 -0.4930982 -2.5816073 6 O -3.4724593 0.1931511 -0.5954136 0.0943611 -2.4503074 0.6308629 -0.1049763 0.8043721 -2.5816073 7 O -2.8303418 -0.4650878 0.8440501 -0.5638778 -3.0924249 0.2002118 0.7490948 -0.3112739 -2.5816073 8 O -2.8303418 -0.4650878 0.8440501 -0.5638778 -3.0924249 0.2002118 0.7490948 -0.3112739 -2.5816073 9 O -3.4724593 0.1931511 -0.5954136 0.0943611 -2.4503074 0.6308629 -0.1049763 0.8043721 -2.5816073 10 O -2.5813489 0.4201217 -0.2486365 0.3213317 -3.3414177 -0.8310747 -0.6441185 -0.4930982 -2.5816073 ---------------------------------------------------------------------------- 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000002 (yyy) 0.00000002 (yyy) 0.00000002 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yx) 0.00000000 (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 23:35:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:35:29]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.124424724781079 1.803887455915074 4.952805893333328 b -3.124424724781072 1.803887455915074 4.952805893333328 c 0.000000000000003 -3.607774911830154 4.952805893333328 Atomic positions (fractional): 1 La 0.86815806740260 0.86815806740260 0.86815806740260 138.905 2 La 0.13184193259740 0.13184193259740 0.13184193259740 138.905 3 Bi 0.64396909060349 0.64396909060349 0.64396909060349 208.980 4 Bi 0.35603090939651 0.35603090939651 0.35603090939651 208.980 5 O 0.23071291477746 0.00070957338233 0.53472011988543 15.999 6 O 0.99929042661767 0.46527988011457 0.76928708522255 15.999 7 O 0.46527988011457 0.76928708522254 0.99929042661767 15.999 8 O 0.53472011988543 0.23071291477746 0.00070957338233 15.999 9 O 0.00070957338233 0.53472011988543 0.23071291477746 15.999 10 O 0.76928708522255 0.99929042661767 0.46527988011457 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.497698899124302 0.000000000000000 0.000000000000000 b -6.248849449562150 10.823324735490457 0.000000000000000 c 0.000000000000000 0.000000000000000 14.858417679999999 Atomic positions (fractional): 1 La 0.33333333333333 0.16666666666667 0.20149140073593 138.905 > 1 2 La 0.83333333333333 0.16666666666667 0.20149140073593 138.905 > 1 3 La 0.33333333333333 0.66666666666667 0.20149140073593 138.905 > 1 4 La 0.83333333333333 0.66666666666667 0.20149140073593 138.905 > 1 5 La 0.33333333333333 0.16666666666667 0.46517526593073 138.905 > 5 6 La 0.83333333333333 0.16666666666667 0.46517526593073 138.905 > 5 7 La 0.33333333333333 0.66666666666667 0.46517526593073 138.905 > 5 8 La 0.83333333333333 0.66666666666667 0.46517526593073 138.905 > 5 9 La 0.16666666666667 0.33333333333333 0.53482473406927 138.905 > 1 10 La 0.66666666666667 0.33333333333333 0.53482473406927 138.905 > 1 11 La 0.16666666666667 0.83333333333333 0.53482473406927 138.905 > 1 12 La 0.66666666666667 0.83333333333333 0.53482473406927 138.905 > 1 13 La 0.16666666666667 0.33333333333333 0.79850859926407 138.905 > 5 14 La 0.66666666666667 0.33333333333333 0.79850859926407 138.905 > 5 15 La 0.16666666666667 0.83333333333333 0.79850859926407 138.905 > 5 16 La 0.66666666666667 0.83333333333333 0.79850859926407 138.905 > 5 17 La 0.00000000000000 0.00000000000000 0.86815806740260 138.905 > 1 18 La 0.50000000000000 0.00000000000000 0.86815806740260 138.905 > 1 19 La 0.00000000000000 0.50000000000000 0.86815806740260 138.905 > 1 20 La 0.50000000000000 0.50000000000000 0.86815806740260 138.905 > 1 21 La 0.00000000000000 0.00000000000000 0.13184193259740 138.905 > 5 22 La 0.50000000000000 0.00000000000000 0.13184193259740 138.905 > 5 23 La 0.00000000000000 0.50000000000000 0.13184193259740 138.905 > 5 24 La 0.50000000000000 0.50000000000000 0.13184193259740 138.905 > 5 25 Bi 0.33333333333333 0.16666666666667 0.97730242393682 208.980 > 25 26 Bi 0.83333333333333 0.16666666666667 0.97730242393682 208.980 > 25 27 Bi 0.33333333333333 0.66666666666667 0.97730242393682 208.980 > 25 28 Bi 0.83333333333333 0.66666666666667 0.97730242393682 208.980 > 25 29 Bi 0.33333333333333 0.16666666666667 0.68936424272984 208.980 > 29 30 Bi 0.83333333333333 0.16666666666667 0.68936424272984 208.980 > 29 31 Bi 0.33333333333333 0.66666666666667 0.68936424272984 208.980 > 29 32 Bi 0.83333333333333 0.66666666666667 0.68936424272984 208.980 > 29 33 Bi 0.16666666666667 0.33333333333333 0.31063575727016 208.980 > 25 34 Bi 0.66666666666667 0.33333333333333 0.31063575727016 208.980 > 25 35 Bi 0.16666666666667 0.83333333333333 0.31063575727016 208.980 > 25 36 Bi 0.66666666666667 0.83333333333333 0.31063575727016 208.980 > 25 37 Bi 0.16666666666667 0.33333333333333 0.02269757606318 208.980 > 29 38 Bi 0.66666666666667 0.33333333333333 0.02269757606318 208.980 > 29 39 Bi 0.16666666666667 0.83333333333333 0.02269757606318 208.980 > 29 40 Bi 0.66666666666667 0.83333333333333 0.02269757606318 208.980 > 29 41 Bi 0.00000000000000 0.00000000000000 0.64396909060349 208.980 > 25 42 Bi 0.50000000000000 0.00000000000000 0.64396909060349 208.980 > 25 43 Bi 0.00000000000000 0.50000000000000 0.64396909060349 208.980 > 25 44 Bi 0.50000000000000 0.50000000000000 0.64396909060349 208.980 > 25 45 Bi 0.00000000000000 0.00000000000000 0.35603090939651 208.980 > 29 46 Bi 0.50000000000000 0.00000000000000 0.35603090939651 208.980 > 29 47 Bi 0.00000000000000 0.50000000000000 0.35603090939651 208.980 > 29 48 Bi 0.50000000000000 0.50000000000000 0.35603090939651 208.980 > 29 49 O 0.32099935604786 0.02699704139815 0.58871420268174 15.999 > 49 50 O 0.82099935604786 0.02699704139815 0.58871420268174 15.999 > 49 51 O 0.32099935604786 0.52699704139815 0.58871420268174 15.999 > 49 52 O 0.82099935604786 0.52699704139815 0.58871420268174 15.999 > 49 53 O 0.46066898131637 0.15433268938119 0.07795246398493 15.999 > 53 54 O 0.96066898131637 0.15433268938119 0.07795246398493 15.999 > 53 55 O 0.46066898131637 0.65433268938119 0.07795246398493 15.999 > 53 56 O 0.96066898131637 0.65433268938119 0.07795246398493 15.999 > 53 57 O 0.19366370806482 0.03933101868363 0.07795246398493 15.999 > 57 58 O 0.69366370806482 0.03933101868363 0.07795246398493 15.999 > 57 59 O 0.19366370806482 0.53933101868363 0.07795246398493 15.999 > 57 60 O 0.69366370806482 0.53933101868363 0.07795246398493 15.999 > 57 61 O 0.47300295860185 0.29400231464971 0.58871420268174 15.999 > 61 62 O 0.97300295860185 0.29400231464971 0.58871420268174 15.999 > 61 63 O 0.47300295860185 0.79400231464971 0.58871420268174 15.999 > 61 64 O 0.97300295860185 0.79400231464971 0.58871420268174 15.999 > 61 65 O 0.20599768535029 0.17900064395214 0.58871420268174 15.999 > 65 66 O 0.70599768535029 0.17900064395214 0.58871420268174 15.999 > 65 67 O 0.20599768535029 0.67900064395214 0.58871420268174 15.999 > 65 68 O 0.70599768535029 0.67900064395214 0.58871420268174 15.999 > 65 69 O 0.34566731061881 0.30633629193518 0.07795246398493 15.999 > 69 70 O 0.84566731061881 0.30633629193518 0.07795246398493 15.999 > 69 71 O 0.34566731061881 0.80633629193518 0.07795246398493 15.999 > 69 72 O 0.84566731061881 0.80633629193518 0.07795246398493 15.999 > 69 73 O 0.15433268938119 0.19366370806482 0.92204753601507 15.999 > 49 74 O 0.65433268938119 0.19366370806482 0.92204753601507 15.999 > 49 75 O 0.15433268938119 0.69366370806482 0.92204753601507 15.999 > 49 76 O 0.65433268938119 0.69366370806482 0.92204753601507 15.999 > 49 77 O 0.29400231464971 0.32099935604786 0.41128579731826 15.999 > 53 78 O 0.79400231464971 0.32099935604786 0.41128579731826 15.999 > 53 79 O 0.29400231464971 0.82099935604786 0.41128579731826 15.999 > 53 80 O 0.79400231464971 0.82099935604786 0.41128579731826 15.999 > 53 81 O 0.02699704139815 0.20599768535029 0.41128579731826 15.999 > 57 82 O 0.52699704139815 0.20599768535029 0.41128579731826 15.999 > 57 83 O 0.02699704139815 0.70599768535029 0.41128579731826 15.999 > 57 84 O 0.52699704139815 0.70599768535029 0.41128579731826 15.999 > 57 85 O 0.30633629193518 0.46066898131637 0.92204753601507 15.999 > 61 86 O 0.80633629193518 0.46066898131637 0.92204753601507 15.999 > 61 87 O 0.30633629193518 0.96066898131637 0.92204753601507 15.999 > 61 88 O 0.80633629193518 0.96066898131637 0.92204753601507 15.999 > 61 89 O 0.03933101868363 0.34566731061881 0.92204753601507 15.999 > 65 90 O 0.53933101868363 0.34566731061881 0.92204753601507 15.999 > 65 91 O 0.03933101868363 0.84566731061881 0.92204753601507 15.999 > 65 92 O 0.53933101868363 0.84566731061881 0.92204753601507 15.999 > 65 93 O 0.17900064395214 0.47300295860185 0.41128579731826 15.999 > 69 94 O 0.67900064395214 0.47300295860185 0.41128579731826 15.999 > 69 95 O 0.17900064395214 0.97300295860185 0.41128579731826 15.999 > 69 96 O 0.67900064395214 0.97300295860185 0.41128579731826 15.999 > 69 97 O 0.48766602271453 0.36033037473149 0.25538086934840 15.999 > 49 98 O 0.98766602271453 0.36033037473149 0.25538086934840 15.999 > 49 99 O 0.48766602271453 0.86033037473149 0.25538086934840 15.999 > 49 100 O 0.98766602271453 0.86033037473149 0.25538086934840 15.999 > 49 101 O 0.12733564798304 0.48766602271453 0.74461913065160 15.999 > 53 102 O 0.62733564798304 0.48766602271453 0.74461913065160 15.999 > 53 103 O 0.12733564798304 0.98766602271453 0.74461913065160 15.999 > 53 104 O 0.62733564798304 0.98766602271453 0.74461913065160 15.999 > 53 105 O 0.36033037473149 0.37266435201696 0.74461913065160 15.999 > 57 106 O 0.86033037473149 0.37266435201696 0.74461913065160 15.999 > 57 107 O 0.36033037473149 0.87266435201696 0.74461913065160 15.999 > 57 108 O 0.86033037473149 0.87266435201696 0.74461913065160 15.999 > 57 109 O 0.13966962526851 0.12733564798304 0.25538086934840 15.999 > 61 110 O 0.63966962526851 0.12733564798304 0.25538086934840 15.999 > 61 111 O 0.13966962526851 0.62733564798304 0.25538086934840 15.999 > 61 112 O 0.63966962526851 0.62733564798304 0.25538086934840 15.999 > 61 113 O 0.37266435201696 0.01233397728547 0.25538086934840 15.999 > 65 114 O 0.87266435201696 0.01233397728547 0.25538086934840 15.999 > 65 115 O 0.37266435201696 0.51233397728547 0.25538086934840 15.999 > 65 116 O 0.87266435201696 0.51233397728547 0.25538086934840 15.999 > 65 117 O 0.01233397728547 0.13966962526851 0.74461913065160 15.999 > 69 118 O 0.51233397728547 0.13966962526851 0.74461913065160 15.999 > 69 119 O 0.01233397728547 0.63966962526851 0.74461913065160 15.999 > 69 120 O 0.51233397728547 0.63966962526851 0.74461913065160 15.999 > 69 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.6409620 0.0000002 0.0000000 -0.0000002 5.6409620 0.0000000 0.0000000 0.0000000 5.2107519 -------------------------- Born effective charges -------------------------- 1 La 4.2394096 -0.2830350 0.0000000 0.2830350 4.2394096 0.0000000 -0.0000000 0.0000000 4.3775280 2 La 4.2394096 -0.2830350 0.0000000 0.2830350 4.2394096 0.0000000 -0.0000000 0.0000000 4.3775280 3 Bi 4.6447404 0.1348501 0.0000000 -0.1348501 4.6447404 0.0000000 -0.0000000 0.0000000 3.3672939 4 Bi 4.6447404 0.1348501 0.0000000 -0.1348501 4.6447404 0.0000000 -0.0000000 0.0000000 3.3672939 5 O -2.5813489 0.4201217 -0.2486365 0.3213317 -3.3414177 -0.8310747 -0.6441185 -0.4930982 -2.5816073 6 O -3.4724593 0.1931511 -0.5954136 0.0943611 -2.4503074 0.6308629 -0.1049763 0.8043721 -2.5816073 7 O -2.8303418 -0.4650878 0.8440501 -0.5638778 -3.0924249 0.2002118 0.7490948 -0.3112739 -2.5816073 8 O -2.8303418 -0.4650878 0.8440501 -0.5638778 -3.0924249 0.2002118 0.7490948 -0.3112739 -2.5816073 9 O -3.4724593 0.1931511 -0.5954136 0.0943611 -2.4503074 0.6308629 -0.1049763 0.8043721 -2.5816073 10 O -2.5813489 0.4201217 -0.2486365 0.3213317 -3.3414177 -0.8310747 -0.6441185 -0.4930982 -2.5816073 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (yyy) 0.00000002 (yyy) 0.00000002 (yyy) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 10 10 ] 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: 0.75, Number of G-points: 307, Lambda: 0.18 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/172) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 3.071 ( 0.000 0.000 0.000) 0.000 3.071 ( 0.000 0.000 0.000) 0.000 3.113 ( 0.000 0.000 0.000) 0.000 3.251 ( 0.000 0.000 0.000) 0.000 3.251 ( 0.000 0.000 0.000) 0.000 4.421 ( 0.000 0.000 0.000) 0.000 4.968 ( 0.000 0.000 0.000) 0.000 4.968 ( 0.000 0.000 0.000) 0.000 5.223 ( 0.000 0.000 0.000) 0.000 6.056 ( 0.000 0.000 0.000) 0.000 6.219 ( 0.000 0.000 0.000) 0.000 6.219 ( 0.000 0.000 0.000) 0.000 6.895 ( 0.000 0.000 0.000) 0.000 7.047 ( 0.000 0.000 0.000) 0.000 7.047 ( 0.000 0.000 0.000) 0.000 8.508 ( 0.000 0.000 0.000) 0.000 8.508 ( 0.000 0.000 0.000) 0.000 8.736 ( 0.000 0.000 0.000) 0.000 8.736 ( 0.000 0.000 0.000) 0.000 9.340 ( 0.000 0.000 0.000) 0.000 11.058 ( 0.000 0.000 0.000) 0.000 11.531 ( 0.000 0.000 0.000) 0.000 11.531 ( 0.000 0.000 0.000) 0.000 12.162 ( 0.000 0.000 0.000) 0.000 12.162 ( 0.000 0.000 0.000) 0.000 15.540 ( 0.000 0.000 0.000) 0.000 16.135 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/172) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.283 ( 17.627 -4.660 9.245) 20.443 0.333 ( 11.134 7.289 13.146) 18.706 0.818 ( 33.861 24.072 4.264) 41.764 2.931 ( -10.737 -2.861 -5.844) 12.554 2.971 ( -8.699 -7.681 3.553) 12.137 3.081 ( -2.329 -0.289 -2.492) 3.424 3.241 ( 3.308 -4.436 -8.529) 10.167 3.606 ( 5.693 5.236 0.651) 7.762 4.436 ( 2.527 1.340 -4.083) 4.985 4.896 ( -8.207 -2.076 5.219) 9.945 4.965 ( 2.024 -1.797 -3.226) 4.211 5.267 ( -0.166 1.419 3.074) 3.390 5.962 ( -6.706 -3.613 -0.355) 7.626 6.218 ( -3.444 -0.639 1.644) 3.869 6.708 ( -7.182 -5.469 -3.796) 9.793 6.983 ( -3.940 -3.491 -3.538) 6.343 7.114 ( 9.087 7.265 -18.762) 22.076 8.082 ( -30.488 -1.759 -7.015) 31.335 8.227 ( -12.078 -23.232 16.774) 31.096 8.679 ( 4.903 0.547 -3.390) 5.986 8.891 ( 11.997 0.082 3.673) 12.547 9.386 ( 0.441 22.996 -26.427) 35.034 10.042 ( -4.321 -9.994 33.938) 35.642 11.042 ( -3.707 -4.644 15.942) 17.014 11.547 ( 2.605 0.797 -1.078) 2.929 12.173 ( -0.089 -0.281 2.938) 2.953 12.388 ( 19.610 9.471 -0.206) 21.778 15.474 ( 4.070 2.657 -29.832) 30.226 15.684 ( 18.576 10.261 -50.615) 54.884 16.594 ( -12.483 -6.711 40.453) 42.864 ======================= Grid point 2 (3/172) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.600 ( 15.355 0.431 10.266) 18.476 0.676 ( 14.789 5.769 10.594) 19.084 1.557 ( 28.874 19.952 2.739) 35.203 2.657 ( -12.531 -4.952 -7.067) 15.215 2.739 ( -11.172 -10.826 2.757) 15.799 2.976 ( -7.051 -0.873 -6.919) 9.917 3.159 ( 0.286 -5.155 -9.267) 10.608 3.756 ( 4.900 2.483 5.947) 8.096 4.466 ( 3.894 0.804 -5.171) 6.523 4.773 ( -11.315 0.370 8.130) 13.938 4.955 ( 3.476 -3.484 -5.728) 7.552 5.243 ( -6.342 -1.117 3.809) 7.482 5.799 ( -9.559 -4.849 -0.665) 10.739 6.095 ( -13.538 2.068 4.192) 14.322 6.411 ( -15.839 -16.230 -0.192) 22.678 6.870 ( -1.694 -0.916 -6.039) 6.339 7.176 ( 6.256 4.606 -15.686) 17.505 7.594 ( -15.634 -11.722 3.150) 19.792 7.980 ( -6.521 -13.906 0.870) 15.384 8.799 ( 5.303 8.807 -0.090) 10.281 9.058 ( 7.147 -13.310 5.819) 16.190 9.285 ( -19.933 31.753 -7.333) 38.202 10.129 ( 7.889 -4.976 -0.054) 9.327 11.097 ( 2.317 -9.165 19.013) 21.233 11.621 ( 6.593 2.991 -4.624) 8.591 12.174 ( -3.106 -0.233 4.586) 5.544 12.867 ( 24.336 12.757 3.097) 27.651 15.335 ( -0.806 0.562 -23.343) 23.364 15.731 ( 6.504 2.396 -12.799) 14.555 16.590 ( -6.317 -3.024 15.141) 16.683 ======================= Grid point 3 (4/172) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( 10.781 3.844 8.638) 14.340 1.060 ( 18.036 4.929 8.864) 20.692 2.037 ( 6.956 4.016 -1.425) 8.158 2.431 ( -1.100 3.240 -7.195) 7.967 2.472 ( -9.589 -12.413 1.851) 15.794 2.737 ( -12.871 -2.723 -9.292) 16.106 3.067 ( 1.343 -3.343 -6.730) 7.634 3.873 ( 2.813 0.445 5.932) 6.580 4.480 ( -1.520 -5.362 3.324) 6.489 4.671 ( -9.210 8.786 1.873) 12.866 4.933 ( 5.442 -7.427 -7.764) 12.044 5.101 ( -13.437 -1.777 6.323) 14.957 5.539 ( -14.098 -4.623 1.575) 14.920 5.943 ( -16.719 11.813 3.408) 20.753 6.055 ( -2.159 -21.797 0.924) 21.924 6.808 ( 0.287 -3.392 -7.311) 8.065 7.201 ( 4.048 3.886 -13.015) 14.173 7.379 ( -8.296 -5.209 8.505) 12.973 7.759 ( -0.372 -14.907 -10.356) 18.155 8.912 ( -17.872 2.916 14.437) 23.159 8.999 ( 8.922 9.126 -4.601) 13.567 9.387 ( 2.142 16.063 -1.709) 16.295 10.204 ( 6.579 -1.671 -2.005) 7.077 11.157 ( 3.284 -10.601 12.148) 16.454 11.724 ( 7.279 0.314 -4.968) 8.819 12.123 ( -6.863 -0.035 4.309) 8.104 13.404 ( 22.961 13.814 5.370) 27.329 15.150 ( -4.653 -1.407 -17.154) 17.830 15.761 ( 2.807 -0.360 -3.168) 4.247 16.532 ( -5.964 -2.964 5.115) 8.397 ======================= Grid point 4 (5/172) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( 7.096 3.678 5.609) 9.764 1.419 ( 13.559 3.436 5.236) 14.935 1.861 ( -8.585 -7.642 -6.098) 13.011 2.203 ( -12.146 -7.945 1.626) 14.604 2.454 ( -9.785 -1.972 -6.506) 11.915 2.559 ( 4.333 2.407 -4.426) 6.646 3.114 ( 9.352 2.510 -3.320) 10.236 3.930 ( -0.038 -0.474 4.280) 4.306 4.333 ( -11.005 -4.845 4.725) 12.919 4.670 ( -6.199 10.453 1.638) 12.263 4.864 ( 3.916 -11.341 -9.057) 15.032 4.940 ( -6.140 -0.874 4.247) 7.517 5.413 ( -2.904 0.631 4.441) 5.344 5.803 ( -7.211 -2.045 2.701) 7.967 5.977 ( -0.247 -0.034 4.524) 4.531 6.689 ( -1.980 -5.870 -9.908) 11.685 7.170 ( 1.916 0.960 -16.036) 16.178 7.344 ( -8.497 1.809 23.770) 25.308 7.571 ( 5.021 -11.784 -18.351) 22.379 8.792 ( -10.096 4.360 7.930) 13.558 9.193 ( 5.874 6.793 0.498) 8.995 9.541 ( 3.295 7.601 -0.277) 8.288 10.279 ( 4.137 0.301 -0.692) 4.205 11.179 ( 2.333 -6.668 5.652) 9.047 11.776 ( 4.123 -2.463 -3.195) 5.768 12.027 ( -6.971 0.049 2.353) 7.358 13.893 ( 17.281 11.570 5.525) 21.518 14.939 ( -6.577 -3.232 -10.940) 13.168 15.774 ( 1.008 -1.058 -0.067) 1.463 16.432 ( -4.706 -2.418 0.613) 5.326 ======================= Grid point 5 (6/172) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( 0.000 0.000 0.000) 0.000 1.517 ( 0.000 0.000 0.000) 0.000 1.802 ( 0.000 0.000 0.000) 0.000 2.016 ( 0.000 0.000 0.000) 0.000 2.337 ( -0.000 0.000 0.000) 0.000 2.570 ( 0.000 0.000 0.000) 0.000 3.227 ( 0.000 0.000 0.000) 0.000 3.933 ( 0.000 0.000 -0.000) 0.000 4.220 ( 0.000 0.000 0.000) 0.000 4.665 ( 0.000 -0.000 -0.000) 0.000 4.809 ( -0.000 0.000 0.000) 0.000 4.912 ( 0.000 0.000 0.000) 0.000 5.423 ( -0.000 0.000 0.000) 0.000 5.742 ( 0.000 0.000 0.000) 0.000 6.015 ( 0.000 0.000 0.000) 0.000 6.584 ( 0.000 0.000 0.000) 0.000 7.126 ( 0.000 0.000 0.000) 0.000 7.388 ( 0.000 -0.000 -0.000) 0.000 7.479 ( 0.000 0.000 0.000) 0.000 8.761 ( 0.000 -0.000 0.000) 0.000 9.279 ( -0.000 0.000 -0.000) 0.000 9.605 ( 0.000 0.000 0.000) 0.000 10.314 ( 0.000 0.000 0.000) 0.000 11.187 ( 0.000 0.000 0.000) 0.000 11.783 ( 0.000 -0.000 0.000) 0.000 11.971 ( 0.000 0.000 0.000) 0.000 14.143 ( -0.000 -0.000 -0.000) 0.000 14.801 ( 0.000 0.000 0.000) 0.000 15.776 ( 0.000 0.000 0.000) 0.000 16.379 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 12 (7/172) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.320 ( -17.120 9.115 12.087) 22.853 0.451 ( -1.858 8.737 19.921) 21.832 0.875 ( 6.856 39.533 8.874) 41.093 2.877 ( 1.890 -10.895 -5.454) 12.330 3.008 ( -1.468 -8.430 -1.095) 8.627 3.049 ( 0.821 -1.728 -3.435) 3.932 3.330 ( -18.776 2.977 -7.704) 20.512 3.442 ( 14.124 5.142 -3.379) 15.406 4.408 ( -0.277 3.131 -5.312) 6.172 4.814 ( 1.583 -13.344 -2.101) 13.601 5.062 ( -2.303 5.115 5.394) 7.782 5.286 ( 1.836 -0.065 2.853) 3.394 5.970 ( -0.177 -6.430 0.585) 6.459 6.144 ( -0.740 -5.732 -4.620) 7.400 6.717 ( 0.328 6.540 -4.789) 8.112 6.929 ( 0.999 -4.705 -11.639) 12.594 7.147 ( 4.793 10.614 -4.456) 12.470 7.897 ( 13.114 -37.702 -4.569) 40.178 8.329 ( -12.045 -16.603 6.734) 21.589 8.532 ( -19.127 1.794 -3.544) 19.536 8.971 ( 14.831 11.430 1.963) 18.827 9.450 ( 6.786 30.643 -16.844) 35.620 10.168 ( 2.215 -39.114 28.012) 48.161 11.113 ( -4.846 -14.090 19.620) 24.637 11.628 ( -1.792 9.970 7.953) 12.879 12.117 ( 0.780 -2.708 -2.364) 3.678 12.412 ( -2.995 21.575 2.219) 21.894 15.128 ( 0.682 50.816 -68.049) 84.932 15.585 ( -0.257 5.546 -1.932) 5.878 16.735 ( 0.290 -23.139 21.112) 31.324 ======================= Grid point 13 (8/172) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.402 ( 10.092 5.108 11.813) 16.355 0.682 ( 4.788 8.170 14.898) 17.653 1.481 ( 16.249 31.439 7.798) 36.239 2.687 ( -6.807 -11.224 -7.596) 15.166 2.818 ( -9.029 -11.340 0.308) 14.499 2.983 ( -2.538 -3.898 -5.954) 7.555 3.103 ( -5.376 2.023 -11.714) 13.047 3.645 ( 10.599 -1.431 0.845) 10.728 4.407 ( 1.050 3.500 -5.929) 6.964 4.713 ( 4.463 -16.355 -1.598) 17.028 5.053 ( -8.141 6.069 4.521) 11.116 5.314 ( -0.837 -3.240 3.424) 4.787 5.867 ( -5.398 -5.127 0.608) 7.470 6.040 ( 0.706 -14.325 -1.072) 14.383 6.674 ( -10.978 -0.256 7.565) 13.335 6.823 ( -0.720 -6.026 -6.693) 9.035 7.211 ( -4.025 17.620 -15.431) 23.766 7.610 ( 1.100 -32.728 -11.854) 34.826 8.050 ( -18.937 -0.372 1.593) 19.008 8.447 ( 11.933 -8.673 4.188) 15.335 9.167 ( 0.130 1.460 10.260) 10.365 9.657 ( 0.891 25.797 -18.490) 31.752 10.048 ( 1.236 -19.715 15.940) 25.383 11.015 ( -1.425 -14.584 11.961) 18.915 11.561 ( -8.449 2.879 2.954) 9.402 12.320 ( 6.302 1.789 0.459) 6.568 12.690 ( 13.469 25.660 6.505) 29.701 15.189 ( 3.424 20.863 -35.833) 41.605 15.642 ( 2.781 5.338 -4.245) 7.366 16.639 ( -1.013 -17.055 10.520) 20.064 ======================= Grid point 14 (9/172) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.766 ( 17.870 3.151 11.109) 21.276 0.943 ( 8.353 7.494 9.993) 15.026 1.980 ( 9.899 15.170 2.243) 18.252 2.394 ( -7.637 -9.853 -8.356) 15.007 2.578 ( -9.150 -6.188 -0.599) 11.062 2.808 ( -7.132 -4.062 -9.922) 12.876 2.998 ( -1.064 -0.091 -7.314) 7.392 3.778 ( 8.749 -4.741 1.687) 10.093 4.421 ( 2.472 -3.006 -0.940) 4.004 4.628 ( 5.431 -15.170 -4.020) 16.607 4.989 ( -10.696 7.858 2.055) 13.430 5.226 ( -4.729 -10.366 4.497) 12.249 5.738 ( -9.513 0.153 4.366) 10.468 5.899 ( -0.567 -15.789 4.059) 16.313 6.494 ( -23.346 12.749 6.891) 27.478 6.704 ( -0.874 -6.435 -7.382) 9.832 7.122 ( -2.027 4.962 -26.095) 26.640 7.368 ( 4.372 -12.765 -8.081) 15.728 7.780 ( -18.006 1.685 9.708) 20.526 8.640 ( 20.064 -13.928 0.598) 24.432 9.194 ( -3.323 -6.906 13.814) 15.798 9.701 ( -9.215 23.609 -11.153) 27.689 10.086 ( 6.678 -2.452 4.704) 8.529 10.993 ( 6.867 -14.572 7.881) 17.933 11.522 ( 2.131 -3.281 -1.057) 4.053 12.320 ( -6.775 0.912 2.726) 7.360 13.268 ( 20.224 23.876 7.716) 32.228 15.132 ( -3.680 9.811 -20.616) 23.126 15.695 ( 2.967 1.903 -4.010) 5.339 16.526 ( -0.582 -14.562 2.568) 14.798 ======================= Grid point 15 (10/172) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( 9.011 4.365 9.135) 13.553 1.238 ( 14.606 4.219 5.841) 16.287 1.906 ( -10.596 -7.757 -6.658) 14.723 2.249 ( -4.159 -11.087 0.947) 11.879 2.481 ( -1.754 5.076 -6.817) 8.678 2.605 ( -6.687 1.140 -5.842) 8.952 3.009 ( 5.372 6.115 -4.246) 9.181 3.860 ( 6.839 -6.272 0.443) 9.290 4.348 ( -0.772 -21.393 4.652) 21.907 4.566 ( 3.252 -6.489 -6.595) 9.807 4.902 ( -8.868 10.289 -1.949) 13.722 5.103 ( -4.443 -5.136 6.483) 9.389 5.626 ( -11.403 3.830 7.499) 14.175 5.815 ( -1.176 -7.621 5.515) 9.481 6.306 ( -21.709 15.872 5.555) 27.460 6.590 ( 0.292 -2.050 -10.045) 10.256 6.977 ( 5.355 -0.655 -26.544) 27.086 7.290 ( 4.165 -7.022 -12.790) 15.173 7.687 ( -11.066 4.820 22.800) 25.798 8.770 ( 12.153 -19.545 2.083) 23.109 9.149 ( -1.911 -5.915 7.404) 9.667 9.716 ( -6.211 20.579 -7.866) 22.890 10.225 ( 5.814 3.169 2.876) 7.219 11.049 ( 8.143 -10.005 5.336) 13.960 11.534 ( 8.005 -8.481 -3.129) 12.075 12.185 ( -9.635 -4.447 2.915) 11.004 13.826 ( 15.863 21.684 6.587) 27.662 14.998 ( -7.724 5.231 -11.018) 14.437 15.720 ( 2.768 -0.322 -3.625) 4.572 16.391 ( 0.079 -12.843 -2.330) 13.053 ======================= Grid point 16 (11/172) ======================= q-point: ( 0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( 0.655 3.196 3.030) 4.452 1.475 ( 6.621 -0.320 2.712) 7.162 1.744 ( 2.560 0.321 -0.643) 2.659 2.063 ( -6.986 -7.390 0.879) 10.207 2.373 ( -5.091 0.502 -3.784) 6.363 2.584 ( 0.734 4.776 -2.038) 5.244 3.190 ( 7.870 10.241 -3.827) 13.471 3.878 ( 3.561 -7.540 -3.040) 8.875 4.127 ( -0.000 -24.111 4.468) 24.521 4.484 ( -0.843 -5.600 -5.231) 7.710 4.889 ( -2.093 7.104 -3.352) 8.129 5.088 ( -4.275 4.795 8.695) 10.811 5.551 ( -8.328 6.338 2.539) 10.769 5.770 ( -3.622 -0.994 3.282) 4.987 6.127 ( -12.082 3.363 -2.785) 12.846 6.612 ( 1.483 9.563 1.939) 9.870 6.944 ( 11.225 0.175 -22.246) 24.918 7.231 ( 2.129 0.959 -8.162) 8.489 7.765 ( -6.593 4.680 25.245) 26.508 8.685 ( 1.265 -20.961 1.329) 21.041 9.132 ( 4.501 -10.729 -0.658) 11.654 9.745 ( -5.866 14.471 -5.638) 16.601 10.339 ( 1.012 4.272 2.815) 5.216 11.120 ( 5.810 -4.264 0.696) 7.240 11.593 ( 12.211 -9.883 -1.774) 15.809 12.008 ( -6.239 -7.258 2.032) 9.785 14.194 ( 2.432 13.682 1.300) 13.957 14.879 ( -5.247 4.649 0.615) 7.038 15.736 ( 2.903 0.220 -4.465) 5.330 16.289 ( 3.668 -9.905 -3.558) 11.146 ======================= Grid point 17 (12/172) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( -8.014 -1.803 -2.137) 8.488 1.507 ( -5.201 -2.538 -3.465) 6.745 1.863 ( 4.850 5.627 4.818) 8.854 2.030 ( 10.182 0.778 -0.872) 10.249 2.376 ( 5.265 2.470 2.890) 6.493 2.659 ( 0.010 6.490 3.599) 7.421 3.274 ( -6.663 4.840 -0.706) 8.265 3.801 ( 5.985 -10.682 -9.389) 15.430 4.078 ( 11.799 -14.435 4.956) 19.291 4.419 ( 4.303 -3.979 -5.326) 7.919 4.891 ( -0.996 3.838 -3.564) 5.332 5.122 ( -5.161 4.013 7.079) 9.636 5.498 ( -7.806 8.896 -0.732) 11.858 5.710 ( -1.070 -0.407 -4.022) 4.182 6.055 ( -1.944 8.421 1.890) 8.847 6.762 ( 2.454 4.718 7.184) 8.938 7.030 ( 12.578 5.816 -17.597) 22.399 7.285 ( 1.490 9.593 1.007) 9.760 7.874 ( -5.508 4.507 21.770) 22.904 8.510 ( 3.882 -20.762 -3.652) 21.435 9.039 ( 2.371 -19.082 -2.567) 19.400 9.700 ( -9.882 9.725 -3.596) 14.324 10.368 ( -3.757 3.279 3.027) 5.833 11.156 ( 3.935 -0.316 -7.363) 8.355 11.669 ( 7.393 -11.141 -0.135) 13.371 11.951 ( 5.165 -3.022 2.519) 6.492 14.099 ( -18.256 0.293 -3.490) 18.589 14.992 ( 4.087 9.003 10.235) 14.231 15.764 ( 2.668 2.580 -4.165) 5.578 16.286 ( 8.311 -7.229 -3.576) 11.581 ======================= Grid point 18 (13/172) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( -11.029 -3.626 -4.891) 12.598 1.219 ( -16.182 -4.932 -10.007) 19.655 2.076 ( 5.422 5.672 3.738) 8.691 2.249 ( 15.141 -0.457 -1.069) 15.186 2.594 ( 6.925 4.683 4.362) 9.429 2.666 ( -5.983 4.182 7.624) 10.555 3.184 ( -4.442 3.582 4.875) 7.505 3.747 ( 6.435 -9.248 -12.815) 17.063 4.258 ( 18.426 -7.186 1.214) 19.815 4.489 ( 9.505 -2.416 -1.287) 9.891 4.900 ( 2.873 3.225 -3.798) 5.751 5.077 ( -4.550 -0.681 2.490) 5.231 5.510 ( -0.399 11.318 -0.388) 11.332 5.717 ( 4.556 -1.408 -1.912) 5.138 6.195 ( 2.524 12.261 5.508) 13.676 6.829 ( 1.107 -4.680 4.396) 6.515 7.212 ( 9.929 18.089 -15.059) 25.545 7.443 ( -1.928 12.220 13.445) 18.270 7.929 ( -3.100 -1.105 8.110) 8.753 8.450 ( 14.548 -14.639 -5.549) 21.372 8.854 ( 1.079 -22.829 1.692) 22.918 9.579 ( -13.450 8.347 0.346) 15.833 10.345 ( -5.396 3.693 4.058) 7.696 11.125 ( 1.844 -0.155 -16.711) 16.813 11.626 ( 3.336 -14.258 0.567) 14.654 12.099 ( 7.461 3.743 3.291) 8.973 13.686 ( -26.349 -4.260 -2.837) 26.842 15.221 ( 4.754 7.070 11.715) 14.485 15.819 ( 1.207 5.297 1.133) 5.549 16.339 ( 9.595 -7.033 -6.895) 13.750 ======================= Grid point 19 (14/172) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.717 ( -12.726 -4.501 -7.839) 15.609 0.842 ( -17.492 -1.367 -10.154) 20.272 1.929 ( -26.641 -4.986 1.714) 27.158 2.491 ( 15.127 0.198 2.821) 15.390 2.636 ( 7.328 5.781 -2.016) 9.549 2.894 ( 9.602 2.153 6.098) 11.577 3.269 ( 0.942 7.055 5.841) 9.207 3.656 ( 3.199 -8.847 -10.557) 14.140 4.490 ( 16.147 -3.311 -1.698) 16.570 4.558 ( -2.082 0.566 3.190) 3.851 5.029 ( 1.291 3.295 -1.575) 3.873 5.078 ( 12.147 0.570 -0.351) 12.166 5.691 ( 10.770 7.419 1.510) 13.165 5.786 ( 8.961 -2.948 -1.153) 9.504 6.389 ( 5.915 5.371 5.206) 9.536 6.814 ( 3.095 -7.345 3.093) 8.550 7.456 ( 9.229 17.286 -11.094) 22.518 7.546 ( -12.180 5.313 19.038) 23.217 7.941 ( 7.274 3.635 -5.388) 9.754 8.520 ( 11.111 -7.704 -18.634) 23.022 8.806 ( 12.108 -17.911 17.859) 28.042 9.467 ( -13.611 11.312 8.546) 19.653 10.323 ( -7.239 5.179 4.053) 9.780 10.971 ( 0.735 -7.031 -22.824) 23.893 11.554 ( 1.531 -10.075 1.866) 10.360 12.249 ( 2.167 6.439 2.379) 7.198 13.173 ( -29.182 -5.407 -2.502) 29.784 15.407 ( 4.057 3.023 7.399) 8.964 15.933 ( -0.716 8.399 14.637) 16.891 16.335 ( 7.421 -8.543 -15.364) 19.081 ======================= Grid point 20 (15/172) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.408 ( -13.708 -0.369 -10.567) 17.312 0.521 ( -16.951 