----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:04:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 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 2.753583066562966 1.589781924716120 5.075089936666661 b -2.753583066562960 1.589781924716120 5.075089936666661 c 0.000000000000002 -3.179563849432246 5.075089936666661 Atomic positions (fractional): *1 O 0.03519162053360 0.79036489507326 0.44387279848932 15.999 2 O 0.79036489507326 0.44387279848932 0.03519162053360 15.999 3 O 0.44387279848932 0.03519162053360 0.79036489507326 15.999 4 O 0.96480837946640 0.20963510492674 0.55612720151068 15.999 5 O 0.55612720151068 0.96480837946640 0.20963510492674 15.999 6 O 0.20963510492674 0.55612720151068 0.96480837946640 15.999 *7 Ca 0.36250945892971 0.36250945892971 0.36250945892971 40.078 8 Ca 0.63749054107029 0.63749054107029 0.63749054107029 40.078 *9 Sn 0.15386706020839 0.15386706020839 0.15386706020839 118.710 10 Sn 0.84613293979161 0.84613293979161 0.84613293979161 118.710 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.507166133125927 0.000000000000000 0.000000000000000 b -2.753583066562963 4.769345774148366 0.000000000000000 c 0.000000000000000 0.000000000000000 15.225269809999999 Atomic positions (fractional): *1 O 0.94538184916821 0.64593697287607 0.08980977136539 15.999 > 1 2 O 0.70055512370786 0.05461815083179 0.08980977136539 15.999 > 2 3 O 0.35406302712393 0.29944487629214 0.08980977136539 15.999 > 3 4 O 0.72128481749846 0.68739636045726 0.24352356196794 15.999 > 4 5 O 0.31260363954274 0.03388845704120 0.24352356196794 15.999 > 5 6 O 0.96611154295880 0.27871518250154 0.24352356196794 15.999 > 6 7 O 0.61204851583487 0.97927030620941 0.42314310469873 15.999 > 1 8 O 0.36722179037453 0.38795148416512 0.42314310469873 15.999 > 2 9 O 0.02072969379059 0.63277820962547 0.42314310469873 15.999 > 3 10 O 0.38795148416512 0.02072969379059 0.57685689530127 15.999 > 4 11 O 0.97927030620941 0.36722179037453 0.57685689530127 15.999 > 5 12 O 0.63277820962547 0.61204851583487 0.57685689530127 15.999 > 6 13 O 0.27871518250154 0.31260363954274 0.75647643803206 15.999 > 1 14 O 0.03388845704120 0.72128481749846 0.75647643803206 15.999 > 2 15 O 0.68739636045726 0.96611154295880 0.75647643803206 15.999 > 3 16 O 0.05461815083179 0.35406302712393 0.91019022863461 15.999 > 4 17 O 0.64593697287607 0.70055512370786 0.91019022863461 15.999 > 5 18 O 0.29944487629214 0.94538184916821 0.91019022863461 15.999 > 6 *19 Ca 0.33333333333333 0.66666666666667 0.02917612559638 40.078 > 7 20 Ca 0.33333333333333 0.66666666666667 0.30415720773695 40.078 > 8 21 Ca 0.00000000000000 0.00000000000000 0.36250945892971 40.078 > 7 22 Ca 0.00000000000000 0.00000000000000 0.63749054107029 40.078 > 8 23 Ca 0.66666666666667 0.33333333333333 0.69584279226305 40.078 > 7 24 Ca 0.66666666666667 0.33333333333333 0.97082387440362 40.078 > 8 *25 Sn 0.00000000000000 0.00000000000000 0.15386706020839 118.710 > 9 26 Sn 0.66666666666667 0.33333333333333 0.17946627312494 118.710 > 10 27 Sn 0.66666666666667 0.33333333333333 0.48720039354173 118.710 > 9 28 Sn 0.33333333333333 0.66666666666667 0.51279960645827 118.710 > 10 29 Sn 0.33333333333333 0.66666666666667 0.82053372687506 118.710 > 9 30 Sn 0.00000000000000 0.00000000000000 0.84613293979161 118.710 > 10 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.014332266251854 0.000000000000000 0.000000000000000 b -5.507166133125926 9.538691548296732 0.000000000000000 c 0.000000000000000 0.000000000000000 15.225269809999999 Atomic positions (fractional): *1 O 0.47269092458410 0.32296848643804 0.08980977136539 15.999 > 1 2 O 0.97269092458410 0.32296848643804 0.08980977136539 15.999 > 1 3 O 0.47269092458410 0.82296848643804 0.08980977136539 15.999 > 1 4 O 0.97269092458410 0.82296848643804 0.08980977136539 15.999 > 1 5 O 0.35027756185393 0.02730907541590 0.08980977136539 15.999 > 2 6 O 0.85027756185393 0.02730907541590 0.08980977136539 15.999 > 2 7 O 0.35027756185393 0.52730907541590 0.08980977136539 15.999 > 2 8 O 0.85027756185393 0.52730907541590 0.08980977136539 15.999 > 2 9 O 0.17703151356196 0.14972243814607 0.08980977136539 15.999 > 3 10 O 0.67703151356196 0.14972243814607 0.08980977136539 15.999 > 3 11 O 0.17703151356196 0.64972243814607 0.08980977136539 15.999 > 3 12 O 0.67703151356196 0.64972243814607 0.08980977136539 15.999 > 3 13 O 0.36064240874923 0.34369818022863 0.24352356196794 15.999 > 4 14 O 0.86064240874923 0.34369818022863 0.24352356196794 15.999 > 4 15 O 0.36064240874923 0.84369818022863 0.24352356196794 15.999 > 4 16 O 0.86064240874923 0.84369818022863 0.24352356196794 15.999 > 4 17 O 0.15630181977137 0.01694422852060 0.24352356196794 15.999 > 5 18 O 0.65630181977137 0.01694422852060 0.24352356196794 15.999 > 5 19 O 0.15630181977137 0.51694422852060 0.24352356196794 15.999 > 5 20 O 0.65630181977137 0.51694422852060 0.24352356196794 15.999 > 5 21 O 0.48305577147940 0.13935759125077 0.24352356196794 15.999 > 6 22 O 0.98305577147940 0.13935759125077 0.24352356196794 15.999 > 6 23 O 0.48305577147940 0.63935759125077 0.24352356196794 15.999 > 6 24 O 0.98305577147940 0.63935759125077 0.24352356196794 15.999 > 6 25 O 0.30602425791744 0.48963515310470 0.42314310469873 15.999 > 1 26 O 0.80602425791744 0.48963515310470 0.42314310469873 15.999 > 1 27 O 0.30602425791744 0.98963515310470 0.42314310469873 15.999 > 1 28 O 0.80602425791744 0.98963515310470 0.42314310469873 15.999 > 1 29 O 0.18361089518727 0.19397574208256 0.42314310469873 15.999 > 2 30 O 0.68361089518727 0.19397574208256 0.42314310469873 15.999 > 2 31 O 0.18361089518727 0.69397574208256 0.42314310469873 15.999 > 2 32 O 0.68361089518727 0.69397574208256 0.42314310469873 15.999 > 2 33 O 0.01036484689530 0.31638910481273 0.42314310469873 15.999 > 3 34 O 0.51036484689530 0.31638910481273 0.42314310469873 15.999 > 3 35 O 0.01036484689530 0.81638910481273 0.42314310469873 15.999 > 3 36 O 0.51036484689530 0.81638910481273 0.42314310469873 15.999 > 3 37 O 0.19397574208256 0.01036484689530 0.57685689530127 15.999 > 4 38 O 0.69397574208256 0.01036484689530 0.57685689530127 15.999 > 4 39 O 0.19397574208256 0.51036484689530 0.57685689530127 15.999 > 4 40 O 0.69397574208256 0.51036484689530 0.57685689530127 15.999 > 4 41 O 0.48963515310470 0.18361089518727 0.57685689530127 15.999 > 5 42 O 0.98963515310470 0.18361089518727 0.57685689530127 15.999 > 5 43 O 0.48963515310470 0.68361089518727 0.57685689530127 15.999 > 5 44 O 0.98963515310470 0.68361089518727 0.57685689530127 15.999 > 5 45 O 0.31638910481273 0.30602425791744 0.57685689530127 15.999 > 6 46 O 0.81638910481273 0.30602425791744 0.57685689530127 15.999 > 6 47 O 0.31638910481273 0.80602425791744 0.57685689530127 15.999 > 6 48 O 0.81638910481273 0.80602425791744 0.57685689530127 15.999 > 6 49 O 0.13935759125077 0.15630181977137 0.75647643803206 15.999 > 1 50 O 0.63935759125077 0.15630181977137 0.75647643803206 15.999 > 1 51 O 0.13935759125077 0.65630181977137 0.75647643803206 15.999 > 1 52 O 0.63935759125077 0.65630181977137 0.75647643803206 15.999 > 1 53 O 0.01694422852060 0.36064240874923 0.75647643803206 15.999 > 2 54 O 0.51694422852060 0.36064240874923 0.75647643803206 15.999 > 2 55 O 0.01694422852060 0.86064240874923 0.75647643803206 15.999 > 2 56 O 0.51694422852060 0.86064240874923 0.75647643803206 15.999 > 2 57 O 0.34369818022863 0.48305577147940 0.75647643803206 15.999 > 3 58 O 0.84369818022863 0.48305577147940 0.75647643803206 15.999 > 3 59 O 0.34369818022863 0.98305577147940 0.75647643803206 15.999 > 3 60 O 0.84369818022863 0.98305577147940 0.75647643803206 15.999 > 3 61 O 0.02730907541590 0.17703151356196 0.91019022863461 15.999 > 4 62 O 0.52730907541590 0.17703151356196 0.91019022863461 15.999 > 4 63 O 0.02730907541590 0.67703151356196 0.91019022863461 15.999 > 4 64 O 0.52730907541590 0.67703151356196 0.91019022863461 15.999 > 4 65 O 0.32296848643804 0.35027756185393 0.91019022863461 15.999 > 5 66 O 0.82296848643804 0.35027756185393 0.91019022863461 15.999 > 5 67 O 0.32296848643804 0.85027756185393 0.91019022863461 15.999 > 5 68 O 0.82296848643804 0.85027756185393 0.91019022863461 15.999 > 5 69 O 0.14972243814607 0.47269092458410 0.91019022863461 15.999 > 6 70 O 0.64972243814607 0.47269092458410 0.91019022863461 15.999 > 6 71 O 0.14972243814607 0.97269092458410 0.91019022863461 15.999 > 6 72 O 0.64972243814607 0.97269092458410 0.91019022863461 15.999 > 6 *73 Ca 0.16666666666667 0.33333333333333 0.02917612559638 40.078 > 7 74 Ca 0.66666666666667 0.33333333333333 0.02917612559638 40.078 > 7 75 Ca 0.16666666666667 0.83333333333333 0.02917612559638 40.078 > 7 76 Ca 0.66666666666667 0.83333333333333 0.02917612559638 40.078 > 7 77 Ca 0.16666666666667 0.33333333333333 0.30415720773695 40.078 > 8 78 Ca 0.66666666666667 0.33333333333333 0.30415720773695 40.078 > 8 79 Ca 0.16666666666667 0.83333333333333 0.30415720773695 40.078 > 8 80 Ca 0.66666666666667 0.83333333333333 0.30415720773695 40.078 > 8 81 Ca 0.00000000000000 0.00000000000000 0.36250945892971 40.078 > 7 82 Ca 0.50000000000000 0.00000000000000 0.36250945892971 40.078 > 7 83 Ca 0.00000000000000 0.50000000000000 0.36250945892971 40.078 > 7 84 Ca 0.50000000000000 0.50000000000000 0.36250945892971 40.078 > 7 85 Ca 0.00000000000000 0.00000000000000 0.63749054107029 40.078 > 8 86 Ca 0.50000000000000 0.00000000000000 0.63749054107029 40.078 > 8 87 Ca 0.00000000000000 0.50000000000000 0.63749054107029 40.078 > 8 88 Ca 0.50000000000000 0.50000000000000 0.63749054107029 40.078 > 8 89 Ca 0.33333333333333 0.16666666666667 0.69584279226305 40.078 > 7 90 Ca 0.83333333333333 0.16666666666667 0.69584279226305 40.078 > 7 91 Ca 0.33333333333333 0.66666666666667 0.69584279226305 40.078 > 7 92 Ca 0.83333333333333 0.66666666666667 0.69584279226305 40.078 > 7 93 Ca 0.33333333333333 0.16666666666667 0.97082387440362 40.078 > 8 94 Ca 0.83333333333333 0.16666666666667 0.97082387440362 40.078 > 8 95 Ca 0.33333333333333 0.66666666666667 0.97082387440362 40.078 > 8 96 Ca 0.83333333333333 0.66666666666667 0.97082387440362 40.078 > 8 *97 Sn 0.00000000000000 0.00000000000000 0.15386706020839 118.710 > 9 98 Sn 0.50000000000000 0.00000000000000 0.15386706020839 118.710 > 9 99 Sn 0.00000000000000 0.50000000000000 0.15386706020839 118.710 > 9 100 Sn 0.50000000000000 0.50000000000000 0.15386706020839 118.710 > 9 101 Sn 0.33333333333333 0.16666666666667 0.17946627312494 118.710 > 10 102 Sn 0.83333333333333 0.16666666666667 0.17946627312494 118.710 > 10 103 Sn 0.33333333333333 0.66666666666667 0.17946627312494 118.710 > 10 104 Sn 0.83333333333333 0.66666666666667 0.17946627312494 118.710 > 10 105 Sn 0.33333333333333 0.16666666666667 0.48720039354173 118.710 > 9 106 Sn 0.83333333333333 0.16666666666667 0.48720039354173 118.710 > 9 107 Sn 0.33333333333333 0.66666666666667 0.48720039354173 118.710 > 9 108 Sn 0.83333333333333 0.66666666666667 0.48720039354173 118.710 > 9 109 Sn 0.16666666666667 0.33333333333333 0.51279960645827 118.710 > 10 110 Sn 0.66666666666667 0.33333333333333 0.51279960645827 118.710 > 10 111 Sn 0.16666666666667 0.83333333333333 0.51279960645827 118.710 > 10 112 Sn 0.66666666666667 0.83333333333333 0.51279960645827 118.710 > 10 113 Sn 0.16666666666667 0.33333333333333 0.82053372687506 118.710 > 9 114 Sn 0.66666666666667 0.33333333333333 0.82053372687506 118.710 > 9 115 Sn 0.16666666666667 0.83333333333333 0.82053372687506 118.710 > 9 116 Sn 0.66666666666667 0.83333333333333 0.82053372687506 118.710 > 9 117 Sn 0.00000000000000 0.00000000000000 0.84613293979161 118.710 > 10 118 Sn 0.50000000000000 0.00000000000000 0.84613293979161 118.710 > 10 119 Sn 0.00000000000000 0.50000000000000 0.84613293979161 118.710 > 10 120 Sn 0.50000000000000 0.50000000000000 0.84613293979161 118.710 > 10 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0180730 0.0000054 0.0000000 -0.0000054 4.0180730 0.0000000 0.0000000 0.0000000 3.6486582 -------------------------- Born effective charges -------------------------- 1 O -1.9126908 -0.0524729 0.2935122 -0.0731412 -2.4321537 -0.1414585 0.4129829 -0.1817516 -1.9340221 2 O -2.2478955 0.2666717 -0.2692628 0.2460034 -2.0969490 -0.1834597 -0.3638929 -0.2667779 -1.9340221 3 O -2.3566805 -0.1831964 -0.0242494 -0.2038647 -1.9881641 0.3249183 -0.0490900 0.4485295 -1.9340221 4 O -1.9126908 -0.0524729 0.2935122 -0.0731412 -2.4321537 -0.1414585 0.4129829 -0.1817516 -1.9340221 5 O -2.3566805 -0.1831964 -0.0242494 -0.2038647 -1.9881641 0.3249183 -0.0490900 0.4485295 -1.9340221 6 O -2.2478955 0.2666717 -0.2692628 0.2460034 -2.0969490 -0.1834597 -0.3638929 -0.2667779 -1.9340221 7 Ca 2.4372993 -0.0538857 -0.0000000 0.0538857 2.4372993 -0.0000000 0.0000000 -0.0000000 2.6590555 8 Ca 2.4372993 -0.0538857 -0.0000000 0.0538857 2.4372993 -0.0000000 0.0000000 -0.0000000 2.6590555 9 Sn 4.0799676 0.0228833 -0.0000000 -0.0228833 4.0799676 -0.0000000 0.0000000 -0.0000000 3.1430108 10 Sn 4.0799676 0.0228833 -0.0000000 -0.0228833 4.0799676 -0.0000000 0.0000000 -0.0000000 3.1430108 ---------------------------------------------------------------------------- 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: 488 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): 0.022 Solver_block: 100 / 240 - Time: 1.024 Solver_block: 200 / 240 - Time: 1.048 Solver_block: 240 / 240 - Time: 0.476 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.585 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) 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: 488 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 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 20:04:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:04:48]------------------------- 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 2.753583066562966 1.589781924716120 5.075089936666661 b -2.753583066562960 1.589781924716120 5.075089936666661 c 0.000000000000002 -3.179563849432246 5.075089936666661 Atomic positions (fractional): 1 O 0.03519162053360 0.79036489507326 0.44387279848932 15.999 2 O 0.79036489507326 0.44387279848932 0.03519162053360 15.999 3 O 0.44387279848932 0.03519162053360 0.79036489507326 15.999 4 O 0.96480837946640 0.20963510492674 0.55612720151068 15.999 5 O 0.55612720151068 0.96480837946640 0.20963510492674 15.999 6 O 0.20963510492674 0.55612720151068 0.96480837946640 15.999 7 Ca 0.36250945892971 0.36250945892971 0.36250945892971 40.078 8 Ca 0.63749054107029 0.63749054107029 0.63749054107029 40.078 9 Sn 0.15386706020839 0.15386706020839 0.15386706020839 118.710 10 Sn 0.84613293979161 0.84613293979161 0.84613293979161 118.710 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.014332266251854 0.000000000000000 0.000000000000000 b -5.507166133125926 9.538691548296732 0.000000000000000 c 0.000000000000000 0.000000000000000 15.225269809999999 Atomic positions (fractional): 1 O 0.47269092458410 0.32296848643804 0.08980977136539 15.999 > 1 2 O 0.97269092458410 0.32296848643804 0.08980977136539 15.999 > 1 3 O 0.47269092458410 0.82296848643804 0.08980977136539 15.999 > 1 4 O 0.97269092458410 0.82296848643804 0.08980977136539 15.999 > 1 5 O 0.35027756185393 0.02730907541590 0.08980977136539 15.999 > 5 6 O 0.85027756185393 0.02730907541590 0.08980977136539 15.999 > 5 7 O 0.35027756185393 0.52730907541590 0.08980977136539 15.999 > 5 8 O 0.85027756185393 0.52730907541590 0.08980977136539 15.999 > 5 9 O 0.17703151356196 0.14972243814607 0.08980977136539 15.999 > 9 10 O 0.67703151356196 0.14972243814607 0.08980977136539 15.999 > 9 11 O 0.17703151356196 0.64972243814607 0.08980977136539 15.999 > 9 12 O 0.67703151356196 0.64972243814607 0.08980977136539 15.999 > 9 13 O 0.36064240874923 0.34369818022863 0.24352356196794 15.999 > 13 14 O 0.86064240874923 0.34369818022863 0.24352356196794 15.999 > 13 15 O 0.36064240874923 0.84369818022863 0.24352356196794 15.999 > 13 16 O 0.86064240874923 0.84369818022863 0.24352356196794 15.999 > 13 17 O 0.15630181977137 0.01694422852060 0.24352356196794 15.999 > 17 18 O 0.65630181977137 0.01694422852060 0.24352356196794 15.999 > 17 19 O 0.15630181977137 0.51694422852060 0.24352356196794 15.999 > 17 20 O 0.65630181977137 0.51694422852060 0.24352356196794 15.999 > 17 21 O 0.48305577147940 0.13935759125077 0.24352356196794 15.999 > 21 22 O 0.98305577147940 0.13935759125077 0.24352356196794 15.999 > 21 23 O 0.48305577147940 0.63935759125077 0.24352356196794 15.999 > 21 24 O 0.98305577147940 0.63935759125077 0.24352356196794 15.999 > 21 25 O 0.30602425791744 0.48963515310470 0.42314310469873 15.999 > 1 26 O 0.80602425791744 0.48963515310470 0.42314310469873 15.999 > 1 27 O 0.30602425791744 0.98963515310470 0.42314310469873 15.999 > 1 28 O 0.80602425791744 0.98963515310470 0.42314310469873 15.999 > 1 29 O 0.18361089518727 0.19397574208256 0.42314310469873 15.999 > 5 30 O 0.68361089518727 0.19397574208256 0.42314310469873 15.999 > 5 31 O 0.18361089518727 0.69397574208256 0.42314310469873 15.999 > 5 32 O 0.68361089518727 0.69397574208256 0.42314310469873 15.999 > 5 33 O 0.01036484689530 0.31638910481273 0.42314310469873 15.999 > 9 34 O 0.51036484689530 0.31638910481273 0.42314310469873 15.999 > 9 35 O 0.01036484689530 0.81638910481273 0.42314310469873 15.999 > 9 36 O 0.51036484689530 0.81638910481273 0.42314310469873 15.999 > 9 37 O 0.19397574208256 0.01036484689530 0.57685689530127 15.999 > 13 38 O 0.69397574208256 0.01036484689530 0.57685689530127 15.999 > 13 39 O 0.19397574208256 0.51036484689530 0.57685689530127 15.999 > 13 40 O 0.69397574208256 0.51036484689530 0.57685689530127 15.999 > 13 41 O 0.48963515310470 0.18361089518727 0.57685689530127 15.999 > 17 42 O 0.98963515310470 0.18361089518727 0.57685689530127 15.999 > 17 43 O 0.48963515310470 0.68361089518727 0.57685689530127 15.999 > 17 44 O 0.98963515310470 0.68361089518727 0.57685689530127 15.999 > 17 45 O 0.31638910481273 0.30602425791744 0.57685689530127 15.999 > 21 46 O 0.81638910481273 0.30602425791744 0.57685689530127 15.999 > 21 47 O 0.31638910481273 0.80602425791744 0.57685689530127 15.999 > 21 48 O 0.81638910481273 0.80602425791744 0.57685689530127 15.999 > 21 49 O 0.13935759125077 0.15630181977137 0.75647643803206 15.999 > 1 50 O 0.63935759125077 0.15630181977137 0.75647643803206 15.999 > 1 51 O 0.13935759125077 0.65630181977137 0.75647643803206 15.999 > 1 52 O 0.63935759125077 0.65630181977137 0.75647643803206 15.999 > 1 53 O 0.01694422852060 0.36064240874923 0.75647643803206 15.999 > 5 54 O 0.51694422852060 0.36064240874923 0.75647643803206 15.999 > 5 55 O 0.01694422852060 0.86064240874923 0.75647643803206 15.999 > 5 56 O 0.51694422852060 0.86064240874923 0.75647643803206 15.999 > 5 57 O 0.34369818022863 0.48305577147940 0.75647643803206 15.999 > 9 58 O 0.84369818022863 0.48305577147940 0.75647643803206 15.999 > 9 59 O 0.34369818022863 0.98305577147940 0.75647643803206 15.999 > 9 60 O 0.84369818022863 0.98305577147940 0.75647643803206 15.999 > 9 61 O 0.02730907541590 0.17703151356196 0.91019022863461 15.999 > 13 62 O 0.52730907541590 0.17703151356196 0.91019022863461 15.999 > 13 63 O 0.02730907541590 0.67703151356196 0.91019022863461 15.999 > 13 64 O 0.52730907541590 0.67703151356196 0.91019022863461 15.999 > 13 65 O 0.32296848643804 0.35027756185393 0.91019022863461 15.999 > 17 66 O 0.82296848643804 0.35027756185393 0.91019022863461 15.999 > 17 67 O 0.32296848643804 0.85027756185393 0.91019022863461 15.999 > 17 68 O 0.82296848643804 0.85027756185393 0.91019022863461 15.999 > 17 69 O 0.14972243814607 0.47269092458410 0.91019022863461 15.999 > 21 70 O 0.64972243814607 0.47269092458410 0.91019022863461 15.999 > 21 71 O 0.14972243814607 0.97269092458410 0.91019022863461 15.999 > 21 72 O 0.64972243814607 0.97269092458410 0.91019022863461 15.999 > 21 73 Ca 0.16666666666667 0.33333333333333 0.02917612559638 40.078 > 73 74 Ca 0.66666666666667 0.33333333333333 0.02917612559638 40.078 > 73 75 Ca 0.16666666666667 0.83333333333333 0.02917612559638 40.078 > 73 76 Ca 0.66666666666667 0.83333333333333 0.02917612559638 40.078 > 73 77 Ca 0.16666666666667 0.33333333333333 0.30415720773695 40.078 > 77 78 Ca 0.66666666666667 0.33333333333333 0.30415720773695 40.078 > 77 79 Ca 0.16666666666667 0.83333333333333 0.30415720773695 40.078 > 77 80 Ca 0.66666666666667 0.83333333333333 0.30415720773695 40.078 > 77 81 Ca 0.00000000000000 0.00000000000000 0.36250945892971 40.078 > 73 82 Ca 0.50000000000000 0.00000000000000 0.36250945892971 40.078 > 73 83 Ca 0.00000000000000 0.50000000000000 0.36250945892971 40.078 > 73 84 Ca 0.50000000000000 0.50000000000000 0.36250945892971 40.078 > 73 85 Ca 0.00000000000000 0.00000000000000 0.63749054107029 40.078 > 77 86 Ca 0.50000000000000 0.00000000000000 0.63749054107029 40.078 > 77 87 Ca 0.00000000000000 0.50000000000000 0.63749054107029 40.078 > 77 88 Ca 0.50000000000000 0.50000000000000 0.63749054107029 40.078 > 77 89 Ca 0.33333333333333 0.16666666666667 0.69584279226305 40.078 > 73 90 Ca 0.83333333333333 0.16666666666667 0.69584279226305 40.078 > 73 91 Ca 0.33333333333333 0.66666666666667 0.69584279226305 40.078 > 73 92 Ca 0.83333333333333 0.66666666666667 0.69584279226305 40.078 > 73 93 Ca 0.33333333333333 0.16666666666667 0.97082387440362 40.078 > 77 94 Ca 0.83333333333333 0.16666666666667 0.97082387440362 40.078 > 77 95 Ca 0.33333333333333 0.66666666666667 0.97082387440362 40.078 > 77 96 Ca 0.83333333333333 0.66666666666667 0.97082387440362 40.078 > 77 97 Sn 0.00000000000000 0.00000000000000 0.15386706020839 118.710 > 97 98 Sn 0.50000000000000 0.00000000000000 0.15386706020839 118.710 > 97 99 Sn 0.00000000000000 0.50000000000000 0.15386706020839 118.710 > 97 100 Sn 0.50000000000000 0.50000000000000 0.15386706020839 118.710 > 97 101 Sn 0.33333333333333 0.16666666666667 0.17946627312494 118.710 > 101 102 Sn 0.83333333333333 0.16666666666667 0.17946627312494 118.710 > 101 103 Sn 0.33333333333333 0.66666666666667 0.17946627312494 118.710 > 101 104 Sn 0.83333333333333 0.66666666666667 0.17946627312494 118.710 > 101 105 Sn 0.33333333333333 0.16666666666667 0.48720039354173 118.710 > 97 106 Sn 0.83333333333333 0.16666666666667 0.48720039354173 118.710 > 97 107 Sn 0.33333333333333 0.66666666666667 0.48720039354173 118.710 > 97 108 Sn 0.83333333333333 0.66666666666667 0.48720039354173 118.710 > 97 109 Sn 0.16666666666667 0.33333333333333 0.51279960645827 118.710 > 101 110 Sn 0.66666666666667 0.33333333333333 0.51279960645827 118.710 > 101 111 Sn 0.16666666666667 0.83333333333333 0.51279960645827 118.710 > 101 112 Sn 0.66666666666667 0.83333333333333 0.51279960645827 118.710 > 101 113 Sn 0.16666666666667 0.33333333333333 0.82053372687506 118.710 > 97 114 Sn 0.66666666666667 0.33333333333333 0.82053372687506 118.710 > 97 115 Sn 0.16666666666667 0.83333333333333 0.82053372687506 118.710 > 97 116 Sn 0.66666666666667 0.83333333333333 0.82053372687506 118.710 > 97 117 Sn 0.00000000000000 0.00000000000000 0.84613293979161 118.710 > 101 118 Sn 0.50000000000000 0.00000000000000 0.84613293979161 118.710 > 101 119 Sn 0.00000000000000 0.50000000000000 0.84613293979161 118.710 > 101 120 Sn 0.50000000000000 0.50000000000000 0.84613293979161 118.710 > 101 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0180730 0.0000054 0.0000000 -0.0000054 4.0180730 0.0000000 0.0000000 0.0000000 3.6486582 -------------------------- Born effective charges -------------------------- 1 O -1.9126908 -0.0524729 0.2935122 -0.0731412 -2.4321537 -0.1414585 0.4129829 -0.1817516 -1.9340221 2 O -2.2478955 0.2666717 -0.2692628 0.2460034 -2.0969490 -0.1834597 -0.3638929 -0.2667779 -1.9340221 3 O -2.3566805 -0.1831964 -0.0242494 -0.2038647 -1.9881641 0.3249183 -0.0490900 0.4485295 -1.9340221 4 O -1.9126908 -0.0524729 0.2935122 -0.0731412 -2.4321537 -0.1414585 0.4129829 -0.1817516 -1.9340221 5 O -2.3566805 -0.1831964 -0.0242494 -0.2038647 -1.9881641 0.3249183 -0.0490900 0.4485295 -1.9340221 6 O -2.2478955 0.2666717 -0.2692628 0.2460034 -2.0969490 -0.1834597 -0.3638929 -0.2667779 -1.9340221 7 Ca 2.4372993 -0.0538857 -0.0000000 0.0538857 2.4372993 -0.0000000 0.0000000 -0.0000000 2.6590555 8 Ca 2.4372993 -0.0538857 -0.0000000 0.0538857 2.4372993 -0.0000000 0.0000000 -0.0000000 2.6590555 9 Sn 4.0799676 0.0228833 -0.0000000 -0.0228833 4.0799676 -0.0000000 0.0000000 -0.0000000 3.1430108 10 Sn 4.0799676 0.0228833 -0.0000000 -0.0228833 4.0799676 -0.0000000 0.0000000 -0.0000000 3.1430108 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, 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] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (xxz) -0.00000001 (xxz) -0.00000001 (xzx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000003 (xy) 0.00000003 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:04:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:04:59]------------------------- 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 2.753583066562966 1.589781924716120 5.075089936666661 b -2.753583066562960 1.589781924716120 5.075089936666661 c 0.000000000000002 -3.179563849432246 5.075089936666661 Atomic positions (fractional): 1 O 0.03519162053360 0.79036489507326 0.44387279848932 15.999 2 O 0.79036489507326 0.44387279848932 0.03519162053360 15.999 3 O 0.44387279848932 0.03519162053360 0.79036489507326 15.999 4 O 0.96480837946640 0.20963510492674 0.55612720151068 15.999 5 O 0.55612720151068 0.96480837946640 0.20963510492674 15.999 6 O 0.20963510492674 0.55612720151068 0.96480837946640 15.999 7 Ca 0.36250945892971 0.36250945892971 0.36250945892971 40.078 8 Ca 0.63749054107029 0.63749054107029 0.63749054107029 40.078 9 Sn 0.15386706020839 0.15386706020839 0.15386706020839 118.710 10 Sn 0.84613293979161 0.84613293979161 0.84613293979161 118.710 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.014332266251854 0.000000000000000 0.000000000000000 b -5.507166133125926 9.538691548296732 0.000000000000000 c 0.000000000000000 0.000000000000000 15.225269809999999 Atomic positions (fractional): 1 O 0.47269092458410 0.32296848643804 0.08980977136539 15.999 > 1 2 O 0.97269092458410 0.32296848643804 0.08980977136539 15.999 > 1 3 O 0.47269092458410 0.82296848643804 0.08980977136539 15.999 > 1 4 O 0.97269092458410 0.82296848643804 0.08980977136539 15.999 > 1 5 O 0.35027756185393 0.02730907541590 0.08980977136539 15.999 > 5 6 O 0.85027756185393 0.02730907541590 0.08980977136539 15.999 > 5 7 O 0.35027756185393 0.52730907541590 0.08980977136539 15.999 > 5 8 O 0.85027756185393 0.52730907541590 0.08980977136539 15.999 > 5 9 O 0.17703151356196 0.14972243814607 0.08980977136539 15.999 > 9 10 O 0.67703151356196 0.14972243814607 0.08980977136539 15.999 > 9 11 O 0.17703151356196 0.64972243814607 0.08980977136539 15.999 > 9 12 O 0.67703151356196 0.64972243814607 0.08980977136539 15.999 > 9 13 O 0.36064240874923 0.34369818022863 0.24352356196794 15.999 > 13 14 O 0.86064240874923 0.34369818022863 0.24352356196794 15.999 > 13 15 O 0.36064240874923 0.84369818022863 0.24352356196794 15.999 > 13 16 O 0.86064240874923 0.84369818022863 0.24352356196794 15.999 > 13 17 O 0.15630181977137 0.01694422852060 0.24352356196794 15.999 > 17 18 O 0.65630181977137 0.01694422852060 0.24352356196794 15.999 > 17 19 O 0.15630181977137 0.51694422852060 0.24352356196794 15.999 > 17 20 O 0.65630181977137 0.51694422852060 0.24352356196794 15.999 > 17 21 O 0.48305577147940 0.13935759125077 0.24352356196794 15.999 > 21 22 O 0.98305577147940 0.13935759125077 0.24352356196794 15.999 > 21 23 O 0.48305577147940 0.63935759125077 0.24352356196794 15.999 > 21 24 O 0.98305577147940 0.63935759125077 0.24352356196794 15.999 > 21 25 O 0.30602425791744 0.48963515310470 0.42314310469873 15.999 > 1 26 O 0.80602425791744 0.48963515310470 0.42314310469873 15.999 > 1 27 O 0.30602425791744 0.98963515310470 0.42314310469873 15.999 > 1 28 O 0.80602425791744 0.98963515310470 0.42314310469873 15.999 > 1 29 O 0.18361089518727 0.19397574208256 0.42314310469873 15.999 > 5 30 O 0.68361089518727 0.19397574208256 0.42314310469873 15.999 > 5 31 O 0.18361089518727 0.69397574208256 0.42314310469873 15.999 > 5 32 O 0.68361089518727 0.69397574208256 0.42314310469873 15.999 > 5 33 O 0.01036484689530 0.31638910481273 0.42314310469873 15.999 > 9 34 O 0.51036484689530 0.31638910481273 0.42314310469873 15.999 > 9 35 O 0.01036484689530 0.81638910481273 0.42314310469873 15.999 > 9 36 O 0.51036484689530 0.81638910481273 0.42314310469873 15.999 > 9 37 O 0.19397574208256 0.01036484689530 0.57685689530127 15.999 > 13 38 O 0.69397574208256 0.01036484689530 0.57685689530127 15.999 > 13 39 O 0.19397574208256 0.51036484689530 0.57685689530127 15.999 > 13 40 O 0.69397574208256 0.51036484689530 0.57685689530127 15.999 > 13 41 O 0.48963515310470 0.18361089518727 0.57685689530127 15.999 > 17 42 O 0.98963515310470 0.18361089518727 0.57685689530127 15.999 > 17 43 O 0.48963515310470 0.68361089518727 0.57685689530127 15.999 > 17 44 O 0.98963515310470 0.68361089518727 0.57685689530127 15.999 > 17 45 O 0.31638910481273 0.30602425791744 0.57685689530127 15.999 > 21 46 O 0.81638910481273 0.30602425791744 0.57685689530127 15.999 > 21 47 O 0.31638910481273 0.80602425791744 0.57685689530127 15.999 > 21 48 O 0.81638910481273 0.80602425791744 0.57685689530127 15.999 > 21 49 O 0.13935759125077 0.15630181977137 0.75647643803206 15.999 > 1 50 O 0.63935759125077 0.15630181977137 0.75647643803206 15.999 > 1 51 O 0.13935759125077 0.65630181977137 0.75647643803206 15.999 > 1 52 O 0.63935759125077 0.65630181977137 0.75647643803206 15.999 > 1 53 O 0.01694422852060 0.36064240874923 0.75647643803206 15.999 > 5 54 O 0.51694422852060 0.36064240874923 0.75647643803206 15.999 > 5 55 O 0.01694422852060 0.86064240874923 0.75647643803206 15.999 > 5 56 O 0.51694422852060 0.86064240874923 0.75647643803206 15.999 > 5 57 O 0.34369818022863 0.48305577147940 0.75647643803206 15.999 > 9 58 O 0.84369818022863 0.48305577147940 0.75647643803206 15.999 > 9 59 O 0.34369818022863 0.98305577147940 0.75647643803206 15.999 > 9 60 O 0.84369818022863 0.98305577147940 0.75647643803206 15.999 > 9 61 O 0.02730907541590 0.17703151356196 0.91019022863461 15.999 > 13 62 O 0.52730907541590 0.17703151356196 0.91019022863461 15.999 > 13 63 O 0.02730907541590 0.67703151356196 0.91019022863461 15.999 > 13 64 O 0.52730907541590 0.67703151356196 0.91019022863461 15.999 > 13 65 O 0.32296848643804 0.35027756185393 0.91019022863461 15.999 > 17 66 O 0.82296848643804 0.35027756185393 0.91019022863461 15.999 > 17 67 O 0.32296848643804 0.85027756185393 0.91019022863461 15.999 > 17 68 O 0.82296848643804 0.85027756185393 0.91019022863461 15.999 > 17 69 O 0.14972243814607 0.47269092458410 0.91019022863461 15.999 > 21 70 O 0.64972243814607 0.47269092458410 0.91019022863461 15.999 > 21 71 O 0.14972243814607 0.97269092458410 0.91019022863461 15.999 > 21 72 O 0.64972243814607 0.97269092458410 0.91019022863461 15.999 > 21 73 Ca 0.16666666666667 0.33333333333333 0.02917612559638 40.078 > 73 74 Ca 0.66666666666667 0.33333333333333 0.02917612559638 40.078 > 73 75 Ca 0.16666666666667 0.83333333333333 0.02917612559638 40.078 > 73 76 Ca 0.66666666666667 0.83333333333333 0.02917612559638 40.078 > 73 77 Ca 0.16666666666667 0.33333333333333 0.30415720773695 40.078 > 77 78 Ca 0.66666666666667 0.33333333333333 0.30415720773695 40.078 > 77 79 Ca 0.16666666666667 0.83333333333333 0.30415720773695 40.078 > 77 80 Ca 0.66666666666667 0.83333333333333 0.30415720773695 40.078 > 77 81 Ca 0.00000000000000 0.00000000000000 0.36250945892971 40.078 > 73 82 Ca 0.50000000000000 0.00000000000000 0.36250945892971 40.078 > 73 83 Ca 0.00000000000000 0.50000000000000 