1.208 -2.503) 17.177 1.363 ( -39.103 -0.299 3.324) 39.245 2.755 ( 15.005 -1.274 3.282) 15.412 2.821 ( 12.066 1.303 -4.376) 12.901 3.039 ( 4.493 0.650 1.296) 4.721 3.320 ( -0.400 -0.598 -6.677) 6.715 3.597 ( -0.251 -0.131 2.687) 2.702 4.503 ( -4.023 -0.271 -0.635) 4.082 4.710 ( 12.339 -0.187 2.715) 12.635 5.018 ( -2.023 1.345 -2.774) 3.687 5.248 ( 3.866 0.358 1.689) 4.234 5.863 ( 7.328 0.681 -0.137) 7.361 6.046 ( 16.777 3.546 0.564) 17.157 6.551 ( 11.524 -3.199 1.300) 12.030 6.888 ( 8.613 -2.072 2.761) 9.279 7.391 ( -11.067 -7.224 1.228) 13.272 7.688 ( 16.804 -5.102 6.971) 18.894 8.144 ( 12.553 3.115 -9.054) 15.788 8.520 ( 1.791 20.810 -15.202) 25.833 8.926 ( 3.362 -16.440 12.432) 20.883 9.581 ( 2.230 13.469 22.226) 26.084 10.105 ( -19.788 -6.890 -14.354) 25.399 10.866 ( 7.584 -1.518 -4.598) 8.998 11.527 ( 0.332 0.570 -0.567) 0.870 12.291 ( -3.152 -1.826 2.129) 4.219 12.659 ( -27.375 0.959 -2.520) 27.508 15.499 ( 2.625 -0.036 0.431) 2.660 16.126 ( 1.492 -1.499 -6.275) 6.622 16.225 ( 1.648 1.584 5.942) 6.366 ======================= Grid point 22 (16/172) ======================= q-point: ( 0.10 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.659 ( -6.481 8.207 14.130) 17.579 0.769 ( -7.189 10.714 16.915) 21.275 1.363 ( -17.121 32.107 3.496) 36.554 2.662 ( 7.152 -11.330 -5.898) 14.639 2.888 ( 4.607 -9.554 -1.252) 10.680 2.938 ( 6.484 -3.983 -5.187) 9.209 3.233 ( 7.862 4.809 -12.785) 15.761 3.615 ( -14.720 -2.645 1.858) 15.071 4.431 ( -2.156 5.175 -4.730) 7.335 4.646 ( -0.405 -17.510 -2.304) 17.665 5.129 ( 5.627 6.965 6.662) 11.161 5.266 ( 2.025 -4.161 2.002) 5.042 5.883 ( 6.089 -3.729 2.060) 7.431 6.027 ( 4.757 -14.644 -0.904) 15.424 6.613 ( 9.345 -22.507 -0.446) 24.374 6.700 ( -1.058 -3.818 -8.515) 9.391 7.065 ( 1.996 17.206 -21.530) 27.633 7.719 ( -5.810 -14.360 8.650) 17.742 8.324 ( 2.456 -12.540 7.309) 14.721 8.576 ( 9.519 2.184 -12.095) 15.546 8.918 ( -2.372 -0.099 7.351) 7.725 9.335 ( 13.943 3.389 2.403) 14.549 10.094 ( -8.186 0.268 -9.704) 12.698 11.239 ( -9.208 -11.813 21.089) 25.867 11.599 ( 12.511 5.299 6.952) 15.262 12.248 ( -5.896 -1.306 -1.794) 6.300 12.755 ( -12.903 24.498 6.642) 28.474 15.159 ( -2.730 19.605 -37.427) 42.339 15.662 ( -3.711 7.435 -4.809) 9.601 16.635 ( 1.137 -17.138 11.353) 20.589 ======================= Grid point 23 (17/172) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.664 ( -14.315 10.247 12.386) 21.525 0.847 ( -2.940 7.084 16.979) 18.631 1.657 ( 5.699 32.749 5.386) 33.675 2.581 ( 0.551 -12.214 -6.243) 13.728 2.776 ( -1.080 -8.023 -8.095) 11.448 2.936 ( -0.275 -7.652 -1.833) 7.874 3.157 ( -7.946 -0.346 -16.352) 18.184 3.489 ( 3.944 -2.268 1.308) 4.734 4.390 ( -0.692 -5.242 -5.392) 7.552 4.512 ( 1.527 -8.003 -0.034) 8.147 5.191 ( -2.372 -5.771 2.140) 6.597 5.308 ( 0.295 1.617 5.075) 5.334 5.908 ( 1.108 -12.013 1.004) 12.106 5.939 ( -4.071 0.703 1.131) 4.284 6.526 ( 19.127 -19.298 -13.833) 30.490 6.733 ( 4.670 -7.196 6.963) 11.049 7.133 ( 4.388 1.303 -11.130) 12.034 7.370 ( -15.311 -11.302 -4.449) 19.544 8.210 ( -1.586 -9.389 5.001) 10.755 8.572 ( -9.800 1.510 6.337) 11.768 9.080 ( 4.665 2.553 -7.302) 9.033 9.636 ( 19.304 -2.942 4.219) 19.978 9.879 ( -6.163 4.738 -10.735) 13.254 11.106 ( -7.776 -11.309 16.633) 21.564 11.919 ( -19.310 3.201 4.791) 20.151 12.038 ( 19.045 -0.613 0.214) 19.057 12.953 ( -1.909 28.440 8.157) 29.648 15.131 ( 2.067 21.333 -31.366) 37.989 15.656 ( -1.321 5.468 -4.013) 6.910 16.515 ( -0.184 -21.205 7.313) 22.431 ======================= Grid point 24 (18/172) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.723 ( 1.300 9.456 13.791) 16.772 1.013 ( 2.142 7.474 12.653) 14.851 2.025 ( 4.545 14.611 1.401) 15.366 2.367 ( -6.795 -9.433 -8.502) 14.402 2.626 ( -4.200 -2.300 -6.207) 7.839 2.770 ( -4.041 -8.288 -6.949) 11.546 2.988 ( -2.524 1.201 -8.337) 8.793 3.566 ( 9.536 -6.600 -2.590) 11.883 4.264 ( 3.059 -19.051 -1.533) 19.356 4.513 ( -0.375 3.668 -0.755) 3.763 5.085 ( 0.685 -13.584 2.228) 13.782 5.280 ( -8.568 2.149 2.983) 9.324 5.805 ( 1.118 -11.086 1.346) 11.223 5.935 ( -6.150 3.926 10.504) 12.789 6.547 ( 9.875 -9.606 -14.565) 20.048 6.778 ( 4.201 -8.325 -1.206) 9.403 6.949 ( -9.809 -10.563 5.308) 15.361 7.190 ( 0.839 6.623 -22.286) 23.264 8.182 ( 6.719 -13.391 5.264) 15.880 8.392 ( -23.853 9.914 7.298) 26.843 9.052 ( 9.414 -18.637 -1.022) 20.905 9.852 ( 0.095 17.763 -11.263) 21.032 9.933 ( 13.409 -2.489 3.991) 14.210 10.995 ( -7.413 -8.537 14.341) 18.262 11.635 ( -14.920 1.818 0.113) 15.031 12.291 ( 8.292 -3.550 -1.040) 9.080 13.345 ( 9.244 29.651 10.302) 32.722 15.134 ( 0.042 13.265 -22.029) 25.715 15.656 ( 0.451 1.830 -4.461) 4.842 16.357 ( 1.121 -21.285 2.102) 21.418 ======================= Grid point 25 (19/172) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( 11.524 6.928 10.637) 17.145 1.212 ( 4.494 7.749 8.753) 12.525 1.949 ( -8.834 -7.085 -7.193) 13.416 2.209 ( -2.243 -6.975 -0.763) 7.366 2.536 ( -4.393 5.845 -9.477) 11.970 2.622 ( -2.266 -4.005 -4.203) 6.233 2.983 ( 3.015 6.507 -4.050) 8.236 3.624 ( 10.187 -9.451 -5.134) 14.814 4.113 ( 2.264 -22.910 0.741) 23.034 4.532 ( -1.205 2.127 1.208) 2.727 5.043 ( 3.148 -7.894 4.633) 9.679 5.161 ( -9.457 4.120 0.622) 10.335 5.735 ( -1.018 -7.566 2.059) 7.907 5.938 ( -6.649 1.682 12.020) 13.839 6.491 ( 0.279 -1.083 -11.393) 11.448 6.637 ( 4.935 -11.959 -17.895) 22.082 6.855 ( -14.782 12.773 6.985) 20.747 7.139 ( 3.261 5.317 -14.368) 15.663 8.127 ( -18.654 6.899 15.281) 25.082 8.283 ( 16.996 -24.735 -0.187) 30.012 9.039 ( 7.305 -15.472 1.227) 17.154 9.909 ( -3.363 16.254 -10.104) 19.431 10.164 ( 10.147 3.877 4.788) 11.871 10.934 ( -0.527 -7.453 9.933) 12.430 11.464 ( -6.823 -1.567 -1.895) 7.252 12.247 ( -4.345 -9.075 0.066) 10.062 13.868 ( 13.342 27.240 7.867) 31.336 15.081 ( -3.695 7.497 -12.579) 15.103 15.645 ( 1.933 -0.864 -5.436) 5.834 16.192 ( 2.440 -19.691 -2.514) 20.000 ======================= Grid point 26 (20/172) ======================= q-point: ( 0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( 5.841 4.512 5.391) 9.140 1.406 ( 5.533 6.492 4.440) 9.616 1.757 ( -4.326 -1.383 -0.993) 4.649 2.083 ( -3.740 -8.000 0.722) 8.861 2.434 ( -5.315 1.012 -5.720) 7.874 2.582 ( 1.867 2.498 -3.150) 4.433 3.128 ( 8.513 9.452 -4.580) 13.520 3.640 ( 8.277 -9.522 -9.749) 15.945 3.923 ( -0.569 -23.099 4.373) 23.516 4.518 ( -3.991 -0.686 4.041) 5.721 4.981 ( -5.955 0.952 -3.397) 6.922 5.175 ( 1.917 2.851 5.941) 6.863 5.655 ( -2.662 -4.624 -0.350) 5.347 5.925 ( -5.634 1.625 9.556) 11.212 6.328 ( -11.334 3.133 -11.633) 16.541 6.580 ( 9.614 -1.192 -14.160) 17.156 6.831 ( -6.425 13.707 4.001) 15.658 7.203 ( 2.177 14.429 -8.066) 16.674 8.067 ( -8.583 0.532 20.699) 22.414 8.298 ( 15.765 -31.374 -0.397) 35.115 8.987 ( 1.460 -10.591 -2.585) 10.999 9.921 ( -4.863 13.458 -6.988) 15.924 10.372 ( 5.130 6.482 4.566) 9.444 10.962 ( 6.226 -8.116 3.064) 10.678 11.366 ( 1.726 -5.191 -2.645) 6.076 12.043 ( -7.625 -12.217 1.478) 14.477 14.314 ( 6.139 22.950 2.859) 23.929 15.004 ( -4.733 2.268 -0.209) 5.253 15.637 ( 4.081 -0.489 -8.189) 9.163 16.061 ( 5.226 -15.695 -3.989) 17.017 ======================= Grid point 27 (21/172) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( -6.796 -0.847 0.784) 6.893 1.525 ( 0.012 2.940 -2.044) 3.580 1.798 ( 7.074 2.261 2.030) 7.699 1.993 ( -1.872 -1.273 2.382) 3.286 2.364 ( 0.311 1.770 0.131) 1.802 2.695 ( 6.285 7.351 2.147) 9.907 3.320 ( 10.431 4.289 -8.206) 13.948 3.527 ( -3.776 -8.923 -10.140) 14.025 3.814 ( 8.211 -17.766 6.631) 20.665 4.445 ( -7.321 -0.211 4.693) 8.698 4.903 ( -0.884 1.907 -6.322) 6.662 5.240 ( -2.503 0.314 5.711) 6.244 5.583 ( -0.519 -0.950 -2.840) 3.039 5.859 ( -11.331 2.616 1.147) 11.685 6.184 ( -3.747 8.134 -0.725) 8.985 6.706 ( 10.439 5.947 -7.712) 14.277 6.932 ( 1.241 10.260 3.842) 11.026 7.355 ( 3.149 19.421 -5.991) 20.567 8.069 ( -3.082 -11.184 12.293) 16.903 8.222 ( 6.462 -22.359 6.725) 24.226 8.856 ( -1.698 -10.293 -5.360) 11.729 9.903 ( -6.713 10.175 -3.687) 12.736 10.487 ( -1.879 6.160 4.173) 7.674 10.974 ( 5.892 -8.805 -6.594) 12.480 11.418 ( 11.063 -6.317 -0.625) 12.754 11.866 ( -0.963 -9.598 2.632) 9.999 14.405 ( -15.159 9.925 -1.725) 18.201 15.058 ( 4.568 4.128 9.081) 10.971 15.676 ( 6.968 3.163 -8.786) 11.651 16.026 ( 8.531 -11.295 -2.979) 14.465 ======================= Grid point 28 (22/172) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( -11.857 -3.316 -1.847) 12.450 1.375 ( -13.692 -0.517 -7.703) 15.718 1.978 ( 14.152 -1.887 -1.723) 14.381 2.054 ( 4.636 3.842 2.020) 6.351 2.522 ( 9.820 6.003 6.358) 13.149 2.872 ( -2.060 8.365 5.254) 10.090 3.316 ( 0.415 -9.443 -3.391) 10.042 3.376 ( 3.607 -3.123 -10.796) 11.803 3.932 ( 15.707 -8.404 4.264) 18.317 4.407 ( -0.302 2.429 4.129) 4.800 4.896 ( 1.439 3.772 -6.194) 7.393 5.167 ( -7.055 -3.121 2.616) 8.146 5.579 ( 0.307 1.027 -0.370) 1.134 5.728 ( -5.224 3.381 -2.601) 6.744 6.285 ( 2.062 6.104 7.408) 9.818 6.806 ( -0.246 -0.721 0.825) 1.124 7.129 ( 9.912 13.073 -3.893) 16.862 7.604 ( 8.663 19.922 -2.326) 21.848 7.900 ( -3.593 -18.634 3.786) 19.351 8.187 ( 3.061 -13.519 1.276) 13.920 8.734 ( -1.559 -3.934 2.392) 4.860 9.848 ( -9.337 8.033 1.393) 12.396 10.504 ( -5.415 5.790 4.720) 9.226 10.896 ( 4.370 -10.822 -15.336) 19.272 11.487 ( 4.153 -5.262 -0.597) 6.730 11.936 ( 13.074 -3.598 3.977) 14.131 14.098 ( -26.253 1.516 0.237) 26.298 15.247 ( 6.144 3.182 5.951) 9.126 15.809 ( 8.493 6.722 -2.816) 11.192 16.059 ( 8.772 -8.426 -3.574) 12.677 ======================= Grid point 29 (23/172) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( -14.163 -0.765 -3.986) 14.734 1.076 ( -17.209 2.446 -5.669) 18.283 2.122 ( 3.366 -1.716 -1.588) 4.099 2.234 ( 14.835 0.244 0.041) 14.837 2.694 ( -9.292 1.469 -1.208) 9.485 2.809 ( 5.215 1.047 3.731) 6.497 3.283 ( 1.374 -5.957 -10.131) 11.833 3.442 ( 10.203 3.757 5.761) 12.305 4.179 ( 18.198 -4.256 3.427) 19.000 4.552 ( 7.778 5.752 3.688) 10.353 4.930 ( 3.390 3.768 -2.370) 5.596 5.058 ( -2.663 -1.492 -1.040) 3.225 5.619 ( 4.041 1.568 1.370) 4.546 5.703 ( 1.557 -1.584 -1.410) 2.631 6.387 ( 1.080 -5.384 9.845) 11.272 6.751 ( -1.259 -3.669 0.504) 3.912 7.367 ( 8.290 6.746 -5.159) 11.868 7.634 ( 1.313 -19.176 -1.877) 19.313 7.919 ( -0.496 3.418 -3.910) 5.217 8.212 ( 14.329 13.834 -3.571) 20.235 8.773 ( -0.177 2.743 10.806) 11.150 9.788 ( -9.647 6.215 8.011) 13.995 10.491 ( -6.737 1.980 -0.366) 7.032 10.720 ( 2.057 -8.696 -13.601) 16.274 11.499 ( 1.723 1.201 -1.482) 2.570 12.156 ( 12.015 -3.064 3.921) 13.004 13.645 ( -31.016 0.515 0.946) 31.035 15.373 ( 5.299 -0.660 0.855) 5.408 15.973 ( 8.592 -4.865 -5.264) 11.190 16.119 ( 4.985 5.498 3.436) 8.178 ======================= Grid point 30 (24/172) ======================= q-point: (-0.10 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.641 ( -14.166 7.937 -0.179) 16.239 0.818 ( -16.800 4.731 1.291) 17.501 1.941 ( -24.966 3.414 1.306) 25.232 2.488 ( 17.050 -1.612 -0.597) 17.136 2.610 ( 6.206 -3.826 -3.735) 8.191 2.948 ( 7.400 -1.154 -2.286) 7.831 3.187 ( 3.036 -5.386 -11.479) 13.039 3.660 ( 2.832 7.112 9.321) 12.062 4.434 ( 11.802 -1.724 1.845) 12.069 4.657 ( -0.653 4.104 2.539) 4.869 5.015 ( 0.090 -0.197 -6.014) 6.018 5.124 ( 12.153 -0.791 4.142) 12.863 5.725 ( 7.339 -5.639 -1.637) 9.399 5.824 ( 16.329 8.176 2.226) 18.396 6.347 ( 3.569 -19.685 6.733) 21.109 6.777 ( 5.283 0.802 2.251) 5.798 7.315 ( -0.956 -18.158 3.543) 18.525 7.592 ( -0.120 5.138 -12.937) 13.921 7.848 ( 9.634 -7.953 -11.390) 16.906 8.664 ( 10.011 30.460 -1.991) 32.125 8.869 ( 0.866 -4.340 14.936) 15.578 9.750 ( -7.222 -6.995 9.046) 13.525 10.186 ( -11.669 -6.366 -15.646) 20.530 10.808 ( 6.140 9.353 8.673) 14.156 11.562 ( 1.389 10.969 -3.527) 11.606 12.248 ( 2.291 -10.322 4.032) 11.316 13.176 ( -30.290 6.494 1.316) 31.006 15.415 ( 4.138 -3.665 -5.486) 7.788 15.896 ( 0.823 -6.988 -15.885) 17.374 16.361 ( 6.250 7.936 14.295) 17.504 ======================= Grid point 32 (25/172) ======================= q-point: ( 0.10 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.916 ( -5.687 7.546 11.294) 14.726 1.095 ( -7.657 12.825 13.027) 19.820 1.918 ( -16.672 17.938 0.683) 24.499 2.385 ( 7.915 -9.181 -7.724) 14.373 2.685 ( 9.159 -6.836 -1.203) 11.492 2.714 ( 9.684 -5.480 -7.469) 13.401 3.090 ( 4.114 2.582 -10.447) 11.521 3.784 ( -10.207 -4.689 -0.295) 11.237 4.445 ( -1.085 -19.146 -3.915) 19.573 4.523 ( -2.839 1.008 1.943) 3.585 5.103 ( 6.691 -7.938 2.890) 10.777 5.135 ( 8.158 -0.196 5.572) 9.882 5.687 ( 11.649 -5.195 0.944) 12.790 5.846 ( 3.190 -6.445 4.583) 8.528 6.332 ( 7.913 -8.843 -2.251) 12.078 6.664 ( -5.887 -4.698 -9.280) 11.952 7.078 ( -1.947 16.084 -22.983) 28.120 7.688 ( 10.308 -2.195 11.602) 15.674 8.075 ( 23.964 3.684 2.436) 24.368 8.467 ( -16.979 -23.183 -9.597) 30.296 8.908 ( 0.383 -14.774 18.548) 23.716 9.375 ( -3.207 16.770 -2.006) 17.192 10.174 ( -5.625 5.615 -9.238) 12.187 11.407 ( 1.313 -3.467 16.917) 17.318 11.536 ( -4.748 -3.590 0.014) 5.953 12.204 ( 5.280 -3.206 -1.815) 6.438 13.284 ( -17.521 22.251 8.322) 29.519 15.074 ( 2.363 7.686 -23.427) 24.769 15.744 ( -2.590 5.037 -4.200) 7.051 16.530 ( 0.798 -14.266 4.306) 14.923 ======================= Grid point 33 (26/172) ======================= q-point: ( 0.20 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.991 ( -4.988 9.769 10.609) 15.260 1.150 ( -10.860 7.439 15.203) 20.110 1.936 ( -4.148 22.331 0.300) 22.715 2.368 ( 6.586 -10.904 -6.636) 14.364 2.626 ( 3.469 -3.886 -14.102) 15.033 2.815 ( 5.109 -7.647 2.310) 9.482 3.075 ( 1.810 0.006 -14.961) 15.070 3.517 ( -10.481 -7.911 -3.617) 13.621 4.220 ( -0.044 -21.279 -1.468) 21.329 4.537 ( -0.721 3.230 3.238) 4.630 5.068 ( 4.026 -14.454 -1.843) 15.117 5.348 ( 5.577 4.548 6.716) 9.844 5.748 ( 4.230 -10.163 0.002) 11.008 5.962 ( 7.058 -4.852 6.190) 10.568 6.116 ( -4.801 -7.262 -7.826) 11.706 6.627 ( 4.368 -5.745 4.206) 8.353 7.083 ( 1.972 14.610 -22.509) 26.907 7.517 ( -19.450 -20.711 7.329) 29.342 8.156 ( -0.657 -9.919 0.646) 9.962 8.426 ( 15.776 -9.206 -0.871) 18.286 9.120 ( 15.061 5.528 10.848) 19.367 9.410 ( -4.175 8.468 -4.243) 10.351 10.031 ( -8.963 10.298 -12.232) 18.330 11.253 ( -10.091 -10.835 14.883) 20.994 11.751 ( 16.666 1.106 1.983) 16.820 12.129 ( -5.588 -7.779 -0.972) 9.627 13.366 ( -9.294 27.235 10.384) 30.593 15.056 ( 3.279 12.575 -24.185) 27.455 15.708 ( -3.011 3.832 -5.556) 7.390 16.378 ( -1.975 -20.468 3.844) 20.920 ======================= Grid point 34 (27/172) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( -11.892 12.283 10.827) 20.236 1.167 ( -3.184 5.489 13.108) 14.563 2.072 ( 0.740 3.925 -3.168) 5.098 2.292 ( 0.866 -8.556 -5.872) 10.413 2.580 ( 2.130 7.021 -17.618) 19.084 2.739 ( -4.499 -8.891 2.421) 10.254 2.960 ( -1.412 -1.439 -10.211) 10.409 3.359 ( 3.406 -7.603 -6.298) 10.444 4.041 ( 1.372 -19.816 1.454) 19.917 4.595 ( -0.575 5.369 4.048) 6.748 4.933 ( -0.149 -15.716 -0.735) 15.734 5.427 ( -4.287 2.341 0.864) 4.961 5.664 ( 3.609 -11.986 1.748) 12.639 6.000 ( 14.101 -17.124 -5.671) 22.896 6.140 ( -0.536 5.339 5.828) 7.922 6.683 ( 2.456 -4.862 6.426) 8.424 7.046 ( 2.358 0.877 -24.856) 24.983 7.147 ( -11.911 -5.514 11.113) 17.198 7.977 ( -3.531 -16.179 -1.100) 16.596 8.610 ( 17.007 -10.334 -0.820) 19.918 9.067 ( -27.569 13.129 -1.581) 30.577 9.655 ( 20.982 1.592 3.844) 21.391 9.992 ( -3.284 16.272 -8.483) 18.642 11.118 ( -7.222 -11.374 13.540) 19.101 11.860 ( -8.185 -3.714 -2.753) 9.400 12.081 ( 10.891 -0.850 0.438) 10.932 13.615 ( -0.239 27.501 11.089) 29.654 15.065 ( 3.270 10.125 -21.048) 23.584 15.645 ( -1.961 -0.676 -5.445) 5.827 16.171 ( -1.493 -21.601 1.995) 21.744 ======================= Grid point 35 (28/172) ======================= q-point: ( 0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( -1.890 11.724 11.912) 16.820 1.295 ( 1.667 7.977 7.763) 11.255 1.958 ( -5.351 -5.443 -6.861) 10.263 2.171 ( -2.308 -8.384 -2.561) 9.065 2.510 ( 0.120 -2.368 -10.116) 10.390 2.661 ( -5.391 4.375 -4.480) 8.263 2.930 ( 4.725 -0.226 -4.065) 6.237 3.343 ( 8.265 -7.259 -7.956) 13.576 3.909 ( 1.441 -17.395 2.921) 17.697 4.628 ( -4.617 4.030 3.614) 7.115 4.887 ( 8.361 -8.906 4.677) 13.081 5.320 ( -7.092 -1.055 -2.555) 7.612 5.660 ( 2.329 -5.748 1.022) 6.286 6.001 ( 7.492 -11.376 -3.324) 14.021 6.173 ( 3.928 -7.547 -3.088) 9.051 6.657 ( -4.906 2.564 2.121) 5.928 6.978 ( 3.535 1.234 -13.921) 14.416 7.153 ( 1.052 5.125 12.366) 13.427 7.801 ( 4.378 -19.150 -3.185) 19.901 8.572 ( -8.245 -10.397 -10.623) 16.998 8.878 ( -8.215 10.880 10.166) 17.006 9.958 ( 9.549 2.992 -0.750) 10.035 10.097 ( 4.251 16.593 -2.295) 17.282 10.979 ( -5.563 -13.222 10.316) 17.669 11.641 ( -13.823 0.723 -1.527) 13.926 12.171 ( 3.048 -6.830 -1.874) 7.711 14.005 ( 8.018 26.892 9.348) 29.578 15.060 ( 2.150 6.086 -15.495) 16.786 15.564 ( 0.170 -6.157 -4.931) 7.890 15.974 ( 0.020 -18.256 -0.752) 18.272 ======================= Grid point 36 (29/172) ======================= q-point: ( 0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( 3.364 8.637 8.759) 12.753 1.453 ( 2.615 10.436 1.974) 10.938 1.816 ( -4.430 -1.396 0.197) 4.649 2.050 ( -1.497 -8.236 -0.219) 8.374 2.451 ( 0.191 -1.168 -5.098) 5.233 2.567 ( -3.147 1.888 -5.308) 6.453 2.996 ( 7.836 -3.206 -4.432) 9.556 3.376 ( 8.981 -3.834 -7.360) 12.228 3.798 ( -0.836 -12.196 2.747) 12.529 4.618 ( -3.475 2.244 5.580) 6.946 4.971 ( 2.675 -7.211 1.445) 7.826 5.218 ( -0.897 3.159 -1.455) 3.592 5.619 ( -0.970 -4.529 -2.297) 5.170 6.016 ( -0.366 -4.753 9.440) 10.575 6.138 ( 11.096 -5.501 -17.748) 21.642 6.639 ( -5.576 9.617 -0.730) 11.141 6.977 ( 0.056 4.837 -1.181) 4.979 7.363 ( 2.244 15.518 6.914) 17.136 7.718 ( 13.092 -24.616 -3.597) 28.111 8.279 ( -9.392 -9.893 1.845) 13.766 8.915 ( -3.016 2.606 2.399) 4.652 10.034 ( -0.521 7.658 -5.203) 9.273 10.357 ( 8.282 10.762 4.085) 14.181 10.854 ( -0.723 -13.030 4.617) 13.842 11.427 ( -11.893 1.684 -2.355) 12.240 12.042 ( -5.770 -11.937 -0.229) 13.260 14.446 ( 8.822 25.445 5.059) 27.402 15.042 ( 0.091 0.017 -3.895) 3.896 15.467 ( 3.648 -10.445 -8.875) 14.183 15.851 ( 2.389 -9.892 -1.230) 10.251 ======================= Grid point 37 (30/172) ======================= q-point: (-0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( -3.389 -0.294 5.550) 6.510 1.557 ( -0.454 8.318 -4.332) 9.389 1.787 ( -1.513 1.185 1.929) 2.723 2.001 ( 1.413 -2.742 2.982) 4.291 2.389 ( -2.165 0.441 -0.790) 2.347 2.627 ( 9.237 4.530 -0.309) 10.292 3.033 ( 8.134 -9.485 -7.330) 14.487 3.477 ( 10.640 0.044 -3.429) 11.179 3.680 ( -6.000 -5.091 1.156) 7.953 4.617 ( -5.977 1.615 8.551) 10.557 4.864 ( -1.484 -4.724 -7.467) 8.960 5.297 ( 0.678 2.434 4.100) 4.816 5.545 ( 0.198 -1.379 -4.481) 4.692 5.969 ( -4.162 -7.537 3.584) 9.326 6.208 ( 7.484 4.106 -8.007) 11.704 6.678 ( -1.059 13.621 -0.675) 13.679 7.057 ( 0.675 7.367 4.943) 8.897 7.509 ( -5.198 17.047 -3.698) 18.202 7.731 ( 16.399 -20.608 -1.237) 26.366 8.134 ( 0.708 -16.626 9.070) 18.953 8.854 ( -5.898 1.421 -1.397) 6.225 10.044 ( -2.914 6.806 -2.846) 7.931 10.570 ( 3.466 6.977 4.711) 9.104 10.773 ( 2.482 -10.251 -3.023) 10.972 11.308 ( -2.337 2.541 -1.020) 3.600 11.830 ( -4.988 -11.555 0.560) 12.598 14.712 ( -7.862 17.513 -2.118) 19.313 15.033 ( 4.274 -6.896 9.129) 12.213 15.436 ( 12.319 -5.764 -10.942) 17.456 15.850 ( 4.264 -1.886 -0.019) 4.662 ======================= Grid point 38 (31/172) ======================= q-point: (-0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( -10.846 -3.860 2.538) 11.789 1.523 ( -7.585 4.657 -6.473) 11.006 1.795 ( 3.803 -1.590 -1.375) 4.345 2.024 ( 2.109 -1.037 -0.370) 2.379 2.478 ( 6.750 4.413 5.255) 9.626 2.900 ( 16.426 2.157 1.519) 16.636 2.979 ( 1.643 -4.191 -5.041) 6.758 3.519 ( -7.843 -6.994 2.791) 10.873 3.665 ( 11.246 4.998 -2.374) 12.534 4.555 ( -8.070 2.002 6.118) 10.323 4.820 ( 3.923 -0.297 -5.406) 6.686 5.259 ( -5.876 -3.599 2.195) 7.232 5.572 ( 1.977 2.635 -0.012) 3.294 5.812 ( -7.174 -4.969 -1.887) 8.928 6.318 ( 4.258 2.616 1.622) 5.254 6.803 ( 3.077 4.063 -0.870) 5.171 7.151 ( -1.164 6.420 5.867) 8.774 7.517 ( 2.633 -7.946 -2.631) 8.775 7.852 ( 8.743 13.074 -2.158) 15.876 8.019 ( -0.358 -17.877 -2.724) 18.087 8.816 ( -2.392 5.766 3.719) 7.266 10.033 ( -4.627 4.514 1.806) 6.712 10.635 ( 3.665 -9.740 -6.936) 12.507 10.693 ( -5.730 5.942 2.653) 8.671 11.379 ( 5.439 3.916 -1.139) 6.798 11.751 ( 6.239 -5.585 1.674) 8.539 14.513 ( -21.878 0.656 2.159) 21.994 15.149 ( 8.795 -2.533 -1.608) 9.292 15.592 ( 14.337 -3.158 -0.612) 14.694 15.942 ( 5.264 5.221 0.417) 7.426 ======================= Grid point 39 (32/172) ======================= q-point: (-0.20 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( -12.049 0.686 1.425) 12.152 1.343 ( -14.598 6.077 -4.148) 16.347 1.880 ( 11.852 -3.813 -3.585) 12.956 2.085 ( 7.413 -1.163 -0.196) 7.506 2.647 ( 8.823 -1.385 -0.049) 8.931 2.824 ( -2.062 -7.751 -9.528) 12.454 3.180 ( -2.981 1.783 2.625) 4.354 3.463 ( 5.601 8.289 8.907) 13.394 3.901 ( 15.581 0.301 2.773) 15.829 4.561 ( 1.208 6.801 2.928) 7.503 4.873 ( 5.126 0.301 -2.080) 5.540 5.115 ( -7.659 -4.700 0.135) 8.987 5.615 ( 0.594 1.995 2.256) 3.069 5.661 ( -3.550 -7.243 -0.940) 8.121 6.359 ( 0.337 -10.851 5.555) 12.195 6.777 ( -3.344 -1.615 -1.812) 4.132 7.263 ( 4.322 -3.790 5.938) 8.265 7.445 ( 4.302 -4.398 -3.847) 7.256 7.768 ( -2.528 -12.639 -16.236) 20.731 8.245 ( 13.137 25.961 2.648) 29.216 8.905 ( -0.602 8.231 6.509) 10.511 9.994 ( -6.405 -0.670 6.032) 8.824 10.448 ( -3.749 -10.795 -13.071) 17.361 10.743 ( -2.662 10.038 7.064) 12.560 11.477 ( 3.422 7.242 -3.550) 8.761 11.931 ( 14.489 -1.990 3.612) 15.064 14.132 ( -26.782 -1.010 3.181) 26.989 15.221 ( 8.198 -5.915 -5.753) 11.632 15.741 ( 8.267 -5.863 0.765) 10.164 16.129 ( 7.551 10.197 2.771) 12.988 ======================= Grid point 40 (33/172) ======================= q-point: (-0.10 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( -11.331 6.835 4.690) 14.040 1.157 ( -15.713 9.327 1.802) 18.362 2.019 ( 11.357 -4.441 -4.481) 12.992 2.238 ( 12.613 -0.209 0.293) 12.618 2.620 ( -10.435 -2.132 -6.289) 12.369 2.727 ( 9.240 -7.782 -5.897) 13.443 3.085 ( -2.755 0.007 -3.564) 4.504 3.743 ( 4.469 9.066 9.990) 14.212 4.219 ( 17.697 0.717 7.935) 19.408 4.710 ( 3.164 8.920 -3.425) 10.065 4.944 ( 0.911 -5.443 2.698) 6.143 4.984 ( 4.660 -2.210 -2.495) 5.729 5.543 ( 1.338 -12.356 0.396) 12.435 5.721 ( 7.949 6.261 3.027) 10.562 6.187 ( -4.138 -24.239 5.529) 25.204 6.747 ( 1.965 2.905 -3.268) 4.794 7.244 ( -0.454 -13.063 14.513) 19.532 7.512 ( -2.246 -5.066 -22.930) 23.590 7.579 ( 10.735 8.189 -11.087) 17.470 8.686 ( 12.509 12.897 7.882) 19.620 9.001 ( -2.871 9.425 4.623) 10.883 9.821 ( -11.984 -16.693 0.192) 20.550 10.227 ( -5.932 1.654 -6.101) 8.668 10.901 ( 2.997 11.536 9.385) 15.170 11.610 ( 4.077 14.324 -4.619) 15.593 12.110 ( 7.579 -7.194 4.223) 11.271 13.716 ( -28.049 3.756 3.676) 28.537 15.221 ( 6.367 -8.245 -9.797) 14.300 15.773 ( 2.163 -2.499 -2.039) 3.884 16.368 ( 8.159 6.037 5.154) 11.383 ======================= Grid point 42 (34/172) ======================= q-point: ( 0.10 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( -4.207 6.053 7.590) 10.581 1.411 ( -8.108 10.189 8.646) 15.630 1.957 ( 11.057 -3.769 -8.142) 14.240 2.253 ( 2.535 -11.277 -0.698) 11.580 2.445 ( 6.025 -5.795 -7.882) 11.490 2.594 ( 3.278 10.117 -1.077) 10.689 3.058 ( -4.396 7.143 -7.329) 11.138 3.858 ( -7.590 -6.821 -4.134) 11.011 4.206 ( 1.157 -26.136 1.053) 26.183 4.583 ( -1.494 -5.713 5.644) 8.169 4.924 ( 2.316 -5.027 -1.235) 5.671 5.093 ( 8.306 7.190 3.435) 11.510 5.543 ( 8.174 4.644 2.304) 9.679 5.813 ( 1.478 -3.018 7.038) 7.799 6.130 ( 9.743 0.001 -1.222) 9.819 6.647 ( -3.947 -1.450 -12.093) 12.804 7.109 ( -1.497 13.631 -16.608) 21.538 7.549 ( 12.446 -4.178 15.831) 20.567 7.749 ( 18.699 6.432 -9.088) 21.763 8.504 ( -18.607 -28.118 4.357) 33.998 8.983 ( -8.868 -7.832 10.385) 15.743 9.585 ( -2.880 17.026 0.050) 17.268 10.252 ( -3.994 4.666 -5.068) 7.963 11.343 ( 8.593 -0.663 3.815) 9.425 11.648 ( -9.945 -8.963 3.184) 13.761 12.039 ( 5.382 -8.493 -2.490) 10.359 13.803 ( -15.377 19.516 8.278) 26.189 14.938 ( 4.678 4.095 -15.020) 16.256 15.776 ( -0.700 1.965 -3.637) 4.193 16.405 ( 0.719 -12.236 0.121) 12.258 ======================= Grid point 43 (35/172) ======================= q-point: ( 0.20 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( -2.479 8.529 8.308) 12.162 1.461 ( -6.655 9.373 10.899) 15.841 2.028 ( 7.925 -2.115 -8.813) 12.040 2.156 ( 0.437 -8.315 -3.497) 9.031 2.437 ( 4.792 -1.071 -9.206) 10.433 2.732 ( 4.290 3.600 -0.003) 5.600 2.993 ( -3.207 3.820 -9.514) 10.742 3.540 ( -10.070 -13.197 -12.281) 20.649 4.029 ( -0.042 -21.733 7.353) 22.943 4.555 ( 0.815 -6.861 6.967) 9.813 4.911 ( 1.405 -0.639 -4.557) 4.812 5.305 ( 8.400 1.976 7.030) 11.130 5.666 ( 1.464 -0.892 1.460) 2.252 5.863 ( 0.353 -8.944 2.954) 9.426 6.164 ( -1.662 4.058 -2.141) 4.880 6.542 ( 2.598 1.674 -4.435) 5.406 7.079 ( -4.542 10.998 -15.309) 19.390 7.648 ( -9.142 -14.345 4.145) 17.508 8.040 ( 3.367 -12.657 -1.578) 13.192 8.099 ( 12.419 -5.656 3.313) 14.042 8.972 ( 7.725 -1.740 11.096) 13.632 9.662 ( -7.957 16.224 -1.091) 18.103 10.170 ( -6.622 7.914 -8.121) 13.131 11.387 ( -6.602 -15.399 11.131) 20.115 11.545 ( 8.534 2.313 -1.919) 9.048 12.002 ( 5.459 -13.018 -2.871) 14.406 13.852 ( -12.027 23.904 10.429) 28.720 14.955 ( 3.490 8.553 -17.173) 19.500 15.729 ( -2.191 -0.074 -6.889) 7.230 16.248 ( -2.339 -18.271 0.948) 18.445 ======================= Grid point 44 (36/172) ======================= q-point: ( 0.30 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( -2.130 9.957 6.459) 12.058 1.458 ( -12.733 7.003 11.097) 18.284 2.018 ( 1.390 -5.228 -7.313) 9.096 2.107 ( 6.073 -6.703 -6.913) 11.384 2.472 ( 4.838 2.336 -7.934) 9.581 2.757 ( -0.781 -3.322 -1.454) 3.710 2.900 ( -3.130 0.788 -9.023) 9.583 3.232 ( -3.258 -7.699 -11.525) 14.238 3.890 ( -0.870 -17.354 7.328) 18.858 4.594 ( 4.779 -5.322 8.438) 11.061 4.868 ( -2.931 0.146 -4.909) 5.719 5.473 ( 1.820 0.786 2.187) 2.952 5.539 ( -3.003 -12.407 1.381) 12.840 5.746 ( -0.167 -9.058 0.596) 9.079 6.247 ( 0.734 7.834 0.499) 7.884 6.629 ( 5.374 1.164 -2.203) 5.923 6.890 ( -8.208 -12.788 -4.025) 15.720 7.360 ( -10.357 2.260 1.958) 10.780 7.947 ( -5.477 -11.261 -0.442) 12.530 8.240 ( 13.871 -8.226 -4.738) 16.809 9.323 ( 21.982 2.607 6.297) 23.015 9.581 ( -17.123 13.961 -2.157) 22.199 10.140 ( -3.381 14.192 -5.619) 15.634 11.193 ( -7.274 -16.494 10.114) 20.670 11.737 ( 11.834 2.375 -4.327) 12.822 11.962 ( 4.741 -9.072 0.100) 10.237 13.993 ( -7.039 24.017 11.464) 27.528 14.969 ( 2.489 8.768 -17.228) 19.490 15.611 ( -2.592 -6.570 -6.954) 9.912 16.036 ( -3.188 -17.848 1.071) 18.162 ======================= Grid point 45 (37/172) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( -7.170 3.025 10.423) 13.008 1.407 ( -4.050 15.533 2.897) 16.311 1.920 ( -0.870 -5.985 -4.883) 7.773 2.077 ( 1.903 -6.119 -5.042) 8.154 2.435 ( -1.914 -4.743 -4.389) 6.740 2.723 ( 1.282 -0.101 -4.767) 4.938 2.797 ( 0.153 -3.919 -6.274) 7.399 3.152 ( 3.769 -0.577 -7.700) 8.592 3.785 ( -0.007 -12.443 5.023) 13.419 4.717 ( 8.016 -3.100 7.451) 11.375 4.777 ( -6.028 2.037 0.115) 6.364 5.318 ( -2.452 -7.305 -5.736) 9.606 5.605 ( 2.955 -1.438 3.911) 5.109 5.675 ( 5.029 -9.534 -3.944) 11.478 6.231 ( -8.326 -4.871 7.459) 12.193 6.571 ( 6.570 -3.707 -21.039) 22.350 6.829 ( 4.943 -9.319 14.118) 17.623 7.349 ( -6.522 15.255 4.385) 17.160 7.739 ( -7.063 -6.865 0.670) 9.872 8.284 ( 9.566 -12.002 -12.848) 20.015 9.381 ( -21.035 13.508 4.802) 25.456 9.720 ( 19.199 -0.119 1.173) 19.235 10.234 ( -0.408 18.930 -3.195) 19.202 10.981 ( -5.796 -19.002 6.988) 21.059 11.785 ( -3.623 -0.578 -1.896) 4.130 12.027 ( 7.288 -2.786 -1.311) 7.911 14.234 ( 0.780 22.981 10.877) 25.437 14.960 ( 2.035 5.977 -16.240) 17.424 15.448 ( -0.856 -14.626 -3.030) 14.961 15.856 ( -2.226 -10.925 -0.594) 11.166 ======================= Grid point 46 (38/172) ======================= q-point: ( 0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( -1.288 4.286 8.293) 9.424 1.540 ( 0.584 15.963 -0.921) 16.001 1.846 ( -0.016 -4.697 1.735) 5.007 1.996 ( -1.815 -6.324 -0.421) 6.593 2.378 ( 2.482 -1.337 -2.641) 3.863 2.622 ( -6.370 0.030 -7.119) 9.553 2.803 ( 6.624 -5.527 -2.304) 8.930 3.187 ( 6.351 -2.366 -3.019) 7.419 3.737 ( 1.149 -4.111 0.978) 4.379 4.737 ( -3.489 3.556 3.401) 6.032 4.846 ( 5.292 -5.607 2.425) 8.082 5.201 ( 0.189 -2.074 -3.766) 4.304 5.608 ( -1.852 -1.561 -0.560) 2.486 5.749 ( 15.523 -2.301 -8.983) 18.082 6.103 ( -6.217 -6.331 11.186) 