0.36250945892971 40.078 > 73 84 Ca 0.50000000000000 0.50000000000000 0.36250945892971 40.078 > 73 85 Ca 0.00000000000000 0.00000000000000 0.63749054107029 40.078 > 77 86 Ca 0.50000000000000 0.00000000000000 0.63749054107029 40.078 > 77 87 Ca 0.00000000000000 0.50000000000000 0.63749054107029 40.078 > 77 88 Ca 0.50000000000000 0.50000000000000 0.63749054107029 40.078 > 77 89 Ca 0.33333333333333 0.16666666666667 0.69584279226305 40.078 > 73 90 Ca 0.83333333333333 0.16666666666667 0.69584279226305 40.078 > 73 91 Ca 0.33333333333333 0.66666666666667 0.69584279226305 40.078 > 73 92 Ca 0.83333333333333 0.66666666666667 0.69584279226305 40.078 > 73 93 Ca 0.33333333333333 0.16666666666667 0.97082387440362 40.078 > 77 94 Ca 0.83333333333333 0.16666666666667 0.97082387440362 40.078 > 77 95 Ca 0.33333333333333 0.66666666666667 0.97082387440362 40.078 > 77 96 Ca 0.83333333333333 0.66666666666667 0.97082387440362 40.078 > 77 97 Sn 0.00000000000000 0.00000000000000 0.15386706020839 118.710 > 97 98 Sn 0.50000000000000 0.00000000000000 0.15386706020839 118.710 > 97 99 Sn 0.00000000000000 0.50000000000000 0.15386706020839 118.710 > 97 100 Sn 0.50000000000000 0.50000000000000 0.15386706020839 118.710 > 97 101 Sn 0.33333333333333 0.16666666666667 0.17946627312494 118.710 > 101 102 Sn 0.83333333333333 0.16666666666667 0.17946627312494 118.710 > 101 103 Sn 0.33333333333333 0.66666666666667 0.17946627312494 118.710 > 101 104 Sn 0.83333333333333 0.66666666666667 0.17946627312494 118.710 > 101 105 Sn 0.33333333333333 0.16666666666667 0.48720039354173 118.710 > 97 106 Sn 0.83333333333333 0.16666666666667 0.48720039354173 118.710 > 97 107 Sn 0.33333333333333 0.66666666666667 0.48720039354173 118.710 > 97 108 Sn 0.83333333333333 0.66666666666667 0.48720039354173 118.710 > 97 109 Sn 0.16666666666667 0.33333333333333 0.51279960645827 118.710 > 101 110 Sn 0.66666666666667 0.33333333333333 0.51279960645827 118.710 > 101 111 Sn 0.16666666666667 0.83333333333333 0.51279960645827 118.710 > 101 112 Sn 0.66666666666667 0.83333333333333 0.51279960645827 118.710 > 101 113 Sn 0.16666666666667 0.33333333333333 0.82053372687506 118.710 > 97 114 Sn 0.66666666666667 0.33333333333333 0.82053372687506 118.710 > 97 115 Sn 0.16666666666667 0.83333333333333 0.82053372687506 118.710 > 97 116 Sn 0.66666666666667 0.83333333333333 0.82053372687506 118.710 > 97 117 Sn 0.00000000000000 0.00000000000000 0.84613293979161 118.710 > 101 118 Sn 0.50000000000000 0.00000000000000 0.84613293979161 118.710 > 101 119 Sn 0.00000000000000 0.50000000000000 0.84613293979161 118.710 > 101 120 Sn 0.50000000000000 0.50000000000000 0.84613293979161 118.710 > 101 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.0180730 0.0000054 0.0000000 -0.0000054 4.0180730 0.0000000 0.0000000 0.0000000 3.6486582 -------------------------- Born effective charges -------------------------- 1 O -1.9126908 -0.0524729 0.2935122 -0.0731412 -2.4321537 -0.1414585 0.4129829 -0.1817516 -1.9340221 2 O -2.2478955 0.2666717 -0.2692628 0.2460034 -2.0969490 -0.1834597 -0.3638929 -0.2667779 -1.9340221 3 O -2.3566805 -0.1831964 -0.0242494 -0.2038647 -1.9881641 0.3249183 -0.0490900 0.4485295 -1.9340221 4 O -1.9126908 -0.0524729 0.2935122 -0.0731412 -2.4321537 -0.1414585 0.4129829 -0.1817516 -1.9340221 5 O -2.3566805 -0.1831964 -0.0242494 -0.2038647 -1.9881641 0.3249183 -0.0490900 0.4485295 -1.9340221 6 O -2.2478955 0.2666717 -0.2692628 0.2460034 -2.0969490 -0.1834597 -0.3638929 -0.2667779 -1.9340221 7 Ca 2.4372993 -0.0538857 -0.0000000 0.0538857 2.4372993 -0.0000000 0.0000000 -0.0000000 2.6590555 8 Ca 2.4372993 -0.0538857 -0.0000000 0.0538857 2.4372993 -0.0000000 0.0000000 -0.0000000 2.6590555 9 Sn 4.0799676 0.0228833 -0.0000000 -0.0228833 4.0799676 -0.0000000 0.0000000 -0.0000000 3.1430108 10 Sn 4.0799676 0.0228833 -0.0000000 -0.0228833 4.0799676 -0.0000000 0.0000000 -0.0000000 3.1430108 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (xxz) -0.00000001 (xxz) -0.00000001 (xzx) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 11 11 11 ] 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: 0.81, Number of G-points: 297, Lambda: 0.17 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/226) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 226 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 4.553 ( 0.000 0.000 0.000) 0.000 6.119 ( 0.000 0.000 0.000) 0.000 6.119 ( 0.000 0.000 0.000) 0.000 6.504 ( 0.000 0.000 0.000) 0.000 6.718 ( 0.000 0.000 0.000) 0.000 6.806 ( 0.000 0.000 0.000) 0.000 6.806 ( 0.000 0.000 0.000) 0.000 7.015 ( 0.000 0.000 0.000) 0.000 7.015 ( 0.000 0.000 0.000) 0.000 8.490 ( 0.000 0.000 0.000) 0.000 8.490 ( 0.000 0.000 0.000) 0.000 8.812 ( 0.000 0.000 0.000) 0.000 8.812 ( 0.000 0.000 0.000) 0.000 9.360 ( 0.000 0.000 0.000) 0.000 9.761 ( 0.000 0.000 0.000) 0.000 12.166 ( 0.000 0.000 0.000) 0.000 12.166 ( 0.000 0.000 0.000) 0.000 12.833 ( 0.000 0.000 0.000) 0.000 12.833 ( 0.000 0.000 0.000) 0.000 13.362 ( 0.000 0.000 0.000) 0.000 14.734 ( 0.000 0.000 0.000) 0.000 14.734 ( 0.000 0.000 0.000) 0.000 15.438 ( 0.000 0.000 0.000) 0.000 17.195 ( 0.000 0.000 0.000) 0.000 17.195 ( 0.000 0.000 0.000) 0.000 17.201 ( 0.000 0.000 0.000) 0.000 17.995 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/226) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.584 ( 23.142 11.998 14.520) 29.838 0.684 ( 35.855 6.879 3.510) 36.678 1.352 ( 52.935 38.102 15.543) 67.048 4.473 ( -7.043 -4.013 -1.277) 8.206 5.835 ( -15.827 -14.222 -15.902) 26.564 5.972 ( -16.984 0.011 2.796) 17.213 6.483 ( -12.715 -4.105 -5.087) 14.296 6.686 ( 0.587 -8.476 14.338) 16.666 6.763 ( -1.547 -1.746 -8.146) 8.474 6.980 ( 2.463 4.706 20.761) 21.429 7.005 ( -0.432 4.696 -2.915) 5.544 7.231 ( 11.323 -0.147 16.576) 20.075 8.406 ( -5.578 -4.722 -0.926) 7.367 8.497 ( 1.212 0.526 -1.697) 2.151 8.881 ( 3.512 4.725 -0.349) 5.898 9.363 ( 0.885 0.812 -0.087) 1.204 9.745 ( -0.848 -0.618 -2.199) 2.436 10.155 ( 7.344 5.355 -13.506) 16.279 12.171 ( -0.400 1.439 0.688) 1.645 12.254 ( 8.531 1.897 0.672) 8.765 12.855 ( 2.417 2.059 -2.309) 3.926 13.307 ( 4.125 4.134 -15.320) 16.395 14.229 ( -7.540 -6.259 18.391) 20.839 14.714 ( -1.641 -0.776 0.134) 1.820 15.440 ( -0.105 -0.083 0.607) 0.621 16.992 ( -3.703 -6.385 -13.862) 15.705 17.218 ( 1.975 1.353 -0.145) 2.399 17.342 ( 7.062 4.444 -1.306) 8.445 17.972 ( -2.383 -1.214 1.531) 3.081 18.721 ( -1.608 1.834 -2.006) 3.158 ======================= Grid point 2 (3/226) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( 22.865 11.456 13.538) 28.937 1.349 ( 34.330 6.550 3.030) 35.080 2.631 ( 48.281 35.208 12.762) 61.102 4.230 ( -13.741 -7.480 -2.645) 15.867 5.343 ( -15.620 -13.272 -14.058) 24.855 5.647 ( -22.417 -3.311 5.298) 23.271 6.117 ( -19.819 -4.780 -6.522) 21.405 6.593 ( -7.510 -2.760 -7.144) 10.726 6.705 ( 2.369 -9.858 2.408) 10.421 7.015 ( 6.115 -3.920 -3.914) 8.251 7.202 ( -1.597 7.463 22.061) 23.344 7.513 ( 9.981 2.941 13.330) 16.910 8.248 ( -4.587 -8.029 -1.443) 9.359 8.522 ( 2.243 1.885 -3.440) 4.519 8.941 ( -1.231 4.652 -3.500) 5.951 9.430 ( 2.618 4.783 2.191) 5.877 9.697 ( -0.184 -2.418 -4.859) 5.431 10.281 ( 7.490 5.923 -4.560) 10.582 12.187 ( -0.737 2.848 0.732) 3.032 12.445 ( 10.968 0.529 0.807) 11.011 12.923 ( 4.794 3.941 -4.626) 7.740 13.355 ( 3.965 5.691 -3.897) 7.956 14.123 ( -8.003 -7.896 12.684) 16.950 14.680 ( -1.526 -0.446 -0.070) 1.592 15.429 ( -1.614 -1.079 1.303) 2.337 16.770 ( -4.814 -8.713 -12.509) 15.986 17.280 ( 3.742 2.112 -0.655) 4.346 17.487 ( 6.874 3.146 -0.811) 7.603 17.922 ( -3.828 -1.277 3.705) 5.478 18.680 ( -4.228 1.983 -2.195) 5.160 ======================= Grid point 3 (4/226) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( 21.094 9.129 11.229) 25.581 1.965 ( 30.431 6.228 2.368) 31.152 3.632 ( 19.801 12.742 2.775) 23.710 3.967 ( 1.090 7.204 1.500) 7.439 4.913 ( -15.305 -8.688 -10.711) 20.602 5.271 ( -18.689 -6.575 5.424) 20.541 5.707 ( -19.451 -2.582 -4.931) 20.232 6.389 ( -6.605 -4.274 -8.254) 11.403 6.644 ( -0.953 -6.954 1.725) 7.228 7.053 ( 5.872 -8.570 -0.329) 10.394 7.341 ( -2.649 4.227 19.737) 20.357 7.760 ( 5.663 5.506 10.623) 13.237 8.099 ( -2.249 -8.806 -1.614) 9.231 8.562 ( 2.999 2.702 -5.196) 6.580 8.908 ( -3.223 3.536 -5.065) 6.968 9.482 ( -4.241 2.261 0.583) 4.841 9.676 ( 4.377 -0.367 -5.236) 6.834 10.443 ( 7.153 5.417 -1.384) 9.079 12.209 ( -0.853 3.956 0.165) 4.050 12.589 ( 6.646 -2.796 0.699) 7.244 13.027 ( 5.984 5.215 -6.042) 9.975 13.522 ( 8.858 8.414 0.725) 12.239 13.985 ( -7.428 -8.432 12.175) 16.568 14.662 ( -0.591 0.835 -0.332) 1.076 15.372 ( -4.349 -3.039 1.852) 5.619 16.528 ( -4.856 -9.173 -11.959) 15.835 17.368 ( 5.068 2.157 -1.511) 5.712 17.615 ( 6.197 2.046 -1.890) 6.794 17.877 ( -3.852 -0.195 6.483) 7.544 18.589 ( -6.523 1.005 -3.061) 7.275 ======================= Grid point 4 (5/226) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.117 ( 14.254 2.137 5.945) 15.591 2.491 ( 23.531 8.054 2.471) 24.994 3.517 ( -7.812 -7.500 -0.318) 10.834 4.325 ( 1.300 7.130 -0.277) 7.252 4.528 ( -15.801 -4.192 -6.574) 17.620 5.057 ( -10.874 0.328 -4.445) 11.752 5.551 ( 7.833 7.563 6.879) 12.879 6.216 ( -4.367 -4.560 -3.961) 7.454 6.579 ( -1.185 -3.742 0.461) 3.952 6.999 ( -1.824 -11.172 0.451) 11.329 7.459 ( -1.780 4.188 19.574) 20.096 7.869 ( 2.206 -3.510 -6.130) 7.400 8.043 ( 0.295 0.624 8.344) 8.373 8.602 ( 3.736 0.775 -6.597) 7.621 8.876 ( -2.138 5.606 -2.817) 6.628 9.355 ( -7.171 -4.381 -4.068) 9.337 9.735 ( 3.131 2.070 -2.337) 4.422 10.585 ( 4.948 3.751 -0.279) 6.215 12.235 ( -0.596 4.006 -0.304) 4.062 12.629 ( 2.127 -3.895 0.986) 4.546 13.137 ( 5.464 5.149 -6.192) 9.732 13.726 ( 1.588 2.491 4.563) 5.436 13.935 ( 4.579 -1.713 8.436) 9.750 14.674 ( 0.270 2.992 -0.700) 3.084 15.248 ( -6.809 -5.397 1.781) 8.869 16.311 ( -3.694 -7.068 -9.326) 12.271 17.466 ( 5.718 1.837 -2.241) 6.410 17.679 ( 1.016 -0.208 -1.527) 1.846 17.896 ( 0.659 2.017 7.262) 7.566 18.454 ( -7.451 -0.341 -3.706) 8.328 ======================= Grid point 5 (6/226) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.270 ( 3.527 -1.824 0.877) 4.067 2.936 ( 17.136 10.411 2.618) 20.221 3.313 ( -9.882 -8.964 -0.341) 13.346 4.217 ( -8.760 2.145 -0.479) 9.031 4.407 ( 5.745 -2.607 -0.943) 6.379 4.769 ( -14.190 -1.575 -4.256) 14.898 5.988 ( 16.198 14.103 -2.286) 21.598 6.122 ( -2.046 -4.404 5.624) 7.430 6.544 ( -0.260 -1.627 0.418) 1.700 6.805 ( -7.142 -8.614 -0.853) 11.222 7.580 ( -2.145 4.285 14.697) 15.458 7.789 ( 2.871 -5.918 -11.273) 13.051 8.123 ( -0.138 2.535 5.427) 5.991 8.615 ( 2.015 -0.983 -3.936) 4.529 8.931 ( 1.300 7.385 1.221) 7.597 9.155 ( -5.837 -6.575 -3.993) 9.657 9.775 ( 1.051 0.880 -0.746) 1.561 10.664 ( 1.690 1.334 -0.050) 2.154 12.257 ( -0.178 1.862 -0.212) 1.883 12.620 ( 0.281 -1.893 0.553) 1.992 13.215 ( 2.432 2.343 -3.091) 4.578 13.712 ( -2.238 -1.570 3.837) 4.711 14.112 ( 6.211 1.765 2.429) 6.899 14.716 ( 0.910 3.499 -0.799) 3.703 15.096 ( -4.820 -4.540 0.890) 6.682 16.180 ( -1.400 -2.647 -3.624) 4.701 17.560 ( 5.228 1.443 -2.248) 5.871 17.643 ( -3.528 -1.130 1.173) 3.885 17.992 ( 2.888 1.686 3.582) 4.900 18.317 ( -4.743 -0.855 -2.644) 5.496 ======================= Grid point 12 (7/226) ======================= q-point: ( 0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( -17.625 23.323 24.913) 38.409 0.797 ( -3.950 31.445 15.629) 35.336 1.410 ( 11.659 58.351 22.368) 63.570 4.466 ( 0.026 -7.876 -1.803) 8.080 5.712 ( -4.267 -20.054 -18.618) 27.695 5.957 ( 10.989 -12.607 -5.028) 17.464 6.530 ( -0.291 0.569 -9.955) 9.976 6.719 ( 0.616 -9.841 2.879) 10.272 6.815 ( -6.318 -16.203 10.724) 20.432 6.900 ( 0.568 -0.560 7.014) 7.059 7.127 ( 7.428 0.949 11.726) 13.913 7.329 ( -9.427 2.740 27.654) 29.345 8.372 ( -4.506 -8.847 -3.859) 10.652 8.547 ( 5.024 4.528 3.154) 7.463 8.892 ( 0.690 7.349 0.685) 7.413 9.346 ( 0.608 0.235 -2.619) 2.699 9.722 ( 1.587 0.037 -4.921) 5.170 10.051 ( 0.359 17.423 -18.309) 25.277 12.151 ( 3.030 -1.068 -0.588) 3.266 12.269 ( -5.077 9.206 1.401) 10.606 12.882 ( 0.698 4.676 0.644) 4.771 13.194 ( 2.246 12.959 -18.679) 22.845 14.328 ( -1.994 -17.078 19.626) 26.092 14.717 ( 0.207 -1.733 0.424) 1.797 15.447 ( -0.040 0.101 1.234) 1.239 16.964 ( -5.227 1.776 -16.765) 17.651 17.190 ( -2.495 -0.360 -0.616) 2.595 17.307 ( 2.728 8.827 -2.003) 9.454 17.981 ( 0.185 -2.715 2.080) 3.426 18.695 ( 3.738 -0.526 -3.361) 5.055 ======================= Grid point 13 (8/226) ======================= q-point: ( 0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( 9.938 23.834 9.828) 27.630 1.225 ( 8.667 24.934 17.998) 31.949 2.472 ( 32.034 47.849 20.572) 61.147 4.298 ( -7.362 -11.242 -2.821) 13.731 5.307 ( -8.463 -16.396 -18.225) 25.934 5.863 ( -6.072 -15.578 2.992) 16.985 6.351 ( -14.656 -1.649 -8.879) 17.216 6.555 ( -3.662 -14.672 5.953) 16.252 6.638 ( -3.849 -5.398 -3.062) 7.303 6.914 ( 2.355 -4.145 -1.812) 5.100 7.326 ( 5.432 -0.331 11.884) 13.071 7.454 ( 4.811 1.204 18.056) 18.725 8.184 ( -3.355 -9.146 -6.189) 11.542 8.608 ( -5.499 8.628 4.539) 11.193 9.009 ( 0.884 5.974 1.679) 6.268 9.402 ( 6.966 2.376 -0.318) 7.367 9.696 ( -3.239 1.489 -4.252) 5.549 10.189 ( 7.837 10.473 -9.084) 15.926 12.210 ( 2.610 -1.398 4.158) 5.105 12.333 ( 3.358 9.407 -3.856) 10.707 12.917 ( -0.632 6.393 -2.859) 7.032 13.320 ( 6.027 9.492 -5.345) 12.450 14.203 ( -5.316 -14.486 14.096) 20.900 14.698 ( -0.843 -1.024 0.379) 1.380 15.450 ( -0.815 -0.729 2.170) 2.430 16.734 ( -8.775 -1.653 -15.723) 18.082 17.190 ( 4.088 -2.547 -1.472) 5.036 17.436 ( 4.207 6.761 -1.851) 8.176 17.961 ( -0.943 -2.998 3.395) 4.627 18.721 ( 0.669 -0.461 -2.209) 2.353 ======================= Grid point 14 (9/226) ======================= q-point: ( 0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( 18.966 18.458 4.546) 26.852 1.738 ( 15.117 19.603 15.716) 29.323 3.464 ( 24.712 27.262 9.843) 38.089 4.035 ( -6.174 -6.022 -0.849) 8.666 4.958 ( -7.325 -6.998 -12.987) 16.471 5.531 ( -17.676 -15.912 5.852) 24.492 5.978 ( -19.634 -5.124 -4.239) 20.730 6.377 ( -4.658 -6.264 -8.904) 11.841 6.561 ( 1.778 -11.476 7.535) 13.843 6.905 ( 3.899 -3.388 -5.771) 7.745 7.435 ( 1.583 -2.502 12.658) 12.999 7.635 ( 11.549 -9.255 1.538) 14.880 8.067 ( -1.296 -1.069 1.784) 2.451 8.621 ( -5.314 6.979 3.998) 9.640 9.016 ( -5.437 5.196 0.525) 7.539 9.540 ( 3.773 -4.209 -6.117) 8.329 9.641 ( -2.840 11.551 1.115) 11.947 10.371 ( 8.063 8.099 -4.549) 12.301 12.251 ( 0.275 -0.613 5.275) 5.318 12.473 ( 6.269 6.046 -4.593) 9.847 12.971 ( 2.852 6.854 -5.887) 9.474 13.499 ( 5.930 10.056 2.232) 11.886 14.058 ( -5.480 -14.045 13.355) 20.140 14.686 ( -0.597 1.363 -0.027) 1.488 15.419 ( -3.171 -2.742 2.890) 5.092 16.481 ( -7.409 -3.731 -14.183) 16.431 17.241 ( 6.912 -2.783 -3.886) 8.403 17.550 ( 4.074 5.116 -2.199) 6.900 17.943 ( -1.080 -2.317 5.195) 5.790 18.672 ( -3.972 -0.827 -2.599) 4.818 ======================= Grid point 15 (10/226) ======================= q-point: ( 0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.002 ( 13.343 14.780 3.611) 20.237 2.272 ( 18.938 15.592 11.394) 27.048 3.541 ( -6.912 -10.461 -1.638) 12.645 4.211 ( 7.921 -0.565 -1.763) 8.135 4.819 ( -12.387 10.027 -6.403) 17.175 5.147 ( -9.343 -9.905 1.663) 13.718 5.658 ( -7.683 -1.921 3.888) 8.822 6.218 ( -4.003 -2.208 -4.633) 6.509 6.533 ( 1.381 -9.507 6.999) 11.886 6.898 ( 3.206 -4.277 -6.102) 8.112 7.499 ( 5.731 -10.501 5.897) 13.338 7.648 ( 5.247 -8.177 -5.590) 11.209 8.148 ( 1.140 5.497 10.242) 11.680 8.597 ( -4.816 1.995 2.062) 5.606 8.992 ( -4.437 7.742 0.926) 8.971 9.396 ( -6.307 -5.312 -7.962) 11.462 9.766 ( 0.019 10.614 0.694) 10.637 10.541 ( 6.165 6.478 -2.336) 9.243 12.272 ( -0.201 -1.513 4.562) 4.811 12.576 ( 2.849 4.265 -2.770) 5.829 13.065 ( 4.893 6.945 -7.497) 11.330 13.728 ( 6.645 8.267 5.407) 11.905 13.931 ( -2.949 -11.397 12.887) 17.455 14.705 ( -0.072 3.812 -0.498) 3.845 15.316 ( -6.447 -5.310 2.011) 8.591 16.273 ( -4.707 -2.429 -10.108) 11.412 17.314 ( 8.605 -2.801 -5.795) 10.746 17.632 ( 2.611 2.887 -2.898) 4.852 17.955 ( 0.163 -0.622 7.010) 7.040 18.549 ( -6.955 -1.823 -3.524) 8.007 ======================= Grid point 16 (11/226) ======================= q-point: ( 0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.283 ( 3.030 13.031 2.648) 13.638 2.774 ( 18.002 12.746 7.317) 23.240 3.346 ( -5.663 -10.188 0.678) 11.676 4.210 ( 6.590 -7.526 -2.535) 10.320 4.467 ( -20.503 -5.397 -0.372) 21.204 4.903 ( -11.752 -8.214 -9.433) 17.163 5.884 ( 14.568 11.814 0.374) 18.760 6.179 ( -0.932 3.872 8.183) 9.101 6.504 ( -0.212 -7.867 6.595) 10.268 6.841 ( -2.637 -0.321 -6.133) 6.684 7.414 ( 6.855 -18.328 -16.647) 25.691 7.732 ( 5.120 0.448 12.296) 13.327 8.221 ( -4.743 5.202 1.582) 7.216 8.578 ( 0.790 -1.198 6.626) 6.780 9.037 ( -1.311 9.337 2.184) 9.678 9.165 ( -7.828 -7.419 -7.799) 13.310 9.840 ( -2.465 8.713 0.683) 9.080 10.657 ( 2.643 4.423 -1.543) 5.379 12.266 ( -0.359 -4.060 3.991) 5.705 12.625 ( -0.077 5.047 -1.852) 5.377 13.161 ( 4.311 6.307 -7.914) 11.000 13.764 ( -4.097 -9.778 13.216) 16.943 14.047 ( 8.339 6.258 3.856) 11.116 14.736 ( -0.301 2.986 -1.331) 3.283 15.148 ( -6.935 -4.837 -0.538) 8.473 16.176 ( -1.383 1.340 -2.866) 3.453 17.400 ( 9.626 -2.938 -7.205) 12.378 17.649 ( -0.422 0.504 -2.263) 2.357 18.021 ( 1.777 1.098 7.542) 7.826 18.381 ( -7.219 -2.708 -4.159) 8.760 ======================= Grid point 17 (12/226) ======================= q-point: (-0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.423 ( -4.241 15.680 1.693) 16.331 3.076 ( -9.572 -7.095 1.640) 12.027 3.201 ( 11.364 5.721 0.799) 12.748 4.133 ( -6.215 -13.106 2.803) 14.773 4.375 ( 12.156 0.429 -0.466) 12.172 4.631 ( -2.098 -5.447 -4.515) 7.379 6.071 ( 5.629 2.743 -3.825) 7.337 6.253 ( -16.792 3.602 6.267) 18.282 6.466 ( 5.730 -12.323 12.860) 18.710 6.828 ( 2.015 14.841 -8.740) 17.340 7.259 ( 9.212 -14.794 -23.451) 29.218 7.877 ( 2.546 -0.876 8.391) 8.812 8.149 ( -6.051 4.986 -3.823) 8.723 8.658 ( 1.770 -2.121 12.392) 12.696 8.927 ( -5.982 -7.955 -2.812) 10.343 9.162 ( 3.693 8.930 1.073) 9.723 9.864 ( -4.439 6.696 2.123) 8.310 10.691 ( -1.151 2.098 -1.207) 2.680 12.233 ( -0.295 -6.300 3.795) 7.360 12.659 ( -0.818 6.380 -2.314) 6.836 13.222 ( 1.417 4.222 -5.503) 7.079 13.690 ( -1.777 -8.268 9.110) 12.430 14.178 ( -1.825 2.614 -0.274) 3.200 14.708 ( -1.625 -3.427 0.108) 3.794 15.071 ( 0.976 3.354 -2.715) 4.424 16.219 ( 1.736 5.653 4.260) 7.288 17.480 ( 9.255 -3.907 -9.183) 13.611 17.616 ( -2.326 0.058 0.212) 2.337 18.063 ( -4.534 -0.440 3.614) 5.815 18.272 ( 1.325 -1.275 -0.479) 1.900 ======================= Grid point 18 (13/226) ======================= q-point: (-0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.369 ( -17.259 6.733 -5.062) 19.205 2.794 ( -17.403 -1.366 2.642) 17.655 3.425 ( 8.477 3.354 -2.181) 9.374 4.048 ( 11.880 -14.947 0.957) 19.117 4.516 ( 5.180 6.852 2.526) 8.954 4.810 ( 19.212 -2.108 6.203) 20.298 5.811 ( -30.386 -3.241 0.137) 30.558 6.185 ( 6.088 2.763 0.739) 6.727 6.543 ( 4.877 -6.379 9.933) 12.772 7.001 ( 9.200 5.178 -12.181) 16.119 7.179 ( 7.237 -0.869 -20.455) 21.715 7.855 ( -2.116 -2.681 -7.024) 7.810 8.120 ( -4.417 6.621 1.150) 8.042 8.674 ( -2.065 -9.242 11.637) 15.004 8.845 ( 0.936 -1.633 5.217) 5.546 9.329 ( 5.270 7.650 0.849) 9.328 9.845 ( -6.281 4.086 3.913) 8.453 10.647 ( -4.612 0.082 -0.838) 4.688 12.190 ( 0.137 -6.698 3.638) 7.623 12.692 ( -0.914 6.566 -2.910) 7.240 13.210 ( -3.638 0.424 0.119) 3.664 13.674 ( 2.461 -2.916 1.289) 4.027 14.019 ( -11.415 -5.044 -4.657) 13.321 14.675 ( -0.849 -0.712 1.910) 2.208 15.172 ( 6.525 4.829 -2.604) 8.525 16.378 ( 4.162 8.720 8.178) 12.659 17.474 ( 1.402 -4.586 -8.689) 9.924 17.627 ( 3.221 0.148 0.701) 3.300 17.933 ( -7.619 -2.260 -1.235) 8.042 18.367 ( 6.539 0.162 4.438) 7.904 ======================= Grid point 19 (14/226) ======================= q-point: (-0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.977 ( -24.957 -0.969 -9.370) 26.676 2.410 ( -28.086 -3.249 -1.497) 28.313 3.629 ( 12.776 3.700 -0.105) 13.301 4.006 ( -10.478 -15.583 -0.165) 18.779 4.793 ( 14.795 9.444 9.013) 19.731 5.068 ( 8.003 -1.740 3.683) 8.980 5.523 ( 4.564 5.371 0.804) 7.094 6.331 ( 7.772 -0.137 4.691) 9.079 6.637 ( 4.858 -1.246 7.025) 8.632 7.006 ( 10.289 -12.106 -20.903) 26.256 7.234 ( -1.803 13.825 -7.228) 15.704 7.722 ( -4.486 -0.821 -12.447) 13.256 8.126 ( 0.092 4.283 -2.662) 5.044 8.620 ( -1.887 -9.427 12.167) 15.507 8.906 ( 1.140 0.545 7.619) 7.723 9.460 ( 1.987 6.083 -1.129) 6.498 9.786 ( -6.289 0.109 5.353) 8.260 10.538 ( -7.414 -0.977 -0.083) 7.478 12.157 ( 0.667 -5.778 3.100) 6.591 12.705 ( -3.231 5.939 -3.422) 7.578 13.127 ( -6.448 -0.983 2.902) 7.139 13.624 ( -10.520 -5.076 0.980) 11.722 13.839 ( 5.500 -1.518 -8.472) 10.214 14.671 ( -1.105 1.001 1.369) 2.025 15.304 ( 6.008 2.778 -1.645) 6.820 16.597 ( 5.595 8.916 8.226) 13.359 17.379 ( -1.678 -3.538 -7.144) 8.146 17.679 ( 0.341 -1.091 1.538) 1.916 17.802 ( -2.386 -1.416 -2.949) 4.049 18.504 ( 6.173 -0.230 5.291) 8.133 ======================= Grid point 20 (15/226) ======================= q-point: (-0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( -28.160 1.487 -10.099) 29.953 1.825 ( -32.162 -8.538 -5.608) 33.745 3.218 ( -50.253 -12.290 0.342) 51.735 4.029 ( 17.531 3.514 1.791) 17.969 5.236 ( 19.158 7.564 11.838) 23.757 5.266 ( 18.802 -0.415 -3.576) 19.143 5.882 ( 20.549 7.688 6.668) 22.931 6.482 ( 9.093 -2.694 2.408) 9.785 6.747 ( 4.861 -2.376 5.122) 7.450 6.921 ( 5.208 -6.753 -16.422) 18.504 7.242 ( -7.593 8.753 0.266) 11.591 7.540 ( -7.626 -0.016 -14.233) 16.147 8.187 ( 6.109 3.232 -6.343) 9.381 8.569 ( -2.572 -8.013 10.384) 13.366 8.970 ( -0.207 2.194 5.556) 5.977 9.477 ( -5.288 4.820 -1.739) 7.364 9.729 ( -1.271 -3.631 4.481) 5.906 10.398 ( -8.449 -0.649 1.361) 8.583 12.141 ( 1.016 -4.034 2.535) 4.872 12.624 ( -9.685 3.913 -5.365) 11.743 13.027 ( -6.887 -0.499 3.031) 7.541 13.414 ( -7.051 -4.083 3.621) 8.916 13.944 ( 10.417 0.659 -7.999) 13.151 14.675 ( -0.149 0.817 0.682) 1.075 15.393 ( 3.435 0.973 -0.837) 3.667 16.809 ( 6.623 5.111 4.576) 9.536 17.282 ( -2.108 -0.941 -6.341) 6.748 17.589 ( -7.301 -2.284 0.859) 7.698 17.833 ( 5.126 0.174 -0.849) 5.199 18.621 ( 4.370 -0.411 5.382) 6.945 ======================= Grid point 21 (16/226) ======================= q-point: (-0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( -29.758 10.441 -7.491) 32.414 1.142 ( -33.714 -10.945 -7.560) 36.243 2.210 ( -63.738 1.016 7.086) 64.139 4.324 ( 13.807 0.080 0.209) 13.809 5.570 ( 22.467 -0.828 -8.274) 23.956 5.696 ( 20.712 0.226 13.883) 24.936 6.310 ( 17.221 5.112 5.830) 18.886 6.574 ( 6.079 -3.741 -7.415) 10.293 6.760 ( 5.010 -8.646 -2.975) 10.426 6.924 ( -1.519 7.475 2.592) 8.056 7.165 ( -8.272 -1.710 5.503) 10.081 7.310 ( -11.578 2.694 -9.413) 15.163 8.301 ( 8.791 1.775 -6.273) 10.944 8.514 ( -2.025 -4.597 5.812) 7.682 8.978 ( -5.021 2.411 1.684) 5.819 9.399 ( -5.112 1.273 0.545) 5.296 9.728 ( 1.978 -2.165 0.892) 3.065 10.278 ( -6.971 0.568 1.152) 7.088 12.147 ( 0.951 -1.101 2.807) 3.161 12.418 ( -12.583 1.454 -5.449) 13.789 12.931 ( -5.667 0.100 0.857) 5.732 13.365 ( -1.200 -0.049 3.602) 3.797 14.067 ( 8.468 -0.418 -3.075) 9.018 14.692 ( 1.307 0.074 0.237) 1.330 15.431 ( 1.155 0.012 -0.102) 1.160 16.946 ( 7.829 -2.341 -4.187) 9.182 17.232 ( -2.035 3.806 -3.265) 5.412 17.449 ( -7.667 -1.307 0.979) 7.839 17.916 ( 4.302 -0.041 0.866) 4.388 18.703 ( 2.233 -0.137 4.392) 4.929 ======================= Grid point 23 (17/226) ======================= q-point: ( 0.09 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( -7.598 24.774 21.533) 33.692 1.384 ( -12.788 27.402 17.687) 35.032 2.267 ( -32.370 46.452 13.963) 58.314 4.296 ( 7.748 -11.400 -2.520) 14.012 5.398 ( 6.069 -18.789 -18.241) 26.881 5.586 ( 10.481 -15.163 -5.423) 19.214 6.251 ( 17.147 -11.324 -2.976) 20.763 6.559 ( 5.360 -7.625 -11.353) 14.689 6.756 ( -0.169 -9.782 4.248) 10.666 7.078 ( -10.096 -3.100 12.283) 16.199 7.181 ( -0.006 4.787 10.829) 11.840 7.622 ( -4.495 5.353 20.234) 21.407 8.363 ( -7.437 -9.969 -3.748) 12.990 8.439 ( 12.181 5.797 1.821) 13.612 8.948 ( 4.578 7.211 -1.820) 8.733 9.372 ( -5.529 2.998 -3.094) 7.009 9.664 ( 0.438 -1.748 -5.741) 6.017 10.178 ( -6.404 10.665 -7.024) 14.286 12.105 ( -0.709 -2.997 -2.027) 3.687 12.509 ( -6.807 13.418 4.233) 15.630 12.906 ( 2.116 7.569 -1.539) 8.008 13.225 ( -4.886 4.569 -8.799) 11.053 14.263 ( 3.842 -12.639 14.238) 19.423 14.691 ( 1.132 -1.157 0.247) 1.638 15.453 ( 0.663 -0.434 2.368) 2.497 16.863 ( 6.527 0.072 -11.527) 13.246 17.251 ( -2.702 3.034 -1.683) 4.398 17.415 ( -6.585 5.719 -1.601) 8.867 17.945 ( 1.666 -4.536 3.424) 5.922 18.606 ( 1.135 -4.021 -4.994) 6.512 ======================= Grid point 24 (18/226) ======================= q-point: ( 0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( -14.637 19.553 23.679) 34.018 1.563 ( -4.126 30.321 13.490) 33.442 2.721 ( 9.677 53.284 16.930) 56.740 4.225 ( -0.231 -13.942 -2.289) 14.131 5.100 ( -1.068 -18.588 -19.234) 26.770 5.624 ( 10.627 -16.592 -3.714) 20.051 6.325 ( 5.176 -5.791 -9.874) 12.563 6.514 ( 6.071 -10.714 -5.995) 13.696 6.592 ( -6.796 -18.739 8.034) 21.491 6.894 ( -8.876 -8.172 4.438) 12.856 7.303 ( 2.219 4.313 8.435) 9.730 7.614 ( -9.872 -2.738 14.032) 17.374 8.141 ( -4.060 -7.060 -4.104) 9.120 8.759 ( 7.947 10.976 7.301) 15.393 9.085 ( -0.622 9.819 3.231) 10.355 9.293 ( 2.292 -1.026 -5.883) 6.396 9.684 ( 3.891 2.881 -4.305) 6.479 10.183 ( -0.981 11.080 -6.423) 12.845 12.116 ( 5.167 -1.377 -0.987) 5.438 12.513 ( -8.682 13.526 2.263) 16.231 12.986 ( -1.830 4.453 -1.480) 5.037 13.287 ( 6.973 13.801 -4.846) 16.204 14.203 ( -2.593 -15.736 12.662) 20.364 14.692 ( 0.240 -1.180 0.546) 1.322 15.470 ( -0.305 -0.639 3.585) 3.655 16.784 ( -5.870 -1.322 -13.868) 15.117 17.153 ( -4.948 -1.923 -2.416) 5.833 17.447 ( 1.607 8.032 -1.853) 8.398 17.942 ( 1.104 -4.922 3.699) 6.255 18.619 ( 6.000 -2.882 -3.816) 7.673 ======================= Grid point 25 (19/226) ======================= q-point: ( 0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( -0.543 22.844 15.214) 27.452 1.917 ( 3.087 27.228 13.598) 30.590 3.489 ( 13.812 32.408 10.778) 36.841 4.028 ( -3.469 -10.513 -1.540) 11.178 4.859 ( 1.234 -6.632 -15.120) 16.557 5.514 ( -0.589 -22.289 0.006) 22.297 6.189 ( -14.254 -7.337 -1.189) 16.076 6.328 ( -3.259 -11.121 -1.520) 11.688 6.471 ( 2.590 -9.673 -0.998) 10.063 6.740 ( 2.674 -11.766 -5.703) 13.346 7.421 ( -0.602 -10.950 4.799) 11.970 7.466 ( -0.558 0.380 5.691) 5.731 8.085 ( 1.133 0.072 2.854) 3.072 8.868 ( -9.019 10.264 4.934) 14.527 9.166 ( -3.391 7.322 4.214) 9.103 9.375 ( 8.557 -2.455 -3.187) 9.456 9.761 ( 1.782 8.169 -1.593) 8.511 10.284 ( 6.299 8.362 -6.277) 12.207 12.202 ( 5.936 -2.545 1.613) 6.657 12.536 ( -4.767 13.792 -0.084) 14.593 12.984 ( -0.272 4.777 -4.057) 6.273 13.534 ( 5.774 14.292 2.106) 15.558 14.072 ( -3.958 -15.060 12.473) 19.951 14.696 ( 0.614 0.668 0.129) 0.917 15.463 ( -2.367 -2.186 4.815) 5.794 16.535 ( -10.767 0.048 -15.130) 18.570 17.091 ( 2.902 -5.181 -2.891) 6.605 17.540 ( 2.465 6.756 -2.732) 7.693 17.938 ( 1.019 -4.321 4.298) 6.179 18.643 ( 2.521 -3.735 -3.913) 5.968 ======================= Grid point 26 (20/226) ======================= q-point: ( 0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.024 ( 9.003 22.438 8.853) 25.746 2.324 ( 7.153 22.769 12.752) 27.059 3.556 ( -8.393 -9.720 -1.115) 12.891 4.088 ( 4.186 -1.851 -1.475) 4.809 4.943 ( 8.086 19.610 -9.576) 23.273 5.198 ( -10.918 -23.089 0.903) 25.557 5.774 ( -16.726 -15.514 4.868) 23.326 6.259 ( -1.534 3.074 -3.718) 5.063 6.434 ( 3.815 -11.067 6.690) 13.483 6.686 ( 9.883 -9.643 -13.636) 19.407 7.246 ( -0.284 -15.305 -1.887) 15.423 7.590 ( 3.847 1.740 6.850) 8.046 8.183 ( 4.964 1.929 7.680) 9.346 8.798 ( -10.932 5.650 3.146) 12.701 9.168 ( -6.363 7.728 2.381) 10.290 9.366 ( -1.930 -5.302 -5.100) 7.606 9.886 ( 0.934 11.293 0.429) 11.340 10.453 ( 9.104 6.083 -4.809) 11.959 12.251 ( 2.107 -4.945 3.760) 6.560 12.618 ( -0.497 12.534 -1.822) 12.675 13.032 ( 2.404 6.519 -4.281) 8.161 13.761 ( 4.221 11.148 5.494) 13.125 13.947 ( -3.525 -12.932 12.620) 18.410 14.729 ( 1.064 3.063 -0.430) 3.271 15.391 ( -6.173 -4.367 3.866) 8.493 16.306 ( -7.249 1.668 -11.225) 13.466 17.098 ( 7.237 -5.917 -5.678) 10.937 17.617 ( 1.900 5.054 -3.081) 6.217 17.953 ( 2.002 -3.135 5.178) 6.376 18.577 ( -2.529 -4.487 -4.583) 6.894 ======================= Grid point 27 (21/226) ======================= q-point: ( 0.45 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.418 ( 5.868 22.798 5.241) 24.117 2.724 ( 9.938 16.543 10.500) 21.970 3.347 ( -5.564 -8.867 2.037) 10.664 4.031 ( 2.733 -8.795 -3.662) 9.911 4.740 ( -20.127 -18.920 1.006) 27.642 4.937 ( -12.661 -2.339 -14.182) 19.155 5.696 ( 13.179 -2.403 1.749) 13.510 6.277 ( -0.342 0.877 8.283) 8.336 6.470 ( 5.083 -3.825 2.491) 6.831 6.726 ( 10.933 1.704 -15.931) 19.397 7.088 ( -1.091 -14.230 -3.353) 14.661 7.719 ( 4.875 0.563 10.934) 11.984 8.327 ( 1.961 2.876 5.905) 6.854 8.679 ( -8.681 3.030 3.596) 9.872 9.135 ( -5.072 2.322 -7.619) 9.442 9.207 ( -6.724 -2.674 2.111) 7.538 9.980 ( -1.804 9.777 0.189) 9.944 10.615 ( 6.542 4.554 -3.300) 8.627 12.233 ( 0.412 -6.983 3.468) 7.808 12.707 ( -1.529 10.389 -1.214) 10.571 13.123 ( 3.163 7.857 -4.861) 9.765 13.812 ( -4.059 -11.849 14.577) 19.219 14.012 ( 6.904 8.574 3.969) 11.702 14.759 ( -0.586 1.487 -1.331) 2.080 15.234 ( -8.454 -3.133 0.072) 9.016 16.216 ( -2.040 4.373 -2.847) 5.603 17.143 ( 9.780 -5.740 -8.203) 13.996 17.656 ( 0.121 3.020 -2.580) 3.974 18.012 ( 3.803 -1.509 5.842) 7.132 18.430 ( -5.810 -4.914 -5.143) 9.184 ======================= Grid point 28 (22/226) ======================= q-point: ( 0.55 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.702 ( -2.369 25.323 4.058) 25.756 3.073 ( 10.610 9.114 5.347) 14.974 3.172 ( -7.930 -9.155 2.447) 12.357 4.080 ( 8.082 -8.567 3.601) 12.316 4.250 ( -12.054 -13.204 -3.104) 18.146 4.612 ( -7.857 -7.219 -9.024) 13.974 5.891 ( 13.069 -3.789 -3.548) 14.062 6.337 ( 5.000 -11.333 13.255) 18.142 6.525 ( 3.084 1.284 -3.209) 4.632 6.858 ( -9.068 -12.744 -5.096) 16.450 6.894 ( 7.864 18.322 -15.257) 25.106 7.880 ( 3.553 0.700 10.951) 11.534 8.299 ( -7.569 3.977 -2.043) 8.791 8.691 ( 0.781 -0.162 10.288) 10.319 8.918 ( -6.524 -7.837 -6.442) 12.062 9.205 ( 0.126 5.157 1.065) 5.267 10.024 ( -3.509 7.751 1.591) 8.656 10.704 ( 1.966 2.909 -2.447) 4.280 12.185 ( 0.329 -7.943 3.197) 8.569 12.747 ( -2.874 7.988 -1.767) 8.671 13.215 ( 1.853 8.685 -5.451) 10.419 13.715 ( -4.014 -11.332 13.435) 18.029 14.206 ( 3.489 5.187 1.491) 6.426 14.699 ( -2.336 -4.471 -1.402) 5.235 15.116 ( -4.482 3.696 -2.161) 6.198 16.274 ( 1.765 6.396 4.107) 7.803 17.208 ( 10.559 -4.897 -10.008) 15.350 17.654 ( -1.493 1.645 -0.849) 2.378 18.106 ( 3.051 -0.872 6.056) 6.837 18.254 ( -4.682 -4.437 -4.999) 8.161 ======================= Grid point 29 (23/226) ======================= q-point: (-0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.729 ( -19.304 8.289 -2.869) 21.203 3.049 ( -6.610 6.805 6.450) 11.472 3.302 ( 7.368 3.302 -2.608) 8.485 3.784 ( -1.947 -20.958 -0.311) 21.050 4.452 ( 14.133 6.613 3.239) 15.937 4.529 ( 10.958 -3.276 0.817) 11.466 6.032 ( 11.008 -6.669 1.148) 12.921 6.329 ( -13.469 -0.996 4.029) 14.094 6.470 ( -10.008 -12.700 8.602) 18.315 6.611 ( 11.205 -6.119 -14.072) 19.000 7.107 ( 6.283 19.332 -14.860) 25.180 7.887 ( -5.852 3.118 -5.406) 8.556 8.258 ( -3.880 4.097 2.145) 6.036 8.637 ( -1.650 -14.305 6.505) 15.801 8.869 ( 1.011 2.315 6.990) 7.432 9.300 ( 5.409 4.435 -1.013) 7.067 10.026 ( -5.826 5.070 3.356) 8.420 10.709 ( -2.211 1.486 -1.583) 3.099 12.139 ( 0.687 -7.255 3.445) 8.061 12.756 ( -1.953 5.724 -2.607) 6.586 13.273 ( -1.301 7.988 -4.576) 9.297 13.638 ( -1.308 -8.044 8.391) 11.697 14.137 ( -10.752 -4.239 -3.479) 12.070 14.687 ( 2.166 0.231 2.940) 3.659 15.121 ( 1.673 4.560 -2.722) 5.568 16.421 ( 4.557 5.981 5.902) 9.559 17.269 ( 8.399 -2.530 -11.151) 14.188 17.641 ( -1.327 0.714 1.942) 2.458 18.025 ( -7.455 -3.636 -2.133) 8.564 18.281 ( 7.040 -0.701 4.242) 8.249 ======================= Grid point 30 (24/226) ======================= q-point: (-0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.366 ( -25.057 3.221 -5.245) 25.802 2.792 ( -25.717 -7.358 -2.669) 26.882 3.419 ( 12.021 0.531 -2.712) 12.335 3.871 ( 14.148 -0.418 2.602) 14.392 4.676 ( 13.078 2.053 4.717) 14.054 4.915 ( 18.455 5.803 9.968) 21.763 5.809 ( -30.539 -2.332 0.386) 30.631 6.188 ( 8.460 -4.243 3.106) 9.961 6.424 ( 12.657 -16.741 -6.577) 21.994 6.718 ( 6.253 3.395 1.200) 7.216 7.274 ( 4.379 12.527 -11.304) 17.432 7.774 ( -5.964 7.200 -12.770) 15.827 8.180 ( -6.406 -0.929 -1.680) 6.688 8.583 ( 2.251 -10.697 10.697) 15.294 8.948 ( 0.418 1.323 7.974) 8.093 9.433 ( 6.495 3.448 -1.931) 7.603 9.959 ( -8.769 1.080 4.149) 9.761 10.648 ( -5.553 0.812 -0.504) 5.634 12.113 ( 0.880 -5.411 3.607) 6.563 12.767 ( -0.954 4.462 -2.737) 5.321 13.255 ( -6.006 5.227 -1.771) 8.156 13.641 ( 5.055 -3.314 0.487) 6.064 13.838 ( -15.071 -5.949 -2.185) 16.350 14.725 ( -1.634 1.669 2.951) 3.763 15.211 ( 6.265 2.057 -1.834) 6.844 16.581 ( 6.680 1.629 2.290) 7.247 17.297 ( 2.916 2.501 -10.418) 11.104 17.662 ( 1.412 -0.351 4.865) 5.078 17.860 ( -6.753 -2.875 -2.393) 7.720 18.427 ( 7.254 -0.530 5.628) 9.196 ======================= Grid point 31 (25/226) ======================= q-point: (-0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.944 ( -27.620 7.899 -5.608) 29.270 2.196 ( -29.637 -12.359 -5.584) 32.593 3.633 ( 9.341 -0.216 -2.490) 9.669 3.963 ( -11.324 5.656 5.423) 13.770 4.985 ( 17.403 -1.989 10.124) 20.231 5.110 ( -1.272 0.224 1.102) 1.698 5.669 ( 16.237 6.169 1.294) 17.418 6.297 ( 8.783 -7.028 2.442) 11.511 6.453 ( 12.154 -11.743 -5.737) 17.848 6.877 ( 3.914 7.769 4.219) 9.669 7.322 ( -0.777 0.209 -5.055) 5.119 7.680 ( -8.527 12.430 -11.153) 18.751 8.085 ( 0.963 -3.077 -3.763) 4.956 8.582 ( -0.253 -5.839 7.873) 9.805 9.001 ( 0.673 0.091 4.534) 4.584 9.546 ( 4.526 3.937 -2.503) 6.500 9.804 ( -10.787 -4.242 3.952) 12.246 10.544 ( -7.740 0.798 0.500) 7.797 12.113 ( 1.134 -2.482 3.969) 4.816 12.744 ( -4.656 3.001 -5.344) 7.697 13.169 ( -7.925 2.870 -1.000) 8.488 13.564 ( -11.051 -2.510 2.313) 11.567 13.735 ( 8.592 -0.876 -1.761) 8.814 14.709 ( -2.501 0.377 1.483) 2.932 15.318 ( 5.822 0.147 -0.726) 5.869 16.682 ( 7.945 -4.396 -4.792) 10.267 17.301 ( -1.382 7.294 -6.889) 10.128 17.690 ( -5.682 -1.158 2.554) 6.337 17.763 ( 2.991 -1.258 1.749) 3.686 18.567 ( 6.124 -0.777 5.532) 8.289 ======================= Grid point 32 (26/226) ======================= q-point: (-0.09 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( -28.836 4.144 -6.128) 29.769 1.580 ( -29.589 6.024 0.835) 30.207 3.297 ( -49.362 11.296 7.560) 51.200 4.049 ( 14.861 -2.650 -0.304) 15.098 5.161 ( 15.547 -4.227 -8.149) 18.055 5.376 ( 22.531 -7.136 10.256) 25.764 6.034 ( 17.895 -5.181 -2.109) 18.749 6.424 ( 10.358 4.226 2.842) 11.542 6.533 ( 9.932 -5.645 -2.820) 11.767 7.011 ( 0.749 6.870 -1.032) 6.987 7.224 ( -4.325 -6.532 5.378) 9.502 7.580 ( -12.213 9.041 1.303) 15.251 8.123 ( 8.051 -0.468 -5.264) 9.630 8.556 ( -2.424 -0.792 2.529) 3.591 9.018 ( 0.098 -1.617 -0.725) 1.775 9.575 ( -11.713 0.704 2.080) 11.917 9.648 ( 4.531 -2.674 -1.595) 5.498 10.419 ( -8.484 1.047 -0.243) 8.552 12.155 ( 1.309 1.136 5.015) 5.307 12.589 ( -10.329 0.964 -7.631) 12.879 13.045 ( -7.709 1.111 -2.128) 8.074 13.452 ( -6.555 1.962 3.380) 7.632 13.895 ( 11.332 -0.606 3.249) 11.804 14.683 ( -0.701 -0.774 0.310) 1.089 15.391 ( 3.584 -0.820 0.243) 3.685 16.718 ( 8.503 -5.328 -10.765) 14.717 17.306 ( -2.798 6.624 -3.369) 7.940 17.572 ( -7.112 0.564 0.149) 7.136 17.851 ( 4.540 -1.114 4.375) 6.402 18.668 ( 4.014 -1.913 3.269) 5.519 ======================= Grid point 34 (27/226) ======================= q-point: ( 0.09 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.764 ( -8.491 21.472 20.517) 30.888 1.956 ( -14.336 27.656 8.601) 32.316 3.298 ( -35.708 29.533 8.566) 47.124 3.990 ( 11.767 -12.268 -2.234) 17.145 4.994 ( 11.407 -13.479 -14.399) 22.784 5.261 ( 6.613 -17.884 -4.539) 19.601 5.814 ( 18.288 -12.084 -0.581) 21.928 6.350 ( 2.483 -6.748 -11.148) 13.266 6.648 ( 2.030 -9.396 -3.791) 10.334 7.280 ( 1.703 5.408 7.856) 9.688 7.282 ( -8.708 -5.771 17.113) 20.050 7.828 ( -0.957 5.799 16.346) 17.371 8.297 ( 12.158 3.524 3.884) 13.241 8.384 ( -8.718 -6.825 -8.319) 13.849 8.874 ( 5.030 1.741 -4.933) 7.257 9.498 ( -1.051 6.182 0.602) 6.299 9.613 ( -2.800 -0.755 -8.270) 8.763 10.356 ( -7.282 8.077 -2.662) 11.196 12.088 ( -3.202 -4.401 -2.967) 6.199 12.732 ( -0.346 11.461 6.014) 12.948 12.951 ( -0.845 8.055 -4.729) 9.378 13.363 ( -11.066 5.202 -2.191) 12.422 14.146 ( 6.027 -11.022 13.054) 18.117 14.667 ( 1.157 0.023 -0.054) 1.158 15.434 ( 2.971 -1.602 3.843) 5.115 16.651 ( 10.638 1.151 -12.023) 16.095 17.325 ( -3.549 3.867 -1.428) 5.440 17.562 ( -5.941 4.769 -1.773) 7.822 17.894 ( 1.174 -5.823 5.148) 7.860 18.513 ( 0.378 -6.458 -5.958) 8.794 ======================= Grid point 35 (28/226) ======================= q-point: ( 0.18 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.970 ( -7.850 22.289 16.788) 28.987 2.054 ( -12.482 19.923 18.902) 30.167 3.313 ( -10.646 45.930 8.383) 47.887 4.021 ( 7.086 -13.772 -1.124) 15.529 4.800 ( 1.280 -19.079 -17.298) 25.785 5.257 ( 11.616 -13.382 -6.613) 18.914 6.004 ( 18.046 -12.402 -0.604) 21.905 6.254 ( 3.231 -7.489 -11.425) 14.038 6.505 ( -1.425 -18.146 -0.753) 18.218 7.062 ( -14.513 -13.648 14.479) 24.628 7.395 ( -0.901 6.574 4.076) 7.788 7.831 ( -11.342 -4.164 8.202) 14.603 8.136 ( -5.529 -5.154 -3.203) 8.209 8.682 ( 18.202 12.408 8.303) 23.542 9.025 ( 11.331 1.256 -1.979) 11.571 9.413 ( -11.732 6.945 -5.621) 14.747 9.623 ( 4.290 3.805 -2.139) 6.120 10.313 ( -5.754 8.557 -3.503) 10.891 12.032 ( 2.053 -1.887 -1.926) 3.389 12.801 ( -5.797 12.727 3.201) 14.346 13.040 ( -1.781 3.179 -0.545) 3.684 13.329 ( 1.320 16.721 -2.522) 16.961 14.142 ( 0.715 -15.132 11.551) 19.051 14.680 ( 0.498 -0.636 0.392) 0.898 15.484 ( 1.133 -1.206 5.741) 5.975 16.699 ( 3.767 -2.384 -11.914) 12.721 17.249 ( -8.371 0.907 -6.055) 10.371 17.518 ( -2.771 6.326 -1.055) 6.987 17.884 ( 1.784 -6.709 4.878) 8.485 18.465 ( 4.712 -4.371 -4.832) 8.041 ======================= Grid point 36 (29/226) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.056 ( -11.072 15.225 19.198) 26.888 2.261 ( -2.765 26.500 11.785) 29.134 3.738 ( -0.344 27.581 6.643) 28.372 3.946 ( 1.704 -5.510 -1.398) 5.935 4.631 ( 7.859 -4.450 -15.060) 17.560 5.224 ( 6.749 -20.449 -4.122) 21.925 6.133 ( 13.656 -13.216 -7.836) 20.556 6.200 ( 3.883 -2.384 -8.555) 9.693 6.292 ( -1.669 -22.513 9.401) 24.454 6.708 ( -17.664 -14.687 2.240) 23.081 7.459 ( -1.535 0.895 6.218) 6.467 7.561 ( -11.850 -5.567 0.170) 13.093 8.078 ( 0.338 -0.108 1.681) 1.719 9.067 ( 0.918 5.953 3.537) 6.985 9.176 ( 12.742 1.372 -0.399) 12.822 9.339 ( -4.980 10.625 3.984) 12.393 9.731 ( 5.605 5.655 -2.824) 8.448 10.291 ( -2.028 6.768 -4.863) 8.577 12.084 ( 5.909 -0.691 -0.810) 6.004 12.823 ( -10.869 14.503 1.361) 18.175 13.001 ( 0.226 1.206 -0.064) 1.229 13.600 ( 6.554 19.602 0.504) 20.674 14.051 ( -2.004 -14.549 11.092) 18.404 14.686 ( 0.935 -0.338 0.336) 1.049 15.511 ( -1.188 -1.907 7.532) 7.860 16.589 ( -5.099 -1.084 -14.391) 15.306 17.047 ( -6.626 -4.735 -4.999) 9.556 17.563 ( 0.659 6.842 -2.611) 7.352 17.885 ( 2.214 -5.989 4.485) 7.803 18.498 ( 6.170 -4.600 -4.207) 8.771 ======================= Grid point 37 (30/226) ======================= q-point: ( 0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.218 ( 0.197 17.543 13.856) 22.356 2.562 ( 1.403 24.689 9.825) 26.609 3.624 ( -9.800 -9.128 0.944) 13.425 4.033 ( -0.733 0.476 -3.615) 3.719 4.876 ( 14.463 20.993 -10.881) 27.718 5.035 ( 0.300 -23.978 -2.048) 24.067 5.969 ( -14.254 -20.649 5.481) 25.683 6.221 ( 1.879 -6.841 -5.468) 8.957 6.258 ( 10.424 -5.288 0.639) 11.706 6.330 ( 0.347 -13.749 -5.887) 14.960 7.259 ( -10.285 -6.423 2.848) 12.456 7.592 ( 3.183 3.556 4.389) 6.483 8.141 ( 4.923 0.727 3.839) 6.285 8.994 ( -5.736 -1.312 -2.363) 6.341 9.329 ( -2.883 5.887 -0.300) 6.562 9.394 ( -4.667 5.444 7.027) 10.040 9.903 ( 7.852 7.167 -0.779) 10.660 10.339 ( 5.502 4.716 -5.777) 9.268 12.167 ( 4.692 -2.507 0.712) 5.367 12.776 ( -5.203 9.659 -3.914) 11.648 13.077 ( -0.320 8.492 5.050) 9.885 13.857 ( 2.640 14.866 2.428) 15.293 13.948 ( -2.454 -11.941 10.672) 16.202 14.720 ( 2.431 1.293 0.063) 2.754 15.482 ( -5.164 -3.254 7.117) 9.376 16.389 ( -7.860 2.913 -12.981) 15.452 16.923 ( 1.818 -7.450 -4.797) 9.045 17.623 ( 1.313 5.578 -3.273) 6.599 17.900 ( 2.898 -4.976 4.341) 7.211 18.496 ( 2.393 -5.685 -4.907) 7.882 ======================= Grid point 38 (31/226) ======================= q-point: ( 0.45 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.540 ( 8.412 18.557 9.205) 22.357 2.874 ( 3.050 20.325 7.964) 22.042 3.417 ( -8.650 -3.627 3.502) 10.012 3.932 ( -2.699 -5.888 -2.962) 7.122 4.688 ( -6.381 -24.169 -6.048) 25.719 5.154 ( -8.414 9.839 -12.369) 17.905 5.509 ( -5.858 -18.764 4.706) 20.213 6.110 ( 11.540 -21.641 -11.914) 27.266 6.296 ( 3.788 -1.859 0.093) 4.220 6.563 ( 13.850 14.409 2.017) 20.087 7.102 ( -6.411 -3.403 5.323) 9.001 7.708 ( 4.340 1.362 7.001) 8.349 8.289 ( 7.545 1.645 4.684) 9.032 8.862 ( -6.972 -2.083 -0.557) 7.298 9.230 ( -11.575 2.604 -4.781) 12.791 9.355 ( -7.655 2.838 4.678) 9.410 10.048 ( 2.611 5.679 -1.254) 6.375 10.486 ( 10.095 3.181 -4.177) 11.378 12.176 ( 0.664 -5.640 1.221) 5.809 12.811 ( 0.302 9.039 -4.035) 9.903 13.185 ( -1.382 10.329 5.054) 11.582 13.847 ( -3.564 -10.916 12.246) 16.788 14.037 ( 2.896 10.381 0.876) 10.813 14.760 ( 0.519 -0.694 -0.487) 0.994 15.368 ( -8.685 -0.686 2.410) 9.039 16.287 ( -2.977 5.608 -3.894) 7.449 16.894 ( 7.065 -6.935 -6.835) 12.030 17.666 ( 0.650 3.882 -2.945) 4.916 17.946 ( 4.613 -3.575 4.395) 7.306 18.409 ( -2.056 -6.120 -5.550) 8.514 ======================= Grid point 39 (32/226) ======================= q-point: ( 0.55 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.919 ( 9.296 19.065 6.173) 22.090 3.107 ( 1.126 10.606 5.238) 11.882 3.282 ( -10.494 1.231 3.604) 11.164 3.903 ( 6.226 -2.502 2.916) 7.316 4.287 ( -11.929 -19.437 -6.890) 23.824 4.710 ( -20.490 -9.892 -6.148) 23.569 5.562 ( 15.053 -8.615 -4.911) 18.026 6.049 ( 12.273 -22.221 -5.040) 25.880 6.360 ( 4.483 2.068 -2.269) 5.434 6.905 ( 6.498 17.995 -8.795) 21.057 7.041 ( -5.956 4.072 10.087) 12.401 7.872 ( 7.406 0.674 12.509) 14.553 8.402 ( -0.775 0.901 0.702) 1.381 8.747 ( -3.567 -3.844 3.214) 6.151 8.981 ( -12.964 0.717 -6.853) 14.681 9.282 ( -5.217 1.344 1.418) 5.571 10.107 ( 0.658 3.365 -0.548) 3.472 10.637 ( 7.011 1.800 -2.807) 7.764 12.122 ( -0.057 -6.743 1.047) 6.824 12.857 ( -2.273 6.953 -3.009) 7.910 13.287 ( -1.085 10.391 2.465) 10.735 13.756 ( -4.039 -9.829 11.062) 15.339 14.192 ( 5.080 7.001 0.270) 8.654 14.683 ( -3.507 -6.836 -2.283) 8.015 15.260 ( -7.748 5.775 0.064) 9.664 16.326 ( 0.928 4.485 3.093) 5.526 16.944 ( 9.976 -3.167 -7.356) 12.793 17.683 ( -0.507 2.347 -1.638) 2.907 18.036 ( 6.388 -2.372 4.492) 8.162 18.258 ( -4.889 -5.703 -5.649) 9.399 ======================= Grid point 40 (33/226) ======================= q-point: (-0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.047 ( -12.530 -3.483 1.983) 13.156 3.223 ( -2.272 5.868 -1.138) 6.395 3.273 ( 4.400 20.784 4.602) 21.737 3.727 ( -15.901 -22.603 -1.670) 27.686 4.239 ( 16.640 7.565 2.897) 18.507 4.426 ( -0.697 -4.934 -2.413) 5.537 5.699 ( 16.215 -10.902 -5.032) 20.177 6.025 ( 11.406 -20.266 -1.078) 23.280 6.447 ( 3.571 3.864 -2.359) 5.766 6.921 ( -12.880 3.429 11.967) 17.912 7.144 ( -0.081 20.802 -12.433) 24.235 8.013 ( -4.942 3.460 2.002) 6.357 8.328 ( -1.493 0.450 0.557) 1.656 8.582 ( -6.349 -13.943 1.438) 15.388 8.928 ( 1.042 6.167 3.259) 7.053 9.245 ( 1.047 -0.525 -1.664) 2.035 10.128 ( -1.080 0.840 1.087) 1.748 10.712 ( 2.324 0.618 -1.470) 2.819 12.075 ( 1.002 -5.791 1.431) 6.049 12.836 ( -3.813 3.970 -2.508) 6.048 13.365 ( -1.787 9.249 -0.766) 9.451 13.658 ( -4.134 -7.733 7.328) 11.428 14.243 ( -6.292 0.401 -2.308) 6.714 14.614 ( 5.772 -2.836 0.108) 6.432 15.204 ( -6.338 5.834 0.087) 8.614 16.404 ( 3.603 -0.574 2.071) 4.196 17.073 ( 9.473 3.633 -4.875) 11.256 17.679 ( -1.198 0.935 0.407) 1.573 18.081 ( -6.074 -4.137 -3.620) 8.193 18.167 ( 7.924 -2.089 3.449) 8.891 ======================= Grid point 41 (34/226) ======================= q-point: (-0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.770 ( -21.128 3.942 -1.173) 21.525 3.075 ( -23.512 -15.642 -2.702) 28.369 3.250 ( 5.278 -0.582 -4.215) 6.779 3.705 ( 12.588 12.123 3.370) 17.798 4.446 ( 12.843 -6.013 0.388) 14.186 4.738 ( 20.624 13.764 8.133) 26.095 5.794 ( 11.508 -14.200 -8.590) 20.195 6.028 ( 8.592 -14.329 4.127) 17.210 6.435 ( -13.412 4.687 0.710) 14.225 6.815 ( -10.172 7.367 15.804) 20.187 7.250 ( 2.838 12.981 -13.744) 19.117 7.859 ( -6.853 5.518 -15.039) 17.424 8.285 ( -8.404 -3.359 0.560) 9.068 8.490 ( 5.139 -7.880 9.021) 13.034 9.012 ( -0.568 2.469 6.390) 6.874 9.299 ( 8.080 -1.178 -3.976) 9.082 10.086 ( -4.478 -2.532 1.741) 5.431 10.714 ( -1.762 0.122 0.043) 1.766 12.064 ( 1.813 -3.669 2.279) 4.684 12.806 ( -1.685 2.661 -1.513) 3.495 13.380 ( -3.630 5.127 -3.473) 7.178 13.571 ( -2.061 -4.720 1.873) 5.481 14.044 ( -13.322 0.181 -0.954) 13.358 14.737 ( 5.548 0.531 2.122) 5.964 15.167 ( -1.697 2.026 -0.396) 2.672 16.448 ( 5.741 -5.632 -3.008) 8.586 17.243 ( 5.558 9.619 -3.360) 11.606 17.676 ( -0.200 -0.951 3.568) 3.698 17.924 ( -6.151 -2.543 -2.966) 7.287 18.314 ( 8.689 -1.754 4.460) 9.923 ======================= Grid point 42 (35/226) ======================= q-point: (-0.18 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.418 ( -23.995 2.604 -4.761) 24.601 2.522 ( -25.678 -6.807 -0.794) 26.577 3.383 ( 12.836 -0.194 -3.192) 13.228 4.042 ( 10.932 10.351 2.204) 15.216 4.662 ( 19.320 -7.774 3.247) 21.077 5.257 ( 17.700 12.629 9.123) 23.580 5.548 ( -17.695 -11.974 -10.500) 23.806 6.106 ( 8.789 -8.014 7.231) 13.919 6.286 ( -2.947 1.667 4.275) 5.453 6.920 ( 2.438 7.265 6.824) 10.261 7.298 ( 0.460 2.314 -5.362) 5.858 7.791 ( 0.097 11.287 -16.692) 20.150 8.108 ( -8.430 -5.018 4.163) 10.657 8.554 ( 3.058 -2.361 3.733) 5.372 9.029 ( -1.846 -1.167 4.290) 4.814 9.412 ( 9.363 -1.629 -4.104) 10.352 9.950 ( -8.367 -5.261 1.329) 9.973 10.660 ( -5.086 -0.065 0.903) 5.166 12.095 ( 2.313 -0.572 3.775) 4.464 12.792 ( -2.445 1.483 -3.382) 4.429 13.299 ( -5.843 -0.233 -3.505) 6.817 13.548 ( 2.918 -0.701 -0.241) 3.010 13.854 ( -12.626 4.781 2.460) 13.723 14.771 ( -2.719 -0.319 1.750) 3.249 15.205 ( 5.742 -1.212 -0.666) 5.906 16.457 ( 6.891 -7.157 -7.621) 12.522 17.368 ( 0.048 10.985 -4.753) 11.969 17.711 ( 2.947 -2.463 5.519) 6.723 17.798 ( -6.158 -0.327 0.186) 6.170 18.462 ( 8.142 -2.236 3.826) 9.270 ======================= Grid point 43 (36/226) ======================= q-point: (-0.09 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( -23.587 -1.482 -0.656) 23.643 2.158 ( -25.293 14.716 0.813) 29.274 3.586 ( 13.253 -1.470 -3.099) 13.689 4.194 ( -11.159 10.197 3.055) 15.421 4.905 ( 13.344 -15.916 -2.108) 20.876 5.088 ( -7.133 0.590 4.056) 8.227 5.638 ( 17.333 -8.149 -2.588) 19.327 6.270 ( 11.972 0.208 0.627) 11.991 6.394 ( 7.723 4.076 7.450) 11.479 7.022 ( 1.196 3.315 -5.444) 6.485 7.286 ( -1.797 -1.403 11.148) 11.379 7.819 ( -4.095 9.809 -6.092) 12.251 8.002 ( 0.407 -3.461 3.084) 4.654 8.588 ( 0.155 2.131 -1.452) 2.583 8.989 ( -1.280 -3.531 -0.787) 3.837 9.503 ( 6.854 -4.790 -3.333) 9.001 9.757 ( -9.149 -2.154 