14.277 6.603 ( 12.251 5.193 -17.600) 22.063 6.893 ( 5.332 -14.426 10.557) 18.654 7.436 ( -4.702 13.313 4.890) 14.941 7.665 ( -2.378 3.594 6.534) 7.827 8.157 ( 2.100 -14.116 -13.774) 19.834 9.214 ( -18.352 10.355 5.241) 21.714 9.945 ( 11.112 -3.036 -1.505) 11.617 10.428 ( 2.769 17.901 1.178) 18.153 10.774 ( -2.669 -16.005 2.963) 16.494 11.654 ( -11.890 3.108 -1.003) 12.330 12.011 ( -2.709 -7.969 -0.965) 8.472 14.570 ( 7.142 19.931 7.488) 22.458 14.947 ( 4.952 0.468 -10.514) 11.631 15.274 ( -1.263 -16.052 -1.623) 16.183 15.774 ( 0.456 -2.579 -0.603) 2.688 ======================= Grid point 47 (39/172) ======================= q-point: (-0.40 -0.60 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( -0.964 -0.535 5.767) 5.872 1.637 ( -3.191 8.766 -2.404) 9.634 1.857 ( -2.121 1.168 2.216) 3.282 1.935 ( 3.298 -4.863 0.956) 5.953 2.436 ( -1.007 3.229 2.913) 4.464 2.513 ( 4.073 0.656 -5.110) 6.567 2.843 ( 5.002 -2.527 -1.549) 5.814 3.263 ( 8.709 -8.812 4.440) 13.161 3.748 ( -0.330 6.776 -5.108) 8.492 4.757 ( -2.633 -0.728 7.518) 7.999 4.771 ( -0.994 -5.014 -7.311) 8.921 5.308 ( 6.816 7.271 1.951) 10.156 5.521 ( -3.731 -1.612 -4.320) 5.931 5.882 ( 7.728 -2.944 -9.710) 12.754 6.109 ( 2.278 -0.528 11.362) 11.600 6.783 ( 2.180 11.374 -6.971) 13.517 6.929 ( 18.733 -13.567 2.697) 23.287 7.485 ( -3.672 4.430 5.280) 7.810 7.766 ( -3.265 14.525 2.439) 15.086 7.965 ( 1.676 -16.522 -4.449) 17.192 9.041 ( -13.898 4.393 1.198) 14.625 10.035 ( 5.596 -2.463 -1.677) 6.340 10.531 ( 1.892 -11.297 2.335) 11.690 10.750 ( 1.118 14.204 0.420) 14.254 11.492 ( -12.265 7.164 0.236) 14.206 11.821 ( -7.243 -10.649 -1.031) 12.920 14.829 ( 8.997 3.501 -7.788) 12.404 14.975 ( -2.260 -9.652 6.048) 11.612 15.175 ( 6.339 2.772 1.281) 7.037 15.809 ( 2.979 3.847 0.126) 4.867 ======================= Grid point 49 (40/172) ======================= q-point: (-0.30 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( -8.028 -6.097 6.156) 11.812 1.606 ( -3.952 4.371 -3.980) 7.111 1.820 ( -4.431 4.209 -0.525) 6.134 1.949 ( 2.727 -4.335 -3.321) 6.104 2.446 ( 2.522 -0.554 0.298) 2.599 2.667 ( 7.740 -0.513 0.608) 7.781 2.965 ( 8.327 10.420 5.778) 14.537 3.346 ( 8.976 -16.455 10.541) 21.504 3.766 ( -3.707 15.682 -10.156) 19.048 4.635 ( -1.209 -3.494 -7.753) 8.590 4.800 ( -1.637 1.343 7.726) 8.011 5.329 ( -6.428 -2.924 -0.140) 7.063 5.565 ( 4.845 7.060 0.352) 8.570 5.829 ( -2.373 -4.441 -4.071) 6.475 6.236 ( 5.422 -0.891 2.952) 6.237 6.755 ( 1.973 -8.469 0.134) 8.697 7.231 ( 8.761 6.331 2.667) 11.133 7.461 ( -3.903 -4.275 5.946) 8.298 7.843 ( 5.671 13.963 -9.905) 18.035 7.859 ( -2.417 -7.307 0.210) 7.699 8.927 ( -4.071 4.819 -0.258) 6.314 10.071 ( 2.476 -3.544 1.046) 4.448 10.446 ( 2.399 -12.204 -2.474) 12.681 10.899 ( -3.947 15.317 3.787) 16.265 11.447 ( -4.681 12.070 1.159) 12.998 11.650 ( -0.340 -6.389 -1.672) 6.613 14.745 ( -6.505 -18.160 1.708) 19.366 14.923 ( 5.826 1.068 -8.670) 10.500 15.434 ( 9.100 5.508 10.836) 15.185 15.931 ( 4.699 8.938 -0.127) 10.099 ======================= Grid point 50 (41/172) ======================= q-point: (-0.20 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( -8.906 -3.122 4.445) 10.431 1.541 ( -5.715 4.702 -5.092) 8.983 1.778 ( -3.831 3.140 -0.923) 5.038 1.956 ( 5.321 -3.374 -0.742) 6.344 2.475 ( 5.302 -6.215 -2.935) 8.680 2.704 ( 2.048 -3.240 -2.906) 4.810 3.302 ( -0.801 1.008 10.717) 10.794 3.420 ( 15.632 2.841 10.584) 19.091 3.815 ( 0.779 13.997 -6.642) 15.513 4.583 ( 1.911 3.662 -7.927) 8.939 4.836 ( -0.317 -1.699 8.574) 8.747 5.181 ( -6.818 -5.155 -1.408) 8.662 5.633 ( -1.546 -4.117 4.232) 6.103 5.708 ( -5.972 1.350 -2.128) 6.482 6.255 ( 1.370 -10.046 -0.356) 10.146 6.729 ( 3.085 -7.169 -1.567) 7.960 7.267 ( -2.184 -12.188 14.651) 19.182 7.413 ( -3.236 6.526 -3.173) 7.945 7.634 ( -6.593 -7.259 -13.539) 16.717 8.227 ( 17.408 23.922 -3.279) 29.767 8.990 ( 2.788 7.810 0.606) 8.315 10.035 ( -1.451 -9.957 1.367) 10.155 10.356 ( -0.520 -5.768 -3.007) 6.526 10.964 ( -6.173 11.497 6.661) 14.651 11.513 ( -0.516 12.392 -3.385) 12.856 11.742 ( 11.388 2.916 2.329) 11.984 14.455 ( -14.216 -10.758 2.302) 17.976 14.957 ( 8.154 -6.820 -7.272) 12.880 15.644 ( 4.951 0.690 8.855) 10.168 16.117 ( 6.580 10.720 0.514) 12.589 ======================= Grid point 51 (42/172) ======================= q-point: (-0.10 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( -6.542 2.567 4.660) 8.433 1.462 ( -8.173 8.062 -1.019) 11.526 1.780 ( 4.485 -0.612 -2.655) 5.248 2.046 ( 9.423 -2.808 0.728) 9.859 2.466 ( 5.657 -7.877 -5.170) 10.990 2.653 ( -1.064 -3.987 -4.498) 6.104 3.210 ( -8.322 -0.230 2.020) 8.567 3.814 ( 5.347 9.699 8.429) 13.918 4.016 ( 16.104 7.405 5.419) 18.535 4.660 ( 7.069 8.333 -9.771) 14.658 4.881 ( 2.291 -4.500 9.300) 10.582 4.978 ( -8.937 -8.391 -3.085) 12.641 5.503 ( -5.594 -8.755 1.956) 10.572 5.704 ( 1.485 2.998 2.137) 3.970 6.107 ( -4.562 -15.192 2.994) 16.142 6.683 ( 1.717 -2.730 -6.440) 7.202 7.242 ( 1.980 -14.457 16.360) 21.922 7.363 ( -5.293 -5.909 -4.566) 9.153 7.492 ( 3.518 15.461 -20.631) 26.020 8.643 ( 11.319 11.653 2.793) 16.484 9.127 ( 2.329 10.582 0.935) 10.875 9.831 ( -8.500 -16.103 -1.885) 18.307 10.297 ( -2.692 0.862 0.026) 2.827 11.041 ( -1.514 9.298 6.940) 11.701 11.646 ( 3.918 14.181 -3.434) 15.108 11.957 ( 8.869 -0.447 2.786) 9.308 14.141 ( -18.824 -2.340 3.293) 19.253 14.957 ( 7.447 -9.037 -7.652) 13.988 15.739 ( 1.746 0.058 3.971) 4.339 16.316 ( 6.794 5.996 1.301) 9.155 ======================= Grid point 54 (43/172) ======================= q-point: ( 0.10 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( 0.137 2.896 0.542) 2.950 1.549 ( 3.175 -0.797 1.746) 3.710 1.798 ( -0.303 2.243 -0.953) 2.456 2.021 ( 6.231 -10.353 -1.679) 12.200 2.352 ( 0.271 2.022 0.346) 2.070 2.616 ( 2.026 5.192 -0.474) 5.593 3.219 ( -5.178 10.818 -6.160) 13.483 3.854 ( -8.172 -10.651 -8.584) 15.935 4.001 ( -1.713 -19.306 3.562) 19.707 4.581 ( -3.260 -8.895 8.679) 12.848 4.894 ( 0.066 2.615 -5.092) 5.725 5.035 ( 9.595 8.932 0.576) 13.122 5.514 ( 4.933 8.066 0.495) 9.468 5.771 ( 4.468 -3.297 1.515) 5.756 6.065 ( 2.145 5.266 2.159) 6.083 6.620 ( 0.358 4.831 -5.061) 7.006 7.160 ( -0.218 14.076 -9.659) 17.072 7.469 ( 4.173 -10.967 19.786) 23.004 7.495 ( 10.068 4.907 -11.415) 15.992 8.579 ( -13.843 -18.915 3.912) 23.763 9.113 ( -9.023 -8.544 3.723) 12.972 9.756 ( 1.918 16.100 1.372) 16.272 10.308 ( -1.433 2.598 -2.595) 3.942 11.203 ( 5.833 -5.212 -2.529) 8.221 11.691 ( -3.934 -10.237 2.144) 11.174 11.904 ( -2.680 -8.355 -2.144) 9.033 14.192 ( -4.476 14.181 4.547) 15.550 14.829 ( 2.657 3.955 -4.574) 6.605 15.759 ( -0.230 -0.288 -4.741) 4.755 16.313 ( -2.500 -8.845 -0.816) 9.227 ======================= Grid point 55 (44/172) ======================= q-point: ( 0.20 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.318 ( 2.337 7.082 2.247) 7.789 1.621 ( 3.549 1.884 2.078) 4.524 1.831 ( 2.243 2.300 -1.847) 3.705 1.990 ( 4.861 -12.288 -1.887) 13.349 2.375 ( -0.076 2.100 0.331) 2.127 2.685 ( 2.516 2.205 -2.647) 4.266 3.158 ( -11.275 13.578 -8.365) 19.531 3.445 ( -8.845 -17.258 -14.978) 24.503 3.920 ( 0.989 -17.050 11.276) 20.465 4.535 ( -0.702 -5.908 8.522) 10.393 4.887 ( 0.680 3.349 -7.122) 7.900 5.236 ( 7.510 3.190 4.071) 9.119 5.651 ( 2.845 3.735 -0.960) 4.792 5.800 ( 1.495 -6.838 1.883) 7.249 6.181 ( 2.698 5.825 1.157) 6.523 6.582 ( -5.257 8.684 -5.270) 11.438 7.203 ( -4.077 14.371 -8.978) 17.428 7.558 ( 6.538 -9.307 3.967) 12.046 7.753 ( 17.397 3.583 -3.624) 18.128 8.112 ( -17.762 -24.071 9.259) 31.315 8.978 ( -2.887 -5.191 5.928) 8.392 9.899 ( -3.501 14.777 0.630) 15.199 10.281 ( -3.824 6.359 -3.810) 8.342 11.225 ( 7.703 -12.568 -2.393) 14.934 11.571 ( -4.123 -3.894 4.910) 7.502 11.755 ( 3.018 -15.052 -4.118) 15.894 14.300 ( -8.321 21.264 7.918) 24.168 14.881 ( 3.093 5.557 -7.477) 9.816 15.684 ( -1.712 -3.339 -9.285) 10.015 16.146 ( -3.859 -14.055 0.007) 14.575 ======================= Grid point 56 (45/172) ======================= q-point: ( 0.30 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( 0.031 7.052 2.377) 7.442 1.707 ( 0.443 5.294 0.582) 5.344 1.852 ( 1.348 -2.254 -2.747) 3.800 1.949 ( 3.640 -6.853 -1.644) 7.932 2.409 ( 1.908 1.790 1.758) 3.152 2.668 ( -0.218 -5.576 -6.214) 8.352 2.957 ( -9.124 -6.364 -6.104) 12.689 3.190 ( -5.095 6.579 -13.351) 15.732 3.841 ( -1.959 -14.528 10.974) 18.311 4.569 ( 1.397 -0.502 8.810) 8.934 4.870 ( 0.062 1.616 -6.796) 6.986 5.411 ( 7.797 1.203 4.593) 9.129 5.548 ( -8.963 -12.130 -1.094) 15.122 5.762 ( -3.438 -1.121 4.617) 5.864 6.236 ( 2.196 3.373 -7.940) 8.902 6.619 ( -0.727 13.290 -4.163) 13.945 7.031 ( -20.115 -14.183 7.387) 25.697 7.514 ( -1.626 10.109 -7.519) 12.703 7.839 ( 3.657 -12.876 4.941) 14.268 8.000 ( 6.338 -6.687 -1.729) 9.374 9.066 ( 13.565 -0.253 3.691) 14.061 9.908 ( -9.803 10.386 -0.332) 14.286 10.288 ( -2.970 13.009 -2.454) 13.567 11.123 ( -0.279 -21.443 2.006) 21.538 11.610 ( 5.536 6.478 -2.723) 8.946 11.726 ( 10.784 -11.992 0.990) 16.158 14.415 ( -9.562 21.339 10.546) 25.651 14.926 ( 1.817 7.546 -9.385) 12.179 15.509 ( -3.112 -11.589 -9.798) 15.492 15.958 ( -3.843 -12.487 0.461) 13.073 ======================= Grid point 57 (46/172) ======================= q-point: ( 0.40 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( -1.222 2.577 1.127) 3.066 1.712 ( -8.151 10.592 0.579) 13.378 1.799 ( 1.798 -9.790 -1.915) 10.136 1.969 ( 4.044 -0.215 -3.593) 5.414 2.431 ( -4.585 -4.932 0.683) 6.769 2.568 ( 6.406 -4.658 -2.165) 8.211 2.789 ( -3.744 -2.409 -4.154) 6.090 3.128 ( -3.167 6.912 -6.964) 10.311 3.750 ( -2.547 -8.667 6.378) 11.059 4.682 ( 2.827 4.867 6.507) 8.603 4.834 ( -0.537 -1.291 -2.470) 2.838 5.274 ( -6.754 -8.506 -3.448) 11.395 5.563 ( 4.989 0.095 4.184) 6.512 5.670 ( -9.319 -3.103 4.377) 10.754 6.240 ( 6.466 0.688 -14.454) 15.849 6.515 ( -19.437 -2.504 2.560) 19.764 6.795 ( 1.349 -4.519 8.231) 9.486 7.596 ( -1.484 14.883 -5.733) 16.018 7.795 ( -2.881 -7.333 12.555) 14.822 7.959 ( 5.531 -9.404 -12.091) 16.285 9.370 ( 20.934 -3.024 0.531) 21.158 9.805 ( -14.244 9.723 1.212) 17.289 10.391 ( -0.193 17.705 -2.341) 17.860 10.896 ( -3.492 -22.417 2.589) 22.835 11.726 ( 7.537 -2.356 -1.950) 8.134 11.879 ( 9.638 2.824 0.739) 10.070 14.540 ( -5.892 16.573 11.966) 21.274 14.927 ( -2.611 7.822 -13.085) 15.467 15.287 ( -0.203 -16.890 -2.958) 17.148 15.815 ( -2.671 -6.548 -0.515) 7.091 ======================= Grid point 58 (47/172) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.470 ( -0.000 0.000 0.000) 0.000 1.702 ( 0.000 -0.000 0.000) 0.000 1.744 ( -0.000 0.000 0.000) 0.000 1.993 ( -0.000 0.000 0.000) 0.000 2.340 ( 0.000 0.000 0.000) 0.000 2.663 ( -0.000 0.000 -0.000) 0.000 2.694 ( 0.000 0.000 0.000) 0.000 3.111 ( 0.000 0.000 -0.000) 0.000 3.707 ( 0.000 0.000 0.000) 0.000 4.777 ( 0.000 0.000 0.000) 0.000 4.802 ( -0.000 -0.000 0.000) 0.000 5.175 ( -0.000 0.000 0.000) 0.000 5.556 ( 0.000 0.000 0.000) 0.000 5.622 ( 0.000 0.000 -0.000) 0.000 6.288 ( 0.000 0.000 -0.000) 0.000 6.298 ( -0.000 -0.000 0.000) 0.000 6.830 ( -0.000 -0.000 0.000) 0.000 7.610 ( 0.000 0.000 0.000) 0.000 7.833 ( 0.000 -0.000 -0.000) 0.000 7.880 ( 0.000 0.000 0.000) 0.000 9.597 ( -0.000 0.000 0.000) 0.000 9.676 ( 0.000 -0.000 0.000) 0.000 10.522 ( -0.000 0.000 0.000) 0.000 10.712 ( 0.000 -0.000 0.000) 0.000 11.773 ( 0.000 0.000 0.000) 0.000 11.987 ( 0.000 -0.000 0.000) 0.000 14.655 ( 0.000 0.000 0.000) 0.000 14.840 ( -0.000 -0.000 -0.000) 0.000 15.204 ( -0.000 0.000 0.000) 0.000 15.758 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 116 (48/172) ======================= q-point: ( 0.10 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.411 ( 0.000 0.000 20.272) 20.272 0.411 ( 0.000 0.000 20.272) 20.272 0.561 ( 0.000 0.000 26.435) 26.435 2.988 ( 0.000 0.000 -6.853) 6.853 2.988 ( 0.000 -0.000 -6.853) 6.853 3.020 ( -0.000 -0.000 -9.662) 9.662 3.293 ( 0.000 0.000 2.841) 2.841 3.293 ( -0.000 0.000 2.841) 2.841 4.361 ( -0.000 -0.000 -5.082) 5.082 4.996 ( 0.000 0.000 2.732) 2.732 4.996 ( -0.000 -0.000 2.732) 2.732 5.290 ( -0.000 -0.000 -4.423) 4.423 6.117 ( 0.000 0.000 4.911) 4.911 6.161 ( 0.000 0.000 -5.018) 5.018 6.161 ( -0.000 -0.000 -5.018) 5.018 7.079 ( 0.000 0.000 1.919) 1.919 7.079 ( 0.000 0.000 1.919) 1.919 8.428 ( 0.000 -0.000 -4.821) 4.821 8.428 ( 0.000 -0.000 -4.821) 4.821 8.651 ( -0.000 -0.000 -16.248) 16.248 8.825 ( 0.000 0.000 6.033) 6.033 8.825 ( -0.000 -0.000 6.033) 6.033 11.195 ( 0.000 0.000 12.342) 12.342 11.537 ( 0.000 0.000 0.691) 0.691 11.537 ( -0.000 -0.000 0.691) 0.691 12.158 ( 0.000 0.000 -0.402) 0.402 12.158 ( 0.000 -0.000 -0.402) 0.402 13.530 ( 0.000 0.000 2.168) 2.168 15.572 ( 0.000 0.000 3.084) 3.084 17.066 ( -0.000 -0.000 -2.444) 2.444 ======================= Grid point 117 (49/172) ======================= q-point: ( 0.20 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.575 ( 15.669 -11.492 16.207) 25.303 0.693 ( 3.484 4.592 19.381) 20.220 1.032 ( 22.003 22.127 15.109) 34.670 2.782 ( -10.021 -4.673 -9.137) 14.344 2.924 ( -2.756 -0.788 -12.594) 12.916 3.022 ( 3.112 -1.005 -6.992) 7.719 3.066 ( -10.311 -9.889 0.266) 14.290 3.580 ( 11.790 8.262 -1.245) 14.450 4.334 ( 2.030 0.172 -4.496) 4.936 4.911 ( -7.779 3.027 0.084) 8.348 5.026 ( 1.093 -8.010 5.101) 9.559 5.306 ( 1.114 3.139 0.353) 3.350 5.975 ( -7.171 -4.390 1.162) 8.488 6.189 ( 4.036 -2.075 -4.431) 6.343 6.447 ( 12.795 13.964 -13.173) 23.070 6.934 ( -11.055 -8.179 -2.044) 13.903 6.982 ( -15.713 1.924 0.233) 15.832 8.027 ( -20.266 -4.509 -0.073) 20.761 8.281 ( -0.697 -33.739 -9.867) 35.159 8.563 ( 6.512 -0.093 1.689) 6.728 8.900 ( -3.065 28.600 -4.436) 29.104 9.285 ( 19.287 3.382 4.366) 20.062 10.489 ( -43.920 -7.315 14.612) 46.861 11.421 ( 1.834 -16.192 10.844) 19.574 11.580 ( -2.378 -4.358 5.108) 7.123 12.234 ( 0.736 4.387 2.742) 5.226 12.425 ( 23.998 9.450 5.052) 26.282 14.361 ( 41.757 26.505 -36.247) 61.319 15.609 ( 1.529 0.669 3.166) 3.579 16.912 ( -9.739 -5.601 2.299) 11.467 ======================= Grid point 118 (50/172) ======================= q-point: ( 0.30 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.867 ( 15.482 -4.510 13.911) 21.297 0.922 ( 8.236 3.285 13.364) 16.038 1.670 ( 21.782 18.769 7.860) 29.808 2.472 ( -12.068 -6.676 -12.130) 18.367 2.735 ( -6.650 -5.707 -11.304) 14.303 2.813 ( -11.204 -6.763 -0.727) 13.107 2.982 ( 0.541 -2.656 -7.255) 7.745 3.777 ( 7.430 4.847 -3.161) 9.418 4.386 ( 6.384 1.058 -2.172) 6.826 4.810 ( -11.037 8.191 -0.791) 13.767 4.982 ( 2.526 -15.524 4.956) 16.490 5.321 ( -4.875 1.390 3.499) 6.159 5.815 ( -8.977 -5.372 2.442) 10.742 6.147 ( -7.630 2.241 0.235) 7.956 6.417 ( -18.433 -11.610 -0.436) 21.789 6.666 ( -1.266 9.766 -16.047) 18.828 6.815 ( -3.821 3.345 -10.688) 11.833 7.745 ( -1.709 -24.311 0.863) 24.386 7.928 ( -9.065 -14.419 1.871) 17.134 8.727 ( 7.356 8.540 0.655) 11.290 9.106 ( 5.522 17.646 -5.294) 19.232 9.441 ( -12.299 1.378 16.971) 21.004 10.115 ( -8.301 4.685 -0.602) 9.551 11.381 ( 4.402 -19.916 7.496) 21.730 11.564 ( 3.882 -0.704 -1.299) 4.153 12.267 ( -4.574 3.832 3.844) 7.098 12.992 ( 25.550 12.520 9.532) 30.006 14.728 ( 14.612 11.773 -28.891) 34.450 15.669 ( 2.982 0.618 0.956) 3.192 16.728 ( -8.452 -5.309 0.478) 9.993 ======================= Grid point 119 (51/172) ======================= q-point: ( 0.40 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( 5.667 2.475 9.943) 11.709 1.239 ( 16.768 0.895 8.504) 18.822 1.974 ( -5.930 -3.702 -6.432) 9.500 2.290 ( 8.352 7.355 -5.053) 12.222 2.500 ( -6.259 -9.602 -3.046) 11.859 2.554 ( -13.312 -2.973 -4.635) 14.406 2.929 ( 2.245 -0.569 -6.473) 6.875 3.876 ( 4.143 3.334 -5.561) 7.694 4.489 ( 2.964 1.372 -0.755) 3.352 4.694 ( -12.963 9.683 0.823) 16.202 4.880 ( 4.610 -22.187 1.098) 22.688 5.192 ( -13.245 0.185 2.767) 13.532 5.636 ( -13.114 -0.230 7.368) 15.043 6.043 ( -16.891 8.503 6.035) 19.850 6.091 ( -1.252 -11.597 1.632) 11.778 6.581 ( -1.759 -1.636 -14.288) 14.489 6.785 ( 7.347 2.327 -18.573) 20.108 7.484 ( 2.118 -22.981 -10.214) 25.237 7.796 ( -9.141 -0.869 19.202) 21.284 8.926 ( 2.980 10.540 2.154) 11.163 9.280 ( -16.479 0.701 14.886) 22.218 9.318 ( 8.028 10.294 -4.333) 13.754 10.159 ( 5.072 5.169 -2.876) 7.792 11.300 ( 1.081 -13.042 2.473) 13.319 11.646 ( 9.405 -4.499 -2.630) 10.752 12.203 ( -9.999 2.999 2.839) 10.818 13.560 ( 22.203 12.272 9.467) 27.078 14.777 ( 3.407 6.205 -18.017) 19.358 15.712 ( 2.542 -0.523 -2.139) 3.363 16.544 ( -7.100 -5.232 -3.158) 9.368 ======================= Grid point 120 (52/172) ======================= q-point: ( 0.50 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( 1.150 1.893 1.883) 2.908 1.518 ( 9.026 -0.255 4.955) 10.300 1.749 ( -2.637 -2.646 -3.806) 5.333 2.226 ( -15.179 -7.302 0.122) 16.845 2.343 ( -3.032 -0.199 -4.162) 5.153 2.505 ( 6.341 0.995 -0.421) 6.432 3.012 ( 10.223 5.211 -6.649) 13.262 3.902 ( 1.670 2.574 -8.363) 8.908 4.355 ( -16.971 1.773 0.247) 17.065 4.641 ( 1.955 -7.462 -3.300) 8.390 4.816 ( 5.901 -8.530 1.475) 10.476 5.039 ( -11.905 5.792 6.685) 14.831 5.502 ( -7.869 0.100 3.687) 8.691 5.858 ( -7.181 -5.438 1.245) 9.093 6.081 ( -6.173 1.080 2.657) 6.806 6.496 ( 5.046 1.456 -5.114) 7.330 6.821 ( 11.948 -2.034 -17.125) 20.980 7.291 ( 2.850 -12.761 -8.571) 15.634 7.828 ( -8.625 5.847 22.862) 25.125 8.923 ( -12.360 0.694 5.476) 13.536 9.257 ( 1.580 3.961 4.101) 5.916 9.484 ( 8.455 2.167 -4.863) 9.991 10.266 ( 3.372 4.552 -0.836) 5.726 11.213 ( -1.453 -6.074 -1.725) 6.480 11.726 ( 7.761 -4.548 -1.559) 9.130 12.066 ( -10.265 1.865 1.028) 10.483 14.013 ( 14.206 7.581 5.191) 16.919 14.768 ( 0.731 4.825 -5.004) 6.990 15.708 ( 1.389 -0.852 -5.867) 6.090 16.385 ( -3.237 -3.510 -5.046) 6.947 ======================= Grid point 121 (53/172) ======================= q-point: (-0.40 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( -4.260 0.190 -2.025) 4.721 1.562 ( -2.787 -2.738 3.426) 5.197 1.815 ( 1.075 1.801 1.437) 2.543 1.992 ( 0.060 1.229 -2.096) 2.430 2.363 ( 6.352 0.742 2.330) 6.806 2.608 ( 4.635 1.325 3.557) 5.991 3.159 ( 4.917 4.238 -6.229) 8.996 3.861 ( -0.924 -0.160 -9.732) 9.778 4.145 ( -8.133 4.425 -4.397) 10.250 4.590 ( 8.509 -13.086 -2.124) 15.753 4.836 ( 1.137 -1.211 -3.273) 3.670 5.023 ( -7.540 10.822 11.048) 17.205 5.423 ( -3.895 -2.184 -0.150) 4.469 5.745 ( -1.858 -2.187 0.583) 2.928 5.956 ( -3.294 -2.069 -4.590) 6.017 6.678 ( 6.299 6.944 7.858) 12.233 6.880 ( 12.236 -2.583 -18.511) 22.339 7.252 ( 6.565 -3.525 -0.015) 7.451 7.904 ( -9.793 8.600 21.851) 25.442 8.738 ( -6.811 -6.376 -2.692) 9.711 9.318 ( -1.544 0.729 3.989) 4.339 9.545 ( 5.381 -5.647 -5.535) 9.564 10.324 ( -0.625 2.750 1.118) 3.034 11.109 ( -3.996 -0.477 -7.332) 8.364 11.795 ( 3.809 -0.458 1.028) 3.972 11.970 ( -3.142 1.742 -0.080) 3.594 14.119 ( -5.131 -4.591 -1.503) 7.047 14.897 ( 7.097 7.377 8.457) 13.278 15.685 ( 2.395 1.302 -8.159) 8.602 16.325 ( 2.324 -0.527 -5.631) 6.115 ======================= Grid point 122 (54/172) ======================= q-point: (-0.30 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( -10.530 -4.218 -0.953) 11.383 1.310 ( -16.060 -10.218 -5.119) 19.712 1.971 ( 9.095 8.484 4.615) 13.266 2.171 ( 11.957 6.977 -1.440) 13.919 2.575 ( 12.909 1.690 4.070) 13.640 2.679 ( -2.732 -0.595 8.068) 8.539 3.142 ( -3.983 2.157 -0.558) 4.563 3.759 ( -0.573 -1.068 -12.575) 12.634 4.151 ( 5.917 9.940 -11.171) 16.081 4.674 ( 14.385 -11.850 1.464) 18.695 4.808 ( 0.881 3.020 -7.179) 7.838 5.105 ( -4.590 7.934 11.885) 15.009 5.357 ( 2.604 -1.354 -0.704) 3.018 5.794 ( 8.134 -2.852 2.216) 8.900 5.926 ( -2.867 10.371 -0.951) 10.802 6.806 ( -0.394 6.418 -3.731) 7.434 6.938 ( 10.547 -2.303 -9.803) 14.582 7.434 ( 11.472 1.943 9.069) 14.753 7.942 ( -11.198 7.465 14.988) 20.143 8.591 ( 3.213 -7.460 -10.562) 13.325 9.284 ( -6.920 -0.439 9.141) 11.473 9.485 ( 3.638 -13.641 -5.659) 15.209 10.317 ( -4.114 1.064 3.673) 5.616 10.984 ( -4.539 3.193 -12.858) 14.005 11.840 ( 1.783 -2.409 2.566) 3.946 11.993 ( 0.540 5.968 -0.526) 6.015 13.822 ( -18.505 -11.935 -1.046) 22.045 15.167 ( 8.559 6.285 10.525) 14.951 15.723 ( 4.959 3.886 -4.012) 7.469 16.342 ( 4.329 0.688 -8.680) 9.724 ======================= Grid point 123 (55/172) ======================= q-point: (-0.20 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( -13.359 -5.611 0.776) 14.510 0.906 ( -15.122 -12.841 -5.465) 20.578 2.067 ( -11.733 -6.080 1.674) 13.320 2.428 ( 11.957 8.752 -2.057) 14.960 2.565 ( 1.171 -0.691 5.442) 5.609 2.884 ( 10.450 3.351 3.971) 11.670 3.193 ( 3.220 4.957 5.996) 8.420 3.655 ( -0.395 -0.420 -14.506) 14.518 4.323 ( 11.934 10.851 -10.990) 19.518 4.658 ( -2.842 -6.562 -0.686) 7.184 4.971 ( 15.296 4.100 -4.986) 16.603 5.140 ( -3.254 -1.235 10.951) 11.490 5.556 ( 15.536 5.800 2.722) 16.805 5.902 ( 10.220 -8.731 -0.512) 13.451 6.093 ( 2.177 27.122 4.486) 27.577 6.813 ( -2.105 11.151 -8.650) 14.269 7.020 ( 10.703 -2.608 -6.605) 12.844 7.692 ( 5.439 -3.412 17.094) 18.260 7.886 ( -5.570 6.003 -1.131) 8.266 8.566 ( 9.030 -4.420 -13.058) 16.480 9.259 ( -14.332 14.258 13.345) 24.224 9.372 ( 11.755 -26.212 -2.200) 28.811 10.266 ( -6.766 0.103 3.724) 7.724 10.859 ( -2.592 2.984 -13.727) 14.284 11.835 ( -0.960 -6.732 5.498) 8.745 12.052 ( -0.634 8.248 -2.429) 8.621 13.355 ( -23.293 -14.176 0.576) 27.273 15.385 ( 5.603 3.731 4.849) 8.296 15.881 ( 7.797 5.591 9.052) 13.191 16.312 ( 1.170 -0.976 -16.716) 16.785 ======================= Grid point 124 (56/172) ======================= q-point: (-0.10 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.540 ( -9.583 -16.043 -0.528) 18.695 0.569 ( -12.735 -5.889 7.591) 15.953 1.564 ( -32.693 -16.517 3.089) 36.759 2.675 ( 10.930 8.696 -3.574) 14.418 2.774 ( 12.750 4.237 4.262) 14.096 3.020 ( 3.858 2.127 -2.446) 5.039 3.331 ( 4.478 -1.722 5.892) 7.598 3.546 ( -2.146 1.487 -12.870) 13.132 4.526 ( -4.171 -1.916 -1.207) 4.746 4.569 ( 12.736 8.060 -9.576) 17.857 5.103 ( -1.003 -4.552 6.735) 8.190 5.214 ( 5.171 4.197 2.301) 7.047 5.840 ( 7.947 3.942 3.150) 9.414 6.002 ( 11.597 0.085 -4.558) 12.460 6.484 ( 11.097 16.255 7.546) 21.079 6.866 ( 3.400 11.409 -8.361) 14.547 7.218 ( 13.056 12.333 -3.401) 18.279 7.604 ( -6.347 -3.947 -8.385) 11.232 8.036 ( 10.835 0.067 10.294) 14.945 8.572 ( 8.744 -10.374 -9.001) 16.282 9.153 ( -14.931 6.388 2.223) 16.391 9.510 ( 12.790 3.104 10.320) 16.725 10.080 ( -12.781 -7.954 -6.715) 16.484 10.846 ( 5.655 2.193 1.754) 6.314 11.756 ( -6.453 -7.267 8.538) 12.936 12.090 ( 0.146 5.495 -3.833) 6.701 12.855 ( -22.666 -14.695 1.892) 27.079 15.478 ( 2.151 1.712 -2.509) 3.722 16.064 ( -7.788 -5.705 -29.665) 31.196 16.223 ( 11.711 7.435 19.911) 24.267 ======================= Grid point 127 (57/172) ======================= q-point: ( 0.20 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.662 ( -12.577 2.721 19.168) 23.086 0.864 ( -2.052 6.133 19.449) 20.497 1.118 ( 8.860 27.177 13.842) 31.760 2.738 ( 0.073 -9.924 -8.622) 13.146 2.791 ( 0.619 -4.186 -17.751) 18.248 2.980 ( -2.002 3.562 -8.578) 9.502 3.154 ( -3.046 -8.609 -0.699) 9.158 3.478 ( 2.084 4.335 0.728) 4.865 4.313 ( -0.970 2.921 -3.008) 4.303 4.810 ( 2.183 -16.154 1.656) 16.385 5.165 ( -4.581 6.028 4.224) 8.670 5.303 ( 3.006 4.494 -0.030) 5.406 5.978 ( -0.970 -5.726 -0.620) 5.840 6.079 ( -2.685 -5.246 -1.445) 6.068 6.420 ( 6.125 16.258 -13.645) 22.091 6.951 ( 1.472 -9.250 4.356) 10.330 7.041 ( 8.600 -6.295 -8.722) 13.772 7.859 ( -8.510 -32.034 -2.248) 33.221 8.343 ( -9.306 -4.052 -0.301) 10.155 8.533 ( -9.320 3.783 0.536) 10.073 8.943 ( 27.355 9.185 -2.563) 28.970 9.295 ( -11.650 24.375 -2.337) 27.117 10.468 ( 15.887 -53.189 9.101) 56.252 11.427 ( -7.858 -11.712 9.389) 16.943 11.837 ( -14.935 10.132 8.728) 20.047 12.088 ( 7.335 -3.801 -0.656) 8.287 12.503 ( -0.734 26.006 7.687) 27.128 14.206 ( 2.309 48.251 -26.234) 54.971 15.629 ( -0.167 0.296 3.921) 3.936 16.885 ( -0.100 -14.071 -0.193) 14.072 ======================= Grid point 128 (58/172) ======================= q-point: ( 0.30 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.743 ( 4.306 1.736 18.950) 19.510 1.011 ( 0.408 3.742 16.178) 16.610 1.651 ( 14.172 24.580 8.399) 29.590 2.469 ( -8.839 -9.773 -15.908) 20.657 2.651 ( -0.555 -6.056 -14.779) 15.981 2.894 ( -6.332 -2.090 -5.658) 8.745 2.956 ( -5.383 -6.879 0.606) 8.756 3.615 ( 10.418 -1.047 -4.061) 11.231 4.338 ( 1.652 4.462 -0.290) 4.767 4.712 ( 3.797 -18.643 2.352) 19.171 5.118 ( -9.033 6.453 1.103) 11.156 5.364 ( 0.066 -3.171 1.013) 3.329 5.910 ( -3.466 0.127 4.478) 5.664 6.010 ( 2.049 -8.972 -1.824) 9.382 6.541 ( 5.837 4.212 -14.011) 15.752 6.864 ( -10.369 -0.352 1.889) 10.546 6.940 ( -12.544 2.187 -8.875) 15.521 7.369 ( -2.154 -31.974 -10.000) 33.571 8.194 ( -16.764 5.687 10.839) 20.756 8.508 ( 9.361 -8.187 1.215) 12.495 9.312 ( 0.632 7.543 2.205) 7.884 9.385 ( 12.350 12.846 -6.561) 18.990 10.269 ( 2.483 -29.844 6.680) 30.683 11.239 ( -10.198 -8.248 10.463) 16.779 11.594 ( -11.669 1.521 -0.202) 11.769 12.307 ( 9.021 0.796 -1.767) 9.227 12.912 ( 12.294 24.866 14.067) 31.102 14.538 ( 10.145 29.811 -25.865) 40.751 15.655 ( 0.673 -0.776 2.921) 3.096 16.711 ( -2.953 -15.472 -1.427) 15.816 ======================= Grid point 129 (59/172) ======================= q-point: ( 0.40 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( 12.768 1.582 13.147) 18.395 1.167 ( 3.181 4.359 10.688) 11.973 1.992 ( -2.496 0.579 -4.203) 4.922 2.196 ( 3.459 3.861 -8.197) 9.698 2.473 ( -3.505 -5.760 -9.908) 11.984 2.690 ( -9.967 -5.442 -0.213) 11.358 2.878 ( -0.499 0.383 -4.724) 4.766 3.707 ( 9.476 -4.409 -8.611) 13.542 4.437 ( 4.692 2.285 2.693) 5.873 4.607 ( 3.214 -20.920 2.870) 21.359 5.009 ( -13.343 7.653 -0.770) 15.401 5.271 ( -2.145 -8.660 0.414) 8.931 5.909 ( -6.632 -2.138 5.838) 9.090 5.954 ( 0.176 -3.550 6.035) 7.004 6.472 ( 0.164 -5.504 -15.921) 16.846 6.620 ( -27.693 16.182 2.915) 32.206 6.679 ( -6.262 -2.039 -13.069) 14.634 7.137 ( 7.285 -17.953 -9.792) 21.709 8.107 ( -11.933 5.804 18.193) 22.518 8.651 ( 18.668 -13.589 -0.344) 23.093 9.368 ( 0.184 0.055 1.747) 1.758 9.541 ( -0.647 4.166 -2.038) 4.683 10.164 ( 1.231 -1.335 1.813) 2.566 11.139 ( 0.250 -9.302 7.484) 11.941 11.491 ( -0.790 -3.027 -2.293) 3.879 12.342 ( -2.525 -1.276 -0.704) 2.916 13.462 ( 17.041 21.805 10.476) 29.591 14.714 ( 4.215 18.569 -18.964) 26.874 15.667 ( 0.801 -2.276 0.485) 2.461 16.498 ( -3.040 -15.231 -4.598) 16.198 ======================= Grid point 130 (60/172) ======================= q-point: ( 0.50 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( 2.611 2.741 2.079) 4.319 1.375 ( 11.305 2.143 7.169) 13.556 1.776 ( -6.023 -2.666 -4.206) 7.815 2.283 ( -2.593 -11.912 2.361) 12.418 2.352 ( -0.445 3.536 -5.929) 6.917 2.518 ( -5.073 2.816 -2.160) 6.191 2.909 ( 4.874 7.614 -5.635) 10.653 3.723 ( 8.130 -6.501 -13.212) 16.820 4.412 ( -0.054 -24.798 2.250) 24.900 4.545 ( -0.685 0.178 3.767) 3.833 4.863 ( -10.046 7.716 -1.946) 12.816 5.217 ( -1.137 -1.171 5.347) 5.591 5.765 ( -10.646 -3.681 3.148) 11.696 5.910 ( -8.578 1.528 3.762) 9.491 6.226 ( -10.370 -3.236 -15.256) 18.728 6.535 ( 3.879 -2.135 -12.590) 13.346 6.571 ( -4.879 17.410 8.092) 19.809 7.074 ( 5.620 -6.809 -6.744) 11.110 8.152 ( -6.858 5.750 21.344) 23.144 8.784 ( 15.646 -20.311 -1.225) 25.667 9.251 ( -4.731 -16.403 2.460) 17.248 9.573 ( -3.685 18.694 -5.623) 19.867 10.266 ( 4.085 7.257 0.557) 8.347 11.134 ( 2.488 -8.067 3.429) 9.112 11.473 ( 7.857 -7.803 -2.860) 11.436 12.216 ( -8.293 -5.061 -0.099) 9.715 13.949 ( 12.711 18.043 4.792) 22.585 14.812 ( 1.476 14.321 -6.815) 15.929 15.639 ( 0.305 -3.387 -3.489) 4.872 16.292 ( -0.473 -12.932 -7.255) 14.836 ======================= Grid point 131 (61/172) ======================= q-point: (-0.40 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( -1.971 4.552 -1.777) 5.269 1.555 ( 3.698 -3.508 4.560) 6.839 1.765 ( 4.677 2.836 2.690) 6.095 2.068 ( -10.096 -6.616 -0.881) 12.103 2.326 ( 0.726 1.907 -0.513) 2.104 2.580 ( 5.268 5.582 1.695) 7.860 3.073 ( 8.095 11.195 -7.200) 15.578 3.668 ( 6.655 -9.960 -16.092) 20.061 4.182 ( -2.903 -17.280 0.493) 17.530 4.498 ( -6.329 -2.705 5.900) 9.066 4.812 ( -1.444 3.080 -4.513) 5.651 5.260 ( -2.114 3.435 8.343) 9.267 5.596 ( -10.155 2.533 1.873) 10.632 5.759 ( -10.507 -0.649 -6.161) 12.198 6.036 ( -4.020 6.958 -3.194) 8.648 6.559 ( 11.624 -0.492 -13.935) 18.153 6.775 ( 0.266 13.406 11.522) 17.679 7.114 ( 7.207 1.854 -3.139) 8.077 8.238 ( -6.622 3.962 19.268) 20.756 8.681 ( -1.217 -22.597 -2.064) 22.724 9.097 ( 5.818 -17.714 -2.756) 18.848 9.643 ( -4.299 15.190 -3.364) 16.141 10.381 ( 0.553 7.117 1.109) 