0.091) 9.399 10.561 ( -7.364 0.466 0.317) 7.386 12.175 ( 2.365 2.366 5.573) 6.500 12.677 ( -6.473 -1.170 -7.701) 10.128 13.168 ( -7.455 0.491 -3.259) 8.151 13.628 ( -2.960 3.710 4.387) 6.463 13.776 ( 1.352 2.966 4.395) 5.472 14.707 ( -3.317 -1.588 0.360) 3.695 15.294 ( 6.532 -2.278 0.235) 6.922 16.465 ( 8.027 -4.498 -10.611) 14.045 17.401 ( -3.130 7.235 -3.892) 8.791 17.681 ( -4.708 0.916 -2.367) 5.349 17.811 ( 2.552 -1.232 8.780) 9.226 18.570 ( 6.076 -3.787 1.295) 7.275 ======================= Grid point 45 (37/226) ======================= q-point: ( 0.09 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( -7.564 19.058 15.100) 25.464 2.447 ( -10.706 22.604 2.850) 25.173 3.639 ( 9.610 -5.955 1.259) 11.376 4.026 ( -18.434 -1.615 1.573) 18.571 4.614 ( 11.061 -7.324 -10.759) 17.080 4.978 ( 4.372 -16.250 -6.166) 17.922 5.553 ( 2.759 1.315 3.601) 4.723 6.224 ( 0.814 -2.834 -6.469) 7.110 6.488 ( -0.052 -12.085 -8.065) 14.529 7.299 ( 6.678 2.333 8.507) 11.064 7.454 ( -4.922 -4.536 18.479) 19.654 7.939 ( 5.066 4.083 9.870) 11.822 8.162 ( 7.802 4.000 0.744) 8.799 8.433 ( -10.162 -5.815 -6.865) 13.573 8.796 ( 0.956 -0.719 -4.393) 4.553 9.440 ( 7.244 0.616 -3.776) 8.192 9.696 ( -4.586 6.261 -3.881) 8.677 10.524 ( -6.010 6.001 -1.524) 8.629 12.092 ( -4.985 -4.838 -3.355) 7.715 12.806 ( 5.383 6.352 7.089) 10.935 13.026 ( -3.627 7.182 -7.267) 10.842 13.632 ( -11.461 7.010 1.193) 13.487 14.042 ( 3.420 -7.534 13.265) 15.634 14.650 ( 0.726 0.045 -0.827) 1.102 15.365 ( 6.499 -2.306 5.173) 8.620 16.412 ( 10.314 1.449 -12.011) 15.898 17.420 ( -4.231 4.405 -2.121) 6.466 17.664 ( -2.610 1.790 -1.010) 3.322 17.879 ( -2.017 -3.957 5.632) 7.173 18.398 ( 1.211 -7.009 -6.147) 9.401 ======================= Grid point 46 (38/226) ======================= q-point: ( 0.18 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.372 ( -5.585 19.077 15.284) 25.074 2.536 ( -11.251 19.527 11.290) 25.206 3.743 ( 8.983 -7.851 3.659) 12.479 3.871 ( -6.908 16.407 0.418) 17.807 4.521 ( 0.493 -13.766 -14.519) 20.014 4.919 ( 9.830 -10.975 -8.970) 17.249 5.647 ( 8.724 -6.865 0.770) 11.128 6.141 ( -0.945 -4.550 -3.363) 5.737 6.309 ( 0.496 -15.997 -9.042) 18.382 7.228 ( -9.799 -17.114 19.879) 28.002 7.491 ( -2.071 5.071 1.408) 5.656 8.007 ( -11.199 -3.541 2.620) 12.034 8.193 ( -6.159 -0.735 -1.763) 6.448 8.501 ( 22.632 9.810 7.312) 25.728 8.852 ( 7.584 1.087 -3.352) 8.363 9.504 ( 2.286 -0.560 -4.649) 5.211 9.679 ( -4.176 11.319 -1.761) 12.192 10.469 ( -6.507 6.148 -2.836) 9.391 11.990 ( -0.858 -2.304 -1.941) 3.132 12.919 ( 1.906 3.913 3.104) 5.346 13.111 ( 0.867 9.820 -1.429) 9.962 13.558 ( -8.715 16.598 0.369) 18.751 14.048 ( 1.397 -13.705 11.858) 18.177 14.662 ( 1.076 -1.023 -0.565) 1.588 15.473 ( 3.780 -1.696 8.382) 9.350 16.501 ( 8.331 -0.898 -13.088) 15.540 17.353 ( -6.958 2.503 -7.079) 10.237 17.619 ( -3.537 2.055 0.351) 4.105 17.838 ( -0.665 -5.424 5.172) 7.524 18.328 ( 2.714 -5.315 -5.247) 7.946 ======================= Grid point 47 (39/226) ======================= q-point: ( 0.27 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.487 ( -12.594 12.040 13.740) 22.189 2.616 ( -4.945 18.543 13.174) 23.277 3.785 ( 2.808 -11.077 3.989) 12.104 4.047 ( 1.077 12.921 -1.671) 13.073 4.410 ( 8.411 10.551 -13.200) 18.876 4.907 ( 7.281 -12.988 -8.545) 17.167 5.688 ( 11.634 -16.910 -5.261) 21.189 6.074 ( 3.008 -22.721 -1.766) 22.987 6.148 ( 0.221 2.952 -1.239) 3.209 6.938 ( -18.941 -16.093 13.488) 28.278 7.504 ( -0.116 0.818 0.379) 0.908 7.716 ( -13.606 -4.002 -3.426) 14.591 8.125 ( -4.332 0.892 2.425) 5.044 8.932 ( 10.119 -3.541 -4.736) 11.721 9.055 ( 16.871 12.157 9.347) 22.799 9.511 ( -0.665 5.566 1.303) 5.755 9.727 ( -0.977 8.060 -2.159) 8.401 10.389 ( -6.172 3.993 -4.158) 8.446 11.996 ( 3.553 0.099 -0.956) 3.681 12.993 ( -0.876 -3.158 1.554) 3.627 13.131 ( -5.649 15.726 0.792) 16.728 13.717 ( 2.723 21.803 0.333) 21.974 13.995 ( 0.242 -13.424 10.319) 16.934 14.659 ( 1.157 -2.204 -0.246) 2.501 15.551 ( 0.788 -2.117 10.714) 10.949 16.502 ( 3.013 -1.671 -13.457) 13.891 17.126 ( -11.627 -4.302 -9.188) 15.431 17.616 ( -1.250 5.215 -1.372) 5.536 17.823 ( 1.223 -5.501 5.006) 7.537 18.331 ( 5.626 -4.256 -3.559) 7.901 ======================= Grid point 48 (40/226) ======================= q-point: ( 0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.482 ( -6.792 9.363 11.731) 16.475 2.820 ( -0.680 18.378 8.300) 20.177 3.676 ( -4.987 -8.900 4.036) 10.971 4.052 ( -1.008 0.673 -4.625) 4.781 4.733 ( 6.941 -6.953 -7.538) 12.383 4.851 ( 7.882 16.265 -8.988) 20.186 5.672 ( 12.334 -17.065 -12.040) 24.255 5.943 ( 8.746 -20.740 8.388) 24.021 6.224 ( 1.870 -3.134 -0.209) 3.656 6.478 ( -23.768 -7.803 6.076) 25.743 7.402 ( -9.598 -4.624 0.998) 10.700 7.604 ( 0.731 3.591 0.139) 3.667 8.113 ( 0.693 0.939 2.713) 2.953 8.931 ( 2.351 -6.719 -5.972) 9.292 9.424 ( 5.256 8.855 6.255) 12.048 9.594 ( -4.083 9.153 6.297) 11.836 9.800 ( 7.519 3.921 -1.709) 8.650 10.312 ( -2.214 2.056 -5.809) 6.548 12.075 ( 5.017 0.281 -0.177) 5.028 12.870 ( -5.391 -1.174 -4.580) 7.171 13.273 ( -2.277 15.114 8.727) 17.600 13.927 ( -0.503 -8.865 8.252) 12.122 13.970 ( 2.530 15.849 -0.718) 16.066 14.675 ( 3.197 -1.375 0.487) 3.514 15.575 ( -3.005 -3.245 10.658) 11.539 16.424 ( -2.137 2.264 -13.478) 13.833 16.857 ( -6.581 -7.834 -6.249) 11.989 17.644 ( -0.010 5.123 -2.947) 5.910 17.828 ( 2.347 -5.240 4.242) 7.139 18.357 ( 4.527 -4.729 -3.643) 7.491 ======================= Grid point 49 (41/226) ======================= q-point: ( 0.45 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.614 ( 4.792 10.075 7.138) 13.245 3.026 ( 2.361 12.811 5.181) 14.019 3.564 ( -6.005 -0.466 5.353) 8.058 3.999 ( -6.322 4.694 -1.143) 7.957 4.505 ( -3.488 -21.443 -5.662) 22.451 5.117 ( 8.068 10.710 -12.995) 18.673 5.601 ( -1.587 -20.990 2.514) 21.199 5.751 ( -16.950 -15.783 -11.772) 25.980 6.125 ( 14.462 -4.220 2.644) 15.295 6.520 ( 9.208 11.763 6.848) 16.433 7.242 ( -8.079 -0.695 4.759) 9.402 7.677 ( 4.072 0.932 2.064) 4.660 8.203 ( 6.362 1.838 2.350) 7.027 8.847 ( -0.531 -6.980 -3.655) 7.897 9.472 ( -9.486 5.793 1.993) 11.292 9.555 ( -9.997 4.122 2.957) 11.210 9.992 ( 7.629 2.423 -0.614) 8.028 10.329 ( 7.314 1.388 -4.630) 8.767 12.122 ( 1.321 -2.805 0.196) 3.107 12.815 ( 1.593 3.211 -4.866) 6.044 13.405 ( -4.594 12.232 9.713) 16.281 13.865 ( -2.228 -8.707 9.012) 12.728 14.109 ( 0.297 10.835 -3.731) 11.464 14.722 ( 2.217 -2.369 0.700) 3.319 15.518 ( -6.592 0.012 4.780) 8.143 16.361 ( -2.345 5.746 -5.441) 8.254 16.711 ( 2.109 -7.630 -4.763) 9.239 17.674 ( 0.565 3.770 -3.034) 4.872 17.857 ( 4.010 -4.346 3.605) 6.926 18.331 ( 0.789 -5.117 -4.367) 6.773 ======================= Grid point 50 (42/226) ======================= q-point: ( 0.55 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.895 ( 12.311 9.504 4.368) 16.154 3.176 ( 1.812 3.981 2.819) 5.203 3.518 ( -6.563 6.603 2.387) 9.610 3.947 ( -6.997 6.569 4.686) 10.680 4.217 ( -4.934 -13.090 -6.601) 15.468 4.984 ( -29.703 -17.290 -2.406) 34.453 5.229 ( 10.291 -5.013 -8.450) 14.228 5.651 ( 10.360 -13.809 -2.793) 17.487 6.294 ( 6.545 2.517 -0.694) 7.047 6.882 ( 11.751 15.589 -4.538) 20.042 7.197 ( -2.790 3.255 9.447) 10.374 7.798 ( 8.244 -0.864 7.391) 11.106 8.350 ( 7.021 0.989 0.266) 7.096 8.747 ( -2.268 -7.066 0.469) 7.436 9.265 ( -19.042 4.236 -4.650) 20.054 9.423 ( -9.629 0.378 1.769) 9.798 10.069 ( 3.774 -1.126 -1.682) 4.282 10.488 ( 10.339 1.075 -1.787) 10.547 12.078 ( -1.121 -4.923 -0.114) 5.051 12.888 ( 3.107 5.710 -4.316) 7.802 13.467 ( -5.304 6.835 8.805) 12.344 13.793 ( -3.522 -6.179 6.271) 9.482 14.190 ( 2.713 7.346 -2.671) 8.274 14.656 ( -3.497 -8.281 -1.706) 9.150 15.455 ( -7.049 7.475 0.158) 10.275 16.362 ( -1.030 -0.427 2.015) 2.302 16.746 ( 8.923 1.229 -2.461) 9.337 17.694 ( 0.289 2.206 -2.222) 3.144 17.924 ( 6.129 -3.343 3.023) 7.608 18.239 ( -2.798 -4.633 -4.580) 7.090 ======================= Grid point 51 (43/226) ======================= q-point: (-0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.097 ( -0.367 -4.147 0.808) 4.241 3.268 ( 6.890 7.747 3.648) 10.990 3.486 ( -6.646 10.422 -4.289) 13.083 3.793 ( -13.451 -15.584 0.498) 20.592 4.183 ( 3.064 13.977 1.107) 14.352 4.437 ( -12.346 -10.851 -1.245) 16.484 5.329 ( 12.362 -4.271 -6.099) 14.431 5.704 ( 10.163 -13.612 7.008) 18.376 6.409 ( 4.841 3.947 -1.764) 6.490 7.055 ( 1.378 10.778 -5.944) 12.386 7.311 ( 0.156 11.103 2.092) 11.299 8.029 ( 10.858 0.418 10.983) 15.450 8.379 ( -4.069 -1.633 -2.877) 5.244 8.601 ( -8.876 -10.742 1.837) 14.055 9.001 ( -7.137 4.710 -7.580) 11.427 9.285 ( -7.228 -1.257 1.570) 7.503 10.099 ( 2.825 -3.253 -0.251) 4.315 10.629 ( 6.848 -0.378 -0.307) 6.865 12.022 ( 0.124 -4.057 -0.019) 4.059 12.914 ( -2.846 3.865 -3.744) 6.087 13.475 ( -3.185 -0.914 7.303) 8.020 13.712 ( -4.602 0.039 -0.013) 4.602 14.312 ( 2.653 6.915 -0.205) 7.409 14.489 ( -1.093 -9.221 -3.347) 9.870 15.404 ( -8.659 7.724 -0.213) 11.605 16.332 ( 0.962 -6.478 0.674) 6.583 16.968 ( 10.223 9.144 2.645) 13.969 17.698 ( -0.351 0.654 -1.193) 1.406 18.026 ( 7.530 -3.309 1.757) 8.410 18.113 ( -4.361 -2.663 -2.859) 5.856 ======================= Grid point 52 (44/226) ======================= q-point: (-0.27 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.032 ( -2.845 -0.458 1.043) 3.064 3.255 ( -16.295 -12.236 -2.428) 20.522 3.260 ( -17.458 -2.832 -4.209) 18.180 3.669 ( 10.968 10.437 0.578) 15.151 4.245 ( 2.746 -1.312 -1.944) 3.611 4.577 ( 16.617 9.808 2.857) 19.506 5.485 ( 11.161 0.552 -1.111) 11.230 5.807 ( 9.473 -11.276 12.414) 19.261 6.500 ( 3.279 2.236 -2.317) 4.595 7.150 ( -0.302 10.099 2.526) 10.415 7.360 ( -9.259 12.034 -2.233) 15.346 7.970 ( -17.121 -1.619 -12.800) 21.438 8.352 ( 4.418 -0.875 3.052) 5.441 8.397 ( -2.439 -8.452 6.088) 10.698 9.021 ( 6.439 1.353 -5.280) 8.436 9.193 ( -3.257 -2.069 2.564) 4.633 10.083 ( 0.068 -6.003 0.373) 6.015 10.703 ( 2.836 -1.298 1.292) 3.376 12.014 ( 2.099 -1.838 0.736) 2.885 12.861 ( -3.406 1.798 -1.578) 4.162 13.411 ( -3.147 -7.939 2.449) 8.885 13.646 ( -5.443 6.002 -4.282) 9.164 14.252 ( -10.000 2.972 -0.638) 10.452 14.571 ( 12.725 -1.676 -0.495) 12.844 15.303 ( -9.739 3.511 -0.036) 10.352 16.291 ( 2.748 -7.742 -1.641) 8.377 17.241 ( 7.523 11.571 3.245) 14.178 17.682 ( -0.508 -1.298 0.083) 1.396 17.978 ( -4.436 -1.845 -2.424) 5.381 18.172 ( 8.399 -1.860 3.252) 9.196 ======================= Grid point 53 (45/226) ======================= q-point: (-0.18 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.680 ( -21.507 -14.420 -3.099) 26.078 2.943 ( -19.917 8.798 1.749) 21.844 3.190 ( 8.356 -0.666 -3.904) 9.247 3.969 ( 11.742 8.742 2.706) 14.887 4.328 ( 10.436 -2.800 -1.835) 10.960 4.929 ( 20.189 -2.665 -5.566) 21.111 5.690 ( 3.075 11.981 7.673) 14.557 5.942 ( 8.772 -7.687 11.974) 16.715 6.476 ( -7.218 -1.690 -1.061) 7.488 7.131 ( -19.274 4.065 7.453) 21.061 7.295 ( 2.228 7.334 -2.330) 8.012 7.749 ( 0.693 5.634 -17.628) 18.519 8.241 ( -7.590 -4.286 5.207) 10.153 8.489 ( 4.934 0.283 0.833) 5.012 9.084 ( -1.010 -0.597 1.355) 1.792 9.187 ( 8.226 -4.332 -3.498) 9.933 9.987 ( -3.649 -7.905 0.158) 8.708 10.712 ( -1.109 -1.728 1.844) 2.760 12.066 ( 3.659 0.892 2.598) 4.575 12.828 ( -2.574 1.099 -2.029) 3.457 13.284 ( -1.285 -9.408 0.923) 9.540 13.598 ( -4.312 7.839 -5.287) 10.392 14.120 ( -11.180 5.361 1.113) 12.449 14.739 ( 7.801 -1.312 -0.262) 7.915 15.173 ( -5.541 -1.277 -0.415) 5.701 16.261 ( 3.984 -6.364 -3.820) 8.424 17.441 ( 2.016 11.162 -1.395) 11.428 17.670 ( 1.365 -3.381 2.197) 4.257 17.895 ( -4.380 0.709 1.935) 4.840 18.312 ( 8.759 -2.616 2.189) 9.400 ======================= Grid point 54 (46/226) ======================= q-point: (-0.09 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.265 ( -15.062 -4.368 -0.680) 15.698 2.691 ( -22.499 12.342 1.769) 25.722 3.354 ( 11.501 -0.097 -1.463) 11.594 4.227 ( 8.678 6.822 0.731) 11.063 4.483 ( 14.945 -10.573 -1.539) 18.372 5.079 ( 12.183 -11.758 -10.280) 19.808 5.742 ( -21.938 11.268 11.928) 27.395 6.103 ( 9.111 -0.771 3.858) 9.924 6.378 ( 3.548 1.962 6.695) 7.827 6.980 ( -1.000 -1.691 -7.825) 8.068 7.393 ( -1.402 2.748 14.066) 14.401 7.790 ( 5.431 9.045 -14.303) 17.774 8.109 ( -7.866 -4.983 9.055) 12.988 8.573 ( 3.397 5.398 -4.856) 8.017 9.005 ( -5.147 -4.224 0.932) 6.723 9.287 ( 10.285 -4.904 -5.139) 12.500 9.836 ( -5.472 -5.502 -0.482) 7.775 10.662 ( -4.217 -0.835 1.005) 4.414 12.180 ( 4.239 3.191 5.006) 7.295 12.712 ( -6.092 -2.935 -7.028) 9.754 13.231 ( -1.460 -2.680 1.372) 3.346 13.630 ( 2.967 5.962 0.455) 6.675 13.990 ( -11.781 5.560 2.187) 13.209 14.754 ( -3.104 -1.870 -0.347) 3.641 15.152 ( 5.848 -3.432 -0.224) 6.785 16.261 ( 5.435 -3.208 -6.329) 8.938 17.498 ( -2.951 7.245 -3.918) 8.749 17.681 ( 1.649 -2.371 0.022) 2.889 17.879 ( -2.825 2.001 7.280) 8.061 18.421 ( 7.210 -4.220 -0.230) 8.357 ======================= Grid point 56 (47/226) ======================= q-point: ( 0.09 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.466 ( 7.005 17.036 4.858) 19.050 2.793 ( -12.333 11.163 3.274) 16.954 3.465 ( 9.818 -4.517 2.202) 11.029 4.034 ( -5.016 -17.658 -0.403) 18.361 4.467 ( 1.195 4.305 -2.899) 5.326 4.705 ( 4.343 -16.570 -5.743) 18.067 5.772 ( -13.798 11.455 -5.180) 18.666 6.209 ( -0.504 3.676 4.113) 5.539 6.338 ( -4.736 -15.692 -11.228) 19.868 7.198 ( 16.371 4.860 10.223) 19.903 7.571 ( -2.110 -8.558 20.767) 22.560 7.818 ( 7.919 0.311 -10.426) 13.096 8.171 ( 1.098 4.547 4.670) 6.610 8.510 ( -7.498 -3.927 -4.457) 9.566 8.810 ( -5.898 -0.185 0.812) 5.957 9.279 ( 9.213 0.718 -4.657) 10.348 9.790 ( -1.062 7.055 -1.945) 7.395 10.641 ( -3.311 4.074 -1.498) 5.459 12.119 ( -6.039 -4.561 -3.467) 8.324 12.790 ( 7.278 4.307 7.252) 11.140 13.114 ( -4.900 5.991 -8.606) 11.575 13.746 ( 1.447 -4.815 6.830) 8.482 14.128 ( -5.145 4.506 7.867) 10.424 14.639 ( -1.949 -1.390 -1.884) 3.046 15.242 ( 9.633 -1.095 4.944) 10.883 16.224 ( 5.791 1.483 -8.564) 10.444 17.518 ( -4.159 4.448 -2.895) 6.742 17.661 ( 1.350 -4.043 2.666) 5.028 17.952 ( -4.599 0.380 1.752) 4.936 18.282 ( 0.816 -5.048 -4.835) 7.037 ======================= Grid point 57 (48/226) ======================= q-point: ( 0.18 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.702 ( -5.302 14.257 11.526) 19.085 2.873 ( 0.554 19.801 2.145) 19.925 3.572 ( 5.751 -5.040 5.434) 9.381 3.851 ( 5.792 -15.087 1.457) 16.226 4.425 ( -5.276 -0.171 -9.154) 10.566 4.612 ( 7.947 -12.257 -6.507) 15.992 5.645 ( -7.986 5.160 -7.926) 12.378 6.028 ( -2.396 -20.096 -9.776) 22.476 6.241 ( -3.589 5.200 2.430) 6.769 7.290 ( -3.702 -14.362 15.809) 21.677 7.577 ( -4.012 -1.810 4.868) 6.563 8.108 ( 13.461 4.082 0.586) 14.079 8.243 ( 2.750 2.730 1.565) 4.179 8.311 ( -3.683 1.719 -0.412) 4.085 8.779 ( 1.235 1.876 0.760) 2.371 9.387 ( 6.933 -0.685 -4.269) 8.171 9.833 ( -2.685 10.167 -1.851) 10.677 10.601 ( -5.285 4.336 -2.956) 7.448 11.992 ( -3.110 -2.206 -1.474) 4.088 12.910 ( 2.767 -0.013 2.824) 3.954 13.172 ( 3.030 12.294 -2.246) 12.859 13.775 ( 0.528 2.301 3.854) 4.520 14.074 ( -9.045 -1.094 9.959) 13.498 14.609 ( 1.772 -3.153 -2.397) 4.339 15.422 ( 7.503 -1.204 9.400) 12.087 16.287 ( 7.298 1.321 -12.131) 14.219 17.440 ( -6.627 1.205 -7.930) 10.404 17.647 ( 0.122 -4.298 5.140) 6.702 17.889 ( -4.622 1.139 1.466) 4.981 18.215 ( 1.145 -4.769 -4.601) 6.725 ======================= Grid point 58 (49/226) ======================= q-point: ( 0.27 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.818 ( -4.765 12.045 7.738) 15.088 2.955 ( -10.962 10.803 10.347) 18.545 3.660 ( 6.219 -5.147 6.442) 10.328 3.928 ( 9.284 -8.882 -1.491) 12.935 4.373 ( 6.309 12.672 -7.596) 16.065 4.612 ( 9.387 -8.572 -9.991) 16.168 5.482 ( -4.722 -7.157 -7.861) 11.633 5.785 ( 2.315 -18.737 -8.509) 20.708 6.238 ( -4.680 5.127 4.208) 8.118 7.128 ( -10.518 -16.671 18.442) 26.994 7.498 ( -2.225 -2.455 -3.378) 4.732 7.914 ( -15.721 0.261 -5.552) 16.675 8.240 ( -5.152 1.984 2.464) 6.046 8.691 ( 16.520 2.740 -2.496) 16.931 8.935 ( 13.918 7.418 8.464) 17.899 9.470 ( 6.735 -0.091 -0.974) 6.806 9.862 ( -4.172 9.322 -1.592) 10.336 10.508 ( -7.213 2.320 -3.657) 8.414 11.960 ( 0.736 0.541 -0.336) 0.973 12.974 ( 1.967 -2.676 4.260) 5.401 13.306 ( 0.298 14.584 -3.992) 15.124 13.869 ( 4.089 2.112 3.863) 6.008 13.986 ( -7.224 4.043 7.965) 11.488 14.592 ( 2.369 -4.914 -1.518) 5.663 15.563 ( 3.836 -2.901 12.236) 13.147 16.334 ( 5.968 1.220 -13.202) 14.539 17.206 ( -10.947 -6.389 -10.362) 16.371 17.660 ( 0.127 0.366 2.861) 2.887 17.839 ( -3.851 0.683 2.062) 4.421 18.197 ( 3.943 -3.425 -2.467) 5.776 ======================= Grid point 59 (50/226) ======================= q-point: ( 0.36 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.753 ( -12.049 3.195 6.379) 14.003 3.029 ( -1.953 11.127 6.715) 13.142 3.682 ( -0.942 -5.904 5.170) 7.903 3.977 ( 6.721 -0.486 -0.905) 6.799 4.508 ( 3.921 -11.573 -4.312) 12.958 4.853 ( 16.826 28.345 -13.290) 35.541 5.305 ( 3.304 -13.905 -7.107) 15.961 5.647 ( 6.014 -18.169 1.214) 19.177 6.229 ( -3.470 -0.360 2.858) 4.510 6.822 ( -20.485 -10.609 11.554) 25.801 7.433 ( -0.232 -3.474 -3.553) 4.974 7.686 ( -8.720 2.617 -3.693) 9.825 8.183 ( -4.959 1.412 3.666) 6.327 8.786 ( 4.124 -3.325 -5.676) 7.764 9.366 ( 15.727 8.499 7.117) 19.242 9.623 ( 10.051 1.580 4.212) 11.011 9.846 ( -6.054 6.771 -1.475) 9.201 10.373 ( -7.321 0.167 -4.292) 8.488 12.013 ( 3.599 2.032 0.029) 4.133 12.914 ( -5.225 -4.903 0.428) 7.178 13.461 ( 1.735 15.601 0.288) 15.700 13.887 ( 0.878 -9.797 8.697) 13.129 14.085 ( 0.320 15.793 -2.130) 15.940 14.596 ( 3.964 -3.253 0.738) 5.181 15.631 ( 0.167 -5.292 12.032) 13.146 16.356 ( 3.328 3.745 -11.887) 12.900 16.885 ( -10.702 -8.952 -8.448) 16.310 17.677 ( -0.443 2.173 -0.350) 2.245 17.803 ( -1.645 -1.214 2.401) 3.154 18.232 ( 4.343 -2.509 -1.310) 5.184 ======================= Grid point 60 (51/226) ======================= q-point: ( 0.45 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.676 ( -2.206 2.312 3.084) 4.441 3.121 ( -0.178 6.127 2.655) 6.680 3.650 ( -1.814 -0.897 3.991) 4.475 4.099 ( 2.875 6.816 2.402) 7.778 4.357 ( -2.762 -14.049 -5.534) 15.350 5.077 ( -0.938 6.953 -9.017) 11.425 5.339 ( 8.444 -2.179 -7.504) 11.505 5.787 ( 21.534 -4.500 10.147) 24.226 5.988 ( -20.502 -12.499 -3.579) 24.277 6.585 ( -4.347 3.367 4.913) 7.374 7.367 ( -3.845 -0.781 0.942) 4.034 7.632 ( 0.904 0.602 -1.243) 1.650 8.173 ( 0.339 1.459 1.987) 2.488 8.762 ( 1.047 -3.841 -3.059) 5.021 9.597 ( 1.640 3.161 3.065) 4.699 9.772 ( -7.342 3.717 -1.227) 8.320 9.861 ( 9.634 2.011 4.272) 10.728 10.251 ( -1.690 -0.778 -4.343) 4.725 12.083 ( 2.083 0.357 0.095) 2.115 12.802 ( -1.952 -1.189 -1.647) 2.817 13.611 ( -0.972 9.722 3.667) 10.435 13.861 ( -0.310 -6.122 6.066) 8.624 14.171 ( -0.312 6.931 -4.498) 8.268 14.663 ( 3.341 -0.745 1.462) 3.722 15.617 ( -2.549 -2.655 5.479) 6.600 16.392 ( 1.582 6.282 -5.671) 8.610 16.631 ( -4.318 -8.011 -3.371) 9.705 17.686 ( -0.172 2.135 -1.622) 2.687 17.795 ( 1.037 -2.188 2.130) 3.225 18.254 ( 1.680 -2.154 -1.548) 3.140 ======================= Grid point 61 (52/226) ======================= q-point: (-0.45 -0.55 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.779 ( 9.605 3.293 0.485) 10.165 3.174 ( 1.685 -0.015 0.175) 1.694 3.640 ( -2.295 2.850 0.456) 3.688 4.111 ( -8.053 -10.782 -4.295) 14.126 4.221 ( -1.016 11.970 3.377) 12.479 5.086 ( 1.756 3.489 -2.776) 4.792 5.245 ( -17.359 -26.747 11.064) 33.752 5.493 ( -8.127 4.982 -11.282) 14.770 6.169 ( 12.621 5.386 -0.136) 13.723 6.753 ( 14.435 8.239 -2.215) 16.768 7.326 ( -3.700 2.221 5.450) 6.952 7.689 ( 6.373 -1.665 2.348) 6.993 8.238 ( 5.734 0.368 -1.749) 6.006 8.725 ( -0.993 -2.804 1.587) 3.372 9.521 ( -11.551 -1.692 -1.986) 11.842 9.637 ( -12.844 3.106 -0.736) 13.235 9.959 ( 5.147 -4.161 -1.614) 6.813 10.324 ( 9.334 1.192 0.751) 9.439 12.065 ( -2.023 -2.978 -0.282) 3.611 12.840 ( 5.047 4.020 -1.978) 6.749 13.631 ( -4.591 -2.412 6.297) 8.157 13.831 ( -2.052 0.807 -0.479) 2.257 14.196 ( 1.126 2.155 -1.304) 2.759 14.634 ( -3.403 -5.308 -1.234) 6.425 15.600 ( -2.621 6.542 -3.067) 7.686 16.380 ( -3.018 -5.649 3.278) 7.195 16.647 ( 7.583 6.412 1.888) 10.109 17.693 ( 0.247 1.241 -1.756) 2.165 17.823 ( 3.768 -2.376 1.425) 4.677 18.224 ( -1.827 -1.586 -1.911) 3.083 ======================= Grid point 63 (53/226) ======================= q-point: (-0.36 -0.55 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.995 ( 10.541 -1.327 -0.872) 10.660 3.175 ( 4.355 -2.719 -4.267) 6.676 3.633 ( -3.834 6.364 -3.734) 8.315 3.870 ( -8.989 -6.365 -0.806) 11.044 4.333 ( -1.855 12.687 2.178) 13.005 4.628 ( -25.298 -17.712 3.395) 31.068 5.204 ( 4.840 8.748 2.729) 10.363 5.531 ( 5.197 -1.745 6.688) 8.647 6.329 ( 6.165 1.463 -2.896) 6.967 7.038 ( 9.468 13.165 -12.755) 20.632 7.373 ( 1.705 4.211 5.876) 7.427 7.863 ( 13.371 -1.818 7.833) 15.603 8.317 ( 5.508 -1.751 -3.651) 6.837 8.677 ( -5.486 -3.434 5.055) 8.212 9.184 ( -18.812 -4.119 -9.746) 21.583 9.451 ( -10.846 1.171 0.636) 10.927 9.992 ( 4.687 -5.630 0.254) 7.330 10.495 ( 8.853 -0.237 1.700) 9.018 11.997 ( -1.482 -3.056 -0.382) 3.418 12.943 ( 1.870 5.035 -3.811) 6.586 13.517 ( -4.113 -12.622 8.326) 15.670 13.808 ( -3.660 7.759 -5.794) 10.352 14.232 ( 5.402 -5.868 -0.313) 7.982 14.502 ( -5.742 0.063 -1.975) 6.073 15.584 ( -5.200 8.055 -6.813) 11.762 16.294 ( -2.717 -7.267 6.236) 9.954 16.922 ( 10.784 10.429 7.258) 16.666 17.693 ( 0.052 0.314 -2.139) 2.163 17.888 ( 6.041 -2.907 0.673) 6.738 18.153 ( -3.953 -0.186 -1.229) 4.144 ======================= Grid point 64 (54/226) ======================= q-point: (-0.27 -0.55 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.981 ( 1.063 -6.268 -4.250) 7.647 3.257 ( 3.309 -13.606 -2.852) 14.290 3.552 ( -8.283 5.515 -5.965) 11.602 3.638 ( -11.956 4.467 -0.941) 12.797 4.309 ( -5.142 1.385 5.957) 7.990 4.447 ( 4.923 4.512 -1.323) 6.808 5.447 ( 6.976 14.629 7.740) 17.961 5.665 ( 6.642 -4.120 14.213) 16.220 6.400 ( 5.810 -2.488 -4.431) 7.719 7.186 ( 3.892 14.193 -12.636) 19.397 7.496 ( 3.055 6.625 1.689) 7.488 8.122 ( 7.758 -0.966 4.607) 9.074 8.302 ( -5.624 -2.239 -2.169) 6.430 8.437 ( -12.949 -8.655 1.227) 15.624 8.896 ( -1.697 -3.104 -8.850) 9.530 9.321 ( -7.784 1.309 3.307) 8.558 9.994 ( 2.680 -7.822 0.817) 8.309 10.622 ( 6.122 -1.933 2.642) 6.942 11.973 ( 1.315 -0.938 0.017) 1.616 12.926 ( -3.796 1.849 -3.176) 5.283 13.381 ( -2.858 -12.933 4.493) 13.986 13.772 ( -5.337 7.599 -6.469) 11.317 14.258 ( 8.696 -9.041 -4.931) 13.478 14.473 ( -2.341 7.219 2.572) 8.014 15.487 ( -8.699 4.152 -6.786) 11.788 16.229 ( -2.319 -5.835 6.638) 9.137 17.240 ( 9.332 9.819 8.025) 15.745 17.672 ( -0.561 -0.264 -3.265) 3.323 17.951 ( 4.244 -3.727 -0.683) 5.689 18.112 ( -0.701 1.968 1.859) 2.797 ======================= Grid point 65 (55/226) ======================= q-point: (-0.18 -0.55 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.856 ( -18.791 -19.275 -2.256) 27.013 2.984 ( 8.161 -4.205 -3.740) 9.914 3.357 ( -16.900 8.798 -1.717) 19.130 3.797 ( 13.775 6.971 -0.681) 15.453 4.354 ( -3.968 12.150 1.917) 12.925 4.582 ( 12.445 -4.837 -2.695) 13.621 5.771 ( 10.286 5.550 11.330) 16.279 5.850 ( 5.487 7.555 15.441) 18.045 6.414 ( 4.323 -6.284 -6.090) 9.760 7.290 ( 0.470 9.328 -11.689) 14.962 7.598 ( -5.398 6.877 9.853) 13.172 7.739 ( -20.972 -2.294 -14.276) 25.473 8.298 ( -2.078 -5.307 0.338) 5.709 8.412 ( 6.964 1.057 3.499) 7.865 8.891 ( 8.863 -3.408 -6.639) 11.586 9.236 ( -7.026 -0.118 4.511) 8.351 9.937 ( -0.191 -9.144 0.836) 9.184 10.687 ( 2.749 -3.158 2.649) 4.954 12.026 ( 4.050 1.765 1.567) 4.688 12.872 ( -2.838 1.016 -2.038) 3.639 13.224 ( -2.638 -11.811 2.499) 12.357 13.714 ( -4.778 7.386 -7.342) 11.458 14.263 ( -0.041 -1.130 -3.897) 4.058 14.574 ( 6.832 1.880 1.817) 7.315 15.306 ( -10.673 0.058 -4.949) 11.765 16.186 ( -1.270 -4.109 4.780) 6.430 17.481 ( 5.179 6.033 5.099) 9.445 17.639 ( -0.546 0.290 -3.925) 3.973 17.955 ( 0.001 -0.702 1.667) 1.809 18.186 ( 4.980 0.581 2.352) 5.538 ======================= Grid point 66 (56/226) ======================= q-point: (-0.09 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.417 ( -13.364 -10.097 -1.061) 16.783 3.094 ( 3.398 -1.523 -3.769) 5.298 3.176 ( -8.004 7.195 2.063) 10.959 4.085 ( 12.863 2.811 2.386) 13.381 4.395 ( -4.110 9.773 -1.527) 10.711 4.709 ( 12.155 -7.790 -4.016) 14.985 5.974 ( 8.475 -4.637 11.743) 15.206 6.168 ( -0.838 18.035 9.163) 20.247 6.341 ( 2.193 -6.428 -2.778) 7.338 7.014 ( -16.731 -6.428 -11.014) 21.037 7.543 ( -2.815 6.130 6.697) 9.505 7.719 ( 3.454 7.434 -7.396) 11.040 8.194 ( -3.996 -5.924 2.628) 7.614 8.542 ( 4.221 6.152 -1.874) 7.692 8.992 ( 8.688 -4.068 -4.344) 10.531 9.130 ( -5.489 -2.292 2.561) 6.476 9.840 ( -2.177 -6.665 0.463) 7.026 10.690 ( -0.232 -2.469 1.388) 2.842 12.156 ( 5.826 3.944 4.041) 8.113 12.748 ( -7.252 -3.751 -6.944) 10.718 13.193 ( 4.020 -4.829 7.486) 9.774 13.681 ( -2.453 7.814 -6.685) 10.572 14.187 ( -6.013 0.278 -1.119) 6.123 14.708 ( 6.383 -0.768 -0.195) 6.432 15.118 ( -6.530 -1.843 -2.162) 7.121 16.167 ( 0.547 -2.062 1.130) 2.414 17.578 ( -0.356 3.651 -0.402) 3.690 17.622 ( 1.162 -1.031 -1.267) 2.005 17.977 ( -0.886 2.084 4.416) 4.962 18.279 ( 5.149 -1.496 0.278) 5.369 ======================= Grid point 135 (57/226) ======================= q-point: ( 0.09 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.597 ( -0.000 0.000 33.219) 33.219 0.597 ( -0.000 0.000 33.219) 33.219 1.029 ( -0.000 0.000 56.197) 56.197 4.532 ( 0.000 -0.000 -2.310) 2.310 5.927 ( 0.000 0.000 -18.201) 18.201 5.927 ( 0.000 0.000 -18.201) 18.201 6.396 ( 0.000 -0.000 -11.338) 11.338 6.867 ( -0.000 0.000 4.167) 4.167 6.867 ( -0.000 -0.000 4.167) 4.167 7.136 ( -0.000 0.000 12.741) 12.741 7.136 ( -0.000 0.000 12.741) 12.741 8.460 ( 0.000 -0.000 -3.664) 3.664 8.471 ( 0.000 0.000 -1.916) 1.916 8.471 ( 0.000 -0.000 -1.916) 1.916 8.816 ( -0.000 0.000 0.299) 0.299 8.816 ( -0.000 0.000 0.299) 0.299 9.446 ( -0.000 0.000 8.763) 8.763 9.721 ( 0.000 -0.000 -5.144) 5.144 12.169 ( -0.000 0.000 0.416) 0.416 12.169 ( -0.000 0.000 0.416) 0.416 12.818 ( 0.000 0.000 -1.680) 1.680 12.818 ( 0.000 -0.000 -1.680) 1.680 14.740 ( -0.000 0.000 0.729) 0.729 14.740 ( -0.000 0.000 0.729) 0.729 15.446 ( -0.000 0.000 0.835) 0.835 16.719 ( 0.000 -0.000 -0.793) 0.793 17.194 ( 0.000 0.000 -0.090) 0.090 17.194 ( 0.000 0.000 -0.090) 0.090 18.013 ( -0.000 0.000 2.023) 2.023 18.674 ( 0.000 -0.000 -1.338) 1.338 ======================= Grid point 136 (58/226) ======================= q-point: ( 0.18 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( 24.952 -4.769 21.158) 33.061 1.105 ( 14.858 5.600 32.036) 35.755 1.846 ( 35.168 31.179 35.979) 59.189 4.431 ( -7.626 -4.472 -3.210) 9.405 5.497 ( -12.734 -14.156 -19.851) 27.507 5.869 ( -11.814 10.626 -14.060) 21.217 6.312 ( -2.873 -4.214 -13.795) 14.708 6.688 ( -14.841 -5.589 0.937) 15.886 6.915 ( 0.535 -9.249 10.634) 14.104 6.989 ( -5.547 -2.514 3.205) 6.882 7.452 ( 4.329 9.835 20.980) 23.572 7.668 ( -10.590 -18.466 25.675) 33.352 8.340 ( -3.395 -9.151 -5.408) 11.158 8.490 ( -1.698 4.360 0.186) 4.683 8.882 ( 0.585 6.151 0.315) 6.187 9.313 ( 6.171 6.531 -6.854) 11.301 9.647 ( -0.399 1.135 -7.708) 7.802 9.881 ( 20.793 10.419 -8.166) 24.650 12.159 ( -1.660 4.312 -1.170) 4.767 12.294 ( 11.248 -1.564 2.815) 11.700 12.796 ( 0.746 1.340 -4.250) 4.519 13.063 ( 13.055 10.149 -8.322) 18.512 14.545 ( -11.564 -8.626 12.147) 18.860 14.721 ( -2.088 -0.715 0.635) 2.297 15.464 ( 0.504 0.216 1.887) 1.965 16.718 ( 0.103 -6.048 -11.593) 13.076 17.202 ( 1.659 0.492 -1.014) 2.005 17.310 ( 7.546 4.997 -1.547) 9.182 18.014 ( -1.390 -0.647 2.881) 3.263 18.666 ( -2.016 3.049 -3.158) 4.831 ======================= Grid point 137 (59/226) ======================= q-point: ( 0.27 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( 29.568 -2.772 13.316) 32.547 1.604 ( 17.664 7.453 24.884) 31.413 2.943 ( 37.058 31.764 20.348) 52.880 4.169 ( -13.308 -7.421 -3.766) 15.696 5.065 ( -11.341 -11.180 -16.160) 22.688 5.626 ( -19.326 8.244 -8.529) 22.675 6.035 ( -16.370 -8.407 -2.766) 18.609 6.393 ( -9.650 -3.215 -10.360) 14.518 6.798 ( -8.449 -4.710 5.553) 11.154 7.027 ( 9.832 -10.020 4.030) 14.605 7.587 ( -3.120 -0.256 18.602) 18.864 7.781 ( 9.338 -2.452 14.872) 17.731 8.165 ( -0.958 -10.470 -6.259) 12.236 8.512 ( -2.377 6.069 1.565) 6.703 8.895 ( -5.269 5.970 -1.551) 8.112 9.453 ( 4.694 7.606 0.089) 8.938 9.563 ( -1.731 -1.821 -9.710) 10.030 10.186 ( 12.618 6.997 -4.441) 15.096 12.170 ( -2.493 6.799 -1.648) 7.427 12.502 ( 13.801 -5.363 4.700) 15.534 12.819 ( 3.439 3.258 -6.833) 8.314 13.293 ( 8.215 10.790 -2.639) 13.815 14.377 ( -9.212 -8.387 13.713) 18.527 14.681 ( -1.889 -0.605 0.236) 1.998 15.475 ( -1.212 -1.144 3.750) 4.103 16.528 ( -3.386 -9.801 -12.885) 16.539 17.244 ( 4.173 0.309 -2.849) 5.062 17.457 ( 6.831 3.325 -2.198) 7.909 17.997 ( -2.330 -0.420 4.292) 4.901 18.617 ( -5.331 3.799 -4.316) 7.841 ======================= Grid point 138 (60/226) ======================= q-point: ( 0.36 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.914 ( 22.707 -1.850 10.148) 24.940 2.121 ( 20.480 8.525 15.988) 27.345 3.668 ( 4.294 0.230 1.333) 4.502 4.010 ( 8.849 14.440 2.273) 17.087 4.717 ( -11.737 -5.377 -10.857) 16.868 5.298 ( -20.898 1.174 -3.248) 21.181 5.683 ( -14.448 -3.912 2.860) 15.239 6.210 ( -2.834 -1.055 -10.299) 10.734 6.649 ( -7.954 -0.567 -0.234) 7.977 7.101 ( 9.030 -14.494 4.319) 17.614 7.655 ( 0.467 -0.740 14.517) 14.544 7.863 ( 3.439 -14.937 -3.153) 15.648 8.112 ( 0.203 2.604 6.491) 6.997 8.543 ( -2.445 6.314 2.855) 7.348 8.847 ( -5.150 6.579 -1.675) 8.521 9.415 ( -4.657 -3.206 -8.124) 9.898 9.612 ( 4.553 5.858 -1.317) 7.535 10.405 ( 9.222 5.541 -2.472) 11.040 12.186 ( -2.866 7.995 -1.566) 8.637 12.660 ( 9.164 -8.989 6.176) 14.245 12.890 ( 5.466 5.269 -8.623) 11.489 13.543 ( 9.773 11.538 1.359) 15.182 14.238 ( -8.150 -8.261 14.900) 18.886 14.658 ( -0.935 0.630 -0.023) 1.128 15.431 ( -4.461 -4.412 4.762) 7.877 16.304 ( -3.185 -8.146 -12.390) 15.167 17.309 ( 6.151 0.014 -4.771) 7.784 17.572 ( 5.822 1.634 -2.687) 6.617 17.990 ( -2.098 0.929 5.701) 6.145 18.512 ( -7.542 2.647 -5.242) 9.559 ======================= Grid point 139 (61/226) ======================= q-point: ( 0.45 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.220 ( 11.316 -3.758 5.292) 13.045 2.610 ( 18.358 9.430 10.518) 23.164 3.530 ( -5.874 -8.123 2.015) 10.225 4.276 ( 6.356 2.039 -5.419) 8.598 4.426 ( -17.160 2.884 -4.363) 17.939 4.970 ( -15.986 -1.088 -5.328) 16.886 5.649 ( 5.502 8.605 1.628) 10.343 6.165 ( 2.111 0.391 0.302) 2.168 6.536 ( -6.948 5.286 -3.651) 9.463 7.072 ( 2.673 -18.894 6.005) 20.005 7.668 ( -0.548 -17.325 -12.094) 21.136 7.775 ( 2.370 2.728 13.343) 13.823 8.154 ( -2.701 1.911 0.653) 3.372 8.610 ( 0.256 5.259 8.494) 9.993 8.862 ( -1.391 8.961 0.841) 9.107 9.237 ( -5.248 -6.165 -7.961) 11.354 9.713 ( 2.557 4.270 -0.469) 4.999 10.561 ( 5.775 3.932 -2.349) 7.370 12.209 ( -2.646 7.985 -1.621) 8.566 12.714 ( 3.947 -9.954 7.361) 12.994 12.981 ( 5.550 5.987 -9.947) 12.868 13.811 ( 6.158 8.640 4.073) 11.364 14.150 ( -2.957 -7.328 14.769) 16.750 14.661 ( -0.388 2.882 -0.616) 2.972 15.292 ( -7.107 -8.768 2.673) 11.599 16.154 ( -0.899 -2.487 -7.707) 8.148 17.389 ( 7.605 -0.185 -6.288) 9.870 17.637 ( 3.112 -0.705 -2.658) 4.153 18.022 ( -0.647 3.081 6.351) 7.088 18.366 ( -7.613 0.987 -5.826) 9.637 ======================= Grid point 140 (62/226) ======================= q-point: ( 0.55 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.307 ( 1.493 -2.534 3.374) 4.476 3.021 ( 13.925 9.357 6.327) 17.930 3.309 ( -12.565 -10.579 0.275) 16.428 4.205 ( -9.479 4.950 -0.860) 10.728 4.409 ( 12.470 -2.248 1.386) 12.747 4.683 ( -9.561 -1.691 -5.420) 11.120 5.851 ( 7.300 10.997 -10.571) 16.911 6.275 ( 2.803 