7.224 11.071 ( -1.125 -6.339 -5.105) 8.217 11.577 ( 14.551 -9.027 0.273) 17.126 12.032 ( -6.114 -6.047 0.256) 8.603 14.198 ( -1.700 10.076 -0.109) 10.219 14.970 ( 3.185 12.120 7.116) 14.411 15.586 ( 2.400 -1.070 -8.950) 9.327 16.174 ( 4.722 -8.520 -8.002) 12.606 ======================= Grid point 132 (62/172) ======================= q-point: (-0.30 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( -9.825 -2.025 1.685) 10.172 1.416 ( -12.970 -9.576 -4.800) 16.821 1.954 ( 8.423 6.205 3.476) 11.024 1.997 ( 7.663 1.380 -2.009) 8.041 2.451 ( 9.036 4.735 3.649) 10.834 2.757 ( 3.734 7.225 6.011) 10.113 3.205 ( 0.750 8.601 -5.574) 10.277 3.543 ( 6.093 -13.857 -15.741) 21.839 4.060 ( 3.040 -4.243 -5.281) 7.426 4.453 ( 1.556 -4.380 7.217) 8.585 4.790 ( -0.082 2.635 -5.991) 6.545 5.262 ( -5.134 -2.996 6.023) 8.462 5.490 ( -10.043 10.832 -0.026) 14.771 5.663 ( 4.257 -2.610 0.465) 5.016 6.124 ( -0.815 16.538 3.878) 17.006 6.677 ( 10.432 6.804 -13.522) 18.384 6.917 ( -2.228 6.175 5.658) 8.667 7.315 ( 12.899 8.627 0.958) 15.547 8.193 ( -8.758 -6.927 1.308) 11.243 8.465 ( -3.176 -11.233 6.109) 13.175 9.006 ( 8.862 -24.230 -2.658) 25.936 9.664 ( -8.121 12.685 1.994) 15.193 10.426 ( -3.276 5.043 2.661) 6.577 10.934 ( -1.555 -4.779 -13.227) 14.150 11.678 ( 7.159 -11.682 0.764) 13.722 11.998 ( 6.043 -0.239 1.944) 6.352 14.077 ( -18.689 0.683 1.574) 18.767 15.198 ( 5.046 7.824 9.117) 13.031 15.630 ( 7.888 6.748 -7.651) 12.895 16.154 ( 7.209 -5.955 -9.682) 13.460 ======================= Grid point 133 (63/172) ======================= q-point: (-0.20 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( -14.758 -9.769 0.206) 17.699 1.045 ( -16.192 -3.634 -4.791) 17.273 2.116 ( 4.379 2.131 0.117) 4.871 2.222 ( 16.232 1.418 -1.141) 16.333 2.639 ( 0.321 3.276 0.911) 3.415 2.827 ( -1.044 0.961 5.624) 5.801 3.236 ( 0.340 5.403 -1.399) 5.591 3.459 ( 8.401 -6.209 -12.097) 15.984 4.138 ( 11.541 5.858 -9.922) 16.308 4.567 ( 8.587 -4.845 5.177) 11.136 4.801 ( 3.954 6.234 -4.521) 8.657 5.179 ( -2.242 -7.255 6.793) 10.188 5.537 ( 1.600 10.240 2.848) 10.749 5.741 ( 5.129 -3.481 4.063) 7.412 6.338 ( 1.750 18.069 7.501) 19.642 6.822 ( 6.394 0.403 -5.705) 8.578 6.915 ( -1.688 16.864 -10.856) 20.127 7.671 ( 13.627 13.328 7.110) 20.344 7.925 ( -6.484 -10.724 -13.005) 18.061 8.386 ( -0.097 -15.464 6.678) 16.845 8.940 ( 10.017 -17.541 0.354) 20.202 9.666 ( -10.135 12.346 9.218) 18.442 10.408 ( -6.537 3.767 0.451) 7.558 10.771 ( -0.039 -5.117 -13.828) 14.744 11.648 ( 4.660 -13.631 1.214) 14.456 12.159 ( 6.312 5.313 2.357) 8.581 13.693 ( -27.736 -4.417 3.443) 28.296 15.361 ( 4.685 2.762 1.629) 5.678 15.862 ( 10.690 12.311 3.657) 16.710 16.117 ( 4.189 -6.298 -14.761) 16.587 ======================= Grid point 134 (64/172) ======================= q-point: (-0.10 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.594 ( -15.195 -7.115 -1.967) 16.893 0.804 ( -13.598 -0.964 6.304) 15.019 1.978 ( -23.116 -4.809 2.836) 23.780 2.485 ( 16.045 1.267 -3.363) 16.443 2.631 ( 6.182 -0.092 1.277) 6.313 2.924 ( 6.786 0.922 -3.556) 7.717 3.213 ( 2.362 -5.334 -11.475) 12.873 3.551 ( 3.164 8.016 1.589) 8.764 4.368 ( 14.216 8.479 -7.793) 18.295 4.567 ( -2.938 -0.108 -2.679) 3.978 5.036 ( 11.139 4.938 2.023) 12.351 5.164 ( 4.352 -6.501 7.209) 10.639 5.748 ( 11.435 6.141 3.767) 13.516 5.803 ( 5.316 -4.795 2.905) 7.727 6.561 ( 2.521 5.896 10.853) 12.606 6.772 ( 3.594 -4.113 -5.410) 7.688 7.170 ( 12.818 28.955 -16.743) 35.820 7.611 ( -9.325 -10.075 -14.885) 20.249 8.010 ( 5.714 3.531 9.988) 12.037 8.296 ( 7.587 -12.085 -0.346) 14.273 9.034 ( 11.035 -4.184 4.429) 12.605 9.725 ( -5.040 13.362 13.913) 19.938 10.191 ( -14.783 -3.748 -17.242) 23.019 10.760 ( 7.017 -0.716 5.275) 8.808 11.605 ( 3.919 -13.565 2.592) 14.356 12.288 ( -0.224 8.629 1.231) 8.719 13.191 ( -30.924 -6.616 4.394) 31.928 15.424 ( 2.541 -0.608 -5.169) 5.791 15.921 ( -4.593 -8.472 -20.719) 22.850 16.231 ( 12.692 13.467 10.418) 21.236 ======================= Grid point 137 (65/172) ======================= q-point: ( 0.20 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( -5.635 2.952 14.516) 15.849 1.103 ( -0.745 12.403 15.490) 19.858 1.491 ( -15.282 22.122 8.394) 28.167 2.486 ( 9.680 -8.360 -13.500) 18.597 2.625 ( -0.212 -6.997 -17.692) 19.027 2.966 ( 0.182 1.922 -8.984) 9.189 2.986 ( 10.884 -7.159 2.127) 13.200 3.584 ( -11.005 -2.431 -4.650) 12.192 4.371 ( -2.789 4.349 -0.978) 5.258 4.656 ( -0.171 -15.435 2.935) 15.713 5.259 ( 3.555 4.931 5.656) 8.303 5.295 ( 1.833 -1.657 1.216) 2.754 5.929 ( 6.643 -2.931 1.700) 7.457 6.016 ( -0.560 -12.342 -0.323) 12.359 6.330 ( -2.934 -10.697 -13.529) 17.495 6.682 ( 13.768 6.519 -12.655) 19.804 6.801 ( 7.430 -8.357 1.459) 11.277 7.883 ( -9.507 -11.132 5.273) 15.560 8.320 ( 3.722 -2.204 -5.141) 6.718 8.486 ( 16.590 -4.133 3.246) 17.403 8.947 ( -12.444 16.409 -0.461) 20.599 9.562 ( 4.786 -2.555 12.376) 13.513 9.893 ( -1.855 -22.997 -6.717) 24.030 11.497 ( -6.266 -6.463 6.697) 11.220 11.759 ( 17.016 2.576 5.258) 17.995 12.227 ( -6.664 -3.286 -0.598) 7.454 12.941 ( -13.977 26.441 12.042) 32.241 14.467 ( -8.477 27.724 -27.763) 40.141 15.667 ( -1.356 0.422 2.458) 2.839 16.723 ( 2.479 -14.524 -0.688) 14.750 ======================= Grid point 138 (66/172) ======================= q-point: ( 0.30 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( -8.097 4.183 15.530) 18.007 1.194 ( -6.050 3.563 16.817) 18.224 1.756 ( 7.328 26.066 4.090) 27.384 2.378 ( -5.593 -7.312 -20.571) 22.537 2.444 ( 5.939 -7.118 -14.798) 17.462 2.907 ( -1.741 0.870 -7.694) 7.937 2.971 ( -3.569 -12.032 3.317) 12.981 3.434 ( 2.646 -5.040 -6.379) 8.550 4.350 ( 0.536 -5.129 1.194) 5.293 4.571 ( -1.034 -6.749 5.215) 8.592 5.207 ( -0.787 -9.085 0.238) 9.122 5.374 ( -3.186 2.590 1.053) 4.239 5.889 ( -0.274 -11.020 -0.794) 11.052 6.016 ( 2.514 6.803 1.731) 7.456 6.263 ( 11.498 -12.326 -7.643) 18.509 6.785 ( 7.911 3.391 -15.238) 17.501 6.854 ( 3.597 -8.143 0.082) 8.902 7.466 ( -22.710 -14.586 8.227) 28.217 8.249 ( 2.340 -11.071 -0.388) 11.322 8.728 ( -10.905 10.449 7.871) 17.031 8.947 ( 11.918 -7.620 -4.511) 14.848 9.620 ( -8.581 17.882 -7.226) 21.110 9.794 ( 19.864 -22.056 4.554) 30.030 11.382 ( -6.215 -8.362 10.194) 14.577 11.930 ( -16.525 -4.310 -0.612) 17.088 12.072 ( 12.244 1.736 -0.141) 12.368 13.180 ( -1.040 28.278 13.381) 31.301 14.540 ( 3.766 27.924 -25.006) 37.673 15.663 ( -0.596 -1.895 2.659) 3.320 16.564 ( -1.058 -19.271 -1.481) 19.356 ======================= Grid point 139 (67/172) ======================= q-point: ( 0.40 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( 0.459 4.252 14.589) 15.203 1.261 ( -1.492 3.410 10.959) 11.574 1.992 ( -3.397 -2.867 -8.253) 9.374 2.165 ( 1.683 11.117 -7.233) 13.369 2.359 ( 2.587 -3.845 -13.133) 13.926 2.767 ( -7.753 -9.906 2.578) 12.841 2.872 ( -0.363 1.784 -4.175) 4.555 3.425 ( 8.975 -8.236 -10.295) 15.949 4.300 ( 3.850 -17.961 4.244) 18.852 4.569 ( -2.295 3.458 5.638) 7.001 5.123 ( 2.610 -11.018 1.897) 11.481 5.277 ( -9.295 2.204 -2.661) 9.916 5.798 ( 1.215 -9.374 -2.088) 9.680 6.151 ( 6.373 3.649 -6.824) 10.025 6.228 ( -0.012 -9.909 2.676) 10.264 6.680 ( -6.421 -5.482 -11.983) 14.659 6.867 ( 5.603 -1.365 -2.569) 6.313 7.150 ( -18.348 4.368 8.156) 20.549 8.203 ( 12.397 -20.475 -2.233) 24.039 8.560 ( -21.190 9.654 8.876) 24.920 9.044 ( 17.185 -24.534 0.990) 29.970 9.673 ( -3.227 20.090 -5.808) 21.160 9.989 ( 15.100 -2.921 1.103) 15.419 11.266 ( -7.879 -9.084 11.392) 16.564 11.617 ( -17.042 1.580 -1.065) 17.149 12.242 ( 8.699 -3.190 -3.907) 10.056 13.568 ( 7.150 26.259 10.647) 29.224 14.691 ( 5.599 20.188 -19.834) 28.850 15.645 ( -0.371 -4.056 2.276) 4.666 16.335 ( -1.860 -20.436 -3.831) 20.875 ======================= Grid point 140 (68/172) ======================= q-point: ( 0.50 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( 4.794 4.846 3.843) 7.825 1.354 ( 2.103 3.997 6.321) 7.769 1.819 ( -4.134 -0.359 -2.796) 5.004 2.212 ( 0.502 -7.981 1.329) 8.106 2.349 ( 1.704 7.033 -7.732) 10.590 2.583 ( -5.823 -5.662 -0.221) 8.125 2.900 ( 2.112 7.421 -4.508) 8.936 3.406 ( 8.955 -9.354 -14.313) 19.301 4.193 ( 1.952 -22.411 5.688) 23.204 4.610 ( -1.531 2.822 5.439) 6.316 5.074 ( -9.158 -0.179 -2.542) 9.506 5.181 ( 3.966 -1.783 3.164) 5.378 5.714 ( 0.247 -7.676 -4.256) 8.781 6.067 ( 4.453 -7.569 -15.648) 17.944 6.209 ( -7.640 -0.928 7.350) 10.642 6.491 ( -7.383 2.342 -6.130) 9.878 6.916 ( 1.308 0.316 3.096) 3.376 7.045 ( -13.036 20.184 3.920) 24.346 8.232 ( 20.336 -27.854 -4.490) 34.779 8.451 ( -8.907 2.130 15.589) 18.080 9.032 ( 6.841 -19.721 -1.563) 20.932 9.758 ( -3.361 16.865 -4.722) 17.833 10.222 ( 10.655 6.217 0.777) 12.361 11.126 ( -5.934 -10.374 8.336) 14.571 11.407 ( -8.132 -0.986 -3.054) 8.742 12.222 ( -1.569 -7.952 -2.490) 8.480 13.999 ( 9.681 24.468 4.289) 26.661 14.841 ( 6.076 15.607 -10.084) 19.550 15.596 ( -1.541 -6.510 0.944) 6.756 16.098 ( -0.144 -17.827 -6.664) 19.032 ======================= Grid point 141 (69/172) ======================= q-point: ( 0.60 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( 1.172 9.363 -3.525) 10.073 1.488 ( 4.801 -0.059 6.224) 7.861 1.799 ( -2.385 0.896 4.410) 5.093 2.115 ( -3.768 -8.194 1.949) 9.227 2.352 ( -1.728 2.838 -2.035) 3.896 2.548 ( 4.825 2.949 -0.167) 5.657 3.018 ( 6.502 9.838 -6.009) 13.235 3.345 ( 6.696 -7.773 -17.097) 19.939 4.040 ( -0.479 -20.355 5.818) 21.176 4.635 ( -3.346 1.665 6.280) 7.308 4.878 ( -8.812 -1.044 -6.044) 10.737 5.298 ( 4.668 0.611 6.221) 7.802 5.594 ( -1.734 -6.892 -5.345) 8.892 6.001 ( -4.698 1.328 -14.870) 15.651 6.124 ( -3.677 5.502 8.173) 10.516 6.408 ( -1.306 8.399 -4.989) 9.856 6.983 ( 0.813 4.092 6.775) 7.957 7.130 ( -5.292 19.819 3.667) 20.838 8.218 ( 13.544 -28.629 -5.133) 32.085 8.498 ( 0.538 -6.051 18.069) 19.063 8.883 ( -1.263 -13.351 -7.733) 15.480 9.823 ( -3.335 14.372 -2.125) 14.906 10.429 ( 4.806 9.287 0.797) 10.487 10.986 ( -2.453 -12.494 -1.043) 12.775 11.328 ( 4.223 -4.547 -0.276) 6.211 12.049 ( -5.959 -10.747 -1.025) 12.331 14.334 ( 2.877 20.334 -0.291) 20.539 15.054 ( 6.624 12.568 3.334) 14.593 15.481 ( -1.038 -8.614 -5.145) 10.088 15.950 ( 4.335 -10.438 -7.143) 13.370 ======================= Grid point 142 (70/172) ======================= q-point: (-0.30 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( -6.998 2.935 1.835) 7.807 1.480 ( -6.586 -6.592 -0.384) 9.326 1.816 ( 4.961 -0.959 -0.162) 5.055 2.023 ( -2.367 0.875 -0.059) 2.524 2.412 ( 5.183 5.327 3.550) 8.236 2.762 ( 10.429 9.884 4.715) 15.122 3.124 ( 7.852 -7.741 -10.936) 15.530 3.287 ( 1.687 7.547 -12.308) 14.536 3.912 ( 2.137 -14.570 3.321) 15.096 4.581 ( -9.611 -0.309 6.924) 11.850 4.765 ( 0.790 1.711 -6.079) 6.364 5.342 ( -4.181 -3.083 3.432) 6.227 5.551 ( 4.866 -0.965 0.689) 5.008 5.780 ( -12.471 5.216 -6.698) 15.086 6.264 ( 3.028 8.802 6.919) 11.598 6.549 ( 7.760 14.571 -6.412) 17.710 7.093 ( -3.864 6.531 9.387) 12.071 7.257 ( 4.163 15.484 -3.209) 16.352 8.063 ( 2.699 -22.420 -7.890) 23.920 8.468 ( -2.203 -24.294 9.250) 26.089 8.753 ( 1.263 0.409 -3.278) 3.537 9.891 ( -3.903 11.898 3.110) 12.902 10.545 ( -1.550 8.860 1.333) 9.092 10.801 ( -1.901 -11.603 -9.135) 14.889 11.427 ( 11.493 -7.658 1.381) 13.879 11.897 ( 1.206 -8.022 0.311) 8.118 14.410 ( -13.315 10.614 2.418) 17.198 15.229 ( 2.092 -2.206 5.760) 6.513 15.490 ( 12.160 8.591 -7.270) 16.569 15.925 ( 6.116 -4.971 -7.178) 10.660 ======================= Grid point 143 (71/172) ======================= q-point: (-0.20 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( -16.565 -6.688 3.398) 18.185 1.250 ( -13.158 1.237 -2.998) 13.552 1.927 ( 11.979 -3.249 -2.989) 12.766 2.077 ( 6.010 2.198 0.278) 6.406 2.600 ( 7.556 5.668 0.681) 9.470 2.917 ( -4.535 -4.781 -4.858) 8.187 3.123 ( 9.850 0.170 -4.798) 10.958 3.339 ( 1.924 9.319 0.448) 9.527 3.931 ( 10.752 -2.352 -2.985) 11.404 4.514 ( -0.837 -0.238 3.715) 3.816 4.803 ( 1.702 5.526 -0.688) 5.823 5.222 ( -6.078 -5.710 2.404) 8.679 5.611 ( -0.764 1.080 2.380) 2.723 5.709 ( 0.970 2.206 2.052) 3.165 6.441 ( 4.544 5.433 6.674) 9.732 6.751 ( 4.999 10.291 -6.129) 12.979 7.045 ( -7.656 6.723 -3.034) 10.631 7.560 ( 13.216 12.027 -5.169) 18.602 7.855 ( -1.447 -2.497 -7.137) 7.698 8.195 ( -0.129 -32.797 3.124) 32.946 8.824 ( 2.143 5.526 3.262) 6.765 9.952 ( -5.825 9.205 8.494) 13.814 10.524 ( -7.043 -2.100 -9.813) 12.260 10.649 ( 0.402 -0.804 -0.434) 0.998 11.481 ( 4.739 -8.221 -0.216) 9.491 11.999 ( 14.080 -2.371 2.330) 14.467 14.157 ( -26.511 1.431 5.330) 27.079 15.273 ( 6.561 -3.100 -3.333) 7.986 15.787 ( 12.449 6.788 1.269) 14.236 15.933 ( 4.761 3.119 -9.037) 10.680 ======================= Grid point 144 (72/172) ======================= q-point: (-0.10 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( -16.754 3.627 3.627) 17.522 1.061 ( -13.114 2.239 4.479) 14.038 2.064 ( 9.254 -3.295 -4.168) 10.671 2.227 ( 10.951 0.461 -0.706) 10.984 2.653 ( -8.192 -3.135 -3.089) 9.300 2.770 ( 6.959 -3.172 -7.266) 10.549 3.085 ( -2.571 -2.829 -6.926) 7.911 3.593 ( 6.886 12.319 6.374) 15.485 4.163 ( 16.592 7.867 -3.586) 18.710 4.562 ( 2.102 1.658 -2.663) 3.777 4.941 ( 8.256 7.567 4.194) 11.959 5.107 ( -2.060 -9.378 4.151) 10.460 5.671 ( 5.580 1.109 3.180) 6.518 5.746 ( 0.996 -5.129 6.182) 8.094 6.582 ( 5.331 -2.312 4.833) 7.558 6.705 ( -4.925 -7.880 0.290) 9.297 7.102 ( 6.623 19.652 -20.725) 29.319 7.489 ( -2.597 -8.775 -16.795) 19.126 7.867 ( 2.418 -28.606 8.088) 29.826 8.247 ( 11.942 26.803 3.416) 29.542 8.966 ( 5.357 6.353 6.511) 10.557 9.980 ( -6.282 4.274 8.726) 11.570 10.219 ( -11.231 -8.422 -15.946) 21.245 10.747 ( 3.271 7.385 7.934) 11.322 11.483 ( 3.337 -3.459 -0.415) 4.825 12.221 ( 11.436 -1.520 2.387) 11.781 13.719 ( -31.949 -0.460 6.085) 32.527 15.299 ( 4.402 -5.548 -7.867) 10.585 15.799 ( -0.817 -4.503 -9.237) 10.309 16.196 ( 12.886 14.265 2.104) 19.338 ======================= Grid point 147 (73/172) ======================= q-point: ( 0.20 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( -3.117 3.737 9.046) 10.271 1.338 ( -2.645 13.721 10.864) 17.700 1.940 ( -9.192 7.654 -0.008) 11.962 2.172 ( 3.355 -2.305 -12.469) 13.116 2.435 ( 1.691 -7.384 -13.395) 15.388 2.752 ( 12.892 -3.412 1.847) 13.463 2.907 ( 1.257 0.021 -6.145) 6.272 3.664 ( -10.344 -7.320 -9.975) 16.127 4.403 ( -2.799 -10.633 0.944) 11.036 4.610 ( -0.984 -0.508 4.198) 4.342 5.126 ( 5.819 -18.730 0.300) 19.616 5.260 ( 10.115 8.063 5.319) 13.987 5.716 ( 8.635 -6.931 1.288) 11.147 5.971 ( 0.996 -2.963 8.113) 8.694 6.212 ( -3.396 -9.387 -9.366) 13.688 6.503 ( 9.082 1.695 -8.405) 12.490 6.722 ( -1.271 10.910 -10.275) 15.040 7.885 ( 7.037 -2.580 2.740) 7.980 7.989 ( 24.502 5.107 -0.518) 25.034 8.501 ( -19.697 -21.004 7.027) 29.640 9.255 ( -2.734 -5.220 14.009) 15.198 9.346 ( 1.328 0.065 0.026) 1.330 9.990 ( -11.849 5.314 -7.987) 15.246 11.511 ( 9.219 0.284 -2.103) 9.460 11.647 ( -3.318 -2.835 6.897) 8.161 12.174 ( 3.791 -7.904 -1.682) 8.926 13.499 ( -15.819 22.040 12.298) 29.787 14.593 ( -5.630 14.057 -22.141) 26.824 15.699 ( -1.147 0.101 -0.926) 1.478 16.537 ( 3.318 -12.901 -3.027) 13.660 ======================= Grid point 148 (74/172) ======================= q-point: ( 0.30 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( -3.572 5.177 5.420) 8.303 1.468 ( -6.762 4.882 15.510) 17.611 1.933 ( -1.518 13.575 -0.863) 13.687 2.151 ( 7.670 -1.453 -16.992) 18.700 2.278 ( -2.582 -2.949 -13.982) 14.521 2.847 ( 3.284 -3.510 -4.631) 6.674 2.896 ( 2.551 -5.669 1.966) 6.520 3.347 ( -6.900 -11.261 -11.256) 17.353 4.260 ( -1.657 -15.622 4.880) 16.451 4.652 ( -1.578 5.274 5.422) 7.727 5.026 ( 4.953 -19.615 -0.574) 20.239 5.443 ( 1.252 3.953 2.032) 4.617 5.748 ( 2.719 -9.428 -0.565) 9.829 5.941 ( -3.245 -11.218 -5.858) 13.065 6.101 ( 6.256 5.862 3.892) 9.416 6.623 ( 8.611 -1.474 -12.688) 15.405 6.782 ( 0.792 10.131 1.679) 10.299 7.689 ( -15.222 -19.202 8.148) 25.823 8.173 ( -6.354 -11.761 2.197) 13.547 8.407 ( 20.856 -9.841 -1.583) 23.115 9.277 ( -16.261 15.172 -3.848) 22.570 9.370 ( 16.869 -8.074 8.501) 20.543 9.861 ( -7.986 12.465 -4.245) 15.400 11.480 ( -7.472 -6.569 7.862) 12.680 11.733 ( 14.196 -5.320 -3.175) 15.489 12.114 ( -1.792 -7.058 -1.033) 7.354 13.610 ( -9.079 25.678 12.808) 30.097 14.566 ( 0.378 19.929 -22.282) 29.896 15.666 ( -0.925 -3.055 0.331) 3.209 16.387 ( -0.714 -18.732 -2.532) 18.916 ======================= Grid point 149 (75/172) ======================= q-point: ( 0.40 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( -3.230 7.415 0.305) 8.094 1.450 ( -8.585 0.882 14.877) 17.198 1.949 ( -1.824 -2.563 -8.069) 8.661 2.147 ( 5.596 -6.783 -9.462) 12.917 2.247 ( 0.926 18.734 -8.685) 20.670 2.793 ( -4.080 -9.482 2.050) 10.525 2.844 ( 0.536 -2.474 -2.196) 3.351 3.161 ( 4.602 -8.695 -11.532) 15.158 4.134 ( 0.164 -17.535 6.665) 18.759 4.707 ( -3.441 6.310 3.710) 8.089 4.941 ( 5.649 -15.732 4.047) 17.199 5.387 ( -6.288 -1.986 -3.981) 7.702 5.682 ( 2.109 -7.477 -1.051) 7.840 5.842 ( 4.566 -10.595 -6.905) 13.445 6.272 ( 5.558 2.770 3.133) 6.955 6.548 ( 0.979 -6.721 -15.865) 17.258 6.940 ( -0.750 11.481 11.792) 16.475 7.395 ( -8.102 -12.721 10.803) 18.552 7.932 ( -5.687 -15.990 -2.435) 17.145 8.511 ( 13.387 -20.972 -4.972) 25.373 9.123 ( -19.229 16.926 4.419) 25.996 9.705 ( 20.482 2.155 1.644) 20.661 9.879 ( -4.332 16.430 -3.067) 17.266 11.333 ( -6.668 -12.184 7.372) 15.725 11.812 ( -1.777 -4.780 -1.741) 5.388 12.052 ( 4.848 -1.009 -2.775) 5.676 13.837 ( -1.786 25.438 9.541) 27.227 14.642 ( 4.607 16.692 -18.596) 25.410 15.623 ( -0.254 -6.086 2.312) 6.515 16.155 ( -2.617 -20.368 -3.295) 20.798 ======================= Grid point 150 (76/172) ======================= q-point: ( 0.50 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( 1.070 11.900 -5.252) 13.051 1.450 ( -3.516 1.150 11.745) 12.314 1.869 ( -2.251 1.799 0.233) 2.890 2.115 ( 3.434 -6.834 -2.421) 8.022 2.339 ( 0.934 6.672 -5.139) 8.474 2.624 ( -6.557 -6.430 -0.020) 9.183 2.867 ( 4.154 0.037 -2.561) 4.880 3.118 ( 6.707 -4.251 -12.390) 14.716 4.026 ( 0.820 -18.218 7.580) 19.748 4.700 ( -2.538 1.835 1.764) 3.595 5.003 ( 7.107 -6.899 7.462) 12.401 5.224 ( -5.744 -2.663 -5.789) 8.579 5.634 ( -0.500 -3.550 -3.961) 5.342 5.778 ( 7.330 -8.069 -10.562) 15.178 6.302 ( -4.235 -7.568 8.541) 12.172 6.456 ( 6.741 -0.166 -13.585) 15.166 7.080 ( -5.843 9.744 12.980) 17.251 7.353 ( 0.335 3.056 6.763) 7.429 7.720 ( 2.087 -17.727 -3.925) 18.276 8.442 ( 7.041 -21.238 -0.131) 22.375 9.036 ( -13.498 11.422 4.923) 18.354 9.905 ( 0.797 7.400 -2.505) 7.853 10.095 ( 12.569 14.424 -0.069) 19.132 11.136 ( -5.931 -16.980 4.552) 18.554 11.622 ( -14.957 -0.136 0.367) 14.962 12.114 ( 4.174 -4.420 -3.641) 7.087 14.141 ( 4.584 25.593 2.724) 26.143 14.775 ( 8.306 12.102 -10.441) 18.013 15.563 ( -1.337 -10.786 4.311) 11.692 15.913 ( -1.792 -15.604 -5.130) 16.523 ======================= Grid point 151 (77/172) ======================= q-point: ( 0.60 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( 2.512 14.469 -7.763) 16.611 1.514 ( -0.053 1.788 10.076) 10.234 1.885 ( -2.625 1.100 4.947) 5.708 2.080 ( 0.282 -8.517 3.134) 9.080 2.387 ( 2.023 4.575 -0.577) 5.035 2.492 ( -0.965 -2.782 -2.634) 3.951 2.913 ( 5.344 -4.200 -3.391) 7.595 3.142 ( 6.295 7.916 -13.718) 17.043 3.922 ( -0.403 -16.854 8.147) 18.724 4.713 ( -0.335 3.002 1.719) 3.475 4.930 ( -6.576 -9.212 -3.884) 11.967 5.240 ( 7.039 1.993 4.423) 8.549 5.539 ( -2.642 -3.802 -5.564) 7.238 5.817 ( 9.693 0.075 -11.398) 14.962 6.246 ( -2.709 -4.001 11.490) 12.465 6.503 ( 3.595 7.814 -8.088) 11.807 7.117 ( -5.786 7.792 6.982) 11.956 7.478 ( -6.384 16.167 7.012) 18.742 7.626 ( 15.330 -24.329 -5.405) 29.259 8.380 ( 7.159 -23.579 7.725) 25.825 8.931 ( -11.776 6.871 -1.243) 13.690 9.965 ( -0.541 8.902 -1.377) 9.024 10.406 ( 9.659 13.121 0.284) 16.295 10.905 ( -4.564 -17.549 0.261) 18.135 11.400 ( -12.482 2.018 0.446) 12.652 12.019 ( -4.234 -10.224 -2.135) 11.270 14.456 ( 5.940 22.886 -3.484) 23.899 15.012 ( 12.496 11.082 0.007) 16.702 15.395 ( -5.156 -18.951 2.095) 19.751 15.792 ( 1.851 -3.987 -4.067) 5.988 ======================= Grid point 152 (78/172) ======================= q-point: (-0.30 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( 0.249 7.831 -5.729) 9.706 1.556 ( -6.357 -1.711 9.315) 11.406 1.808 ( -5.108 -2.663 0.727) 5.807 2.026 ( -0.508 -5.167 -1.259) 5.343 2.420 ( 1.814 3.418 2.045) 4.377 2.654 ( 13.838 5.008 3.373) 15.098 2.901 ( 3.160 -4.282 -4.947) 7.266 3.287 ( 6.343 17.368 -11.519) 21.785 3.806 ( -1.968 -15.958 8.229) 18.062 4.688 ( -3.556 -6.570 -8.925) 11.639 4.784 ( -3.016 4.452 6.838) 8.699 5.382 ( -1.806 -2.012 2.211) 3.493 5.465 ( 6.309 1.902 -0.842) 6.643 5.835 ( 0.353 -0.965 -9.614) 9.669 6.305 ( 2.372 -0.069 10.582) 10.845 6.617 ( 1.273 15.857 -4.379) 16.499 7.218 ( 3.577 9.818 7.656) 12.954 7.438 ( -8.829 3.907 -2.778) 10.047 7.685 ( 11.670 -11.408 -2.271) 16.478 8.260 ( -0.203 -26.729 2.204) 26.821 8.826 ( -4.973 5.770 -0.962) 7.678 10.042 ( -0.085 7.862 2.490) 8.247 10.636 ( 3.666 11.633 1.213) 12.257 10.680 ( -3.635 -13.194 -4.787) 14.498 11.310 ( -1.511 2.306 1.302) 3.048 11.824 ( -3.645 -11.226 -1.248) 11.869 14.678 ( -0.798 16.756 -1.152) 16.815 15.128 ( -2.917 -20.251 -2.361) 20.596 15.354 ( 13.649 11.548 5.013) 18.568 15.804 ( 3.024 2.065 -3.868) 5.327 ======================= Grid point 153 (79/172) ======================= q-point: (-0.20 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( -12.548 -5.336 2.473) 13.858 1.431 ( -8.874 3.817 1.125) 9.726 1.768 ( 1.808 -1.897 -1.257) 2.906 1.999 ( 3.879 -1.870 -1.713) 4.634 2.525 ( 6.107 0.626 -1.132) 6.242 2.759 ( 2.762 -7.793 -7.284) 11.019 3.099 ( 10.321 16.318 8.314) 21.022 3.437 ( -1.336 14.882 -6.649) 16.354 3.726 ( 6.683 -11.550 4.695) 14.146 4.536 ( -1.988 -2.939 -5.354) 6.423 4.856 ( -0.123 4.874 6.489) 8.117 5.269 ( -5.034 -5.355 -1.236) 7.453 5.630 ( 3.232 2.847 5.350) 6.868 5.733 ( -2.675 -0.797 -4.088) 4.950 6.408 ( 4.736 -4.090 5.451) 8.299 6.738 ( 2.370 8.761 -4.851) 10.291 7.223 ( -10.378 -1.545 -3.090) 10.937 7.502 ( 2.422 7.054 4.210) 8.565 7.777 ( 8.944 8.246 -6.333) 13.716 7.943 ( -2.289 -23.474 -1.464) 23.631 8.871 ( 2.352 5.705 1.162) 6.279 10.120 ( -1.034 3.315 5.084) 6.156 10.466 ( -5.068 -9.602 -6.442) 12.624 10.767 ( -2.089 12.112 2.795) 12.604 11.361 ( 3.204 0.730 -0.877) 3.401 11.780 ( 9.436 -4.495 1.325) 10.535 14.597 ( -21.451 0.738 5.854) 22.248 15.030 ( 11.658 -8.878 -7.777) 16.589 15.674 ( 9.088 3.785 6.619) 11.862 15.875 ( 5.275 11.049 -6.856) 14.033 ======================= Grid point 154 (80/172) ======================= q-point: (-0.10 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( -11.956 2.048 5.711) 13.407 1.317 ( -10.979 5.369 2.167) 12.412 1.809 ( 8.671 -4.043 -3.317) 10.126 2.081 ( 8.288 -0.757 -0.214) 8.326 2.567 ( 5.485 -6.944 -6.738) 11.122 2.670 ( -1.703 -1.670 -5.526) 6.019 3.192 ( -12.043 2.791 -1.519) 12.455 3.638 ( 8.915 14.431 7.262) 18.452 3.923 ( 18.804 4.966 -1.208) 19.486 4.513 ( 3.142 1.264 -3.620) 4.957 4.952 ( 2.402 2.677 6.303) 7.257 5.112 ( -6.403 -7.313 -0.084) 9.721 5.635 ( -0.196 -1.746 1.021) 2.033 5.744 ( 0.318 -4.052 7.761) 8.762 6.438 ( 5.720 -12.242 0.082) 13.513 6.718 ( -5.029 -6.197 -1.783) 8.177 7.071 ( -2.265 11.756 -20.991) 24.165 7.407 ( -7.553 -4.277 -10.708) 13.784 7.673 ( 1.734 -20.341 15.695) 25.751 8.287 ( 17.750 26.851 1.492) 32.222 8.993 ( 4.150 6.820 1.958) 8.220 10.062 ( -5.972 -10.205 -3.811) 12.423 10.285 ( -7.582 0.659 0.688) 7.641 10.874 ( -0.979 12.035 5.578) 13.301 11.417 ( 3.654 4.580 -2.513) 6.376 11.997 ( 15.232 -1.429 2.865) 15.565 14.224 ( -26.383 -2.761 5.322) 27.055 15.080 ( 7.859 -8.327 -6.599) 13.215 15.746 ( -0.053 -0.383 -1.883) 1.922 16.125 ( 11.418 13.811 -2.357) 18.074 ======================= Grid point 157 (81/172) ======================= q-point: ( 0.20 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( 0.449 2.813 -0.633) 2.918 1.565 ( -3.381 9.050 6.604) 11.703 1.788 ( 6.394 -1.481 -5.649) 8.659 2.224 ( 2.015 -13.256 -2.156) 13.581 2.322 ( -2.024 2.893 -3.773) 5.167 2.597 ( 6.057 5.729 0.989) 8.395 2.903 ( -5.130 5.846 -7.628) 10.894 3.648 ( -9.777 -12.484 -14.198) 21.284 4.293 ( 2.691 -16.591 6.007) 17.849 4.672 ( -0.570 3.350 1.657) 3.781 4.886 ( 2.523 -13.440 -1.112) 13.720 5.174 ( 11.823 6.397 3.969) 14.016 5.581 ( 6.535 0.197 0.934) 6.605 5.937 ( 5.221 -6.614 1.636) 8.583 6.143 ( 4.471 0.775 3.536) 5.753 6.415 ( -5.643 4.178 -8.651) 11.142 6.811 ( -1.127 16.701 -11.177) 20.128 7.583 ( 21.041 7.998 -6.357) 23.390 7.867 ( 2.105 -10.600 14.549) 18.124 8.659 ( -17.223 -25.578 9.557) 32.283 9.154 ( -1.150 -11.447 4.166) 12.236 9.577 ( -3.327 19.710 0.343) 19.992 10.157 ( -8.351 4.175 -3.837) 10.094 11.313 ( 9.840 -2.515 -5.122) 11.375 11.733 ( -3.915 -3.433 4.553) 6.916 11.989 ( 3.240 -13.295 -2.983) 14.006 13.986 ( -11.573 18.361 8.402) 23.274 14.666 ( -5.382 9.223 -10.505) 14.979 15.678 ( 0.532 -1.582 -5.342) 5.597 16.354 ( 2.146 -9.728 -5.164) 11.221 ======================= Grid point 158 (82/172) ======================= q-point: ( 0.30 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( 0.247 6.973 -6.024) 9.218 1.663 ( -0.605 5.429 7.565) 9.331 1.844 ( 5.256 0.032 -3.669) 6.410 2.091 ( -2.971 -8.713 -2.025) 9.426 2.299 ( -3.104 9.887 -4.761) 11.405 2.715 ( 5.317 -2.351 -1.484) 5.999 2.853 ( -0.980 3.249 -4.446) 5.593 3.257 ( -8.422 -16.090 -14.189) 23.047 4.201 ( -2.167 -15.402 8.916) 17.928 4.728 ( 1.594 1.310 6.134) 6.472 4.793 ( 2.201 -10.278 -3.624) 11.118 5.402 ( 8.725 2.511 1.237) 9.163 5.669 ( 2.287 -0.851 -1.254) 2.744 5.878 ( -3.508 -10.307 -1.474) 10.987 6.162 ( -4.714 2.803 2.989) 6.246 6.405 ( 6.131 4.026 -9.431) 11.947 6.937 ( 0.540 18.849 1.082) 18.888 7.688 ( -4.181 -19.085 0.039) 19.538 8.014 ( 16.067 -4.517 0.754) 16.707 8.260 ( -11.828 -17.645 9.761) 23.378 9.105 ( 7.106 -5.405 0.571) 8.946 9.663 ( -9.128 16.211 3.034) 18.850 10.060 ( -7.508 9.684 -3.048) 12.627 11.424 ( 13.419 -5.941 -6.604) 16.092 11.592 ( -8.440 -9.363 6.283) 14.084 11.951 ( 7.930 -11.196 -2.066) 13.874 14.067 ( -9.742 22.273 9.068) 25.946 14.630 ( -3.897 15.861 -12.892) 20.808 15.621 ( 0.571 -5.928 -3.326) 6.821 16.214 ( -0.739 -15.284 -4.303) 15.895 ======================= Grid point 159 (83/172) ======================= q-point: ( 0.40 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( -1.127 11.505 -10.978) 15.942 1.684 ( -6.815 -0.306 9.140) 11.406 1.890 ( 2.472 -1.608 0.001) 2.949 1.979 ( 0.312 -4.411 -4.926) 6.620 2.369 ( -0.878 14.252 -2.556) 14.506 2.701 ( 2.995 -9.345 -3.040) 10.273 2.833 ( -3.047 -3.962 0.874) 5.074 2.973 ( 0.377 -4.648 -12.761) 13.587 4.068 ( -3.776 -15.668 9.399) 18.657 4.724 ( 2.011 -5.605 -4.592) 7.520 4.829 ( 3.358 0.182 9.624) 10.195 5.425 ( -7.355 -6.505 -4.156) 10.662 5.600 ( 1.371 -4.232 0.943) 4.547 5.761 ( -3.683 -4.122 0.790) 5.584 6.160 ( 4.700 -0.603 -8.063) 9.352 6.421 ( -0.342 1.635 -8.129) 8.299 7.160 ( -0.717 9.227 17.941) 20.187 7.377 ( -5.816 -16.941 0.851) 17.932 8.016 ( -11.866 -8.232 5.419) 15.425 8.112 ( 10.987 -15.113 -5.175) 19.388 9.342 ( 19.120 6.581 -3.680) 20.553 9.619 ( -13.381 9.426 5.307) 17.206 10.073 ( -3.720 15.151 -1.560) 15.679 11.327 ( -4.037 -20.772 2.659) 21.327 11.641 ( 11.383 4.689 -4.610) 13.145 11.968 ( 4.905 -7.562 0.919) 9.060 14.195 ( -7.012 23.268 5.923) 25.013 14.650 ( -1.502 15.113 -11.173) 18.855 15.552 ( 1.519 -10.643 0.943) 10.792 16.006 ( -3.078 -15.785 -3.985) 16.569 ======================= Grid point 160 (84/172) ======================= q-point: ( 0.50 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( -0.142 15.609 -10.645) 18.894 1.618 ( -6.826 -1.131 10.943) 12.947 1.907 ( 1.086 -2.726 3.672) 4.700 1.960 ( 4.761 -1.206 -5.531) 7.397 2.379 ( -4.076 -0.002 -1.776) 4.447 2.649 ( -1.366 -2.682 -2.103) 3.672 2.769 ( 2.134 -4.808 2.847) 5.982 2.963 ( 4.024 4.898 -9.405) 11.342 3.935 ( -2.009 -15.476 8.813) 17.922 4.698 ( 1.732 -0.060 -3.961) 4.323 4.941 ( 2.506 -4.212 9.507) 10.696 5.213 ( -3.860 -5.761 -3.222) 7.647 5.581 ( -0.805 -1.797 -3.923) 4.390 5.650 ( -3.106 -4.734 -1.006) 5.751 6.186 ( 10.514 -2.512 -14.713) 18.257 6.370 ( -3.985 -0.109 4.812) 6.249 7.107 ( 0.462 -21.553 9.474) 23.548 7.432 ( -1.033 15.260 3.508) 15.692 7.828 ( -10.731 1.639 6.163) 12.482 8.094 ( 9.606 -18.546 -0.695) 20.898 9.454 ( -17.770 13.134 1.847) 22.174 9.711 ( 18.711 -1.978 -2.083) 18.930 10.195 ( 0.468 19.566 -1.002) 19.597 11.070 ( -4.940 -21.785 1.837) 22.413 11.759 ( -0.840 0.731 -0.707) 1.319 11.998 ( 4.408 -1.406 -1.202) 4.780 14.349 ( -1.827 22.295 -2.902) 22.557 14.727 ( 2.982 11.422 -3.016) 12.184 15.474 ( 0.864 -16.941 5.321) 17.778 15.810 ( -2.658 -8.133 -3.854) 9.384 ======================= Grid point 161 (85/172) ======================= q-point: (-0.40 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( 1.433 11.550 -8.303) 14.297 1.633 ( -1.935 5.118 8.876) 10.427 1.928 ( 2.666 -6.024 3.983) 7.698 1.993 ( 2.108 -3.297 -0.185) 3.918 2.353 ( 3.401 2.447 0.108) 4.191 2.541 ( -7.222 -1.052 -0.386) 7.309 2.809 ( 2.274 -2.061 3.447) 4.615 3.053 ( 6.212 10.455 -8.803) 15.013 3.841 ( -0.215 -13.874 8.270) 16.153 4.708 ( 1.098 0.204 -5.629) 5.739 4.890 ( -1.723 -8.651 0.812) 8.858 5.209 ( 2.808 2.368 5.328) 6.471 5.530 ( -3.380 -0.617 -6.507) 7.359 5.613 ( 7.466 -0.397 -4.065) 8.510 6.302 ( 13.423 5.665 -8.765) 17.003 6.363 ( -1.814 -2.736 10.528) 11.028 7.017 ( 6.439 -18.847 1.403) 19.966 7.512 ( -2.943 12.243 -5.073) 13.575 7.788 ( -8.980 6.731 11.664) 16.186 8.084 ( 8.061 -18.896 7.197) 21.768 9.258 ( -18.991 8.229 -0.939) 20.718 9.908 ( 10.780 -2.365 -1.768) 11.177 10.433 ( 5.920 19.907 -1.115) 20.798 10.807 ( -4.360 -19.458 0.633) 19.951 11.653 ( -12.165 3.148 1.129) 12.616 11.983 ( -2.721 -5.842 -1.796) 6.690 14.488 ( 4.971 12.375 -10.886) 17.215 14.955 ( 9.091 14.367 6.403) 18.167 15.315 ( -3.719 -18.893 5.071) 19.912 15.749 ( 0.461 0.795 -0.790) 1.212 ======================= Grid point 162 (86/172) ======================= q-point: (-0.30 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( 1.353 3.061 -6.814) 7.591 1.727 ( -2.807 8.590 6.622) 11.203 1.893 ( -1.634 -8.425 0.104) 8.582 1.940 ( -2.930 -4.992 1.507) 5.981 2.404 ( 0.332 -0.918 -3.533) 3.665 2.590 ( 5.700 8.875 9.606) 14.267 2.857 ( 2.183 4.088 3.183) 5.623 3.231 ( 9.051 12.634 -7.383) 17.206 3.763 ( -1.533 -12.090 6.547) 13.834 4.594 ( -1.735 -7.759 -8.771) 11.838 4.886 ( 0.081 3.416 4.121) 5.354 5.375 ( 6.670 3.637 -1.231) 7.696 5.411 ( -2.344 0.040 0.334) 2.368 5.712 ( 6.121 0.637 -6.142) 8.695 6.373 ( -2.928 -3.325 12.420) 13.187 6.601 ( 13.456 14.651 -7.562) 21.281 7.005 ( 15.223 -17.605 1.925) 23.353 7.533 ( -3.744 13.981 -8.027) 16.550 7.758 ( -8.612 0.483 10.391) 13.505 8.071 ( 1.672 -15.592 7.736) 17.485 9.007 ( -15.098 3.536 -4.288) 16.088 10.027 ( 7.352 -1.706 0.596) 7.570 10.570 ( -1.336 -15.266 2.076) 15.464 10.719 ( 3.739 18.987 -3.567) 19.677 11.508 ( -12.396 8.624 1.394) 15.165 11.799 ( -7.230 -10.411 -1.316) 12.744 14.599 ( 11.585 -1.777 -10.514) 15.746 15.103 ( -8.991 -10.060 4.607) 14.257 15.324 ( 11.189 14.737 9.882) 20.977 15.790 ( 1.298 4.751 -0.743) 4.981 ======================= Grid point 163 (87/172) ======================= q-point: (-0.20 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( -0.616 -3.193 -5.782) 6.634 1.668 ( -12.337 -2.296 5.570) 13.729 1.816 ( -5.378 4.406 0.089) 6.953 1.897 ( 3.275 -2.708 -0.155) 4.252 2.406 ( 3.416 -2.306 -2.934) 5.059 2.712 ( -1.652 1.039 3.396) 3.917 3.129 ( 13.059 16.751 8.951) 23.049 3.463 ( 10.371 12.136 -4.908) 16.701 3.637 ( -5.803 -10.255 3.215) 12.214 4.468 ( -0.116 -3.736 -6.683) 7.657 4.945 ( -0.646 2.601 4.929) 5.610 5.268 ( -3.360 -3.991 -4.743) 7.051 5.630 ( 7.240 6.849 5.839) 11.551 5.715 ( -0.338 -0.644 -5.670) 5.717 6.345 ( -1.533 -8.769 4.858) 10.142 6.735 ( 2.122 -1.007 -0.614) 2.428 7.210 ( 7.773 1.074 -5.835) 9.778 7.625 ( 1.588 13.204 5.669) 14.457 7.705 ( 4.046 1.672 1.737) 4.710 7.876 ( -13.415 -12.227 1.439) 18.208 8.870 ( -0.336 2.551 -4.664) 5.327 10.095 ( 3.771 -6.127 -0.277) 7.200 10.440 ( -1.817 -8.463 3.026) 9.169 10.919 ( 0.977 17.539 -2.045) 17.685 11.442 ( -7.548 9.583 -1.308) 12.268 11.657 ( 1.618 -3.915 2.057) 4.709 14.639 ( 10.501 -19.216 -8.082) 23.342 14.936 ( -10.248 3.296 6.338) 12.492 15.665 ( 6.529 7.973 11.046) 15.107 15.868 ( 3.363 11.652 -5.843) 13.462 ======================= Grid point 164 (88/172) ======================= q-point: (-0.10 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( -2.733 -3.893 -0.138) 4.759 1.516 ( -8.468 1.824 2.101) 8.913 1.767 ( -4.514 3.621 0.228) 5.791 1.957 ( 4.979 -0.732 0.900) 5.112 2.404 ( 2.813 -4.626 -3.393) 6.390 2.674 ( -3.870 -0.749 -0.187) 3.946 3.421 ( -12.769 -1.475 -0.273) 12.857 3.617 ( 20.716 12.810 7.023) 25.349 3.702 ( 8.535 11.086 -2.676) 14.245 4.438 ( 2.861 0.175 -4.338) 5.200 4.971 ( -0.475 -1.221 1.887) 2.297 5.153 ( -4.193 -4.766 0.948) 6.418 5.642 ( -2.431 -2.621 -2.635) 4.441 5.762 ( 0.188 -1.264 6.278) 6.407 6.235 ( 0.880 -13.786 -2.143) 13.979 6.729 ( -1.547 -3.416 1.817) 4.167 7.112 ( -8.369 7.375 -17.624) 20.857 7.470 ( -14.285 -11.983 -4.345) 19.145 7.681 ( -2.189 -4.745 20.278) 20.941 8.190 ( 22.482 22.386 -0.378) 31.728 8.951 ( 7.803 5.490 -3.789) 10.265 9.998 ( -2.808 -12.037 -4.606) 13.191 10.388 ( -2.837 -2.815 4.880) 6.308 11.040 ( -2.068 12.735 0.312) 12.906 11.450 ( -0.362 11.536 -2.503) 11.810 11.802 ( 10.809 3.392 3.353) 11.814 14.457 ( -5.612 -16.341 -2.327) 17.434 14.916 ( -0.868 -1.028 3.605) 3.848 15.764 ( -1.526 1.216 1.430) 2.419 16.080 ( 8.019 15.098 -3.040) 17.363 ======================= Grid point 168 (89/172) ======================= q-point: ( 0.20 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( 1.772 1.050 -4.194) 4.673 1.634 ( 1.940 -1.046 6.498) 6.861 1.820 ( -1.606 5.134 2.663) 6.003 1.975 ( 6.877 -10.389 -2.472) 12.701 2.374 ( -2.949 5.727 1.449) 6.603 2.640 ( -1.629 5.876 2.749) 6.689 3.046 ( -7.816 9.772 -10.253) 16.178 3.588 ( -11.631 -13.859 -15.898) 24.085 4.109 ( 7.259 -13.394 5.239) 16.110 4.701 ( 1.104 5.469 -3.944) 6.832 4.771 ( -1.783 -10.067 1.200) 10.293 5.093 ( 7.663 5.105 3.964) 10.025 5.509 ( 4.960 3.738 -0.888) 6.274 5.783 ( 5.751 -4.152 -0.497) 7.111 6.078 ( 7.510 7.437 -1.561) 10.684 6.617 ( -10.287 6.321 4.926) 13.040 6.881 ( 1.713 15.737 -12.680) 20.282 7.375 ( 8.059 6.967 -3.870) 11.334 7.870 ( -2.183 -13.088 17.823) 22.220 8.669 ( -5.612 -20.775 4.140) 21.914 9.141 ( -6.034 -8.931 -1.948) 10.953 9.763 ( 2.835 18.261 0.430) 18.485 10.283 ( -4.579 3.385 0.444) 5.711 11.085 ( 7.274 -7.220 -8.088) 13.056 11.746 ( -1.016 -7.086 2.599) 7.616 11.863 ( -4.972 -10.534 -1.600) 11.758 14.238 ( 3.064 10.906 -0.051) 11.328 14.847 ( -9.140 9.091 6.007) 14.222 15.601 ( -0.831 -1.569 -9.631) 9.793 16.244 ( -2.116 -5.361 -6.311) 8.547 ======================= Grid point 169 (90/172) ======================= q-point: ( 0.30 0.60 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( 3.383 7.786 -8.302) 11.874 1.686 ( 1.200 -1.192 4.762) 5.053 1.885 ( -1.028 6.150 4.446) 7.658 1.977 ( 5.675 -10.976 1.812) 12.488 2.391 ( -1.815 5.408 0.854) 5.768 2.663 ( -1.705 0.404 0.343) 1.785 2.959 ( -7.443 14.019 -11.226) 19.441 3.157 ( -10.056 -15.941 -12.844) 22.808 4.122 ( 3.396 -14.470 8.523) 17.134 4.689 ( 0.771 -4.711 -2.534) 5.405 4.743 ( 1.149 1.635 1.888) 2.749 5.277 ( 8.893 2.762 0.075) 9.313 5.609 ( 4.032 2.198 -2.152) 5.072 5.816 ( 2.347 -3.464 -2.100) 4.682 6.212 ( 0.448 2.948 1.761) 3.463 6.522 ( -11.102 10.132 0.158) 15.031 7.060 ( 6.472 19.243 -3.288) 20.567 7.497 ( 6.879 -7.406 -6.936) 12.259 7.860 ( 0.972 -6.567 8.779) 11.006 8.325 ( -11.487 -24.977 10.844) 29.553 9.005 ( 0.110 -4.763 -3.727) 6.049 9.916 ( -3.091 12.819 2.258) 13.378 10.252 ( -6.804 9.741 0.332) 11.886 11.102 ( 11.080 -9.856 -8.142) 16.917 11.639 ( -5.678 -11.903 -2.686) 13.458 11.724 ( 4.861 -8.902 4.793) 11.218 14.392 ( -1.349 18.492 -0.102) 18.541 14.844 ( -9.193 13.682 4.593) 17.112 15.496 ( 0.771 -8.039 -8.153) 11.476 16.091 ( -2.771 -9.748 -5.607) 11.582 ======================= Grid point 170 (91/172) ======================= q-point: ( 0.40 0.60 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.304 ( 1.610 12.278 -10.565) 16.277 1.720 ( 1.736 -1.234 2.209) 3.069 1.923 ( 0.425 -2.026 2.504) 3.249 1.946 ( -4.033 -5.331 4.259) 7.926 2.468 ( 4.320 5.069 3.470) 7.510 2.564 ( -4.655 -7.477 -3.675) 9.544 2.870 ( -5.500 -5.592 -2.577) 8.256 2.931 ( -3.297 13.741 -11.324) 18.108 4.052 ( -2.361 -15.166 9.272) 17.932 4.661 ( 0.491 0.976 -3.894) 4.045 4.806 ( 3.866 -1.065 4.583) 6.090 5.399 ( 2.863 -1.904 -3.566) 4.953 5.579 ( -3.094 -5.905 2.556) 7.140 5.811 ( 0.364 4.731 -3.202) 5.725 6.125 ( -9.352 -5.311 0.432) 10.763 6.504 ( -5.343 15.549 -5.553) 17.354 7.300 ( -8.656 -23.590 10.638) 27.287 7.352 ( 6.771 16.985 -1.487) 18.345 7.835 ( 2.378 -9.203 -6.223) 11.361 8.111 ( -3.250 -12.919 12.004) 17.932 9.064 ( 13.334 0.267 -3.279) 13.734 9.929 ( -9.366 8.849 2.089) 13.053 10.268 ( -4.850 14.047 0.031) 14.861 11.085 ( 6.436 -19.349 -4.830) 20.956 11.537 ( 5.211 0.550 -4.115) 6.662 11.793 ( 7.920 -6.499 5.035) 11.416 14.515 ( -5.237 20.983 -3.473) 21.904 14.859 ( -9.563 14.919 5.126) 18.447 15.381 ( 3.590 -15.679 -2.260) 16.243 15.915 ( -3.416 -9.166 -4.557) 10.791 ======================= Grid point 171 (92/172) ======================= q-point: (-0.50 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( 0.886 9.888 -8.377) 12.989 1.752 ( -0.085 0.960 3.285) 3.424 1.814 ( -3.661 -10.337 1.097) 11.021 1.924 ( 1.516 -0.283 -0.845) 1.758 2.405 ( -3.569 -4.631 -1.760) 6.106 2.641 ( 3.964 5.316 6.900) 9.570 2.775 ( -2.980 -1.896 3.199) 4.765 2.959 ( -0.835 13.604 -8.570) 16.100 3.914 ( -4.309 -14.263 8.625) 17.216 4.668 ( 0.687 3.863 -4.126) 5.694 4.885 ( 4.003 -5.430 2.980) 7.374 5.245 ( -7.091 -5.234 1.276) 8.905 5.583 ( 0.763 0.838 -0.879) 1.434 5.774 ( -14.075 1.725 4.108) 14.763 5.954 ( 3.530 -1.192 -11.676) 12.256 6.516 ( -6.077 13.041 -2.344) 14.577 7.019 ( -5.893 -20.279 9.374) 23.104 7.561 ( 0.398 8.402 0.335) 8.418 7.715 ( 7.234 -16.935 -5.628) 19.256 8.117 ( -3.742 2.953 17.133) 17.784 9.321 ( 21.554 -4.169 -4.949) 22.505 9.827 ( -14.291 9.376 0.020) 17.093 10.355 ( -0.863 15.510 -1.182) 15.579 10.905 ( -0.247 -22.270 -1.120) 22.299 11.690 ( 9.788 2.646 -1.823) 10.302 11.908 ( 6.406 0.230 2.193) 6.775 14.533 ( -6.901 13.313 -11.279) 18.763 14.908 ( -6.513 15.460 9.436) 19.247 15.303 ( 4.431 -17.324 4.655) 18.478 15.779 ( -2.311 -3.369 -2.628) 4.858 ======================= Grid point 172 (93/172) ======================= q-point: (-0.40 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( 1.672 1.285 -6.400) 6.739 1.690 ( 3.769 -14.246 -0.961) 14.768 1.806 ( -0.053 4.935 4.088) 6.409 1.980 ( 2.700 5.499 -1.229) 6.248 2.365 ( -0.481 3.213 2.262) 3.958 2.674 ( -6.312 4.317 3.299) 8.328 2.838 ( 2.000 0.648 11.662) 11.850 3.039 ( 1.719 12.602 -6.063) 14.090 3.795 ( -2.290 -11.264 7.552) 13.753 4.665 ( -2.308 0.316 -6.142) 6.569 4.833 ( 1.461 -6.522 -0.525) 6.704 5.246 ( 1.690 3.486 5.230) 6.509 5.552 ( -3.666 1.240 -2.925) 4.851 5.589 ( -7.416 1.736 0.631) 7.643 6.041 ( 12.258 5.913 -10.153) 16.979 6.537 ( -5.577 8.710 6.721) 12.334 6.856 ( -1.918 -13.214 3.998) 13.938 7.512 ( 1.912 0.199 -15.002) 15.125 7.775 ( 8.976 -13.344 14.305) 21.524 8.196 ( -9.288 8.651 15.538) 20.063 9.537 ( 9.567 -6.291 -5.125) 12.545 9.667 ( -7.473 4.454 -1.724) 8.868 10.497 ( 3.616 8.512 -2.411) 9.557 10.709 ( -1.727 -10.537 0.429) 10.687 11.786 ( 0.365 1.056 1.192) 1.633 11.985 ( -0.980 1.502 -0.179) 1.802 14.416 ( -1.942 -2.493 -13.000) 13.378 15.084 ( 1.116 15.160 11.979) 19.354 15.249 ( -0.255 -7.706 4.658) 9.008 15.759 ( 0.639 2.072 1.304) 2.531 ======================= Grid point 173 (94/172) ======================= q-point: (-0.30 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( 1.982 -3.074 -7.584) 8.419 1.646 ( 9.628 -16.062 -4.386) 19.234 1.891 ( -2.000 10.297 3.357) 11.014 2.042 ( -2.295 4.490 2.363) 5.568 2.436 ( -1.888 5.319 3.207) 6.492 2.697 ( -0.115 7.675 8.793) 11.672 2.941 ( -0.858 4.306 10.761) 11.622 3.166 ( 6.031 9.781 -4.223) 12.243 3.727 ( -1.486 -6.722 4.798) 8.391 4.524 ( -4.128 -3.616 -6.537) 8.536 4.893 ( 5.037 1.681 1.808) 5.609 5.339 ( 1.566 6.247 -1.452) 6.602 5.461 ( -3.088 0.310 -0.694) 3.180 5.617 ( 3.348 4.434 -1.232) 5.691 6.282 ( 15.532 3.293 -8.149) 17.846 6.599 ( -0.679 8.007 5.468) 9.720 6.770 ( 0.931 -6.752 7.712) 10.292 7.491 ( 6.016 -1.091 -9.806) 11.555 7.891 ( 4.224 -7.056 14.809) 16.939 8.157 ( -13.078 5.838 7.481) 16.158 9.298 ( -20.903 1.310 -6.065) 21.804 9.794 ( 15.518 -7.983 -0.100) 17.451 10.458 ( 0.260 -15.862 4.528) 16.498 10.796 ( 4.877 18.661 -6.929) 20.494 11.771 ( -6.618 6.221 2.371) 9.387 11.865 ( -11.261 -3.790 -1.006) 11.924 14.292 ( 6.592 -14.173 -10.731) 18.961 15.166 ( -2.961 -5.868 8.234) 10.536 15.419 ( 5.906 20.492 8.405) 22.922 15.823 ( 1.061 4.665 2.339) 5.325 ======================= Grid point 174 (95/172) ======================= q-point: (-0.20 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( 1.869 -6.737 -8.711) 11.169 1.603 ( 5.943 -12.894 -7.004) 15.831 1.965 ( -3.467 11.666 0.756) 12.194 2.022 ( -7.695 3.336 6.440) 10.575 2.428 ( -5.869 4.082 4.585) 8.493 2.813 ( -1.897 0.341 7.856) 8.089 3.096 ( 8.082 4.541 6.952) 11.588 3.383 ( 10.586 11.960 0.683) 15.987 3.683 ( -3.666 2.940 0.209) 4.704 4.426 ( -2.035 0.792 -3.989) 4.548 4.974 ( 1.714 -0.689 2.906) 3.443 5.268 ( -5.131 0.135 -7.940) 9.454 5.608 ( 7.234 6.752 4.007) 10.675 5.677 ( 2.262 4.190 -3.814) 6.101 6.325 ( -0.954 -9.315 -0.491) 9.377 6.646 ( 4.160 -5.667 1.677) 7.227 7.055 ( 14.694 15.598 6.574) 22.415 7.554 ( 9.622 1.105 -3.172) 10.192 7.896 ( -12.428 -0.870 11.282) 16.808 8.044 ( -8.629 2.308 1.462) 9.051 8.932 ( -14.310 -2.146 -8.378) 16.721 9.914 ( 8.558 -10.341 -0.199) 13.424 10.389 ( 1.622 -10.063 7.395) 12.593 11.000 ( 5.767 17.915 -9.725) 21.184 11.618 ( -10.750 -4.168 -1.833) 11.674 11.764 ( -6.773 12.576 3.999) 14.833 14.216 ( 11.524 -21.033 -7.953) 25.267 15.121 ( -5.742 -0.969 8.779) 10.535 15.744 ( 4.654 10.086 11.953) 16.317 15.904 ( 1.848 12.140 -4.005) 12.916 ======================= Grid point 175 (96/172) ======================= q-point: (-0.10 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( 3.467 -7.463 -6.343) 10.390 1.527 ( 4.130 -8.773 -6.783) 11.834 1.944 ( -10.021 4.355 5.895) 12.415 2.021 ( -4.525 10.627 0.904) 11.585 2.404 ( -5.030 3.134 3.904) 7.097 2.765 ( -5.798 -4.080 4.982) 8.665 3.285 ( 11.276 -10.849 4.026) 16.158 3.660 ( 4.844 16.271 -12.805) 21.264 3.744 ( 1.854 18.734 12.141) 22.401 4.406 ( -0.710 4.228 -3.713) 5.672 4.973 ( -1.158 -3.167 0.346) 3.390 5.153 ( -1.688 -3.291 -2.451) 4.437 5.623 ( -1.546 -2.767 -3.007) 4.369 5.773 ( -0.086 0.062 -1.340) 1.344 6.184 ( -5.446 -6.626 2.169) 8.847 6.714 ( 4.222 -2.021 7.003) 8.423 7.226 ( -6.856 6.376 -5.404) 10.810 7.603 ( -16.707 -13.468 5.785) 22.226 7.829 ( -0.958 4.312 1.036) 4.537 8.054 ( 13.289 17.373 6.408) 22.792 8.817 ( 6.948 2.731 -8.393) 11.233 9.867 ( 1.333 -13.713 -2.159) 13.946 10.392 ( 0.854 -6.182 6.193) 8.792 11.153 ( 0.978 13.896 -9.110) 16.645 11.509 ( 1.248 3.622 -1.628) 4.163 11.845 ( -2.644 13.552 4.731) 14.596 14.152 ( 11.279 -22.525 -5.524) 25.790 15.073 ( -7.977 -0.211 10.144) 12.907 15.822 ( -2.876 -0.299 3.187) 4.303 16.112 ( 5.101 17.817 -2.529) 18.705 ======================= Grid point 178 (97/172) ======================= q-point: ( 0.20 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( 6.119 -3.368 1.108) 7.072 1.499 ( 16.095 -7.376 2.512) 17.882 1.847 ( -9.228 2.092 3.692) 10.157 2.038 ( -8.943 4.099 0.041) 9.838 2.554 ( -8.518 8.609 2.344) 12.336 2.766 ( -1.297 5.550 6.986) 9.016 3.113 ( 0.041 3.679 -7.087) 7.985 3.556 ( -10.110 -9.813 -15.840) 21.200 3.945 ( -0.687 -6.579 -2.465) 7.059 4.639 ( -2.474 -3.064 -10.665) 11.368 4.849 ( -3.663 4.534 5.328) 7.896 5.067 ( 2.460 0.454 5.663) 6.190 5.479 ( 4.048 8.214 -0.363) 9.165 5.699 ( -0.523 -5.645 0.740) 5.717 6.061 ( 7.053 15.687 -0.735) 17.215 6.754 ( 2.084 2.150 -3.873) 4.895 6.947 ( -3.946 12.742 -3.981) 13.920 7.427 ( -7.249 7.967 -0.757) 10.798 7.905 ( -0.802 -11.634 16.487) 20.194 8.555 ( -0.887 -10.676 -6.854) 12.717 9.108 ( -4.948 -15.987 -0.117) 16.735 9.817 ( 9.083 15.063 -2.039) 17.707 10.376 ( 0.767 4.511 7.429) 8.725 10.859 ( 3.201 -8.564 -10.199) 13.697 11.727 ( -5.344 -12.557 4.277) 14.301 11.900 ( -7.486 -1.346 -2.852) 8.124 14.094 ( 19.328 0.842 -0.656) 19.358 15.141 ( -8.702 7.569 9.191) 14.748 15.613 ( -7.572 4.539 -7.144) 11.357 16.217 ( -4.747 -3.375 -8.664) 10.440 ======================= Grid point 179 (98/172) ======================= q-point: ( 0.30 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( 4.248 3.112 0.907) 5.343 1.676 ( 6.821 -5.506 7.321) 11.421 1.797 ( 1.917 -2.193 0.784) 3.016 1.987 ( -2.896 4.063 2.139) 5.428 2.482 ( -6.082 1.422 -2.907) 6.889 2.808 ( -7.994 7.617 7.488) 13.341 3.055 ( -5.192 -2.066 -12.637) 13.818 3.204 ( -11.463 6.437 -10.394) 16.759 3.934 ( 7.667 -13.251 4.079) 15.843 4.560 ( 4.628 -3.315 -8.596) 10.310 4.830 ( -5.282 2.396 6.757) 8.905 5.189 ( 5.980 2.841 0.180) 6.623 5.576 ( 1.824 3.996 -0.953) 4.495 5.724 ( 4.962 0.818 -2.221) 5.498 6.280 ( 2.310 9.532 3.138) 10.298 6.752 ( -5.692 3.823 -0.689) 6.891 7.057 ( 6.888 14.392 -4.983) 16.715 7.368 ( -2.195 0.992 -3.983) 4.655 7.915 ( -3.141 -2.511 10.120) 10.889 8.294 ( -6.917 -23.485 1.581) 24.533 8.921 ( -0.765 -8.886 -4.745) 10.103 10.009 ( 4.123 6.645 0.104) 7.821 10.474 ( -5.544 11.580 7.228) 14.733 10.801 ( 7.735 -9.140 -8.710) 14.806 11.560 ( -4.734 -12.271 0.540) 13.163 11.724 ( -5.745 -4.042 0.895) 7.081 14.412 ( 14.605 8.794 -0.907) 17.072 15.142 ( -6.456 4.783 8.900) 11.990 15.460 ( -10.486 4.727 -7.922) 13.967 16.039 ( -4.621 -6.305 -7.096) 10.557 ======================= Grid point 180 (99/172) ======================= q-point: ( 0.40 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( 3.006 6.614 -1.920) 7.515 1.705 ( 0.167 -3.245 3.575) 4.831 1.846 ( 4.386 -5.523 2.242) 7.400 1.986 ( -2.464 -2.590 -0.822) 3.668 2.399 ( 1.190 -1.814 -2.030) 2.971 2.691 ( -10.301 -0.935 1.970) 10.529 2.921 ( -5.023 4.439 1.115) 6.795 3.133 ( -9.029 19.617 -9.701) 23.674 3.943 ( 4.927 -15.718 6.076) 17.557 4.581 ( 5.780 -0.718 -7.139) 9.213 4.834 ( -2.476 2.759 5.720) 6.816 5.298 ( 5.585 0.372 -1.492) 5.793 5.596 ( -1.196 -2.431 2.930) 3.991 5.789 ( 2.743 6.314 -7.563) 10.227 6.309 ( -8.731 0.103 8.374) 12.098 6.698 ( -4.698 9.039 -5.141) 11.411 7.238 ( 4.544 -11.398 3.676) 12.809 7.348 ( 0.367 13.323 -4.248) 13.988 7.831 ( -9.203 -2.083 -3.501) 10.064 8.052 ( 1.215 -17.308 9.824) 19.939 8.886 ( 5.827 -2.244 -3.330) 7.077 10.088 ( -0.976 3.629 2.201) 4.356 10.497 ( -7.985 11.323 2.229) 14.033 10.792 ( 6.538 -10.413 -5.802) 13.596 11.404 ( 1.438 -6.629 -2.617) 7.270 11.711 ( 3.412 -0.377 3.705) 5.051 14.686 ( 5.168 15.860 -2.365) 16.847 15.107 ( -0.027 -12.891 3.607) 13.386 15.298 ( -13.743 12.021 1.371) 18.311 15.876 ( -3.605 -5.019 -5.134) 8.034 ======================= Grid point 181 (100/172) ======================= q-point: (-0.50 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( 0.056 0.498 -3.669) 3.703 1.678 ( -0.568 -11.798 -2.167) 12.009 1.798 ( 0.814 -3.739 -1.686) 4.181 1.937 ( -0.717 3.221 1.892) 3.804 2.430 ( -1.016 2.217 1.600) 2.916 2.657 ( 3.787 -1.252 9.139) 9.972 2.898 ( -7.083 7.471 3.142) 10.763 3.125 ( -7.008 19.036 -7.349) 21.575 3.883 ( -0.249 -13.162 6.219) 14.560 4.617 ( 4.766 -0.966 -4.816) 6.844 4.856 ( -2.232 3.123 -0.011) 3.838 5.301 ( -2.013 -4.469 1.453) 5.112 5.585 ( -0.612 0.760 2.772) 2.938 5.831 ( 2.775 6.451 -10.206) 12.388 6.161 ( -18.178 3.302 10.637) 21.319 6.685 ( -1.525 7.925 -9.497) 12.463 7.093 ( -11.671 -6.673 10.205) 16.878 7.451 ( 3.044 -7.992 -0.475) 8.565 7.608 ( -3.665 -2.668 -4.302) 6.250 8.197 ( 11.831 1.312 13.459) 17.968 8.964 ( 9.937 -4.227 -6.056) 12.381 10.073 ( -7.297 4.795 0.618) 8.753 10.480 ( -3.184 3.724 -1.658) 5.172 10.717 ( 0.523 -8.702 -2.204) 8.993 11.487 ( 12.661 -1.866 -0.613) 12.813 11.847 ( 7.046 6.365 1.657) 9.639 14.687 ( -12.238 2.069 -10.845) 16.482 15.080 ( 10.376 -11.042 6.294) 16.407 15.286 ( -11.062 16.928 10.793) 22.922 15.776 ( -1.794 -0.856 -2.589) 3.264 ======================= Grid point 182 (101/172) ======================= q-point: (-0.40 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( 0.713 -10.045 -4.033) 10.848 1.467 ( -0.744 -16.953 -6.444) 18.152 1.882 ( 3.744 6.306 3.438) 8.099 2.009 ( 1.367 8.895 0.637) 9.022 2.446 ( -1.944 5.541 3.478) 6.825 2.814 ( 4.729 -1.342 10.478) 11.573 2.889 ( -4.160 5.816 6.743) 9.828 3.160 ( -4.191 15.794 -4.018) 16.828 3.805 ( -2.691 -6.254 6.330) 9.297 4.659 ( 4.791 -1.204 -2.401) 5.493 4.769 ( -6.599 -0.501 -5.559) 8.643 5.291 ( 1.107 2.341 3.908) 4.688 5.579 ( -2.681 1.666 -2.907) 4.291 5.856 ( -2.322 4.550 -4.460) 6.781 5.994 ( -14.086 12.719 5.960) 19.892 6.653 ( -0.018 2.764 -10.928) 11.272 6.971 ( -12.495 3.910 15.154) 20.027 7.310 ( 3.825 -12.866 -7.536) 15.393 7.671 ( 5.276 -1.742 9.093) 10.656 8.480 ( 0.300 8.547 16.113) 18.242 9.055 ( 20.900 -12.942 -10.020) 26.546 9.935 ( -14.130 3.935 -3.542) 15.089 10.421 ( 0.963 -12.279 1.434) 12.400 10.699 ( 1.192 7.282 -3.560) 8.193 11.679 ( 11.824 -2.004 1.130) 12.045 12.024 ( 3.065 8.693 0.349) 9.224 14.351 ( -9.846 -14.648 -11.161) 20.883 15.187 ( 2.657 -3.185 8.999) 9.909 15.393 ( -4.929 18.982 9.532) 21.806 15.778 ( 1.129 3.244 1.190) 3.635 ======================= Grid point 183 (102/172) ======================= q-point: (-0.30 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( 5.722 -9.601 -6.575) 12.968 1.296 ( 5.662 -17.997 -6.111) 19.832 2.018 ( 0.600 8.734 3.460) 9.414 2.136 ( 0.770 10.778 0.965) 10.848 2.544 ( 1.629 9.622 5.055) 10.991 2.824 ( -4.707 -1.597 4.894) 6.976 3.019 ( 4.454 0.504 13.179) 13.921 3.218 ( -2.432 10.983 0.303) 11.253 3.785 ( -3.075 3.999 5.186) 7.235 4.595 ( -7.869 2.418 -2.454) 8.590 4.781 ( 9.003 0.608 -0.781) 9.057 5.395 ( 3.376 7.369 1.080) 8.177 5.486 ( -5.658 1.236 -7.166) 9.213 5.778 ( -13.048 10.381 6.204) 17.791 6.065 ( 7.649 6.793 -8.589) 13.357 6.599 ( -0.451 -0.029 -6.597) 6.612 6.951 ( -4.963 6.698 9.563) 12.687 7.316 ( 6.064 -4.323 5.698) 9.377 7.819 ( 7.446 -0.640 7.527) 10.608 8.493 ( -14.225 5.622 6.133) 16.479 9.297 ( 23.854 -10.944 -2.025) 26.323 9.658 ( -16.568 -0.766 -5.251) 17.396 10.335 ( 1.435 -14.917 6.561) 16.359 10.807 ( 4.780 12.523 -9.028) 16.161 11.828 ( 5.735 1.673 2.100) 6.332 12.037 ( -9.230 3.316 -0.486) 9.819 14.012 ( -1.432 -21.558 -9.922) 23.775 15.231 ( -1.761 -0.539 8.629) 8.823 15.598 ( 1.284 17.406 9.286) 19.770 15.865 ( 1.928 5.447 3.115) 6.564 ======================= Grid point 184 (103/172) ======================= q-point: (-0.20 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( 2.190 -9.830 -10.177) 14.318 1.274 ( 12.186 -14.924 -7.033) 20.511 2.101 ( -0.793 6.169 1.345) 6.363 2.203 ( -5.110 9.138 2.480) 10.759 2.659 ( -6.470 8.158 8.430) 13.397 2.766 ( 3.001 -8.752 0.206) 9.255 3.170 ( -1.585 1.599 15.748) 15.908 3.334 ( 7.683 12.168 -3.420) 14.791 3.855 ( -3.786 15.488 5.545) 16.880 4.514 ( -6.023 4.492 1.352) 7.634 4.926 ( 4.917 1.663 0.671) 5.234 5.334 ( -7.758 1.781 -8.538) 11.672 5.583 ( 7.554 8.974 2.224) 11.939 5.722 ( -6.166 8.721 -1.546) 10.792 6.165 ( 8.141 -3.452 -5.749) 10.547 6.569 ( 1.173 -1.200 0.414) 1.728 7.133 ( 8.335 17.121 4.054) 19.469 7.423 ( 2.857 -4.933 13.578) 14.726 7.985 ( 5.954 4.544 0.988) 7.555 8.306 ( -15.830 3.710 3.087) 16.549 9.161 ( -22.741 -4.928 -8.421) 24.746 9.640 ( 14.304 -10.168 3.250) 17.847 10.307 ( 3.877 -11.090 10.176) 15.542 10.937 ( 7.471 11.783 -14.494) 20.118 11.784 ( -15.490 -2.964 -0.599) 15.783 11.967 ( 0.039 9.920 1.382) 10.015 13.791 ( 7.850 -24.751 -7.753) 27.099 15.250 ( -3.403 0.644 9.264) 9.890 15.839 ( 2.978 4.072 14.241) 15.108 15.972 ( 2.023 15.058 -4.075) 15.731 ======================= Grid point 185 (104/172) ======================= q-point: (-0.10 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( 4.788 -9.426 -9.352) 14.115 1.245 ( 8.584 -13.410 -10.123) 18.868 2.125 ( -1.042 -0.692 1.553) 1.994 2.216 ( -6.488 13.004 2.020) 14.673 2.644 ( -9.950 6.942 9.748) 15.563 2.723 ( 2.255 -11.280 -0.267) 11.506 3.203 ( -3.425 -1.835 10.245) 10.958 3.588 ( 10.440 13.822 -9.309) 19.665 4.030 ( -2.686 23.269 8.447) 24.900 4.492 ( -4.165 6.088 0.724) 7.412 4.957 ( -0.851 -0.538 0.195) 1.025 5.157 ( -6.470 -2.094 -7.136) 9.857 5.628 ( -2.921 1.208 -1.767) 3.621 5.773 ( -1.462 2.843 -4.925) 5.872 6.233 ( 1.671 1.950 5.162) 5.765 6.657 ( 7.162 0.844 6.898) 9.980 7.383 ( -5.663 4.852 7.355) 10.474 7.590 ( 16.079 1.622 2.604) 16.369 7.955 ( -15.998 2.065 -4.258) 16.684 8.221 ( -4.938 12.968 7.415) 15.734 8.736 ( -7.778 -4.309 -9.295) 12.864 9.689 ( 4.088 -14.331 2.271) 15.075 10.357 ( 2.094 -6.985 9.331) 11.843 11.093 ( 10.563 12.841 -17.817) 24.370 11.540 ( -6.882 -2.064 -1.971) 7.450 12.072 ( -3.668 12.664 4.047) 13.792 13.688 ( 13.506 -25.491 -5.292) 29.330 15.254 ( -5.513 0.334 10.990) 12.300 15.889 ( -3.355 -4.369 8.526) 10.151 16.182 ( 4.861 18.774 -5.220) 20.083 ======================= Grid point 188 (105/172) ======================= q-point: ( 0.20 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( 11.683 -5.194 5.096) 13.764 1.171 ( 19.088 -3.461 3.081) 19.642 2.088 ( -8.270 3.125 2.269) 9.127 2.231 ( -12.268 1.191 -0.650) 12.343 2.707 ( 8.619 1.522 2.226) 9.030 2.801 ( -5.991 0.566 -0.313) 6.026 3.185 ( -5.834 8.827 7.315) 12.863 3.488 ( -4.796 -6.753 -14.653) 16.832 4.034 ( -15.596 4.104 -9.970) 18.960 4.630 ( -7.142 -5.437 -8.169) 12.137 4.913 ( 0.991 5.897 1.023) 6.067 5.149 ( -5.201 -4.287 9.634) 11.758 5.576 ( -2.825 13.267 2.329) 13.763 5.701 ( -8.527 -8.293 0.518) 11.906 6.109 ( 4.662 15.728 -1.169) 16.446 6.671 ( 2.212 1.237 -8.005) 8.396 7.118 ( -2.481 15.291 0.744) 15.509 7.660 ( -12.731 -0.241 -3.609) 13.235 7.893 ( 4.168 0.364 11.477) 12.216 8.451 ( -5.480 -6.500 -12.074) 14.767 9.017 ( -4.416 -22.941 5.074) 23.907 9.731 ( 11.757 8.869 -5.893) 15.862 10.421 ( 7.982 6.603 5.690) 11.819 10.735 ( -2.230 -3.081 -1.595) 4.124 11.715 ( -5.188 -16.261 5.207) 17.845 12.026 ( -7.034 7.073 -3.883) 10.705 13.694 ( 27.002 -4.727 1.761) 27.469 15.337 ( -5.729 2.644 0.742) 6.353 15.840 ( -11.464 11.032 5.123) 16.714 16.172 ( -2.167 -4.473 -13.893) 14.756 ======================= Grid point 189 (106/172) ======================= q-point: ( 0.30 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.128 ( 9.305 -1.172 6.248) 11.269 1.459 ( 15.807 -3.403 6.844) 17.558 1.944 ( -12.802 2.970 2.430) 13.365 2.084 ( -6.176 -0.196 -0.674) 6.216 2.569 ( -10.198 -3.515 -7.122) 12.926 2.942 ( 7.565 -0.365 -2.193) 7.885 3.162 ( -15.379 6.649 2.715) 16.973 3.320 ( 0.407 7.637 -3.040) 8.230 3.810 ( -6.267 -1.480 -6.767) 9.341 4.441 ( -1.944 -3.981 -5.245) 6.866 4.973 ( -2.422 0.711 3.794) 4.557 5.135 ( 2.422 0.006 3.692) 4.415 5.609 ( -1.377 -0.114 1.908) 2.355 5.676 ( 1.878 7.464 -1.135) 7.780 6.291 ( 5.730 3.779 -0.041) 6.864 6.732 ( 5.808 3.107 -5.255) 8.426 7.164 ( -8.181 12.885 -3.498) 15.658 7.500 ( -6.311 6.893 1.624) 9.485 8.005 ( -0.119 1.263 5.540) 5.684 8.147 ( -5.953 -19.368 -8.795) 22.088 8.813 ( -0.922 -13.415 0.663) 13.463 9.917 ( 10.274 0.444 -1.374) 10.375 10.555 ( 7.272 -3.478 -7.655) 11.117 10.759 ( -6.247 11.846 12.855) 18.563 11.556 ( -3.974 -9.982 3.930) 11.440 11.852 ( -13.262 1.559 -4.264) 14.017 14.115 ( 25.593 0.181 1.914) 25.665 15.251 ( -5.404 -1.053 -3.220) 6.378 15.776 ( -14.486 13.386 4.385) 20.205 16.001 ( -3.371 -4.709 -9.522) 11.145 ======================= Grid point 190 (107/172) ======================= q-point: ( 0.40 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( 5.864 1.115 4.052) 7.214 1.651 ( 5.790 -6.717 5.343) 10.353 1.816 ( -5.502 0.129 0.525) 5.529 1.982 ( -3.209 -2.924 -5.167) 6.749 2.383 ( -2.017 -1.142 -2.002) 3.063 2.798 ( -7.932 -5.999 -5.001) 11.132 3.176 ( -8.941 16.167 8.447) 20.314 3.397 ( -6.007 18.698 -5.455) 20.383 3.718 ( 6.103 -12.538 -0.493) 13.953 4.426 ( 5.457 -1.498 -3.373) 6.588 4.952 ( -3.423 1.094 4.741) 5.949 5.215 ( 4.416 0.099 -0.698) 4.471 5.616 ( -0.375 -0.863 3.893) 4.006 5.764 ( 2.482 7.975 -6.014) 10.292 6.357 ( 5.349 -7.152 3.211) 9.491 6.767 ( -2.232 1.416 -3.233) 4.176 7.106 ( -0.993 -4.950 2.145) 5.485 7.571 ( -5.706 19.038 3.295) 20.146 7.885 ( 0.402 -18.936 0.383) 18.944 7.941 ( -6.076 2.044 -10.324) 12.153 8.788 ( 3.736 -0.107 2.027) 4.252 10.052 ( 7.269 -2.887 2.772) 8.298 10.553 ( 3.767 -5.599 -6.814) 9.590 10.823 ( -8.947 12.481 7.099) 16.918 11.409 ( -8.187 -4.505 1.727) 9.503 11.708 ( -1.731 3.483 -2.540) 4.645 14.521 ( 22.088 0.459 3.156) 22.317 15.078 ( -8.572 -5.798 -6.747) 12.354 15.705 ( -13.790 12.302 8.237) 20.232 15.863 ( -3.691 -0.291 -6.935) 7.861 ======================= Grid point 191 (108/172) ======================= q-point: (-0.50 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( -1.357 -3.652 0.072) 3.896 1.559 ( -3.476 -13.242 -5.399) 14.717 1.750 ( 1.049 -1.005 -0.111) 1.457 1.970 ( 2.243 4.261 0.476) 4.839 2.454 ( 4.832 2.800 4.638) 7.260 2.658 ( -2.165 -3.288 2.944) 4.916 3.165 ( -12.273 10.102 4.062) 16.406 3.402 ( -9.551 18.936 -5.045) 21.800 3.753 ( 7.751 -7.487 2.941) 11.171 4.491 ( 5.385 -0.937 -2.449) 5.990 4.946 ( -2.947 3.782 -0.524) 4.823 5.245 ( 2.570 -4.851 -0.291) 5.497 5.630 ( -0.524 -0.272 3.962) 4.006 5.805 ( 0.925 6.858 -8.996) 11.349 6.434 ( 3.796 -0.381 6.810) 7.805 6.656 ( -7.496 -1.851 0.361) 7.729 7.083 ( 4.648 -13.038 6.584) 15.328 7.578 ( -6.696 -17.416 1.976) 18.763 7.709 ( -13.723 27.491 -2.577) 30.834 7.975 ( 14.467 -1.479 -4.785) 15.309 8.874 ( 1.160 3.830 0.521) 4.036 10.130 ( 3.097 -3.640 4.147) 6.328 10.459 ( -2.640 -7.525 -5.032) 9.429 10.798 ( -8.625 8.253 -0.278) 11.941 11.337 ( 2.517 -0.206 1.507) 2.941 11.808 ( 6.915 9.373 -1.415) 11.733 14.717 ( -3.581 -21.901 -3.952) 22.541 14.918 ( 7.200 9.863 0.922) 12.247 15.678 ( -9.615 7.597 11.667) 16.920 15.800 ( -3.502 8.326 -4.670) 10.168 ======================= Grid point 192 (109/172) ======================= q-point: (-0.40 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( -5.923 -14.860 -2.458) 16.184 1.330 ( -4.133 -10.948 -7.861) 14.098 1.863 ( 7.546 5.717 3.306) 10.028 2.068 ( 2.281 7.380 1.021) 7.791 2.556 ( -0.726 5.911 4.420) 7.417 2.724 ( 7.918 -5.598 10.153) 14.039 3.077 ( -7.626 2.353 3.125) 8.571 3.392 ( -8.291 16.599 -3.733) 18.926 3.842 ( 1.432 4.385 5.163) 6.924 4.542 ( 4.337 -1.105 -1.445) 4.703 4.882 ( -7.046 4.715 -6.089) 10.438 5.246 ( 4.491 -4.842 0.333) 6.613 5.636 ( -1.563 2.011 -0.308) 2.566 5.827 ( 2.149 5.865 -8.413) 10.479 6.493 ( -11.556 10.535 11.214) 19.243 6.570 ( -1.744 0.234 0.464) 1.820 7.077 ( 5.127 -15.117 -2.461) 16.151 7.330 ( -10.240 -0.699 11.274) 15.246 7.771 ( -8.383 19.024 2.071) 20.892 8.259 ( 29.113 -8.663 -1.744) 30.424 8.864 ( -5.999 3.837 -1.973) 7.389 10.105 ( -6.777 -0.499 -2.748) 7.330 10.316 ( -0.637 -13.106 4.691) 13.935 10.740 ( -3.127 6.750 -6.023) 9.571 11.468 ( 11.011 -0.786 1.339) 11.120 12.033 ( 7.724 12.224 -1.054) 14.498 14.298 ( -13.023 -23.083 -8.111) 27.717 15.158 ( 7.768 3.328 6.742) 10.811 15.698 ( -3.921 3.203 12.399) 13.393 15.840 ( -3.535 16.393 -1.905) 16.878 ======================= Grid point 193 (110/172) ======================= q-point: (-0.30 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( 1.186 -19.214 -2.413) 19.401 1.118 ( -2.886 -11.015 -8.407) 14.154 2.074 ( 4.484 6.758 4.133) 9.103 2.207 ( 4.434 11.333 0.905) 12.203 2.630 ( -0.240 5.947 2.155) 6.330 2.820 ( 2.534 -8.895 7.008) 11.604 3.063 ( 1.279 0.530 10.147) 10.241 3.396 ( -5.874 12.353 -1.340) 13.744 3.953 ( -2.440 13.193 6.963) 15.116 4.601 ( 4.698 -3.026 0.661) 5.628 4.796 ( -4.983 11.184 -3.769) 12.811 5.303 ( 7.561 -1.944 -4.193) 8.861 5.608 ( -5.306 7.156 -3.658) 9.630 5.871 ( 5.227 3.331 -8.413) 10.449 6.395 ( -23.122 15.548 6.739) 28.667 6.612 ( -1.968 8.841 4.893) 10.294 6.926 ( 1.753 -10.095 -7.994) 12.996 7.431 ( 0.304 2.312 24.909) 25.018 7.824 ( -2.829 12.947 -1.146) 13.302 8.616 ( 22.178 -16.446 -12.350) 30.246 8.822 ( 3.135 9.213 9.681) 13.727 9.871 ( -14.841 -0.956 -8.531) 17.145 10.252 ( -0.507 -13.810 11.625) 18.059 10.762 ( 3.913 6.981 -9.332) 12.294 11.661 ( 13.829 -1.370 0.163) 13.898 12.187 ( -2.214 7.919 -0.313) 8.228 13.817 ( -9.847 -26.768 -8.385) 29.728 15.301 ( 1.513 1.931 7.330) 7.729 15.784 ( 0.559 0.160 15.860) 15.870 15.945 ( -1.980 18.758 -3.263) 19.142 ======================= Grid point 194 (111/172) ======================= q-point: (-0.20 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.876 ( 12.772 -17.446 -3.227) 21.861 0.925 ( -0.139 -11.307 -10.012) 15.103 2.094 ( -1.197 -11.166 -0.542) 11.243 2.380 ( -1.068 12.814 3.006) 13.205 2.657 ( 2.466 1.167 -3.702) 4.599 2.854 ( -1.286 5.658 7.016) 9.104 3.231 ( 7.302 3.712 10.230) 13.106 3.401 ( -5.058 5.353 2.977) 7.944 4.113 ( -2.338 18.658 8.203) 20.515 4.597 ( -0.579 -5.550 3.625) 6.654 4.935 ( 3.893 16.345 -0.287) 16.805 5.336 ( 1.663 -4.042 -7.768) 8.914 5.622 ( 0.207 15.826 -2.911) 16.093 5.938 ( 5.225 0.542 -4.534) 6.939 6.168 ( -24.389 18.432 0.045) 30.570 6.628 ( -6.591 4.274 4.153) 8.886 6.998 ( 14.514 4.321 -3.032) 15.444 7.587 ( -2.763 -5.147 25.070) 25.742 7.933 ( 4.807 12.924 -6.436) 15.217 8.525 ( -4.957 0.435 -5.859) 7.687 9.199 ( 16.800 -4.711 9.050) 19.655 9.533 ( -15.708 -0.828 -8.699) 17.975 10.205 ( 2.385 -12.903 10.605) 16.871 10.833 ( 4.706 7.057 -11.559) 14.337 11.900 ( 15.329 2.351 0.122) 15.509 12.044 ( -18.477 -0.598 -1.979) 18.592 13.429 ( 0.282 -27.855 -6.721) 28.656 15.363 ( -1.647 2.327 6.972) 7.532 15.908 ( 2.065 -6.051 20.072) 21.066 16.070 ( 0.189 19.722 -7.870) 21.235 ======================= Grid point 195 (112/172) ======================= q-point: (-0.10 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.769 ( 3.781 -11.599 -10.647) 16.192 0.898 ( 10.512 -14.629 -8.723) 20.015 1.930 ( 7.387 -25.623 -0.077) 26.667 2.459 ( -5.888 13.501 2.837) 15.000 2.694 ( -2.068 7.437 -3.568) 8.504 2.896 ( -5.995 5.752 6.666) 10.652 3.357 ( -6.626 -0.643 5.479) 8.622 3.479 ( 10.389 8.887 -0.579) 13.683 4.322 ( -1.384 20.335 7.380) 21.677 4.567 ( -0.371 -4.900 5.037) 7.037 5.079 ( -4.239 13.172 -0.155) 13.838 5.189 ( -6.026 -4.296 -8.664) 11.395 5.750 ( -4.200 9.485 -0.197) 10.376 5.845 ( -10.830 5.835 -4.310) 13.035 6.244 ( 7.744 15.871 4.213) 18.155 6.642 ( 1.210 4.078 6.808) 8.028 7.332 ( 19.668 9.245 -2.687) 21.898 7.563 ( -6.877 -7.575 12.972) 16.521 8.077 ( 2.138 9.892 -8.345) 13.117 8.507 ( -4.811 12.706 8.899) 16.241 8.900 ( -27.563 -9.863 -10.472) 31.091 9.537 ( 4.335 -9.377 9.190) 13.827 10.285 ( 9.179 -7.911 9.593) 15.456 10.893 ( 7.621 8.990 -17.997) 21.512 11.662 ( -16.068 -5.716 -5.739) 17.994 12.172 ( 8.296 7.938 3.185) 11.916 13.212 ( 9.252 -28.011 -4.768) 29.882 15.396 ( -2.808 2.158 7.501) 8.295 15.968 ( -2.740 -9.229 19.489) 21.737 16.219 ( 4.447 17.715 -11.746) 21.716 ======================= Grid point 229 (113/172) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.814 ( 0.000 0.000 19.451) 19.451 0.814 ( 0.000 0.000 19.451) 19.451 1.040 ( 0.000 0.000 20.356) 20.356 2.700 ( -0.000 -0.000 -22.203) 22.203 2.825 ( 0.000 0.000 -9.025) 9.025 2.825 ( 0.000 -0.000 -9.025) 9.025 3.343 ( 0.000 0.000 2.120) 2.120 3.343 ( -0.000 -0.000 2.120) 2.120 4.270 ( -0.000 -0.000 -2.679) 2.679 5.071 ( 0.000 0.000 4.374) 4.374 5.071 ( -0.000 -0.000 4.374) 4.374 5.206 ( -0.000 -0.000 -3.376) 3.376 6.057 ( 0.000 -0.000 -4.385) 4.385 6.057 ( -0.000 -0.000 -4.385) 4.385 6.209 ( 0.000 0.000 3.512) 3.512 7.065 ( -0.000 -0.000 -4.327) 4.327 7.065 ( -0.000 -0.000 -4.327) 4.327 8.243 ( -0.000 -0.000 -22.523) 22.523 8.389 ( 0.000 0.000 1.651) 1.651 8.389 ( 0.000 -0.000 1.651) 1.651 8.925 ( 0.000 0.000 3.458) 3.458 8.925 ( -0.000 -0.000 3.458) 3.458 11.496 ( 0.000 0.000 16.182) 16.182 11.562 ( 0.000 0.000 1.918) 1.918 11.562 ( 0.000 0.000 1.918) 1.918 12.143 ( 0.000 0.000 -1.181) 1.181 12.143 ( 0.000 -0.000 -1.181) 1.181 13.588 ( 0.000 0.000 3.430) 3.430 15.661 ( 0.000 0.000 5.534) 5.534 16.992 ( -0.000 -0.000 -4.855) 4.855 ======================= Grid point 230 (114/172) ======================= q-point: ( 0.30 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( 7.881 -7.394 16.531) 19.750 1.064 ( 0.833 3.414 16.792) 17.156 1.347 ( 15.528 14.721 14.467) 25.828 2.470 ( -6.781 -4.333 -23.964) 25.279 2.640 ( -5.663 -1.888 -12.145) 13.533 2.848 ( 3.023 -0.210 -7.907) 8.468 3.135 ( -10.886 -7.755 3.916) 13.928 3.543 ( 8.004 5.895 -2.662) 10.291 4.287 ( 3.247 0.693 0.233) 3.328 4.945 ( -11.024 3.256 2.676) 11.802 5.101 ( 4.425 -11.484 2.440) 12.546 5.324 ( 4.115 6.129 1.545) 7.542 5.981 ( -4.235 -3.468 -0.355) 5.485 6.083 ( 5.944 -1.347 -4.237) 7.422 6.288 ( 2.038 9.464 -3.921) 10.445 6.863 ( -22.596 0.095 -5.945) 23.365 6.923 ( -8.330 -5.183 -6.468) 11.752 7.884 ( -1.898 -22.554 -13.122) 26.163 8.251 ( -8.257 -7.065 6.797) 12.818 8.607 ( 10.957 -1.415 2.634) 11.357 8.836 ( -7.119 21.699 -1.868) 22.914 9.338 ( 23.792 4.930 0.457) 24.301 10.763 ( -49.794 -3.174 13.087) 51.583 11.511 ( 5.598 -16.500 2.108) 17.551 11.653 ( -3.730 -11.883 0.398) 12.461 12.252 ( 4.380 3.917 -0.906) 5.945 12.608 ( 26.617 17.834 11.543) 34.055 13.918 ( 22.095 15.687 -12.138) 29.692 15.695 ( -0.273 -0.258 5.221) 5.234 16.875 ( -6.703 -4.195 -4.617) 9.156 ======================= Grid point 231 (115/172) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( 12.981 -4.660 11.906) 18.221 1.180 ( 0.386 2.218 9.983) 10.233 1.835 ( 15.033 14.056 7.258) 21.823 2.125 ( -8.065 -5.395 -21.626) 23.704 2.464 ( -4.551 -0.177 -11.252) 12.138 2.793 ( -3.566 -4.779 -3.768) 7.053 2.925 ( -8.064 -6.527 1.619) 10.500 3.654 ( 4.747 4.190 -8.561) 10.648 4.390 ( 6.190 2.141 2.766) 7.110 4.828 ( -11.631 7.262 1.749) 13.823 5.056 ( 3.937 -18.871 2.539) 19.444 5.356 ( -4.556 -0.461 -0.208) 4.584 5.910 ( -6.711 1.373 5.571) 8.830 6.106 ( 3.209 -2.692 -3.121) 5.223 6.351 ( -3.461 7.994 -11.434) 14.375 6.400 ( -22.910 3.198 -0.694) 23.142 6.670 ( -9.231 -6.198 -7.696) 13.522 7.594 ( 4.356 -32.703 -7.144) 33.757 8.143 ( -8.629 1.616 11.543) 14.502 8.786 ( 7.833 5.365 3.693) 10.187 9.000 ( 6.836 13.808 -4.494) 16.050 9.681 ( 10.570 -0.155 4.983) 11.687 10.158 ( -33.726 7.710 5.763) 35.073 11.436 ( 3.133 -19.335 -0.262) 19.589 11.557 ( 3.788 -5.073 0.619) 6.361 12.299 ( -3.105 4.253 -0.833) 5.331 13.233 ( 23.680 11.799 13.207) 29.570 14.251 ( 15.093 14.362 -18.479) 27.848 15.711 ( -0.844 -0.910 3.050) 3.293 16.666 ( -8.506 -6.283 -5.775) 12.049 ======================= Grid point 232 (116/172) ======================= q-point: ( 0.50 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( -1.125 0.450 -3.497) 3.701 1.397 ( 13.257 -0.259 7.161) 15.070 1.801 ( -5.849 -3.571 -5.992) 9.103 2.217 ( 9.123 6.914 -4.932) 12.465 2.386 ( -0.231 5.357 -1.213) 5.498 2.569 ( -11.535 -11.620 1.171) 16.414 2.818 ( -0.225 -1.013 -4.244) 4.369 3.666 ( 2.403 3.271 -14.136) 14.707 4.520 ( 1.687 2.602 3.809) 4.911 4.691 ( -12.964 3.556 -2.131) 13.610 4.910 ( 1.531 -19.064 1.788) 19.209 5.255 ( -7.100 0.397 4.525) 8.429 5.755 ( -18.047 4.430 2.428) 18.741 5.990 ( -5.118 -9.171 -9.036) 13.855 6.238 ( -8.742 -2.660 -1.466) 9.255 6.332 ( 2.325 10.735 3.945) 11.671 6.517 ( 4.884 -3.876 -8.643) 10.658 7.342 ( 2.183 -24.223 -2.487) 24.448 8.151 ( -6.786 6.906 13.805) 16.862 9.000 ( 6.719 7.168 4.132) 10.659 9.190 ( 9.380 4.582 -7.356) 12.771 9.548 ( -20.983 -5.518 10.396) 24.058 10.086 ( 5.138 11.059 -4.211) 12.901 11.301 ( -3.139 -8.654 -1.153) 9.278 11.619 ( 10.715 -9.346 -0.042) 14.218 12.218 ( -10.226 3.836 -1.402) 11.012 13.748 ( 19.411 8.127 7.949) 22.495 14.471 ( 11.040 13.580 -11.345) 20.857 15.682 ( -2.482 -2.096 -0.322) 3.264 16.425 ( -7.289 -6.800 -8.203) 12.910 ======================= Grid point 233 (117/172) ======================= q-point: ( 0.60 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( 0.726 3.524 -7.150) 8.005 1.626 ( 9.069 -0.294 5.024) 10.372 1.753 ( 0.836 0.279 4.270) 4.360 2.188 ( -16.616 -5.043 -3.574) 17.728 2.303 ( 1.696 -0.362 -0.111) 1.738 2.541 ( 7.297 0.019 3.492) 8.090 2.863 ( 7.747 5.756 -7.532) 12.243 3.616 ( 1.361 3.484 -17.886) 18.273 4.362 ( -15.270 -4.271 -1.173) 15.899 4.612 ( -0.325 -2.672 -0.147) 2.696 4.824 ( 0.352 -7.492 0.741) 7.537 5.213 ( -8.161 6.218 9.593) 14.046 5.543 ( -10.750 0.763 -0.277) 10.781 5.813 ( -2.626 -4.118 -5.744) 7.540 5.979 ( -5.615 -8.345 -8.819) 13.377 6.548 ( 10.275 -6.251 -8.594) 14.783 6.617 ( 5.875 12.628 13.851) 19.643 7.204 ( 3.515 -11.857 -1.228) 12.428 8.212 ( -7.645 9.688 13.753) 18.478 8.975 ( -12.399 -9.844 -3.477) 16.209 9.290 ( -0.301 17.017 -1.058) 17.053 9.426 ( 9.322 -13.027 2.240) 16.174 10.243 ( 4.997 7.597 -1.417) 9.203 11.142 ( -7.256 -4.738 -4.405) 9.721 11.715 ( 9.811 -5.832 0.315) 11.418 12.063 ( -10.340 2.889 -1.246) 10.808 14.074 ( 9.820 3.346 1.125) 10.435 14.748 ( 12.077 13.227 2.138) 18.038 15.584 ( -4.162 -2.786 -4.980) 7.063 16.232 ( -1.917 -4.324 -10.102) 11.155 ======================= Grid point 234 (118/172) ======================= q-point: (-0.30 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( -1.635 2.326 1.357) 3.150 1.623 ( -10.934 -11.382 2.438) 15.970 1.862 ( 2.041 4.328 2.780) 5.534 1.945 ( 4.948 2.330 -2.170) 5.884 2.409 ( 9.061 1.885 1.529) 9.381 2.707 ( 7.720 2.541 5.998) 10.101 3.003 ( 6.903 7.461 -8.482) 13.238 3.541 ( 1.537 2.390 -19.344) 19.552 4.081 ( -11.978 -3.898 -3.648) 13.114 4.571 ( 0.316 -1.587 -0.731) 1.776 4.777 ( 1.567 -5.366 -1.070) 5.692 5.231 ( -6.823 10.494 8.659) 15.221 5.411 ( -3.733 -4.004 -0.869) 5.543 5.778 ( 4.471 -3.060 2.776) 6.087 5.855 ( -1.160 2.757 -5.761) 6.491 6.585 ( 7.247 -4.674 -8.125) 11.848 6.867 ( 3.460 6.230 9.153) 11.600 7.246 ( 10.528 -0.391 -1.354) 10.622 8.222 ( -10.811 5.008 6.798) 13.717 8.639 ( -10.049 -7.311 -7.053) 14.289 9.403 ( -4.857 12.813 -0.774) 13.725 9.461 ( 10.946 -18.623 3.912) 21.953 10.363 ( 2.986 3.616 2.754) 5.438 10.925 ( -8.533 -3.005 -9.737) 13.291 11.814 ( 5.121 -1.045 0.518) 5.252 11.971 ( -3.237 3.518 0.249) 4.787 14.116 ( -5.796 -3.906 1.832) 7.225 15.091 ( 10.470 9.618 9.458) 17.075 15.494 ( 2.900 1.641 -9.577) 10.140 16.147 ( 2.780 -1.352 -11.798) 12.196 ======================= Grid point 235 (119/172) ======================= q-point: (-0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( -10.117 -4.128 4.834) 11.949 1.239 ( -15.022 -17.364 -1.088) 22.986 2.038 ( 8.113 6.807 1.579) 10.707 2.147 ( 12.018 5.527 -0.839) 13.255 2.605 ( 10.004 1.254 -0.848) 10.118 2.842 ( -1.415 1.020 5.294) 5.574 3.110 ( 5.558 6.405 -1.269) 8.575 3.440 ( 0.977 -0.813 -17.656) 17.701 3.941 ( 1.693 5.717 -9.281) 11.031 4.631 ( 4.628 7.751 -5.105) 10.371 4.750 ( 4.679 -10.023 1.637) 11.182 5.320 ( -2.671 8.735 9.176) 12.947 5.377 ( 5.988 -2.818 2.110) 6.946 5.870 ( 6.217 -3.607 1.062) 7.265 5.917 ( -0.295 17.357 2.733) 17.573 6.595 ( 3.213 1.205 -6.950) 7.751 6.961 ( 1.906 -2.638 3.368) 4.684 7.492 ( 16.501 7.565 -4.488) 18.699 8.006 ( -10.552 -7.500 -8.474) 15.472 8.507 ( -4.908 4.243 2.457) 6.937 9.344 ( 3.859 -15.402 -6.196) 17.044 9.501 ( -4.918 4.906 10.082) 12.243 10.409 ( -3.050 -2.996 2.684) 5.048 10.745 ( -1.421 -0.178 -6.887) 7.034 11.859 ( 5.854 -5.911 -0.643) 8.344 12.011 ( -3.315 10.934 1.754) 11.559 13.860 ( -19.080 -10.575 4.812) 22.339 15.305 ( 3.876 3.947 1.682) 5.782 15.666 ( 15.629 9.232 -0.770) 18.168 16.090 ( 1.621 -1.655 -15.156) 15.332 ======================= Grid point 240 (120/172) ======================= q-point: ( 0.30 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( -7.297 1.413 16.819) 18.388 1.226 ( -2.146 6.524 16.549) 17.918 1.376 ( 7.461 15.144 10.014) 19.629 2.310 ( -0.440 -4.562 -27.642) 28.019 2.541 ( 1.277 -9.562 -10.540) 14.289 2.806 ( -1.239 4.495 -8.078) 9.327 3.202 ( -1.872 -9.959 3.654) 10.772 3.452 ( 1.564 0.086 -2.665) 3.091 4.304 ( -0.757 4.856 1.957) 5.290 4.867 ( 3.410 -16.259 3.471) 16.971 5.211 ( -9.091 4.098 0.803) 10.004 5.325 ( 4.166 7.202 1.676) 8.487 5.975 ( -0.547 -2.272 1.423) 2.737 6.041 ( -2.203 -2.262 -2.439) 3.990 6.257 ( 5.491 2.642 -3.303) 6.931 6.800 ( 6.890 -12.654 -13.037) 19.431 6.973 ( 4.899 -3.140 -3.761) 6.929 7.736 ( -17.859 -14.957 -9.681) 25.226 8.375 ( 0.640 -2.657 2.666) 3.818 8.595 ( -10.049 6.474 6.842) 13.773 8.899 ( 24.828 7.201 -2.018) 25.930 9.260 ( -10.937 17.136 -1.992) 20.426 10.648 ( 13.564 -57.457 9.327) 59.769 11.564 ( -4.020 -5.431 5.096) 8.463 11.924 ( -24.208 6.236 1.077) 25.021 12.063 ( 11.999 -2.008 -2.196) 12.362 12.706 ( 2.724 34.887 10.945) 36.665 13.875 ( 2.313 24.152 -9.504) 26.058 15.728 ( -0.025 -1.644 5.787) 6.016 16.822 ( -0.358 -10.404 -5.225) 11.648 ======================= Grid point 241 (121/172) ======================= q-point: ( 0.40 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( 0.554 1.155 14.415) 14.472 1.281 ( -3.359 1.857 8.209) 9.062 1.796 ( 13.520 17.485 4.918) 22.643 2.029 ( -5.472 -5.967 -22.474) 23.888 2.404 ( 0.164 -6.251 -8.952) 10.920 2.777 ( -0.939 2.496 -6.162) 6.714 3.013 ( -9.604 -11.000 3.808) 15.091 3.490 ( 7.226 -4.776 -7.454) 11.428 4.387 ( 2.352 5.634 4.301) 7.468 4.801 ( 4.108 -18.620 5.487) 19.842 5.110 ( -10.135 6.713 -1.259) 12.221 5.352 ( -1.126 -5.009 -1.195) 5.271 5.961 ( 0.716 -8.887 -2.332) 9.216 6.023 ( 1.557 5.718 2.417) 6.400 6.328 ( 2.238 1.046 -3.604) 4.369 6.653 ( -3.444 -6.253 -13.135) 14.950 6.915 ( -13.673 6.171 -2.568) 15.219 7.250 ( -9.570 -20.150 -2.179) 22.413 8.381 ( -2.892 2.201 4.148) 5.515 8.554 ( 1.971 -5.998 5.988) 8.702 9.229 ( -4.934 23.602 -4.118) 24.462 9.393 ( 21.854 -3.756 0.789) 22.189 10.363 ( 2.186 -38.329 3.470) 38.548 11.448 ( -12.816 -1.720 9.937) 16.308 11.565 ( -14.275 1.046 -1.945) 14.445 12.249 ( 9.930 -0.600 -3.807) 10.652 13.198 ( 11.448 23.393 13.226) 29.209 14.130 ( 9.567 23.818 -15.461) 29.964 15.737 ( -0.874 -2.922 5.060) 5.908 16.628 ( -4.283 -14.038 -6.020) 15.863 ======================= Grid point 242 (122/172) ======================= q-point: ( 0.50 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( 0.686 -1.429 -7.756) 7.916 1.330 ( 3.065 4.561 8.652) 10.249 1.814 ( -3.304 -1.790 -4.384) 5.774 2.121 ( 8.864 10.937 -4.060) 14.652 2.347 ( 3.296 -3.892 0.116) 5.102 2.699 ( -9.373 -2.017 -1.349) 9.682 2.806 ( -3.983 -5.043 -1.507) 6.601 3.474 ( 6.287 -6.855 -12.969) 15.960 4.513 ( 4.149 0.811 3.788) 5.676 4.702 ( -0.150 -17.958 4.571) 18.531 4.975 ( -12.431 6.300 -1.095) 13.979 5.288 ( 1.158 -4.996 2.263) 5.605 5.841 ( -0.560 -10.146 -6.375) 11.995 6.049 ( -1.586 1.181 -12.339) 12.497 6.278 ( -12.652 -3.216 8.189) 15.410 6.444 ( -4.897 -1.295 -10.712) 11.849 6.712 ( -16.475 18.273 4.783) 25.064 7.084 ( 4.023 -16.324 4.729) 17.465 8.400 ( -4.933 8.710 7.475) 12.493 8.632 ( 16.651 -17.361 0.251) 24.056 9.318 ( -2.941 15.773 -3.570) 16.438 9.580 ( 6.901 -17.500 3.184) 19.079 10.150 ( -1.000 -1.457 -3.189) 3.646 11.309 ( -8.199 -2.622 9.151) 12.563 11.436 ( -0.268 -5.820 -2.670) 6.409 12.296 ( 0.290 -2.131 -3.653) 4.239 13.651 ( 12.889 16.627 7.447) 22.317 14.400 ( 10.039 22.073 -11.792) 26.964 15.710 ( -2.563 -3.899 3.828) 6.035 16.363 ( -5.251 -15.206 -8.263) 18.085 ======================= Grid point 243 (123/172) ======================= q-point: ( 0.60 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( 2.557 6.574 -12.186) 14.080 1.516 ( 7.684 2.192 6.660) 10.402 1.806 ( -0.828 1.445 5.836) 6.069 2.245 ( 1.868 5.215 -4.683) 7.254 2.335 ( -4.955 -12.178 2.557) 13.394 2.521 ( -2.885 2.118 2.282) 4.245 2.788 ( 3.182 6.318 -6.086) 9.332 3.403 ( 5.998 -7.570 -16.869) 19.439 4.423 ( -5.774 -17.049 -1.212) 18.041 4.641 ( -1.222 1.624 2.663) 3.350 4.850 ( -7.853 -0.271 2.472) 8.237 5.340 ( 2.809 0.475 7.192) 7.736 5.697 ( -0.048 -8.134 -8.532) 11.788 5.857 ( -13.288 3.875 -12.480) 18.637 6.028 ( -15.154 3.019 1.329) 15.509 6.346 ( 2.691 -2.713 -5.345) 6.570 6.849 ( -1.697 17.581 14.640) 22.942 7.058 ( 2.056 -8.511 5.643) 10.417 8.472 ( -4.987 9.552 8.165) 13.520 8.692 ( 15.320 -23.541 -8.230) 29.268 9.256 ( -2.750 -19.425 -1.460) 19.673 9.523 ( -4.184 14.062 1.632) 14.762 10.240 ( 4.768 10.517 -3.058) 11.945 11.186 ( -7.592 -8.298 1.676) 11.371 11.443 ( 10.885 -7.674 0.549) 13.329 12.182 ( -6.628 -4.600 -3.063) 8.630 14.007 ( 9.769 14.261 1.441) 17.346 14.721 ( 11.598 20.538 -2.845) 23.757 15.620 ( -6.212 -5.862 2.241) 8.831 16.105 ( -1.475 -12.221 -11.016) 16.519 ======================= Grid point 244 (124/172) ======================= q-point: (-0.30 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( 4.003 8.412 -1.534) 9.441 1.650 ( 0.785 -5.642 4.722) 7.399 1.832 ( 0.899 -0.126 3.306) 3.428 2.016 ( -11.889 -3.213 -4.131) 12.989 2.346 ( 3.550 3.512 1.870) 5.332 2.649 ( 8.601 5.261 4.959) 11.236 2.921 ( 7.234 11.334 -7.379) 15.338 3.305 ( 6.150 -8.700 -18.525) 21.370 4.155 ( -8.629 -10.796 -2.839) 14.109 4.641 ( -3.613 1.973 4.169) 5.859 4.730 ( -4.093 -5.248 -0.189) 6.658 5.409 ( -2.133 -0.843 4.842) 5.357 5.580 ( -10.337 5.759 -7.991) 14.279 5.635 ( -0.042 -3.389 2.142) 4.010 5.977 ( -3.056 17.345 -4.139) 18.092 6.405 ( 7.618 -0.003 -1.210) 7.714 7.031 ( -5.655 8.261 11.969) 15.604 7.101 ( 7.143 1.289 2.451) 7.661 8.362 ( -9.324 -13.860 -9.870) 19.403 8.644 ( 1.664 1.065 -2.580) 3.249 9.062 ( 5.689 -27.117 2.010) 27.780 9.653 ( -1.769 16.425 4.522) 17.128 10.382 ( 2.899 8.763 -0.968) 9.280 10.951 ( -8.714 -9.754 -5.493) 14.186 11.602 ( 14.678 -8.132 2.032) 16.903 12.015 ( -4.255 -4.784 -1.894) 6.676 14.220 ( -0.650 10.320 2.823) 10.719 15.093 ( 11.733 18.021 2.925) 21.703 15.445 ( -5.508 -6.768 -3.363) 9.351 15.970 ( 4.033 -6.157 -11.607) 13.744 ======================= Grid point 245 (125/172) ======================= q-point: (-0.20 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( -7.438 -0.306 2.087) 7.732 1.363 ( -18.728 -14.291 1.543) 23.608 1.944 ( 9.933 -0.203 -2.638) 10.279 2.007 ( 6.730 5.591 1.150) 8.825 2.489 ( 7.271 5.536 -0.257) 9.142 2.879 ( 4.900 6.281 4.213) 9.012 3.076 ( 4.536 7.237 -6.869) 10.960 3.214 ( 8.185 -4.779 -14.095) 16.986 3.939 ( -4.925 -2.505 -6.386) 8.445 4.614 ( -0.713 -4.989 7.079) 8.690 4.686 ( -0.183 4.431 -2.655) 5.169 5.332 ( -2.502 -3.963 0.424) 4.706 5.514 ( -4.717 9.475 2.754) 10.936 5.731 ( 8.162 -2.493 5.634) 10.227 6.141 ( 0.380 27.171 -4.317) 27.515 6.516 ( 4.406 2.143 0.191) 4.903 7.042 ( -7.231 2.531 5.907) 9.674 7.287 ( 12.356 7.024 -3.746) 14.698 7.963 ( -8.443 -13.798 -16.807) 23.327 8.681 ( -3.810 7.487 4.207) 9.396 8.902 ( 8.922 -33.480 -2.201) 34.718 9.796 ( -4.599 14.016 8.984) 17.272 10.461 ( -2.161 2.593 -0.230) 3.383 10.706 ( -3.688 -5.702 -6.631) 9.492 11.689 ( 5.853 -11.367 0.156) 12.786 12.023 ( 7.939 1.134 0.529) 8.037 14.164 ( -17.853 1.656 6.960) 19.234 15.296 ( 0.589 -0.959 -1.100) 1.574 15.516 ( 15.197 15.578 -2.998) 21.968 15.917 ( 3.833 -4.217 -12.132) 13.404 ======================= Grid point 250 (126/172) ======================= q-point: ( 0.30 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( -1.986 -1.809 5.931) 6.511 1.386 ( 6.227 15.147 11.813) 20.193 1.657 ( -16.641 11.075 6.891) 21.144 2.050 ( 5.158 -3.833 -23.346) 24.215 2.351 ( 1.057 -8.957 -9.950) 13.430 2.807 ( 0.123 2.521 -6.477) 6.952 3.064 ( 9.348 -7.905 3.837) 12.829 3.458 ( -7.445 -6.746 -7.021) 12.257 4.397 ( -2.541 4.339 3.355) 6.046 4.719 ( 0.981 -12.090 2.549) 12.395 5.313 ( -1.506 -6.062 1.234) 6.367 5.347 ( 4.542 8.362 1.928) 9.709 5.918 ( 6.091 -9.332 -2.906) 11.516 6.012 ( -4.384 -5.739 -0.350) 7.230 6.182 ( 0.250 -5.991 -0.801) 6.049 6.468 ( 9.827 -0.168 -7.136) 12.146 6.765 ( 10.696 -3.232 -5.336) 12.382 7.882 ( -8.207 1.479 -5.077) 9.763 8.326 ( 11.000 1.409 4.903) 12.125 8.521 ( 5.643 -11.397 -0.630) 12.733 8.973 ( -10.965 17.282 3.763) 20.810 9.593 ( -14.807 11.726 -5.605) 19.701 10.007 ( 12.788 -47.065 13.773) 50.679 11.586 ( 0.232 -3.010 2.282) 3.785 11.778 ( 13.362 3.187 -1.682) 13.839 12.201 ( -5.432 -3.680 -2.187) 6.916 13.215 ( -14.218 27.388 13.925) 33.855 14.034 ( -6.416 18.999 -16.039) 25.678 15.737 ( 0.749 -2.754 4.384) 5.231 16.652 ( 3.307 -12.257 -5.637) 13.891 ======================= Grid point 251 (127/172) ======================= q-point: ( 0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.152 ( -0.834 -3.612 -3.487) 5.089 1.501 ( -11.071 4.496 12.112) 17.014 1.799 ( 8.338 20.673 -2.843) 22.472 1.922 ( -0.906 -1.727 -11.215) 11.383 2.241 ( 3.441 -8.236 -6.927) 11.298 2.782 ( -0.815 3.314 -6.122) 7.009 3.053 ( -4.264 -12.122 4.505) 13.617 3.279 ( 3.172 -10.003 -7.623) 12.970 4.416 ( 0.679 -3.404 4.634) 5.790 4.673 ( 0.614 -5.584 3.873) 6.823 5.233 ( -1.867 -6.990 2.575) 7.680 5.357 ( -5.668 -0.554 -1.919) 6.010 5.861 ( 0.452 -11.711 -2.602) 12.005 5.942 ( 4.149 -6.072 -5.489) 9.177 6.244 ( 8.501 1.116 0.114) 8.574 6.533 ( 2.762 -0.385 -6.683) 7.241 6.859 ( 5.369 0.539 0.498) 5.419 7.556 ( -22.812 -0.975 -0.944) 22.853 8.230 ( 0.451 -14.443 -0.872) 14.477 8.858 ( -8.393 13.160 4.373) 16.210 8.926 ( 18.001 -13.218 2.631) 22.487 9.502 ( -6.206 16.190 -3.322) 17.654 9.926 ( 10.875 -26.682 7.650) 29.811 11.518 ( -4.624 -5.601 3.371) 8.007 11.940 ( -1.974 -7.333 0.970) 7.656 12.013 ( -1.190 2.973 -4.181) 5.267 13.446 ( -1.867 25.998 12.089) 28.732 14.127 ( 5.117 23.212 -16.305) 28.824 15.744 ( 0.236 -4.497 5.151) 6.842 16.487 ( -1.573 -17.464 -5.435) 18.358 ======================= Grid point 252 (128/172) ======================= q-point: ( 0.50 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( 1.221 -0.388 -17.279) 17.326 1.478 ( -6.107 5.400 10.877) 13.593 1.831 ( -1.384 1.649 -0.224) 2.164 2.071 ( 6.975 11.011 -6.814) 14.708 2.245 ( 4.977 -3.506 3.307) 6.928 2.767 ( -0.811 4.951 -6.045) 7.855 2.838 ( -8.848 -12.731 3.120) 15.815 3.214 ( 5.685 -10.954 -9.016) 15.284 4.402 ( 3.088 -14.602 5.269) 15.828 4.679 ( -0.668 0.509 3.742) 3.836 5.170 ( -5.461 -0.320 -0.336) 5.480 5.225 ( -1.954 -6.172 2.026) 6.784 5.732 ( -1.173 -10.022 -3.634) 10.725 5.865 ( 3.377 -8.944 -12.297) 15.576 6.381 ( 4.944 0.769 -8.376) 9.757 6.473 ( -2.011 -4.548 6.116) 7.882 6.947 ( -3.685 7.551 3.003) 8.922 7.256 ( -16.530 8.094 5.976) 19.351 8.132 ( 10.790 -22.160 -4.013) 24.972 8.729 ( -11.650 4.980 6.592) 14.282 9.096 ( 13.499 -24.236 3.945) 28.020 9.610 ( -3.054 20.249 -0.347) 20.481 9.986 ( 12.072 -3.773 -1.282) 12.712 11.394 ( -4.838 -8.402 0.485) 9.708 11.660 ( -20.707 -0.476 6.405) 21.680 12.139 ( 10.419 -2.893 -5.933) 12.334 13.737 ( 3.869 20.328 5.524) 21.418 14.368 ( 9.932 22.622 -11.813) 27.386 15.731 ( -0.953 -5.041 5.773) 7.724 16.224 ( -4.231 -19.703 -6.358) 21.132 ======================= Grid point 253 (129/172) ======================= q-point: ( 0.60 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( 5.155 11.334 -15.554) 19.924 1.541 ( -0.394 3.383 9.211) 9.821 1.872 ( 0.158 3.083 5.586) 6.382 2.226 ( 7.371 8.254 -2.583) 11.364 2.280 ( -0.603 -7.167 3.194) 7.870 2.604 ( -7.886 -8.967 2.012) 12.110 2.786 ( 0.991 8.760 -7.091) 11.313 3.124 ( 4.568 -10.558 -11.865) 16.526 4.307 ( -0.266 -18.194 5.325) 18.959 4.688 ( -1.046 0.759 0.707) 1.473 5.001 ( -9.822 -1.500 -3.052) 10.393 5.289 ( 6.899 -2.049 7.541) 10.424 5.591 ( -2.187 -6.434 -7.060) 9.800 5.782 ( 4.213 -4.291 -9.703) 11.416 6.313 ( -1.729 0.778 -5.055) 5.398 6.418 ( -13.435 0.967 5.571) 14.577 6.945 ( -0.506 8.138 -1.438) 8.280 7.284 ( -8.286 12.968 18.172) 23.812 8.105 ( 18.485 -27.798 -7.719) 34.264 8.692 ( -6.407 7.425 5.725) 11.356 8.999 ( 3.786 -26.606 -0.633) 26.882 9.724 ( -3.018 15.342 1.666) 15.725 10.191 ( 10.564 9.203 -3.937) 14.553 11.205 ( -5.692 -13.803 -0.958) 14.961 11.421 ( -11.727 -1.536 5.641) 13.104 12.149 ( 0.345 -6.527 -4.591) 7.988 14.034 ( 7.786 20.063 -0.096) 21.522 14.693 ( 12.451 20.492 -4.913) 24.477 15.685 ( -4.743 -7.193 7.472) 11.405 15.932 ( -2.777 -16.511 -9.308) 19.156 ======================= Grid point 254 (130/172) ======================= q-point: (-0.30 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( 7.489 13.728 -5.529) 16.586 1.629 ( 1.730 0.258 6.379) 6.614 1.894 ( -5.140 -2.359 4.496) 7.225 2.117 ( -8.500 -6.751 -2.337) 11.104 2.373 ( -0.073 3.927 3.743) 5.425 2.575 ( 10.048 3.316 2.813) 10.949 2.891 ( 4.988 13.875 -7.279) 16.443 3.013 ( 3.975 -9.728 -13.695) 17.262 4.143 ( -4.767 -14.843 4.171) 16.138 4.676 ( -0.624 1.697 -4.520) 4.868 4.821 ( -7.772 -4.522 2.899) 9.448 5.439 ( 1.415 -1.450 5.656) 6.008 5.474 ( 3.803 -3.071 -3.377) 5.941 5.757 ( -1.160 2.198 -8.694) 9.043 6.257 ( -12.492 13.304 2.118) 18.372 6.350 ( 3.714 6.985 0.676) 7.940 7.049 ( 3.430 4.949 3.306) 6.870 7.361 ( -10.541 10.083 14.601) 20.639 8.041 ( 11.656 -27.352 -12.529) 32.264 8.652 ( -6.188 1.232 -11.023) 12.701 8.819 ( 3.178 -20.157 9.295) 22.423 9.847 ( -0.900 14.442 4.104) 15.040 10.397 ( 5.757 11.594 -3.899) 13.519 10.949 ( -7.909 -15.709 -1.033) 17.618 11.366 ( 4.751 -5.067 3.584) 7.816 12.000 ( -4.447 -9.114 -3.756) 10.814 14.335 ( 5.686 18.789 1.141) 19.664 15.062 ( 13.427 18.897 -2.481) 23.314 15.476 ( -10.033 -16.168 2.443) 19.184 15.794 ( 2.637 -3.917 -6.472) 8.011 ======================= Grid point 255 (131/172) ======================= q-point: (-0.20 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( -1.292 3.967 -0.787) 4.246 1.560 ( -14.618 -8.818 6.855) 18.397 1.804 ( 2.517 -2.527 -0.839) 3.664 1.992 ( -0.183 1.324 -2.669) 2.985 2.454 ( 4.029 5.064 0.096) 6.472 2.881 ( 4.145 5.875 -0.243) 7.194 2.882 ( 9.825 -5.297 -6.313) 12.824 3.089 ( 7.763 16.158 -5.847) 18.855 3.949 ( -6.189 -9.550 -0.168) 11.381 4.598 ( -1.925 -5.734 -2.638) 6.599 4.783 ( -1.867 5.443 5.807) 8.175 5.349 ( -3.603 -3.700 -2.162) 5.599 5.638 ( 7.152 3.243 5.483) 9.578 5.663 ( -4.689 1.839 -2.511) 5.628 6.330 ( 0.194 20.545 -4.299) 20.991 6.513 ( 3.203 5.721 5.662) 8.663 7.197 ( 4.889 13.417 -1.378) 14.347 7.305 ( -12.731 -0.259 9.313) 15.776 7.805 ( -1.583 -14.115 -15.958) 21.363 8.441 ( 5.102 -24.464 -9.473) 26.725 8.818 ( -1.022 -1.055 7.537) 7.679 10.007 ( -0.121 12.268 6.549) 13.908 10.513 ( -1.127 5.636 -4.130) 7.078 10.691 ( -5.669 -8.060 -0.700) 9.879 11.462 ( 9.386 -9.427 1.731) 13.415 11.882 ( 4.397 -5.817 -1.529) 7.451 14.504 ( -9.243 11.754 6.922) 16.477 15.201 ( 0.016 -12.959 -5.980) 14.272 15.446 ( 12.047 18.741 -1.853) 22.356 15.776 ( 1.877 -1.614 -4.965) 5.548 ======================= Grid point 260 (132/172) ======================= q-point: ( 0.30 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( 1.280 -2.071 -12.632) 12.865 1.528 ( 1.582 14.146 7.644) 16.156 1.828 ( 4.481 -1.184 -3.884) 6.047 2.048 ( -14.528 9.406 -2.604) 17.502 2.248 ( -3.862 -7.435 -2.976) 8.891 2.736 ( 6.477 -0.737 -3.001) 7.176 2.866 ( 8.400 -4.377 0.765) 9.503 3.428 ( -7.058 -10.733 -12.441) 17.882 4.484 ( -3.199 -5.690 6.179) 8.988 4.641 ( 1.475 -1.625 -1.087) 2.449 5.129 ( 9.660 -13.621 -0.258) 16.701 5.336 ( 6.322 3.649 3.124) 7.941 5.701 ( 4.550 -8.321 -3.518) 10.115 6.015 ( 1.196 -6.256 -9.154) 11.152 6.184 ( -8.402 -1.179 10.802) 13.736 6.329 ( 8.743 -0.349 -5.026) 10.090 6.623 ( 6.130 12.341 -1.568) 13.868 7.813 ( 19.990 6.969 -3.765) 21.502 8.116 ( 4.868 -6.560 5.477) 9.835 8.613 ( -21.088 -13.461 3.342) 25.240 9.257 ( -2.723 9.209 -3.343) 10.168 9.581 ( 4.277 -23.772 13.230) 27.540 9.878 ( -11.311 8.334 -3.312) 14.435 11.433 ( 10.970 -2.203 -4.991) 12.251 11.758 ( -1.521 2.453 4.910) 5.696 12.116 ( 3.513 -10.294 -4.231) 11.671 13.737 ( -11.984 19.890 9.887) 25.239 14.229 ( -12.032 15.569 -12.931) 23.545 15.705 ( 2.268 -4.003 1.762) 4.927 16.426 ( 5.344 -11.291 -7.525) 14.583 ======================= Grid point 261 (133/172) ======================= q-point: ( 0.40 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( 0.566 0.664 -20.681) 20.699 1.713 ( 0.307 3.881 5.251) 6.537 1.873 ( -0.596 2.937 -0.473) 3.034 1.954 ( -5.998 15.581 -0.672) 16.710 2.123 ( -0.654 -4.069 -0.331) 4.134 2.760 ( 1.597 0.161 -4.409) 4.692 2.957 ( 7.163 -7.847 2.463) 10.906 3.124 ( -5.328 -15.709 -9.280) 19.008 4.395 ( -3.000 -12.218 7.905) 14.858 4.671 ( 1.526 3.517 -2.856) 4.781 5.109 ( 5.487 -17.304 7.699) 19.719 5.414 ( -1.357 1.617 -3.934) 4.465 5.695 ( 3.226 -4.078 -4.998) 7.212 5.853 ( -3.255 -8.450 -3.572) 9.734 6.163 ( -0.160 -1.287 3.422) 3.660 6.399 ( 6.401 -3.594 -7.454) 10.462 6.884 ( 6.057 17.468 5.386) 19.257 7.769 ( -9.825 -9.791 -1.799) 13.987 8.208 ( -11.979 -12.974 -0.759) 17.675 8.428 ( 20.757 -10.697 6.405) 24.214 9.169 ( -4.908 3.233 -3.133) 6.660 9.601 ( 1.147 -1.437 12.117) 12.256 9.816 ( -5.175 8.435 -1.588) 10.022 11.551 ( 4.440 -0.153 -1.853) 4.814 11.670 ( 3.006 -12.375 -1.738) 12.853 12.094 ( 0.902 -5.129 -0.269) 5.215 13.829 ( -7.926 20.376 7.082) 22.982 14.210 ( -2.959 23.122 -11.538) 26.010 15.712 ( 1.954 -5.823 4.152) 7.414 16.292 ( 0.626 -17.289 -6.375) 18.437 ======================= Grid point 262 (134/172) ======================= q-point: ( 0.50 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( 0.558 9.781 -20.697) 22.899 1.694 ( -6.432 1.507 5.991) 8.918 1.886 ( -1.592 3.597 1.710) 4.289 1.982 ( 3.643 1.340 -4.002) 5.575 2.234 ( 2.800 8.531 5.157) 10.354 2.758 ( 1.464 1.923 -5.219) 5.752 2.848 ( -5.689 -14.204 -1.597) 15.384 2.989 ( 4.999 -9.309 -1.280) 10.644 4.286 ( -1.010 -15.290 8.074) 17.320 4.690 ( 1.225 0.070 -3.273) 3.496 5.123 ( 3.902 -9.353 10.838) 14.837 5.293 ( -7.380 -3.160 -4.202) 9.062 5.621 ( -0.207 -7.341 -3.080) 7.964 5.732 ( -2.342 -5.837 -5.635) 8.444 6.186 ( 7.573 -4.678 -7.470) 11.621 6.410 ( 4.867 -3.178 -0.770) 5.864 7.151 ( -0.026 16.826 4.674) 17.463 7.491 ( -8.431 -9.127 -1.679) 12.538 7.929 ( -9.308 -11.451 4.511) 15.431 8.555 ( 13.441 -27.684 10.004) 32.360 9.176 ( -10.530 16.697 0.301) 19.743 9.737 ( 13.293 -2.752 1.292) 13.636 9.850 ( -4.219 17.008 0.254) 17.525 11.407 ( -7.209 -11.832 0.141) 13.856 11.776 ( 10.548 -5.053 -2.667) 11.996 12.013 ( -4.759 -0.626 0.213) 4.805 13.944 ( -3.073 18.971 0.182) 19.219 14.379 ( 4.546 22.412 -6.601) 23.802 15.721 ( 1.363 -5.915 6.809) 9.122 16.056 ( -2.899 -20.210 -5.684) 21.193 ======================= Grid point 263 (135/172) ======================= q-point: ( 0.60 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( 3.501 19.420 -13.590) 23.961 1.668 ( -4.036 1.554 7.150) 8.356 1.923 ( 1.132 2.690 2.631) 3.929 2.103 ( 10.043 0.721 1.485) 10.178 2.302 ( -2.014 1.303 0.555) 2.462 2.639 ( -6.182 -10.278 0.960) 12.032 2.791 ( 2.443 7.391 -6.403) 10.080 2.944 ( 0.582 -7.750 -1.422) 7.901 4.193 ( 0.292 -16.209 8.640) 18.371 4.679 ( 0.996 -1.027 -3.047) 3.366 5.060 ( -6.148 -8.121 -4.696) 11.216 5.243 ( 3.364 -1.221 10.020) 10.640 5.535 ( -1.878 -5.055 -3.968) 6.695 5.622 ( 2.616 -3.587 -5.814) 7.316 6.221 ( 8.355 -2.013 -7.970) 11.720 6.489 ( 3.441 -3.704 7.939) 9.412 7.123 ( -10.044 10.154 -9.716) 17.274 7.467 ( 10.793 -9.314 1.582) 14.343 7.775 ( -10.154 -1.599 13.176) 16.712 8.573 ( 10.831 -25.298 11.178) 29.703 9.068 ( -16.778 10.255 -1.715) 19.739 9.875 ( 2.923 5.007 -0.770) 5.849 10.071 ( 10.440 16.412 -2.032) 19.557 11.159 ( -6.682 -16.236 -1.383) 17.612 11.675 ( -13.974 -4.092 4.656) 15.288 12.030 ( 4.090 -1.433 -4.512) 6.256 14.112 ( 4.091 19.401 -3.791) 20.186 14.661 ( 9.915 19.519 -2.254) 22.009 15.721 ( -2.360 -13.087 10.518) 16.955 15.781 ( -2.718 -11.359 -7.211) 13.726 ======================= Grid point 264 (136/172) ======================= q-point: (-0.30 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( 5.923 17.099 -7.412) 19.555 1.683 ( -1.488 1.735 5.692) 6.133 1.970 ( -1.491 -0.026 2.614) 3.009 2.124 ( -2.851 -11.383 -0.058) 11.735 2.432 ( 10.445 3.719 -0.175) 11.089 2.473 ( -4.642 1.808 6.140) 7.907 2.864 ( -0.844 -1.731 -5.486) 5.814 2.897 ( 4.266 11.106 -4.801) 12.830 4.099 ( -1.687 -15.275 8.815) 17.716 4.648 ( -0.628 -2.291 -6.220) 6.658 4.883 ( -3.867 -3.513 -0.965) 5.313 5.368 ( 5.145 -1.728 0.833) 5.491 5.442 ( -0.314 -2.072 3.277) 3.890 5.666 ( 5.920 0.007 -4.289) 7.311 6.340 ( 8.348 8.411 -4.378) 12.634 6.498 ( -5.555 -1.094 8.520) 10.230 7.102 ( 2.250 10.858 -5.510) 12.382 7.506 ( 12.018 -21.616 -5.994) 25.449 7.728 ( -11.875 8.338 14.641) 20.613 8.529 ( 1.915 -25.014 5.156) 25.612 8.874 ( -12.024 7.896 -3.261) 14.750 9.975 ( 2.288 7.755 1.714) 8.265 10.362 ( 9.144 15.495 -4.340) 18.508 10.896 ( -5.690 -17.250 0.242) 18.166 11.451 ( -12.680 -0.800 4.135) 13.361 11.954 ( -3.756 -7.955 -4.296) 9.790 14.374 ( 9.748 16.872 -3.193) 19.746 15.011 ( 11.916 18.353 -0.299) 21.885 15.453 ( -7.276 -19.275 -0.508) 20.609 15.763 ( -0.866 0.012 4.167) 4.256 ======================= Grid point 265 (137/172) ======================= q-point: (-0.20 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( 3.678 5.694 -3.967) 7.854 1.711 ( -2.913 1.125 3.739) 4.871 1.848 ( -10.746 -5.549 3.545) 12.603 1.972 ( -2.096 -5.709 -2.622) 6.623 2.413 ( 3.558 -0.829 -2.165) 4.247 2.714 ( 1.767 0.373 0.372) 1.844 2.895 ( 7.679 12.521 4.901) 15.485 3.084 ( 7.727 17.339 -7.025) 20.242 3.955 ( -5.620 -14.092 5.005) 15.976 4.541 ( -0.861 -6.461 -3.956) 7.624 4.876 ( -0.338 5.070 1.791) 5.388 5.322 ( -0.150 -4.622 -3.828) 6.003 5.597 ( 7.480 2.420 9.860) 12.610 5.682 ( -0.175 0.181 -5.661) 5.667 6.450 ( -2.276 5.003 -2.107) 5.886 6.573 ( 4.187 10.636 4.762) 12.383 7.276 ( 2.591 15.002 -0.128) 15.225 7.379 ( 4.854 -18.133 -4.909) 19.403 7.719 ( -6.596 4.942 6.002) 10.195 8.216 ( -10.119 -20.171 -5.883) 23.321 8.831 ( 0.650 -0.280 1.613) 1.761 10.103 ( 2.965 5.801 1.847) 6.771 10.553 ( 0.031 8.661 -4.257) 9.651 10.700 ( -1.518 -7.121 3.153) 7.935 11.351 ( -2.326 -0.350 2.511) 3.441 11.781 ( -1.970 -8.228 -2.958) 8.962 14.664 ( 10.511 11.857 -0.069) 15.845 15.089 ( -10.405 -15.923 0.490) 19.028 15.416 ( 10.907 18.019 -3.286) 21.318 15.770 ( -1.883 0.783 2.941) 3.579 ======================= Grid point 271 (138/172) ======================= q-point: ( 0.30 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( -2.567 3.716 -13.676) 14.403 1.677 ( -1.919 7.826 4.279) 9.123 1.809 ( 1.393 2.861 5.797) 6.612 2.182 ( 0.948 -4.633 -1.626) 5.001 2.290 ( -4.037 -0.382 0.168) 4.059 2.620 ( 3.598 4.605 1.153) 5.956 2.766 ( -0.579 0.758 -5.503) 5.585 3.337 ( -7.408 -12.297 -15.686) 21.264 4.405 ( 6.139 -11.750 3.502) 13.711 4.626 ( 0.947 2.412 -4.094) 4.845 4.908 ( 4.344 -8.859 2.355) 10.143 5.260 ( 6.804 -1.610 5.122) 8.667 5.564 ( 4.826 -1.166 -2.632) 5.620 5.834 ( 5.886 -1.684 -9.884) 11.626 6.141 ( 9.677 2.908 -3.719) 10.767 6.475 ( -14.702 0.023 12.998) 19.624 6.687 ( 4.601 17.779 -1.704) 18.444 7.489 ( 19.377 3.520 -3.130) 19.942 8.097 ( -4.878 -10.640 6.626) 13.450 8.842 ( -16.647 -19.140 7.981) 26.592 9.076 ( 5.608 -10.007 -10.650) 15.653 9.670 ( 0.211 15.025 8.166) 17.102 10.097 ( -10.590 6.149 -2.528) 12.504 11.194 ( 9.573 -6.624 -5.360) 12.816 11.822 ( 2.968 3.077 3.789) 5.713 11.913 ( -1.544 -17.126 -3.928) 17.639 14.075 ( -6.404 15.284 0.125) 16.572 14.569 ( -16.444 15.698 0.853) 22.750 15.601 ( 5.152 -6.579 -1.373) 8.468 16.200 ( 3.694 -7.371 -9.926) 12.903 ======================= Grid point 272 (139/172) ======================= q-point: ( 0.40 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( -2.704 11.811 -16.938) 20.826 1.730 ( 0.517 1.510 0.225) 1.612 1.917 ( 1.125 4.099 4.799) 6.411 2.138 ( -4.191 -8.640 7.383) 12.113 2.230 ( -5.980 17.292 -1.982) 18.404 2.685 ( 2.315 -2.813 -1.442) 3.918 2.770 ( 6.123 -3.792 -5.224) 8.898 3.016 ( -5.366 -13.331 -7.987) 16.441 4.370 ( -0.592 -13.184 6.851) 14.869 4.630 ( 1.575 0.420 -5.325) 5.569 4.928 ( 6.230 -8.682 6.455) 12.484 5.373 ( 4.597 0.635 -1.489) 4.874 5.618 ( 2.973 2.486 -3.795) 5.424 5.790 ( -0.701 -6.018 -6.935) 9.209 6.242 ( 4.187 0.635 -3.209) 5.313 6.309 ( -13.797 -2.296 8.279) 16.253 6.980 ( 7.805 20.829 0.200) 22.244 7.705 ( 6.337 -11.974 2.527) 13.781 7.994 ( 6.082 -9.845 -4.514) 12.422 8.468 ( -15.578 -14.373 10.372) 23.598 9.045 ( 9.150 -5.387 -3.438) 11.160 9.791 ( -6.958 8.385 7.197) 13.059 10.013 ( -7.446 12.892 -1.696) 14.984 11.277 ( 13.760 -6.305 -6.689) 16.548 11.649 ( -6.563 -14.647 -1.425) 16.114 11.951 ( 8.207 -4.993 2.858) 10.022 14.120 ( -6.455 18.314 -3.666) 19.761 14.530 ( -12.243 22.138 2.608) 25.432 15.614 ( 5.298 -9.158 2.937) 10.981 16.080 ( 1.049 -13.014 -8.717) 15.699 ======================= Grid point 273 (140/172) ======================= q-point: ( 0.50 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( -1.619 20.094 -13.170) 24.080 1.737 ( 0.826 1.381 -3.000) 3.405 1.939 ( -2.349 -0.359 0.834) 2.519 2.022 ( -5.211 -5.737 8.213) 11.293 2.363 ( -2.580 14.208 1.672) 14.537 2.648 ( 4.680 -10.489 -1.977) 11.654 2.747 ( 0.758 0.103 -9.118) 9.150 2.903 ( 1.772 -5.704 6.164) 8.583 4.249 ( -3.652 -14.925 8.094) 17.367 4.623 ( 1.793 -0.945 -3.325) 3.894 5.019 ( 7.317 -6.769 5.286) 11.283 5.349 ( -5.398 -3.346 -0.693) 6.388 5.601 ( -3.088 -3.302 0.551) 4.554 5.699 ( -0.320 1.565 -7.549) 7.716 6.059 ( -7.983 -12.046 -0.914) 14.480 6.323 ( 3.607 5.667 -2.869) 7.304 7.224 ( 5.388 8.814 -5.749) 11.823 7.517 ( -11.795 -10.393 -0.702) 15.736 8.038 ( 6.938 -11.039 10.704) 16.869 8.272 ( -3.008 -12.683 12.752) 18.235 9.262 ( 16.954 7.261 -3.185) 18.717 9.696 ( -11.656 1.970 0.444) 11.830 10.073 ( -3.854 15.774 2.013) 16.362 11.304 ( 2.797 -20.955 -3.889) 21.495 11.562 ( 8.959 5.511 -3.456) 11.072 12.015 ( 3.033 -6.317 3.685) 7.917 14.155 ( -5.585 18.142 -6.780) 20.156 14.601 ( -7.063 22.008 3.316) 23.350 15.648 ( 5.662 -11.113 8.378) 15.025 15.885 ( -2.311 -13.713 -7.581) 15.838 ======================= Grid point 274 (141/172) ======================= q-point: (-0.40 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( 0.175 21.800 -8.480) 23.392 1.760 ( -0.540 3.171 0.864) 3.330 1.896 ( 1.442 -2.015 0.111) 2.480 1.998 ( 2.651 -8.015 4.544) 9.587 2.344 ( -2.878 -0.387 -1.745) 3.388 2.642 ( -2.082 -0.402 1.279) 2.476 2.770 ( 3.449 8.762 -6.299) 11.328 2.942 ( -0.370 -3.289 11.103) 11.586 4.118 ( -1.715 -15.293 8.990) 17.822 4.624 ( 1.246 -0.335 -2.692) 2.986 5.001 ( -1.270 -11.032 -3.636) 11.685 5.279 ( -0.503 -1.955 8.851) 9.078 5.530 ( -3.367 -1.331 -1.117) 3.789 5.588 ( -6.914 -1.109 -3.465) 7.813 5.959 ( 10.318 -4.712 -7.715) 13.718 6.443 ( 5.705 4.455 2.129) 7.545 7.172 ( -4.350 -17.022 -1.712) 17.653 7.313 ( -1.899 8.274 -12.844) 15.396 8.128 ( -8.784 6.552 20.464) 23.213 8.267 ( 9.396 -21.703 14.744) 27.869 9.441 ( -16.678 12.381 -3.146) 21.008 9.638 ( 18.847 -3.611 -4.938) 19.815 10.190 ( -0.617 16.661 0.564) 16.682 11.072 ( -3.587 -20.371 -0.854) 20.702 11.749 ( 4.561 2.897 -0.591) 5.435 11.993 ( -1.335 -2.178 0.841) 2.690 14.201 ( -0.833 14.413 -7.601) 16.315 14.764 ( 0.309 21.257 2.872) 21.452 15.601 ( -1.034 -21.246 1.941) 21.359 15.764 ( 0.780 -0.617 4.516) 4.624 ======================= Grid point 275 (142/172) ======================= q-point: (-0.30 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( 1.565 14.102 -7.221) 15.921 1.770 ( -2.606 2.695 3.960) 5.453 1.953 ( 2.638 -12.723 -1.360) 13.064 1.967 ( 6.295 -1.222 -2.647) 6.937 2.372 ( 2.741 4.580 1.462) 5.534 2.621 ( -3.270 5.216 7.843) 9.970 2.874 ( 3.251 11.383 -8.014) 14.296 2.961 ( -5.210 1.885 11.346) 12.627 4.031 ( -0.103 -15.547 9.552) 18.247 4.583 ( -1.355 -4.814 -5.168) 7.191 4.877 ( -0.036 -2.566 -1.320) 2.886 5.298 ( -0.023 -2.156 -1.910) 2.881 5.469 ( -0.341 -0.479 2.707) 2.770 5.564 ( 3.080 1.091 1.212) 3.485 6.136 ( 17.003 3.159 -6.129) 18.348 6.586 ( 2.598 1.611 8.411) 8.949 6.975 ( 1.452 -9.548 -5.457) 11.093 7.318 ( 2.551 4.957 -7.735) 9.535 8.105 ( -14.314 6.371 10.958) 19.120 8.312 ( 5.931 -21.568 16.318) 27.688 9.185 ( -19.900 6.828 -5.621) 21.777 9.871 ( 13.954 -1.295 -2.312) 14.204 10.383 ( 5.279 18.142 -3.369) 19.193 10.829 ( -4.865 -17.449 2.329) 18.264 11.695 ( -11.301 1.547 2.737) 11.730 11.937 ( -4.198 -3.505 -2.790) 6.139 14.303 ( 7.326 6.331 -6.451) 11.635 15.048 ( 7.420 22.359 2.148) 23.656 15.384 ( -4.589 -14.804 0.328) 15.503 15.826 ( -0.335 0.146 9.509) 9.516 ======================= Grid point 276 (143/172) ======================= q-point: (-0.20 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( 2.611 2.445 -6.645) 7.546 1.790 ( -2.686 5.438 -0.411) 6.080 1.822 ( 1.626 -13.754 -4.566) 14.583 2.009 ( -1.627 0.903 1.415) 2.338 2.394 ( -3.603 1.518 3.408) 5.187 2.808 ( 0.369 7.615 11.395) 13.710 2.945 ( 1.533 11.696 1.028) 11.841 3.066 ( 6.946 14.294 -3.204) 16.212 3.919 ( -2.867 -16.339 6.124) 17.683 4.470 ( -1.162 -6.337 -1.700) 6.663 4.919 ( 1.410 5.723 -1.090) 5.994 5.241 ( 0.615 -3.018 -5.652) 6.437 5.560 ( 6.485 1.572 5.556) 8.683 5.636 ( 2.521 0.217 0.647) 2.611 6.392 ( 11.201 1.929 -6.905) 13.299 6.659 ( -0.642 5.034 8.485) 9.887 7.020 ( 14.760 -7.515 0.406) 16.568 7.366 ( 0.817 9.381 -5.141) 10.729 7.974 ( -12.705 3.924 5.316) 14.320 8.221 ( -7.139 -16.560 7.582) 19.562 8.906 ( -12.802 0.601 -3.916) 13.401 10.029 ( 8.470 -2.169 -0.880) 8.787 10.615 ( 5.419 17.401 -6.269) 19.273 10.646 ( -2.277 -13.077 5.814) 14.492 11.542 ( -13.083 5.895 1.714) 14.452 11.763 ( -6.589 -6.078 -2.213) 9.234 14.445 ( 13.608 -5.674 -4.541) 15.427 15.196 ( -8.373 -5.644 3.882) 10.818 15.409 ( 9.859 22.341 -1.496) 24.465 15.864 ( -3.362 0.920 8.376) 9.072 ======================= Grid point 281 (144/172) ======================= q-point: ( 0.30 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( -6.295 5.016 0.859) 8.095 1.763 ( -0.863 -0.271 4.779) 4.864 1.892 ( 0.409 6.343 4.196) 7.616 1.935 ( 11.858 -9.372 -0.959) 15.145 2.392 ( -4.377 6.405 -0.073) 7.758 2.724 ( -4.764 7.228 5.087) 10.041 2.829 ( -8.492 5.833 -10.365) 14.614 3.252 ( -9.108 -10.091 -16.441) 21.334 4.163 ( 12.133 -9.762 -1.625) 15.657 4.560 ( 2.943 -2.614 -4.203) 5.758 4.844 ( 0.145 -0.483 2.419) 2.471 5.194 ( 2.946 -2.820 5.968) 7.228 5.490 ( 4.021 2.819 -0.572) 4.944 5.706 ( 1.145 -0.946 -7.788) 7.928 6.058 ( 8.385 13.284 1.260) 15.759 6.689 ( 1.359 7.689 -2.725) 8.270 6.811 ( -5.131 5.827 8.296) 11.362 7.291 ( 4.510 4.011 -3.493) 6.974 8.131 ( -5.131 -10.970 6.785) 13.882 8.642 ( 9.233 -15.683 -10.408) 20.965 9.092 ( -13.419 -11.529 1.045) 17.722 9.807 ( 6.393 15.647 3.549) 17.271 10.318 ( -8.993 8.424 2.707) 12.616 10.923 ( 9.298 -9.955 -6.957) 15.296 11.750 ( -3.306 -7.900 -2.206) 8.843 11.876 ( -2.730 -7.859 2.816) 8.783 14.233 ( 2.631 9.457 0.831) 9.851 15.001 ( -15.136 14.772 6.887) 22.242 15.428 ( 3.373 -6.111 -6.059) 9.243 16.059 ( -0.709 -2.678 -11.474) 11.804 ======================= Grid point 282 (145/172) ======================= q-point: ( 0.40 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( -6.559 13.066 -1.350) 14.683 1.742 ( -1.457 -0.817 -0.152) 1.677 1.959 ( 0.839 0.724 3.117) 3.308 2.070 ( 7.538 -7.614 5.146) 11.886 2.405 ( 0.742 5.008 0.814) 5.128 2.671 ( -8.984 1.999 -6.166) 11.078 2.745 ( -3.834 8.393 -2.246) 9.496 2.956 ( -5.475 -6.127 -6.712) 10.610 4.221 ( 7.666 -11.640 -0.784) 13.959 4.571 ( 2.944 -1.739 -1.423) 3.703 4.852 ( 0.774 -1.917 3.279) 3.876 5.290 ( 5.735 -0.102 2.695) 6.338 5.580 ( 3.464 4.345 -1.643) 5.795 5.686 ( 2.313 -0.046 -8.517) 8.826 6.260 ( -0.029 9.342 3.173) 9.866 6.574 ( -12.515 -1.233 2.076) 12.746 7.034 ( 5.977 17.720 0.069) 18.701 7.421 ( 15.035 -5.238 0.895) 15.947 7.932 ( -8.925 -9.933 -3.426) 13.787 8.516 ( -0.849 -23.381 6.695) 24.335 8.884 ( -0.071 -0.916 -5.295) 5.374 9.980 ( -2.057 8.500 2.303) 9.044 10.278 ( -9.943 13.771 2.682) 17.195 10.952 ( 11.625 -10.750 -5.574) 16.786 11.547 ( -3.484 -13.279 -5.048) 14.627 11.848 ( 3.237 -6.665 6.056) 9.570 14.356 ( -3.400 17.298 -1.389) 17.684 14.971 ( -14.133 20.389 4.865) 25.281 15.406 ( 7.823 -13.481 0.229) 15.589 15.930 ( -1.225 -6.007 -9.640) 11.424 ======================= Grid point 283 (146/172) ======================= q-point: (-0.50 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( -4.382 17.248 -2.417) 17.959 1.720 ( 0.228 0.804 -2.461) 2.599 1.952 ( -0.322 -4.729 -0.262) 4.748 2.042 ( -2.251 -11.795 4.259) 12.741 2.455 ( -0.034 -7.351 -3.633) 8.200 2.613 ( -0.451 18.426 4.365) 18.941 2.748 ( -2.764 6.390 -2.037) 7.254 2.876 ( -0.396 -0.662 2.142) 2.277 4.177 ( 1.629 -14.039 2.054) 14.281 4.596 ( 1.268 0.408 0.517) 1.428 4.876 ( 3.685 -4.294 -0.197) 5.662 5.368 ( 1.303 -1.410 1.973) 2.753 5.632 ( -2.992 -3.149 0.437) 4.366 5.651 ( 3.068 6.048 -7.059) 9.789 6.210 ( -15.567 -3.981 4.776) 16.763 6.414 ( -7.287 10.711 -3.731) 13.481 7.161 ( 0.919 3.821 -7.624) 8.577 7.627 ( -12.307 -5.564 -7.292) 15.349 7.728 ( 20.725 -11.633 14.230) 27.701 8.384 ( -1.746 -9.927 14.096) 17.330 8.970 ( 13.887 -1.115 -5.728) 15.064 9.935 ( -10.837 7.294 -2.725) 13.344 10.303 ( -6.153 12.944 3.960) 14.869 10.982 ( 9.407 -16.518 -4.179) 19.463 11.450 ( 6.365 -0.132 -4.391) 7.734 11.904 ( 5.789 -6.753 5.476) 10.446 14.399 ( -9.114 17.675 -5.269) 20.572 14.988 ( -11.341 20.365 5.035) 23.848 15.430 ( 9.709 -17.487 5.819) 20.831 15.797 ( -1.874 -4.183 -5.726) 7.335 ======================= Grid point 284 (147/172) ======================= q-point: (-0.40 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( -1.959 12.968 -3.619) 13.606 1.736 ( 3.597 -1.820 -3.429) 5.293 1.876 ( 1.197 -12.163 0.741) 12.244 1.924 ( -4.490 -2.000 3.042) 5.780 2.379 ( -2.563 1.975 -1.207) 3.453 2.746 ( -3.576 6.843 -0.160) 7.722 2.813 ( -1.134 16.609 -0.833) 16.669 2.965 ( 6.696 -1.516 13.927) 15.527 4.067 ( -1.542 -14.381 6.046) 15.676 4.623 ( -0.355 2.300 0.415) 2.364 4.846 ( 2.690 -9.681 -6.031) 11.719 5.341 ( -3.046 -3.496 7.283) 8.634 5.557 ( -4.278 -1.336 -1.765) 4.817 5.721 ( 5.080 6.911 -6.792) 10.940 5.890 ( -20.140 -0.507 3.500) 20.448 6.448 ( 1.027 10.110 -3.788) 10.845 7.097 ( -2.788 -7.360 0.108) 7.871 7.337 ( -6.672 -0.607 -14.608) 16.071 8.001 ( 12.933 -18.276 21.909) 31.325 8.450 ( -4.123 6.752 14.818) 16.798 9.187 ( 23.510 -7.468 -7.805) 25.873 9.773 ( -14.817 8.941 -5.445) 18.142 10.354 ( -3.249 11.017 1.147) 11.543 10.889 ( 2.672 -18.781 0.527) 18.977 11.648 ( 12.422 6.704 -2.278) 14.298 11.963 ( 3.411 -3.166 2.995) 5.534 14.327 ( -8.572 8.400 -7.927) 14.384 15.059 ( -7.734 21.460 5.055) 23.364 15.418 ( 3.942 -16.667 3.220) 17.427 15.774 ( 2.045 0.611 4.937) 5.378 ======================= Grid point 285 (148/172) ======================= q-point: (-0.30 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( -0.456 2.798 -5.447) 6.141 1.663 ( 6.019 -22.088 -1.624) 22.951 1.872 ( -2.455 5.960 2.230) 6.821 1.944 ( 2.819 8.448 -2.069) 9.143 2.409 ( 1.175 7.211 1.469) 7.452 2.775 ( -2.583 7.562 4.006) 8.939 2.905 ( -0.387 12.466 -3.653) 12.996 3.152 ( -0.264 2.685 17.987) 18.188 3.962 ( -1.391 -13.548 7.898) 15.743 4.576 ( -5.443 -2.022 -2.154) 6.193 4.797 ( 5.894 -3.505 -2.234) 7.212 5.318 ( -4.124 -0.529 0.971) 4.269 5.445 ( -1.365 -0.667 -5.332) 5.544 5.696 ( -11.267 4.842 8.083) 14.687 5.878 ( 12.501 5.380 -6.239) 14.971 6.547 ( 5.234 3.212 -2.210) 6.527 6.965 ( -6.200 -2.855 2.437) 7.248 7.268 ( 3.282 5.337 -7.134) 9.495 8.114 ( 6.499 -17.235 15.340) 23.971 8.464 ( -11.512 3.380 10.697) 16.074 9.425 ( 8.274 -4.828 -4.639) 10.643 9.590 ( -1.836 3.956 -5.809) 7.264 10.431 ( 2.157 9.447 -3.712) 10.377 10.763 ( -1.622 -13.303 5.462) 14.472 11.810 ( 1.909 2.442 0.866) 3.218 11.979 ( -2.977 1.168 -0.423) 3.226 14.208 ( -1.046 -4.494 -7.392) 8.714 15.211 ( -1.054 20.600 0.030) 20.627 15.343 ( -0.787 -5.501 4.510) 7.157 15.889 ( 2.431 1.022 11.749) 12.042 ======================= Grid point 286 (149/172) ======================= q-point: (-0.20 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( 0.867 -4.964 -6.918) 8.559 1.562 ( 6.850 -19.163 -3.698) 20.684 1.906 ( -3.020 10.411 -1.558) 10.952 2.048 ( 0.124 8.316 -0.793) 8.355 2.532 ( -0.749 9.325 4.204) 10.256 2.864 ( 4.018 2.617 4.122) 6.323 3.017 ( 3.302 14.142 -4.003) 15.064 3.227 ( -7.895 5.586 15.515) 18.283 3.865 ( -2.574 -10.567 6.275) 12.557 4.481 ( -4.411 -0.510 3.226) 5.488 4.904 ( 6.417 3.124 -0.681) 7.169 5.209 ( -4.520 1.757 -7.801) 9.186 5.486 ( 6.640 1.970 -0.489) 6.943 5.661 ( -3.847 1.134 4.634) 6.128 6.117 ( 16.646 2.576 -6.547) 18.072 6.643 ( 6.870 -3.825 3.010) 8.419 6.943 ( -0.038 7.270 3.444) 8.045 7.383 ( 3.499 9.416 0.304) 10.050 8.089 ( -1.188 -8.487 -0.360) 8.577 8.340 ( -11.449 -4.098 12.855) 17.695 9.165 ( -20.890 -0.453 -5.788) 21.682 9.793 ( 16.426 -4.798 0.197) 17.114 10.524 ( 6.266 -1.001 -3.050) 7.041 10.693 ( -2.127 0.981 2.300) 3.282 11.796 ( -10.683 4.597 -1.502) 11.727 11.851 ( -7.602 -0.643 1.162) 7.717 14.134 ( 8.364 -15.172 -4.813) 17.981 15.256 ( -1.638 1.314 -0.254) 2.115 15.509 ( 4.360 21.069 2.333) 21.642 15.989 ( -1.931 0.784 12.452) 12.626 ======================= Grid point 342 (150/172) ======================= q-point: ( 0.30 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( 0.000 0.000 17.237) 17.237 1.188 ( 0.000 0.000 17.237) 17.237 1.342 ( 0.000 0.000 7.531) 7.531 2.168 ( -0.000 -0.000 -27.432) 27.432 2.631 ( 0.000 -0.000 -10.073) 10.073 2.631 ( -0.000 -0.000 -10.073) 10.073 3.382 ( 0.000 0.000 1.828) 1.828 3.382 ( 0.000 -0.000 1.828) 1.828 4.269 ( 0.000 0.000 2.191) 2.191 5.156 ( 0.000 0.000 3.613) 3.613 5.156 ( -0.000 -0.000 3.613) 3.613 5.162 ( -0.000 -0.000 -1.056) 1.056 6.014 ( 0.000 0.000 0.778) 0.778 6.014 ( 0.000 0.000 0.778) 0.778 6.251 ( 0.000 0.000 0.743) 0.743 6.900 ( 0.000 -0.000 -11.378) 11.378 6.900 ( 0.000 -0.000 -11.378) 11.378 7.796 ( -0.000 -0.000 -20.623) 20.623 8.487 ( 0.000 0.000 7.297) 7.297 8.487 ( -0.000 -0.000 7.297) 7.297 8.957 ( 0.000 0.000 -0.323) 0.323 8.957 ( -0.000 -0.000 -0.323) 0.323 11.615 ( 0.000 0.000 3.167) 3.167 11.615 ( -0.000 0.000 3.167) 3.167 11.808 ( 0.000 0.000 13.914) 13.914 12.109 ( 0.000 0.000 -2.116) 2.116 12.109 ( -0.000 -0.000 -2.116) 2.116 13.659 ( 0.000 0.000 3.300) 3.300 15.788 ( 0.000 0.000 6.885) 6.885 16.874 ( -0.000 -0.000 -6.618) 6.618 ======================= Grid point 343 (151/172) ======================= q-point: ( 0.40 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( 2.378 -5.286 14.695) 15.797 1.295 ( -3.964 -0.362 0.034) 3.981 1.572 ( 13.469 11.428 7.813) 19.315 1.961 ( -3.349 -2.062 -19.284) 19.681 2.425 ( -6.296 -1.646 -8.949) 11.065 2.685 ( 5.055 1.328 -8.724) 10.170 3.215 ( -10.268 -7.311 3.894) 13.193 3.480 ( 2.545 2.344 -3.275) 4.764 4.334 ( 4.183 2.015 3.746) 5.966 4.989 ( -13.055 5.168 1.337) 14.104 5.152 ( 6.881 -14.544 2.815) 16.334 5.339 ( 3.336 4.806 -0.303) 5.858 5.990 ( -2.482 -0.621 1.414) 2.923 6.061 ( 2.204 -1.131 2.070) 3.228 6.249 ( -0.848 3.490 -0.088) 3.593 6.687 ( -15.340 2.809 -10.964) 19.064 6.750 ( -9.621 -4.149 -9.372) 14.058 7.621 ( 6.313 -15.912 -12.362) 21.115 8.395 ( -7.823 -3.649 6.275) 10.672 8.712 ( 9.146 -4.453 7.040) 12.371 8.800 ( -6.111 17.076 -1.357) 18.187 9.310 ( 21.495 7.414 -3.068) 22.944 11.002 ( -48.199 -7.014 9.710) 49.665 11.550 ( 4.244 -18.382 1.816) 18.953 11.637 ( -5.117 -6.267 -0.507) 8.107 12.211 ( 5.017 2.992 -2.970) 6.553 12.828 ( 33.087 21.877 9.345) 40.751 13.768 ( 7.556 6.434 -4.039) 10.715 15.813 ( -1.958 -1.008 6.243) 6.620 16.754 ( -6.308 -4.150 -6.811) 10.168 ======================= Grid point 344 (152/172) ======================= q-point: ( 0.50 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( -6.396 -2.053 -20.482) 21.555 1.359 ( 7.140 -2.573 10.734) 13.146 1.819 ( -0.195 -1.004 -2.432) 2.638 1.915 ( 9.818 9.162 -0.576) 13.442 2.337 ( -0.816 4.209 -0.580) 4.326 2.685 ( 1.191 -1.866 -6.977) 7.320 2.983 ( -11.816 -8.988 3.461) 15.244 3.460 ( -0.686 0.457 -9.694) 9.729 4.473 ( 5.717 3.235 4.223) 7.809 4.844 ( -12.676 4.952 -0.752) 13.630 5.092 ( 1.123 -16.595 1.351) 16.688 5.365 ( -0.158 -1.478 2.478) 2.889 5.922 ( -9.667 4.282 -4.328) 11.425 5.990 ( -3.723 -8.596 -7.854) 12.225 6.339 ( 2.421 2.423 5.847) 6.776 6.375 ( -15.568 6.598 -3.716) 17.312 6.531 ( -7.025 -2.312 0.284) 7.401 7.514 ( 7.692 -24.958 -2.101) 26.201 8.286 ( -7.342 4.691 2.004) 8.940 8.842 ( 4.750 11.354 1.058) 12.353 8.967 ( 8.454 1.018 2.388) 8.844 9.676 ( 17.493 7.094 -3.605) 19.218 10.278 ( -39.245 -5.550 3.362) 39.778 11.430 ( -3.510 -7.902 0.817) 8.685 11.594 ( 6.365 -11.076 3.180) 13.165 12.246 ( -2.584 4.388 -4.003) 6.478 13.485 ( 21.558 9.061 11.137) 25.901 13.962 ( 13.081 14.177 -10.742) 22.079 15.790 ( -3.904 -1.725 4.693) 6.343 16.520 ( -9.565 -7.319 -8.018) 14.469 ======================= Grid point 345 (153/172) ======================= q-point: ( 0.60 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( 1.677 3.781 -20.621) 21.032 1.534 ( 8.980 -0.869 6.563) 11.156 1.833 ( 0.235 0.028 5.786) 5.791 2.096 ( 7.632 6.293 -5.784) 11.459 2.436 ( -0.759 8.250 3.759) 9.098 2.562 ( -4.891 -9.690 -1.851) 11.011 2.767 ( -5.557 -5.171 -0.611) 7.616 3.360 ( -1.355 0.648 -14.903) 14.978 4.590 ( 2.361 1.890 1.515) 3.382 4.603 ( -14.455 -4.665 -5.501) 16.155 4.981 ( -3.035 -7.093 5.669) 9.574 5.383 ( -1.011 -0.293 7.772) 7.843 5.694 ( -15.529 4.760 -9.233) 18.682 5.768 ( -4.281 -7.101 -9.878) 12.896 6.104 ( -10.698 -9.095 -3.461) 14.462 6.409 ( 7.313 -7.370 -2.261) 10.625 6.662 ( 1.294 15.182 18.999) 24.354 7.361 ( -0.676 -19.873 3.068) 20.119 8.289 ( -2.798 11.104 -1.183) 11.512 9.025 ( 3.986 -12.970 -7.821) 15.661 9.081 ( 5.620 17.629 2.724) 18.702 9.688 ( -17.050 -11.929 3.797) 21.153 9.995 ( 8.004 12.593 -4.704) 15.646 11.299 ( -9.126 -2.911 1.638) 9.718 11.642 ( 10.970 -13.019 2.203) 17.166 12.158 ( -9.427 4.896 -4.164) 11.410 13.850 ( 13.747 4.474 2.439) 14.661 14.338 ( 19.126 17.117 -2.345) 25.774 15.716 ( -6.901 -2.510 3.745) 8.243 16.227 ( -8.833 -8.395 -10.918) 16.361 ======================= Grid point 346 (154/172) ======================= q-point: (-0.30 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( 12.630 9.813 -2.605) 16.205 1.711 ( 8.903 -0.032 3.696) 9.640 1.863 ( -1.174 -0.099 4.675) 4.821 2.100 ( -12.818 -6.716 -5.083) 15.338 2.315 ( 0.260 0.689 1.072) 1.301 2.627 ( 7.166 1.602 4.520) 8.623 2.732 ( 4.107 3.782 -4.562) 7.210 3.245 ( -0.325 1.697 -17.688) 17.772 4.281 ( -13.049 -7.344 -6.573) 16.353 4.603 ( -1.711 0.886 -0.403) 1.968 4.893 ( -6.067 -5.800 5.586) 10.082 5.395 ( -10.393 6.743 6.401) 13.945 5.470 ( -4.281 -2.177 -4.950) 6.897 5.662 ( 1.912 2.794 -8.023) 8.708 5.875 ( -2.241 -11.498 0.005) 11.714 6.466 ( 9.134 -6.889 -1.054) 11.489 6.939 ( -0.743 11.759 16.805) 20.524 7.203 ( -1.023 -9.708 0.791) 9.793 8.338 ( -4.383 10.206 -1.614) 11.224 8.697 ( -10.666 -14.301 -21.705) 28.096 9.344 ( -0.135 20.558 5.459) 21.271 9.524 ( 7.175 -18.925 5.958) 21.098 10.213 ( 9.012 8.632 -1.454) 12.563 11.073 ( -14.001 -5.654 -1.706) 15.196 11.731 ( 8.943 -5.315 1.056) 10.457 12.026 ( -7.493 2.833 -2.082) 8.277 14.099 ( 9.489 4.605 2.504) 10.840 14.789 ( 19.078 14.172 0.661) 23.775 15.552 ( -11.911 -4.621 2.041) 12.938 15.989 ( -1.749 -4.909 -13.256) 14.244 ======================= Grid point 353 (155/172) ======================= q-point: ( 0.40 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( -0.006 -7.003 -10.774) 12.850 1.428 ( -7.261 6.737 5.257) 11.214 1.553 ( 6.452 9.581 11.335) 16.183 1.874 ( 0.020 -0.565 -8.510) 8.529 2.348 ( 1.896 -8.046 -7.366) 11.072 2.634 ( -1.329 6.783 -9.297) 11.585 3.281 ( -1.757 -8.834 3.953) 9.836 3.396 ( 1.302 -5.484 -2.549) 6.186 4.368 ( -0.168 5.864 3.542) 6.852 4.932 ( 5.093 -14.713 2.854) 15.829 5.219 ( -9.472 2.660 -0.093) 9.839 5.345 ( 1.775 5.775 0.451) 6.058 6.022 ( -0.327 -4.504 1.450) 4.743 6.044 ( -0.850 -4.166 4.278) 6.031 6.227 ( 3.516 -1.032 -0.658) 3.723 6.561 ( 4.167 -8.405 -9.369) 13.259 6.823 ( 6.483 2.581 -9.908) 12.119 7.514 ( -14.745 -1.175 -10.966) 18.413 8.444 ( -1.174 -8.136 4.109) 9.190 8.748 ( -4.904 0.866 4.149) 6.482 8.879 ( 17.245 12.629 2.712) 21.546 9.203 ( -6.974 13.946 -3.674) 16.019 10.844 ( 7.240 -56.438 9.763) 57.732 11.637 ( -2.746 -5.200 1.916) 6.185 11.898 ( -7.301 5.363 -3.891) 9.859 12.029 ( 0.152 -1.773 0.028) 1.780 12.898 ( 2.159 42.664 7.358) 43.347 13.755 ( 1.464 7.327 -3.250) 8.148 15.853 ( 0.157 -2.917 6.218) 6.870 16.698 ( -0.443 -9.291 -6.400) 11.291 ======================= Grid point 354 (156/172) ======================= q-point: ( 0.50 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( -2.929 -7.159 -26.188) 27.306 1.431 ( -4.106 5.002 10.959) 12.727 1.790 ( 4.624 4.485 1.010) 6.521 1.878 ( 3.351 5.231 -0.907) 6.278 2.323 ( 4.482 -1.855 2.028) 5.258 2.620 ( 0.187 4.727 -9.578) 10.682 3.096 ( -10.127 -11.368 4.143) 15.779 3.351 ( 2.269 -8.485 -5.698) 10.470 4.472 ( 3.069 5.366 3.301) 7.008 4.879 ( 1.991 -15.011 0.846) 15.166 5.102 ( -8.642 3.194 1.587) 9.349 5.360 ( -0.658 -2.196 2.459) 3.362 5.923 ( -4.102 -11.789 -1.985) 12.639 5.949 ( -1.606 -6.921 -5.509) 8.990 6.308 ( 3.613 1.604 -5.400) 6.693 6.541 ( -0.218 0.796 5.160) 5.225 6.791 ( -10.061 9.075 -9.344) 16.459 7.266 ( -3.041 -6.453 4.086) 8.221 8.395 ( 1.692 -6.853 -0.230) 7.063 8.670 ( -2.962 -1.593 1.997) 3.912 9.196 ( -5.793 21.522 1.036) 22.312 9.384 ( 22.517 2.319 -1.313) 22.674 10.420 ( -6.780 -41.108 1.927) 41.708 11.507 ( -5.051 -6.158 -1.540) 8.112 11.653 ( -18.872 6.560 8.037) 21.535 12.165 ( 10.394 -2.700 -4.055) 11.479 13.424 ( 11.640 23.137 9.005) 27.421 13.882 ( 7.995 16.615 -9.659) 20.815 15.848 ( -1.816 -3.575 5.248) 6.605 16.497 ( -5.786 -13.519 -6.065) 15.906 ======================= Grid point 355 (157/172) ======================= q-point: ( 0.60 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.759 ( 2.192 3.164 -24.035) 24.341 1.521 ( 1.028 3.954 9.011) 9.894 1.864 ( 1.297 1.770 4.449) 4.961 2.017 ( 7.163 9.028 -4.620) 12.417 2.433 ( 5.078 -3.433 5.625) 8.320 2.584 ( -2.533 5.513 -8.324) 10.300 2.838 ( -10.941 -11.571 3.460) 16.296 3.234 ( 0.307 -8.544 -9.918) 13.094 4.565 ( 2.253 -2.785 1.630) 3.935 4.700 ( -8.313 -5.963 -4.856) 11.324 5.036 ( -4.039 -2.745 6.623) 8.229 5.383 ( 3.274 -2.550 7.118) 8.239 5.671 ( -5.833 -8.717 -11.266) 15.392 5.827 ( -3.466 -5.560 -5.864) 8.792 6.272 ( -0.671 -0.836 -5.353) 5.459 6.394 ( -22.025 2.871 0.398) 22.215 6.838 ( 7.352 7.352 7.140) 12.613 7.287 ( -1.646 -2.169 14.129) 14.389 8.368 ( 2.104 1.051 -6.781) 7.177 8.669 ( 7.254 -13.032 0.002) 14.915 9.251 ( -4.378 10.623 -3.501) 12.011 9.658 ( 6.978 -9.212 4.783) 12.508 10.038 ( -4.410 -1.417 -7.807) 9.078 11.409 ( 2.752 -10.144 0.565) 10.526 11.490 ( -13.548 0.116 8.215) 15.845 12.208 ( 1.236 -2.775 -4.677) 5.577 13.758 ( 8.963 10.523 3.778) 14.330 14.232 ( 15.636 24.292 -5.503) 29.409 15.806 ( -3.471 -3.019 4.555) 6.474 16.195 ( -9.084 -15.667 -6.989) 19.412 ======================= Grid point 356 (158/172) ======================= q-point: ( 0.70 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( 14.473 14.388 -5.775) 21.210 1.641 ( 3.967 2.036 5.700) 7.237 1.920 ( -0.766 1.506 3.773) 4.134 2.152 ( -2.124 4.101 -4.955) 6.773 2.378 ( -4.014 -4.154 1.249) 5.910 2.597 ( 1.056 0.089 4.872) 4.986 2.676 ( 1.590 1.113 -4.012) 4.457 3.093 ( 1.080 -7.212 -12.809) 14.739 4.373 ( -11.543 -9.418 -3.949) 15.412 4.617 ( -0.964 1.374 -2.392) 2.922 4.972 ( -4.549 -7.647 7.126) 11.400 5.474 ( -3.661 -2.354 -8.448) 9.503 5.516 ( 6.757 0.151 6.626) 9.465 5.665 ( -7.306 1.417 -5.764) 9.413 6.057 ( -21.039 5.739 0.482) 21.813 6.294 ( 6.288 -1.537 -0.221) 6.477 7.076 ( 8.196 0.594 8.520) 11.838 7.296 ( -11.006 5.394 15.186) 19.515 8.384 ( 7.770 -3.906 -16.320) 18.492 8.507 ( -9.244 -11.615 -9.258) 17.495 9.230 ( 6.550 -13.300 -0.156) 14.826 9.623 ( -5.174 9.510 6.328) 12.540 10.153 ( 8.248 11.627 -5.035) 15.119 11.225 ( -12.748 -12.399 2.945) 18.026 11.491 ( 9.892 -5.715 3.475) 11.941 12.102 ( -5.075 -4.508 -4.526) 8.159 14.046 ( 10.330 13.237 3.306) 17.113 14.669 ( 15.597 20.399 -2.812) 25.832 15.725 ( -10.598 -5.481 7.453) 14.068 15.865 ( -3.767 -11.700 -12.162) 17.291 ======================= Grid point 363 (159/172) ======================= q-point: ( 0.40 0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( 4.056 -8.492 -26.518) 28.138 1.559 ( 4.832 12.602 7.176) 15.285 1.748 ( -11.023 4.797 1.665) 12.136 1.851 ( 0.431 1.553 0.839) 1.817 2.240 ( -1.968 -5.609 0.985) 6.025 2.663 ( -1.558 5.161 -8.422) 9.999 3.134 ( 10.087 -8.601 3.026) 13.597 3.330 ( -2.808 -10.572 -5.193) 12.109 4.475 ( -2.971 5.767 3.266) 7.263 4.765 ( 2.621 -12.624 2.712) 13.176 5.280 ( 3.378 0.665 -4.499) 5.665 5.398 ( -0.950 3.065 3.349) 4.639 5.841 ( 8.669 -17.063 -4.063) 19.565 5.990 ( -0.921 -8.009 -1.643) 8.227 6.237 ( -3.067 -4.048 2.857) 5.827 6.403 ( 3.928 1.101 1.762) 4.443 6.666 ( 9.546 6.498 -2.575) 11.831 7.699 ( -8.823 9.425 -12.388) 17.893 8.456 ( 24.814 2.683 3.145) 25.156 8.478 ( -12.632 -14.692 1.214) 19.414 9.090 ( -7.520 11.457 6.796) 15.297 9.482 ( -13.363 12.032 -5.129) 18.699 10.269 ( 13.382 -43.769 10.819) 47.030 11.568 ( 9.713 -3.088 -3.570) 10.800 11.767 ( 0.686 2.168 0.969) 2.472 12.145 ( -1.322 -2.051 -2.878) 3.773 13.464 ( -16.128 30.093 10.009) 35.579 13.791 ( -3.242 8.551 -8.439) 12.444 15.837 ( 2.271 -4.310 5.102) 7.054 16.521 ( 4.711 -11.685 -6.560) 14.205 ======================= Grid point 364 (160/172) ======================= q-point: ( 0.50 0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.753 ( 1.142 -6.741 -26.215) 27.092 1.652 ( -7.759 5.280 3.426) 9.991 1.765 ( 4.750 8.163 -0.669) 9.468 1.886 ( -0.036 3.351 0.235) 3.359 2.256 ( 4.132 -0.963 8.796) 9.766 2.627 ( -1.560 5.817 -9.092) 10.906 3.126 ( -4.955 -14.669 -0.891) 15.509 3.179 ( 4.505 -10.319 1.380) 11.344 4.504 ( -0.716 1.209 3.215) 3.509 4.728 ( 3.359 -10.204 2.514) 11.033 5.229 ( -4.699 0.716 -3.940) 6.174 5.392 ( -2.767 -3.365 5.697) 7.171 5.780 ( 4.977 -14.891 -4.837) 16.429 5.868 ( -3.071 -11.580 -0.993) 12.021 6.222 ( 2.647 -1.345 -0.076) 2.970 6.458 ( 6.607 -2.743 -3.278) 7.869 6.882 ( 2.497 13.604 -0.645) 13.846 7.471 ( -12.841 4.821 -4.335) 14.385 8.226 ( -2.603 -16.183 0.729) 16.407 8.885 ( 0.242 13.030 -0.930) 13.065 9.022 ( 10.270 -9.112 4.404) 14.418 9.494 ( -5.608 20.224 2.370) 21.120 10.094 ( 3.577 -35.119 8.687) 36.354 11.532 ( -6.082 -5.228 -1.402) 8.142 11.843 ( 15.199 -2.645 -7.931) 17.347 12.045 ( -12.101 -1.165 4.882) 13.100 13.649 ( -3.739 21.781 8.005) 23.505 13.863 ( 5.474 20.629 -10.317) 23.706 15.851 ( 0.541 -4.652 4.533) 6.518 16.379 ( -1.129 -16.843 -4.066) 17.364 ======================= Grid point 365 (161/172) ======================= q-point: ( 0.60 0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.611 ( 2.753 7.575 -17.272) 19.060 1.642 ( -2.630 4.147 4.519) 6.674 1.888 ( 1.816 4.618 2.231) 5.441 1.954 ( 6.560 8.112 -3.299) 10.942 2.371 ( 2.092 -2.619 5.428) 6.380 2.613 ( -0.031 6.821 -6.406) 9.358 2.896 ( -6.993 -14.636 1.581) 16.298 3.110 ( -1.511 -9.834 -0.470) 9.960 4.500 ( 0.816 -8.847 4.319) 9.879 4.697 ( -0.073 -4.013 -1.637) 4.335 5.112 ( -5.921 -2.499 -2.316) 6.831 5.380 ( -0.030 -4.075 9.870) 10.678 5.629 ( -5.859 -7.404 -9.397) 13.322 5.721 ( 2.368 -11.512 1.277) 11.822 6.228 ( 1.801 -2.239 -4.413) 5.266 6.594 ( 10.128 -3.133 3.482) 11.159 6.830 ( -12.295 11.245 -12.577) 20.876 7.497 ( 0.395 8.388 14.792) 17.009 8.076 ( 4.272 -20.551 -0.560) 20.998 8.770 ( -12.064 9.717 -2.563) 15.701 9.182 ( 6.393 -18.381 3.466) 19.767 9.667 ( 0.663 17.874 5.476) 18.706 9.938 ( 4.072 -8.835 -3.595) 10.371 11.358 ( -5.644 -8.046 -2.188) 10.069 11.816 ( -18.242 -1.413 7.313) 19.704 12.018 ( 12.644 -4.306 -5.346) 14.387 13.799 ( 2.454 12.643 1.591) 12.977 14.202 ( 12.113 26.896 -5.549) 30.015 15.828 ( -1.113 -3.906 1.427) 4.305 16.137 ( -6.077 -18.978 0.272) 19.930 ======================= Grid point 366 (162/172) ======================= q-point: (-0.30 -0.50 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( 11.407 18.609 -3.213) 22.063 1.682 ( -0.686 2.408 4.712) 5.336 1.955 ( 1.230 2.508 1.372) 3.112 2.196 ( 6.281 12.911 -0.148) 14.359 2.312 ( 1.438 -5.736 -3.905) 7.087 2.657 ( -9.385 -12.156 3.686) 15.793 2.667 ( 1.526 5.932 -1.463) 6.297 2.973 ( -2.954 -7.371 -3.007) 8.492 4.401 ( -4.798 -12.100 3.453) 13.467 4.631 ( -2.189 -0.173 -4.541) 5.044 4.980 ( -3.311 -7.642 0.104) 8.329 5.412 ( 0.550 -3.329 -2.511) 4.206 5.505 ( 1.914 -0.065 5.288) 5.624 5.688 ( 0.634 -4.564 0.598) 4.646 6.227 ( 2.588 1.602 -2.055) 3.672 6.461 ( -18.833 6.818 -3.713) 20.371 6.939 ( 14.029 2.923 2.148) 14.491 7.643 ( -6.600 8.081 13.812) 17.310 7.951 ( 7.771 -25.192 -5.418) 26.915 8.655 ( -13.255 8.963 -7.255) 17.569 9.011 ( 1.324 -20.600 0.784) 20.658 9.809 ( -1.847 10.349 4.945) 11.617 10.072 ( 10.753 12.245 -6.930) 17.709 11.191 ( -2.202 -14.223 1.354) 14.456 11.558 ( -14.564 -4.378 6.551) 16.559 12.045 ( 1.036 -6.363 -5.460) 8.449 14.044 ( 9.637 16.461 2.137) 19.193 14.611 ( 13.686 22.683 -3.963) 26.787 15.735 ( -2.773 -10.336 -8.124) 13.436 15.883 ( -9.321 -10.527 9.933) 17.215 ======================= Grid point 374 (163/172) ======================= q-point: ( 0.40 0.60 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.706 ( -2.186 0.982 -23.029) 23.153 1.643 ( 1.289 8.407 3.682) 9.268 1.881 ( 0.258 2.603 4.267) 5.005 1.956 ( -9.454 8.320 -4.418) 13.346 2.314 ( -6.202 -4.654 6.909) 10.386 2.647 ( 1.867 2.898 -5.751) 6.706 2.890 ( 11.439 -8.182 1.348) 14.129 3.203 ( -0.807 -11.412 -8.869) 14.475 4.572 ( 0.351 2.262 -1.921) 2.989 4.628 ( 2.874 -10.254 4.016) 11.381 5.105 ( 9.105 -4.848 -1.387) 10.408 5.440 ( 0.948 -3.388 7.414) 8.206 5.577 ( 3.150 -7.770 -8.061) 11.631 5.831 ( 8.382 -4.341 -8.456) 12.673 6.200 ( 3.406 -1.344 -1.415) 3.926 6.525 ( -11.383 -6.875 15.703) 20.577 6.621 ( 8.756 16.813 0.490) 18.962 7.724 ( 10.142 7.643 -6.657) 14.338 8.125 ( 6.492 -7.951 -3.847) 10.961 8.680 ( -18.993 -7.692 4.600) 21.001 9.219 ( 5.582 -1.953 -0.875) 5.978 9.756 ( -10.454 5.926 0.492) 12.027 9.850 ( 6.397 -9.193 2.874) 11.562 11.351 ( 8.255 -6.011 -2.118) 10.429 11.854 ( -4.194 1.425 4.031) 5.989 12.013 ( 7.082 -7.813 -5.140) 11.731 13.830 ( -5.900 10.598 -0.702) 12.150 14.119 ( -19.212 22.691 1.723) 29.782 15.773 ( 4.217 -5.548 4.510) 8.301 16.253 ( 8.306 -11.581 -8.795) 16.747 ======================= Grid point 375 (164/172) ======================= q-point: ( 0.50 0.60 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.586 ( -1.139 8.003 -13.935) 16.110 1.681 ( -0.563 1.141 -6.232) 6.361 1.894 ( -3.111 6.394 1.017) 7.183 1.965 ( -4.172 10.483 1.052) 11.331 2.302 ( 0.389 -0.891 13.429) 13.465 2.631 ( -0.846 3.527 -8.120) 8.893 2.922 ( 5.299 -15.555 -4.721) 17.097 3.085 ( 2.782 -9.534 4.701) 10.988 4.560 ( -3.661 -10.034 8.042) 13.370 4.605 ( 3.810 -1.008 -2.703) 4.779 5.170 ( 6.300 -5.325 -4.611) 9.450 5.437 ( -1.290 -6.962 9.092) 11.524 5.553 ( 4.548 0.018 -8.365) 9.522 5.794 ( -0.517 -9.733 -1.470) 9.857 6.222 ( -0.760 -0.430 1.118) 1.419 6.346 ( -4.862 -11.487 2.485) 12.718 6.935 ( 8.127 16.600 -1.260) 18.526 7.594 ( -10.055 -1.509 -14.227) 17.487 8.233 ( -2.383 -8.145 4.868) 9.784 8.591 ( 16.258 -3.711 7.157) 18.147 9.176 ( -6.095 -1.761 3.117) 7.069 9.753 ( -1.601 11.992 -3.571) 12.614 9.846 ( -0.479 -10.436 10.464) 14.787 11.464 ( 13.793 -1.366 -4.577) 14.596 11.621 ( -7.676 -12.819 -4.366) 15.567 12.124 ( 3.031 -1.877 3.183) 4.780 13.836 ( -3.176 11.197 -4.096) 12.338 14.147 ( -10.702 29.010 2.925) 31.059 15.813 ( 2.599 -4.490 4.356) 6.774 16.166 ( 3.951 -17.996 -4.484) 18.962 ======================= Grid point 376 (165/172) ======================= q-point: (-0.40 -0.40 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.645 ( -0.480 17.851 -1.466) 17.918 1.662 ( 2.245 3.748 -5.778) 7.244 1.913 ( -0.207 1.226 -0.910) 1.541 2.000 ( -2.069 9.669 3.614) 10.528 2.394 ( -0.763 -2.356 8.103) 8.473 2.610 ( 1.283 4.573 -7.253) 8.670 2.789 ( 1.012 -14.177 -2.434) 14.420 3.103 ( -0.475 -6.145 9.962) 11.714 4.452 ( -2.134 -13.588 8.110) 15.968 4.630 ( 2.303 -1.463 -2.238) 3.529 5.119 ( -1.604 -4.869 -7.030) 8.700 5.429 ( -1.571 -5.508 12.769) 13.994 5.558 ( 0.802 -1.476 -6.607) 6.817 5.646 ( -4.323 -10.929 1.927) 11.910 6.093 ( 1.928 -11.091 -1.895) 11.415 6.399 ( 10.753 1.156 -0.483) 10.825 7.024 ( -8.766 10.593 -15.135) 20.447 7.428 ( 6.444 -9.271 -3.208) 11.737 8.128 ( -10.708 1.894 12.236) 16.370 8.816 ( 10.861 -20.959 12.975) 26.937 9.143 ( -7.823 16.066 -2.930) 18.108 9.734 ( 6.178 -12.680 -1.374) 14.172 9.901 ( -4.101 16.935 4.288) 17.945 11.362 ( -6.768 -11.523 -3.750) 13.880 11.704 ( 17.281 -0.255 -3.782) 17.692 12.067 ( -9.133 -3.625 4.289) 10.721 13.894 ( -0.006 12.951 -2.898) 13.271 14.328 ( -0.340 27.104 -0.469) 27.110 15.802 ( -1.194 -4.725 -2.312) 5.395 16.027 ( 1.178 -18.738 6.426) 19.844 ======================= Grid point 378 (166/172) ======================= q-point: (-0.30 -0.40 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( 3.625 19.837 1.873) 20.253 1.726 ( 1.471 4.036 -0.386) 4.313 1.920 ( 3.412 0.139 -3.455) 4.858 2.147 ( 6.890 6.130 2.140) 9.467 2.309 ( -4.941 -4.832 -0.758) 6.953 2.642 ( 1.701 -0.487 -0.923) 1.996 2.702 ( -1.141 -1.406 -0.051) 1.812 3.056 ( -8.775 -3.097 10.969) 14.385 4.360 ( -0.744 -13.558 7.105) 15.325 4.613 ( -0.394 -1.848 -2.642) 3.249 4.966 ( -4.485 -7.029 -3.773) 9.152 5.369 ( -3.530 -6.764 -2.897) 8.161 5.499 ( 2.321 -0.451 2.273) 3.280 5.621 ( 2.866 -4.982 8.098) 9.930 6.120 ( 9.538 -3.845 -2.055) 10.487 6.606 ( 7.859 0.738 2.850) 8.393 6.835 ( -4.703 10.537 -16.019) 19.742 7.458 ( 10.719 -16.862 -0.144) 19.981 8.066 ( -12.661 5.025 10.282) 17.067 8.822 ( 3.179 -17.737 12.780) 22.092 8.984 ( -20.342 6.762 -5.895) 22.232 9.825 ( 11.178 2.362 -5.561) 12.707 10.052 ( 2.034 16.614 1.159) 16.778 11.135 ( -5.240 -13.700 0.256) 14.670 11.784 ( -9.447 -8.152 5.525) 13.647 11.937 ( -0.115 0.893 -4.490) 4.579 14.062 ( 6.862 14.477 -0.395) 16.026 14.621 ( 8.116 24.107 -2.571) 25.566 15.642 ( -4.108 -12.465 -5.195) 14.116 15.967 ( -2.555 -8.150 12.537) 15.170 ======================= Grid point 457 (167/172) ======================= q-point: ( 0.40 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( -0.000 -0.000 -23.453) 23.453 1.493 ( 0.000 0.000 12.304) 12.304 1.493 ( 0.000 0.000 12.304) 12.304 1.838 ( -0.000 -0.000 -3.161) 3.161 2.433 ( 0.000 -0.000 -8.816) 8.816 2.433 ( 0.000 -0.000 -8.816) 8.816 3.416 ( 0.000 0.000 1.391) 1.391 3.416 ( -0.000 -0.000 1.391) 1.391 4.330 ( 0.000 0.000 2.983) 2.983 5.158 ( 0.000 0.000 0.435) 0.435 5.205 ( 0.000 0.000 1.239) 1.239 5.205 ( -0.000 -0.000 1.239) 1.239 6.099 ( 0.000 0.000 7.383) 7.383 6.099 ( -0.000 0.000 7.383) 7.383 6.251 ( -0.000 -0.000 -0.363) 0.363 6.640 ( 0.000 -0.000 -13.493) 13.493 6.640 ( 0.000 -0.000 -13.493) 13.493 7.451 ( -0.000 -0.000 -12.649) 12.649 8.649 ( 0.000 0.000 8.120) 8.120 8.649 ( 0.000 0.000 8.120) 8.120 8.915 ( 0.000 0.000 -3.678) 3.678 8.915 ( 0.000 -0.000 -3.678) 3.678 11.681 ( 0.000 0.000 2.999) 2.999 11.681 ( -0.000 -0.000 2.999) 2.999 12.033 ( 0.000 0.000 7.967) 7.967 12.063 ( 0.000 -0.000 -2.207) 2.207 12.063 ( 0.000 -0.000 -2.207) 2.207 13.713 ( 0.000 0.000 1.954) 1.954 15.923 ( 0.000 0.000 5.857) 5.857 16.741 ( -0.000 -0.000 -5.882) 5.882 ======================= Grid point 458 (168/172) ======================= q-point: ( 0.50 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( -7.346 -3.702 -24.571) 25.911 1.497 ( -0.544 -3.293 11.533) 12.007 1.694 ( 6.231 5.443 2.016) 8.515 1.839 ( 0.822 0.598 0.624) 1.193 2.323 ( -1.321 2.398 0.290) 2.753 2.490 ( 6.190 1.132 -10.181) 11.969 3.289 ( -9.651 -6.296 3.349) 12.000 3.418 ( -2.534 -1.106 -2.904) 4.009 4.404 ( 4.692 2.729 2.477) 5.966 5.001 ( -11.068 -0.064 -0.104) 11.069 5.192 ( 2.102 -8.103 0.871) 8.417 5.338 ( 4.603 3.852 0.721) 6.045 6.037 ( -8.707 -3.526 2.875) 9.824 6.110 ( -5.848 -6.573 1.300) 8.893 6.274 ( 4.091 0.934 0.501) 4.226 6.496 ( -8.341 6.416 -5.489) 11.869 6.588 ( 0.083 0.585 -4.919) 4.954 7.406 ( 7.955 -5.351 -7.896) 12.420 8.502 ( -10.293 -8.746 4.073) 14.108 8.724 ( -3.634 6.967 -2.297) 8.186 8.911 ( 8.282 3.301 8.384) 12.239 9.218 ( 19.244 9.381 -5.791) 22.178 11.109 ( -46.055 -19.397 0.082) 49.973 11.589 ( -6.009 -5.223 2.451) 8.330 11.674 ( 1.888 -6.627 4.191) 8.065 12.140 ( 3.782 2.987 -3.829) 6.155 12.966 ( 38.178 23.054 4.131) 44.790 13.722 ( 0.026 0.884 -0.966) 1.310 15.928 ( -2.777 -1.412 4.308) 5.317 16.627 ( -6.971 -4.391 -4.845) 9.558 ======================= Grid point 459 (169/172) ======================= q-point: ( 0.60 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.608 ( -6.331 -2.379 -18.659) 19.847 1.563 ( 2.720 -1.928 9.151) 9.739 1.824 ( 6.766 5.318 -4.351) 9.644 1.880 ( 2.005 1.999 1.342) 3.133 2.413 ( 1.102 6.715 4.134) 7.962 2.513 ( 5.622 -2.060 -7.355) 9.484 3.057 ( -13.163 -8.518 3.787) 16.130 3.288 ( -6.112 -3.143 -7.161) 9.926 4.527 ( 4.207 3.172 0.908) 5.346 4.794 ( -11.037 -5.281 -3.635) 12.764 5.141 ( -2.250 -3.028 3.857) 5.395 5.440 ( 3.831 0.939 2.793) 4.833 5.774 ( -13.989 -7.615 -6.144) 17.072 5.896 ( -11.526 -5.159 -3.007) 12.981 6.265 ( -5.168 -0.579 -4.299) 6.747 6.396 ( -0.216 -5.057 2.289) 5.555 6.736 ( 4.515 10.952 12.670) 17.346 7.465 ( 8.789 -7.813 -2.615) 12.047 8.263 ( -11.878 -0.631 -2.576) 12.171 8.857 ( 6.944 12.315 1.179) 14.187 9.041 ( 4.089 -8.018 2.594) 9.367 9.579 ( 16.986 11.881 -5.311) 21.398 10.250 ( -35.233 -16.600 -5.651) 39.356 11.479 ( -7.821 1.425 3.333) 8.620 11.691 ( 6.510 -13.900 6.440) 16.645 12.151 ( -4.019 5.640 -5.210) 8.666 13.679 ( 17.775 4.984 8.500) 20.323 13.792 ( 16.204 15.361 -6.749) 23.326 15.876 ( -4.304 -1.921 2.534) 5.352 16.379 ( -12.521 -8.115 -4.585) 15.610 ======================= Grid point 469 (170/172) ======================= q-point: ( 0.50 0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.786 ( 0.273 -9.644 -15.636) 18.373 1.608 ( -3.740 2.298 7.743) 8.901 1.662 ( 3.204 2.571 -1.749) 4.465 1.846 ( -0.007 1.615 0.536) 1.701 2.313 ( 2.149 -0.038 4.777) 5.238 2.440 ( -1.705 6.751 -8.984) 11.366 3.346 ( -2.355 -9.354 -1.492) 9.761 3.358 ( 2.200 -6.706 2.386) 7.450 4.419 ( -0.018 5.732 1.068) 5.831 4.981 ( 2.472 -12.310 1.863) 12.693 5.206 ( -3.642 -0.482 -0.868) 3.775 5.351 ( 0.293 6.872 -0.066) 6.878 6.081 ( 0.564 -10.031 3.514) 10.644 6.089 ( -0.775 -15.747 -1.282) 15.818 6.235 ( -1.361 0.427 2.414) 2.804 6.457 ( 4.867 0.871 -1.146) 5.075 6.631 ( 0.752 10.814 -7.653) 13.269 7.353 ( -4.257 3.307 -3.381) 6.363 8.520 ( -1.672 -14.544 2.525) 14.856 8.725 ( 1.854 1.786 -2.563) 3.633 9.003 ( 5.656 9.610 3.489) 11.684 9.130 ( -4.739 18.935 -1.154) 19.553 11.024 ( 1.800 -53.255 7.432) 53.802 11.638 ( -4.602 -7.055 -1.682) 8.589 11.787 ( 5.285 1.448 -6.288) 8.340 12.066 ( -3.370 2.483 3.164) 5.248 12.991 ( 0.672 45.826 1.725) 45.864 13.719 ( 0.373 -0.550 -0.663) 0.939 15.951 ( 0.095 -3.209 2.443) 4.034 16.598 ( -0.173 -8.974 -2.394) 9.289 ======================= Grid point 470 (171/172) ======================= q-point: (-0.40 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.580 ( -5.211 -9.230 -1.360) 10.686 1.623 ( -0.555 1.148 5.975) 6.110 1.745 ( 4.948 6.599 -4.134) 9.226 1.876 ( 1.528 2.215 0.023) 2.691 2.382 ( 0.798 1.535 -8.586) 8.759 2.480 ( 3.320 6.043 7.085) 9.886 3.162 ( -7.185 -12.334 1.426) 14.345 3.276 ( -4.514 -7.749 -0.959) 9.019 4.507 ( 3.427 5.098 0.107) 6.143 4.836 ( -6.647 -9.627 -3.817) 12.306 5.177 ( -0.263 -2.663 5.022) 5.690 5.423 ( 2.373 3.507 1.985) 4.677 5.818 ( -11.582 -17.322 -3.300) 21.097 5.951 ( -4.239 -10.078 1.961) 11.108 6.235 ( -0.456 -0.722 -0.222) 0.882 6.565 ( -9.188 8.318 -11.069) 16.617 6.642 ( 13.857 -0.253 1.615) 13.953 7.433 ( 2.245 8.165 12.164) 14.822 8.410 ( -2.055 -12.112 1.884) 12.429 8.615 ( -1.456 -0.945 -6.152) 6.392 9.202 ( -1.929 11.587 -2.959) 12.113 9.390 ( 15.015 15.029 3.179) 21.481 10.414 ( -20.872 -37.621 -3.315) 43.151 11.504 ( -0.634 -9.368 1.686) 9.539 11.765 ( -9.920 6.078 2.497) 11.898 12.113 ( 6.042 -3.282 -0.430) 6.889 13.556 ( 16.981 30.192 2.964) 34.766 13.731 ( 3.303 5.412 -4.327) 7.675 15.906 ( -2.157 -3.857 -0.490) 4.446 16.433 ( -7.168 -12.309 0.847) 14.269 ======================= Grid point 580 (172/172) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.831 ( 0.000 0.000 0.000) 0.000 1.633 ( 0.000 0.000 0.000) 0.000 1.633 ( 0.000 0.000 0.000) 0.000 1.832 ( 0.000 0.000 0.000) 0.000 2.328 ( 0.000 0.000 0.000) 0.000 2.328 ( 0.000 0.000 0.000) 0.000 3.431 ( 0.000 0.000 0.000) 0.000 3.431 ( 0.000 0.000 0.000) 0.000 4.363 ( 0.000 0.000 0.000) 0.000 5.165 ( 0.000 0.000 0.000) 0.000 5.216 ( 0.000 0.000 0.000) 0.000 5.216 ( -0.000 0.000 0.000) 0.000 6.239 ( 0.000 0.000 0.000) 0.000 6.239 ( 0.000 0.000 0.000) 0.000 6.246 ( 0.000 0.000 0.000) 0.000 6.438 ( 0.000 0.000 0.000) 0.000 6.438 ( 0.000 0.000 0.000) 0.000 7.318 ( 0.000 0.000 0.000) 0.000 8.776 ( 0.000 0.000 -0.000) 0.000 8.776 ( -0.000 -0.000 -0.000) 0.000 8.835 ( 0.000 0.000 0.000) 0.000 8.835 ( -0.000 -0.000 0.000) 0.000 11.716 ( 0.000 0.000 0.000) 0.000 11.716 ( 0.000 0.000 0.000) 0.000 12.036 ( 0.000 0.000 0.000) 0.000 12.036 ( 0.000 -0.000 0.000) 0.000 12.116 ( 0.000 0.000 0.000) 0.000 13.733 ( 0.000 0.000 0.000) 0.000 15.991 ( 0.000 0.000 0.000) 0.000 16.673 ( 0.000 0.000 0.000) 0.000 =================== 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 3/30000 10.0 117.996 117.996 195.576 0.000 -0.000 -0.000 3/30000 20.0 41.051 41.051 56.212 0.000 -0.000 -0.000 3/30000 30.0 23.693 23.693 29.830 0.000 -0.000 -0.000 3/30000 40.0 16.538 16.538 19.880 0.000 -0.000 -0.000 3/30000 50.0 12.564 12.564 14.682 0.000 -0.000 -0.000 3/30000 60.0 10.050 10.050 11.507 0.000 -0.000 -0.000 3/30000 70.0 8.342 8.342 9.395 0.000 -0.000 -0.000 3/30000 80.0 7.122 7.122 7.908 0.000 -0.000 -0.000 3/30000 90.0 6.215 6.215 6.814 0.000 -0.000 -0.000 3/30000 100.0 5.517 5.517 5.982 0.000 -0.000 -0.000 3/30000 110.0 4.964 4.964 5.329 0.000 -0.000 -0.000 3/30000 120.0 4.516 4.516 4.805 0.000 -0.000 -0.000 3/30000 130.0 4.146 4.146 4.376 0.000 -0.000 -0.000 3/30000 140.0 3.834 3.834 4.018 0.000 -0.000 -0.000 3/30000 150.0 3.569 3.569 3.716 0.000 -0.000 -0.000 3/30000 160.0 3.339 3.339 3.457 0.000 -0.000 -0.000 3/30000 170.0 3.138 3.138 3.233 0.000 -0.000 -0.000 3/30000 180.0 2.961 2.961 3.036 0.000 -0.000 -0.000 3/30000 190.0 2.804 2.804 2.863 0.000 -0.000 -0.000 3/30000 200.0 2.663 2.663 2.709 0.000 -0.000 -0.000 3/30000 210.0 2.536 2.536 2.572 0.000 -0.000 -0.000 3/30000 220.0 2.421 2.421 2.448 0.000 -0.000 -0.000 3/30000 230.0 2.316 2.316 2.336 0.000 -0.000 -0.000 3/30000 240.0 2.220 2.220 2.233 0.000 -0.000 -0.000 3/30000 250.0 2.132 2.132 2.140 0.000 -0.000 -0.000 3/30000 260.0 2.050 2.050 2.054 0.000 -0.000 -0.000 3/30000 270.0 1.975 1.975 1.975 0.000 -0.000 -0.000 3/30000 280.0 1.905 1.905 1.902 0.000 -0.000 -0.000 3/30000 290.0 1.840 1.840 1.835 0.000 -0.000 -0.000 3/30000 300.0 1.779 1.779 1.772 0.000 -0.000 -0.000 3/30000 310.0 1.723 1.723 1.713 0.000 -0.000 -0.000 3/30000 320.0 1.669 1.669 1.658 0.000 -0.000 -0.000 3/30000 330.0 1.619 1.619 1.607 0.000 -0.000 -0.000 3/30000 340.0 1.572 1.572 1.558 0.000 -0.000 -0.000 3/30000 350.0 1.528 1.528 1.513 0.000 -0.000 -0.000 3/30000 360.0 1.486 1.486 1.470 0.000 -0.000 -0.000 3/30000 370.0 1.446 1.446 1.430 0.000 -0.000 -0.000 3/30000 380.0 1.408 1.408 1.392 0.000 -0.000 -0.000 3/30000 390.0 1.373 1.373 1.355 0.000 -0.000 -0.000 3/30000 400.0 1.339 1.339 1.321 0.000 -0.000 -0.000 3/30000 410.0 1.306 1.306 1.288 0.000 -0.000 -0.000 3/30000 420.0 1.276 1.276 1.257 0.000 -0.000 -0.000 3/30000 430.0 1.246 1.246 1.228 0.000 -0.000 -0.000 3/30000 440.0 1.218 1.218 1.199 0.000 -0.000 -0.000 3/30000 450.0 1.191 1.191 1.172 0.000 -0.000 -0.000 3/30000 460.0 1.166 1.166 1.147 0.000 -0.000 -0.000 3/30000 470.0 1.141 1.141 1.122 0.000 -0.000 -0.000 3/30000 480.0 1.117 1.117 1.098 0.000 -0.000 -0.000 3/30000 490.0 1.095 1.095 1.076 0.000 -0.000 -0.000 3/30000 500.0 1.073 1.073 1.054 0.000 -0.000 -0.000 3/30000 510.0 1.052 1.052 1.033 0.000 -0.000 -0.000 3/30000 520.0 1.032 1.032 1.013 0.000 -0.000 -0.000 3/30000 530.0 1.013 1.013 0.994 0.000 -0.000 -0.000 3/30000 540.0 0.994 0.994 0.975 0.000 -0.000 -0.000 3/30000 550.0 0.976 0.976 0.958 0.000 -0.000 -0.000 3/30000 560.0 0.959 0.959 0.940 0.000 -0.000 -0.000 3/30000 570.0 0.942 0.942 0.924 0.000 -0.000 -0.000 3/30000 580.0 0.926 0.926 0.908 0.000 -0.000 -0.000 3/30000 590.0 0.910 0.910 0.892 0.000 -0.000 -0.000 3/30000 600.0 0.895 0.895 0.877 0.000 -0.000 -0.000 3/30000 610.0 0.881 0.881 0.863 0.000 -0.000 -0.000 3/30000 620.0 0.867 0.867 0.849 0.000 -0.000 -0.000 3/30000 630.0 0.853 0.853 0.835 0.000 -0.000 -0.000 3/30000 640.0 0.840 0.840 0.822 0.000 -0.000 -0.000 3/30000 650.0 0.827 0.827 0.810 0.000 -0.000 -0.000 3/30000 660.0 0.814 0.814 0.797 0.000 -0.000 -0.000 3/30000 670.0 0.802 0.802 0.785 0.000 -0.000 -0.000 3/30000 680.0 0.791 0.791 0.774 0.000 -0.000 -0.000 3/30000 690.0 0.779 0.779 0.762 0.000 -0.000 -0.000 3/30000 700.0 0.768 0.768 0.752 0.000 -0.000 -0.000 3/30000 710.0 0.757 0.757 0.741 0.000 -0.000 -0.000 3/30000 720.0 0.747 0.747 0.731 0.000 -0.000 -0.000 3/30000 730.0 0.737 0.737 0.721 0.000 -0.000 -0.000 3/30000 740.0 0.727 0.727 0.711 0.000 -0.000 -0.000 3/30000 750.0 0.717 0.717 0.701 0.000 -0.000 -0.000 3/30000 760.0 0.708 0.708 0.692 0.000 -0.000 -0.000 3/30000 770.0 0.699 0.699 0.683 0.000 -0.000 -0.000 3/30000 780.0 0.690 0.690 0.674 0.000 -0.000 -0.000 3/30000 790.0 0.681 0.681 0.666 0.000 -0.000 -0.000 3/30000 800.0 0.672 0.672 0.657 0.000 -0.000 -0.000 3/30000 810.0 0.664 0.664 0.649 0.000 -0.000 -0.000 3/30000 820.0 0.656 0.656 0.641 0.000 -0.000 -0.000 3/30000 830.0 0.648 0.648 0.633 0.000 -0.000 -0.000 3/30000 840.0 0.641 0.641 0.626 0.000 -0.000 -0.000 3/30000 850.0 0.633 0.633 0.619 0.000 -0.000 -0.000 3/30000 860.0 0.626 0.626 0.611 0.000 -0.000 -0.000 3/30000 870.0 0.619 0.619 0.604 0.000 -0.000 -0.000 3/30000 880.0 0.612 0.612 0.597 0.000 -0.000 -0.000 3/30000 890.0 0.605 0.605 0.591 0.000 -0.000 -0.000 3/30000 900.0 0.598 0.598 0.584 0.000 -0.000 -0.000 3/30000 910.0 0.591 0.591 0.578 0.000 -0.000 -0.000 3/30000 920.0 0.585 0.585 0.571 0.000 -0.000 -0.000 3/30000 930.0 0.579 0.579 0.565 0.000 -0.000 -0.000 3/30000 940.0 0.573 0.573 0.559 0.000 -0.000 -0.000 3/30000 950.0 0.567 0.567 0.553 0.000 -0.000 -0.000 3/30000 960.0 0.561 0.561 0.548 0.000 -0.000 -0.000 3/30000 970.0 0.555 0.555 0.542 0.000 -0.000 -0.000 3/30000 980.0 0.549 0.549 0.536 0.000 -0.000 -0.000 3/30000 990.0 0.544 0.544 0.531 0.000 -0.000 -0.000 3/30000 1000.0 0.538 0.538 0.526 0.000 -0.000 -0.000 3/30000 Thermal conductivity related properties were written into "kappa-m101010.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:36:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|