0.885 8.255) 8.763 6.453 ( -10.145 10.399 -6.666) 15.984 6.928 ( -0.817 -19.278 10.875) 22.149 7.417 ( 0.935 -13.656 -19.221) 23.597 7.914 ( 0.006 4.613 11.657) 12.537 8.078 ( -2.201 -2.950 -7.905) 8.720 8.731 ( -1.001 5.119 14.369) 15.287 8.977 ( 2.021 8.052 3.829) 9.142 9.059 ( -1.384 -6.278 -6.107) 8.867 9.776 ( 1.102 2.576 0.566) 2.858 10.641 ( 2.363 1.765 -2.552) 3.900 12.227 ( -2.294 6.493 -2.308) 7.263 12.708 ( 1.165 -8.893 8.127) 12.104 13.067 ( 5.554 5.677 -10.719) 13.340 13.876 ( -7.102 -0.167 11.118) 13.194 14.180 ( 1.392 -3.829 5.751) 7.048 14.703 ( 1.797 3.855 -0.470) 4.279 15.103 ( -4.440 -7.992 -0.539) 9.158 16.144 ( 1.887 3.328 -0.147) 3.829 17.477 ( 8.417 -0.676 -7.497) 11.292 17.630 ( -0.437 -2.201 -1.344) 2.616 18.061 ( -4.733 2.738 3.171) 6.321 18.259 ( -0.110 1.242 -3.356) 3.580 ======================= Grid point 141 (63/226) ======================= q-point: (-0.36 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( -6.451 -0.827 1.817) 6.753 2.931 ( -19.334 -10.063 1.676) 21.860 3.322 ( 9.053 7.044 0.970) 11.512 4.214 ( 6.166 1.979 -1.129) 6.573 4.438 ( -0.359 0.803 2.441) 2.595 4.845 ( 20.827 2.245 4.592) 21.445 5.888 ( -14.652 -3.151 -8.650) 17.304 6.131 ( -5.637 -0.711 1.734) 5.940 6.431 ( -2.135 14.061 -8.822) 16.736 6.937 ( 6.780 -4.710 8.217) 11.648 7.235 ( 4.342 -10.285 -18.474) 21.585 7.937 ( 0.816 -9.488 -8.449) 12.730 7.999 ( -4.622 7.290 5.203) 10.079 8.810 ( -6.752 4.714 14.892) 17.017 8.938 ( 0.497 -5.363 2.139) 5.795 9.199 ( 9.065 5.821 1.344) 10.857 9.803 ( -0.966 1.110 2.017) 2.496 10.642 ( -0.910 -0.784 -2.484) 2.759 12.225 ( -2.072 4.041 -3.158) 5.531 12.697 ( 0.506 -6.205 8.158) 10.262 13.140 ( 4.663 3.539 -8.756) 10.532 13.786 ( -8.292 -2.273 9.354) 12.705 14.087 ( -8.941 -5.537 -0.066) 10.517 14.724 ( -0.442 -3.051 -0.171) 3.088 15.084 ( 5.621 2.553 -0.194) 6.177 16.266 ( 4.388 7.018 5.761) 10.084 17.531 ( 4.500 -5.657 -8.370) 11.059 17.604 ( 1.136 1.718 0.241) 2.074 17.947 ( -8.345 -0.263 -1.826) 8.547 18.348 ( 6.206 3.406 0.872) 7.132 ======================= Grid point 142 (64/226) ======================= q-point: (-0.27 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.042 ( -16.400 -9.177 -1.283) 18.836 2.503 ( -25.194 -6.958 2.967) 26.305 3.534 ( 10.545 6.693 1.533) 12.583 4.298 ( -0.933 -7.538 -2.981) 8.160 4.647 ( 16.410 7.902 6.397) 19.304 5.126 ( -4.770 -5.827 2.661) 7.986 5.466 ( 3.595 0.617 -1.248) 3.855 6.261 ( 7.221 8.672 0.407) 11.292 6.480 ( -2.004 15.632 -9.908) 18.615 7.033 ( 5.472 -1.259 -7.789) 9.602 7.138 ( 3.192 -7.448 -4.762) 9.399 7.784 ( -0.678 -10.525 -9.483) 14.183 8.031 ( -1.215 4.995 2.459) 5.698 8.782 ( -8.569 1.277 12.207) 14.969 8.966 ( 1.193 -0.491 6.947) 7.066 9.378 ( 7.453 0.980 -0.848) 7.565 9.790 ( -3.419 0.728 3.196) 4.736 10.569 ( -3.885 -3.074 -2.146) 5.399 12.200 ( -1.887 2.259 -3.620) 4.666 12.696 ( -0.784 -4.557 7.776) 9.047 13.158 ( 0.103 -1.396 -3.720) 3.975 13.710 ( -4.771 -0.296 3.410) 5.871 13.843 ( -9.705 -4.973 -2.365) 11.158 14.682 ( -0.663 -2.064 0.100) 2.170 15.237 ( 6.821 3.977 0.672) 7.924 16.473 ( 6.067 8.465 8.306) 13.321 17.448 ( -0.581 -6.751 -5.423) 8.679 17.678 ( 4.139 1.664 -0.919) 4.554 17.797 ( -6.962 -0.546 -3.185) 7.676 18.492 ( 6.213 3.351 0.542) 7.080 ======================= Grid point 143 (65/226) ======================= q-point: (-0.18 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( -20.071 -16.652 1.174) 26.106 1.983 ( -30.474 -9.139 3.706) 32.030 3.593 ( -32.663 -20.595 -0.574) 38.618 3.960 ( 6.523 1.369 0.166) 6.667 5.080 ( 14.131 10.025 4.523) 17.906 5.139 ( 17.633 11.106 -5.985) 21.682 5.839 ( 21.691 3.892 9.765) 24.104 6.450 ( 6.024 5.635 -2.926) 8.752 6.570 ( -0.120 19.166 -5.890) 20.052 6.987 ( 4.869 -6.534 -17.777) 19.555 7.140 ( -0.714 -1.643 8.229) 8.422 7.601 ( -3.762 -10.711 -5.802) 12.750 8.097 ( 4.219 3.416 -1.430) 5.614 8.713 ( -9.595 1.439 10.608) 14.376 9.020 ( 0.367 -0.872 7.109) 7.171 9.434 ( 2.819 -4.011 -4.158) 6.429 9.752 ( -4.475 2.464 2.669) 5.763 10.441 ( -5.541 -4.217 -1.820) 7.197 12.169 ( -1.609 1.967 -3.542) 4.359 12.643 ( -5.042 -6.760 5.658) 10.155 13.084 ( -3.825 -3.476 0.040) 5.169 13.527 ( -10.309 -5.448 1.488) 11.754 13.844 ( 6.451 5.463 -2.693) 8.872 14.669 ( 0.108 -0.244 0.439) 0.514 15.363 ( 4.104 2.265 0.923) 4.778 16.707 ( 6.807 7.725 7.306) 12.625 17.337 ( -0.489 -7.183 -5.735) 9.204 17.631 ( -7.287 -2.328 -0.403) 7.661 17.790 ( 4.550 3.400 -1.984) 6.017 18.611 ( 4.242 3.099 -0.748) 5.306 ======================= Grid point 144 (66/226) ======================= q-point: (-0.09 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( -18.539 -21.413 10.615) 30.247 1.389 ( -31.124 -13.955 6.318) 34.690 2.534 ( -54.811 -29.314 2.710) 62.217 4.251 ( 13.094 7.510 -0.309) 15.097 5.407 ( 19.117 9.806 -12.586) 24.900 5.598 ( 17.106 14.925 4.921) 23.229 6.280 ( 17.899 5.827 11.727) 22.178 6.536 ( 3.688 4.491 -6.301) 8.572 6.721 ( 1.307 12.245 -6.129) 13.755 6.896 ( 2.817 -7.322 -7.848) 11.097 7.165 ( -2.677 0.099 9.231) 9.612 7.397 ( -6.543 -10.900 4.125) 13.365 8.218 ( 9.038 2.024 -3.794) 10.009 8.626 ( -9.191 2.213 7.216) 11.893 9.014 ( -3.368 -4.341 4.354) 7.010 9.378 ( -1.044 -2.253 -3.681) 4.440 9.734 ( -1.746 2.715 -0.630) 3.288 10.292 ( -6.080 -3.820 -3.859) 8.152 12.148 ( -1.198 2.591 -2.553) 3.830 12.470 ( -8.021 -9.921 2.558) 13.012 12.982 ( -5.397 -3.130 1.859) 6.510 13.375 ( -5.008 -0.491 -3.164) 5.944 14.028 ( 9.258 4.288 3.973) 10.949 14.684 ( 1.071 0.670 0.371) 1.317 15.428 ( 1.426 0.716 1.137) 1.960 16.911 ( 6.689 4.704 1.543) 8.322 17.236 ( 0.817 -6.852 -5.713) 8.959 17.478 ( -7.837 -2.243 -1.540) 8.296 17.893 ( 4.053 3.087 1.039) 5.200 18.679 ( 1.294 3.503 -2.266) 4.369 ======================= Grid point 147 (67/226) ======================= q-point: ( 0.18 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( -13.958 21.811 23.276) 34.818 1.309 ( -3.241 17.568 30.207) 35.094 2.010 ( 9.759 33.469 39.723) 52.852 4.418 ( -0.172 -7.803 -3.389) 8.509 5.352 ( -4.896 -20.016 -21.068) 29.469 5.760 ( 12.348 -3.671 -16.273) 20.755 6.264 ( -0.949 1.891 -17.031) 17.162 6.748 ( 4.461 -12.198 3.510) 13.454 6.935 ( -7.879 -8.018 4.074) 11.956 7.054 ( -0.730 -6.134 10.075) 11.818 7.451 ( 2.444 -6.903 18.773) 20.151 7.800 ( -7.710 -14.721 19.162) 25.364 8.288 ( -5.282 -10.434 -5.059) 12.742 8.599 ( 4.838 8.652 2.480) 10.218 8.897 ( 3.070 8.647 -0.333) 9.182 9.222 ( 4.683 8.252 -10.625) 14.245 9.607 ( 1.390 1.781 -6.043) 6.451 9.852 ( -2.588 19.099 -2.790) 19.475 12.146 ( 4.842 -1.635 -0.155) 5.113 12.298 ( -6.847 9.691 2.012) 12.035 12.873 ( -3.529 5.558 -2.210) 6.944 12.953 ( 6.101 15.467 -8.478) 18.663 14.584 ( -1.293 -14.656 9.210) 17.358 14.729 ( 0.300 -1.973 0.874) 2.179 15.479 ( -0.068 1.423 2.198) 2.619 16.702 ( -4.822 -0.081 -9.909) 11.020 17.185 ( -0.674 -1.368 -0.382) 1.572 17.284 ( 0.809 7.643 -1.092) 7.763 18.028 ( 0.136 -1.925 3.173) 3.714 18.640 ( 3.240 -1.504 -2.884) 4.591 ======================= Grid point 148 (68/226) ======================= q-point: ( 0.27 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( 1.002 18.932 20.445) 27.882 1.668 ( 6.616 13.147 28.239) 31.845 2.891 ( 25.619 36.226 24.627) 50.745 4.234 ( -7.930 -10.775 -4.074) 13.985 4.974 ( -5.001 -14.216 -18.488) 23.852 5.755 ( 1.111 -4.570 -14.691) 15.425 6.132 ( -5.984 2.023 -12.374) 13.894 6.534 ( -16.087 -11.334 0.654) 19.690 6.816 ( 2.062 -14.399 10.962) 18.214 6.927 ( -6.454 -9.702 4.106) 12.355 7.547 ( 6.943 -9.606 11.455) 16.483 7.715 ( -1.773 -10.021 7.660) 12.737 8.121 ( -1.383 -2.986 1.216) 3.508 8.673 ( -6.093 11.635 2.514) 13.372 9.031 ( -0.476 7.747 0.339) 7.769 9.370 ( 9.178 2.689 -4.162) 10.430 9.598 ( -2.549 5.878 -5.595) 8.506 10.047 ( 9.213 11.959 -5.019) 15.908 12.268 ( 9.872 0.338 -0.401) 9.886 12.305 ( -3.932 6.768 3.307) 8.497 12.830 ( -2.840 7.269 -6.383) 10.082 13.245 ( 10.538 15.372 -3.018) 18.880 14.450 ( -4.447 -14.500 12.234) 19.486 14.703 ( -1.261 -1.380 0.227) 1.883 15.507 ( -0.499 0.465 4.109) 4.165 16.488 ( -8.690 -4.695 -10.761) 14.607 17.162 ( 1.850 -3.345 -1.779) 4.216 17.396 ( 4.261 6.474 -2.417) 8.118 18.026 ( -0.243 -2.335 3.784) 4.453 18.653 ( 0.701 -0.066 -4.688) 4.740 ======================= Grid point 149 (69/226) ======================= q-point: ( 0.36 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( 12.965 14.624 13.845) 23.951 2.092 ( 10.956 12.786 22.366) 27.996 3.608 ( 9.786 10.891 5.444) 15.621 4.026 ( 0.354 1.005 -0.580) 1.213 4.726 ( -2.482 -2.937 -12.340) 12.926 5.531 ( -11.723 -9.172 -7.465) 16.652 5.932 ( -16.227 -2.065 1.536) 16.430 6.208 ( -6.889 -2.648 -8.537) 11.285 6.721 ( -4.579 -11.182 6.844) 13.887 6.847 ( 7.170 -13.204 1.242) 15.076 7.569 ( 2.507 -19.697 -4.920) 20.457 7.640 ( 5.340 -3.606 7.625) 9.983 8.204 ( 2.979 3.188 11.159) 11.982 8.684 ( -6.026 7.761 2.846) 10.229 9.022 ( -6.997 7.307 -0.855) 10.153 9.405 ( -1.598 -1.957 -7.744) 8.146 9.657 ( 0.768 12.080 0.336) 12.109 10.284 ( 10.804 7.958 -4.459) 14.140 12.318 ( -4.027 6.907 1.659) 8.166 12.448 ( 11.247 -2.548 2.062) 11.715 12.851 ( 1.089 8.268 -7.002) 10.889 13.532 ( 8.012 14.223 1.234) 16.371 14.320 ( -4.521 -14.217 14.788) 21.006 14.682 ( -0.709 1.026 -0.427) 1.318 15.493 ( -4.045 -3.230 5.223) 7.354 16.249 ( -6.018 -3.741 -11.054) 13.130 17.164 ( 4.979 -4.018 -4.739) 7.962 17.504 ( 4.068 4.730 -2.717) 6.804 18.029 ( 0.198 -1.723 4.374) 4.705 18.593 ( -3.903 -0.383 -5.707) 6.925 ======================= Grid point 150 (70/226) ======================= q-point: ( 0.45 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.111 ( 10.258 12.020 8.594) 17.988 2.528 ( 13.246 12.135 16.142) 24.151 3.540 ( -4.770 -9.375 1.919) 10.693 4.123 ( 3.736 -3.175 -7.818) 9.228 4.694 ( -6.872 11.291 -7.409) 15.153 5.135 ( -16.406 -14.526 -3.152) 22.138 5.705 ( -4.613 0.514 -0.959) 4.739 6.176 ( 1.199 6.958 1.981) 7.333 6.610 ( -2.068 -3.460 -0.921) 4.135 6.839 ( 7.619 -17.044 1.688) 18.746 7.383 ( 2.046 -19.811 -8.534) 21.668 7.767 ( 6.152 0.102 9.409) 11.242 8.300 ( -4.908 4.353 5.285) 8.424 8.674 ( -1.245 0.851 7.131) 7.289 8.984 ( -3.835 7.379 -3.796) 9.141 9.270 ( -6.983 -1.951 -3.746) 8.161 9.773 ( -0.458 10.781 -0.144) 10.792 10.485 ( 7.806 6.254 -3.817) 10.706 12.318 ( -2.842 3.654 0.615) 4.670 12.590 ( 6.173 -2.267 3.892) 7.641 12.927 ( 2.946 8.484 -7.110) 11.454 13.806 ( 8.173 12.270 3.167) 15.079 14.209 ( -4.091 -14.038 17.167) 22.550 14.694 ( -0.212 3.282 -0.600) 3.343 15.349 ( -8.641 -8.264 0.920) 11.992 16.128 ( -1.213 1.912 -5.406) 5.861 17.193 ( 7.718 -4.264 -7.699) 11.706 17.582 ( 2.693 2.850 -2.555) 4.680 18.060 ( 1.618 -0.159 4.780) 5.049 18.457 ( -6.906 -1.355 -6.294) 9.442 ======================= Grid point 151 (71/226) ======================= q-point: ( 0.55 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.360 ( 1.319 12.468 6.021) 13.908 2.931 ( 12.742 9.846 9.396) 18.644 3.385 ( -7.488 -10.311 3.941) 13.338 4.147 ( 12.069 -2.863 -4.017) 13.038 4.463 ( -18.672 -1.309 -0.300) 18.721 4.742 ( -10.233 -13.827 -8.384) 19.136 5.772 ( 7.643 8.642 -10.473) 15.581 6.352 ( 2.273 11.906 7.727) 14.375 6.575 ( 0.337 0.986 -2.412) 2.628 6.798 ( 5.027 -15.845 3.846) 17.062 7.130 ( -3.242 -19.482 -11.369) 22.789 7.922 ( 3.062 0.427 6.421) 7.127 8.194 ( -9.564 5.126 -2.212) 11.075 8.775 ( 4.926 -1.879 13.103) 14.124 8.967 ( 0.147 0.567 -9.011) 9.030 9.143 ( -6.450 1.962 5.250) 8.545 9.852 ( -1.764 9.847 0.524) 10.018 10.608 ( 3.591 4.620 -3.782) 6.968 12.300 ( -1.909 0.533 -0.499) 2.044 12.658 ( 1.678 -1.996 5.103) 5.731 13.010 ( 2.551 8.471 -7.678) 11.714 14.016 ( -0.938 0.919 10.390) 10.473 14.148 ( 1.977 -6.465 10.648) 12.613 14.716 ( -0.340 2.103 -0.621) 2.219 15.115 ( -7.390 -6.597 -3.665) 10.562 16.167 ( 1.690 6.476 1.942) 6.969 17.241 ( 9.506 -4.617 -10.289) 14.750 17.615 ( 0.552 1.349 -1.438) 2.048 18.135 ( 2.334 1.445 5.095) 5.788 18.281 ( -6.608 -2.038 -6.683) 9.617 ======================= Grid point 152 (72/226) ======================= q-point: (-0.36 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.475 ( -7.690 13.008 4.007) 15.634 3.128 ( -12.379 -7.996 2.508) 14.949 3.227 ( 8.868 4.622 3.526) 10.604 4.167 ( -7.254 -12.658 0.443) 14.596 4.387 ( 9.946 -1.174 1.739) 10.165 4.561 ( 11.305 -0.947 -2.542) 11.626 5.935 ( 7.247 10.771 -9.724) 16.220 6.381 ( -17.204 0.394 6.488) 18.390 6.582 ( -4.395 9.190 -4.326) 11.067 6.756 ( 3.877 -12.138 -8.612) 15.380 6.890 ( 10.140 -13.570 -4.000) 17.406 7.855 ( -5.356 -2.972 -7.353) 9.570 8.172 ( -4.300 6.368 3.697) 8.527 8.889 ( 1.497 -4.477 -1.262) 4.887 8.919 ( 2.687 -5.273 15.238) 16.347 9.188 ( 2.055 7.167 2.646) 7.911 9.906 ( -3.520 8.401 2.213) 9.374 10.648 ( -0.331 2.799 -3.642) 4.606 12.262 ( -1.369 -1.611 -0.995) 2.337 12.686 ( 0.370 -1.409 5.397) 5.590 13.082 ( 2.210 8.066 -7.844) 11.466 13.929 ( -7.590 -11.688 14.989) 20.467 14.172 ( -5.078 -1.320 -0.097) 5.247 14.706 ( 0.083 -1.546 -0.516) 1.632 15.030 ( 2.168 2.602 -1.515) 3.710 16.311 ( 3.671 8.720 5.841) 11.119 17.281 ( 8.976 -5.624 -12.590) 16.453 17.623 ( -0.317 1.465 0.657) 1.637 18.066 ( -8.333 -2.141 -3.153) 9.163 18.285 ( 6.052 2.246 1.812) 6.705 ======================= Grid point 153 (73/226) ======================= q-point: (-0.27 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.314 ( -20.792 1.162 -0.569) 20.833 2.856 ( -20.159 -2.086 3.500) 20.567 3.397 ( 9.853 1.114 -0.504) 9.929 4.060 ( 10.460 -14.210 0.174) 17.645 4.557 ( 10.538 8.897 1.992) 13.935 4.939 ( 22.603 0.378 8.413) 24.121 5.798 ( -33.881 1.893 -1.941) 33.990 6.208 ( 6.525 3.615 1.572) 7.623 6.591 ( -0.711 8.339 -6.317) 10.486 6.682 ( 11.750 -10.903 -21.090) 26.491 7.023 ( 8.588 0.081 2.477) 8.939 7.697 ( -4.105 -3.600 -7.948) 9.642 8.140 ( -6.009 3.653 0.379) 7.043 8.861 ( 1.149 -8.740 8.001) 11.905 9.009 ( 0.962 -2.204 12.625) 12.852 9.323 ( 4.398 6.414 -0.737) 7.811 9.915 ( -5.624 5.571 3.563) 8.681 10.611 ( -3.829 1.265 -3.203) 5.150 12.217 ( -1.019 -2.122 -1.007) 2.560 12.713 ( 0.048 -1.013 5.537) 5.629 13.133 ( 0.579 5.603 -6.456) 8.568 13.785 ( -4.888 -8.300 7.873) 12.441 13.961 ( -12.381 -7.218 -0.878) 14.358 14.701 ( -1.285 1.481 0.915) 2.164 15.155 ( 7.410 3.336 0.936) 8.180 16.506 ( 5.316 8.206 5.739) 11.337 17.265 ( 5.322 -6.177 -13.442) 15.721 17.659 ( 1.525 2.398 2.451) 3.753 17.893 ( -7.474 -2.198 -3.261) 8.446 18.430 ( 6.503 2.887 2.329) 7.486 ======================= Grid point 154 (74/226) ======================= q-point: (-0.18 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.897 ( -25.637 -4.356 0.727) 26.014 2.396 ( -28.740 -9.619 0.273) 30.308 3.628 ( 13.855 1.266 -0.252) 13.915 4.025 ( -9.338 -10.250 2.034) 14.014 4.934 ( 19.105 11.379 6.594) 23.194 5.099 ( -9.594 0.796 -0.603) 9.646 5.591 ( 15.646 4.857 6.858) 17.760 6.370 ( 6.612 1.625 -0.844) 6.861 6.630 ( 12.644 -11.541 -13.915) 22.061 6.693 ( 0.847 13.542 -8.060) 15.782 7.166 ( 4.941 5.529 0.032) 7.415 7.548 ( -4.878 -3.869 -5.814) 8.519 8.087 ( -1.971 1.009 -1.223) 2.530 8.831 ( -1.243 -10.312 10.608) 14.847 9.060 ( -0.328 -1.819 9.479) 9.657 9.417 ( 0.772 6.373 -3.245) 7.193 9.866 ( -6.522 0.993 3.315) 7.383 10.514 ( -6.610 0.747 -2.703) 7.181 12.182 ( -0.591 -1.305 -0.332) 1.471 12.702 ( -4.021 -2.224 3.046) 5.513 13.116 ( -2.987 1.802 -3.485) 4.931 13.680 ( -12.554 -7.002 4.647) 15.107 13.759 ( 4.565 -1.638 -0.079) 4.851 14.695 ( -1.946 1.629 1.249) 2.828 15.304 ( 6.249 1.540 1.629) 6.639 16.688 ( 6.617 3.552 1.136) 7.596 17.196 ( 1.889 -3.554 -11.590) 12.269 17.718 ( -4.213 -0.639 1.151) 4.414 17.764 ( 0.644 1.490 -0.255) 1.643 18.571 ( 5.323 3.067 1.787) 6.398 ======================= Grid point 155 (75/226) ======================= q-point: (-0.09 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.441 ( -26.165 -4.077 6.286) 27.216 1.782 ( -30.972 -14.406 1.771) 34.204 3.305 ( -47.522 -7.199 8.592) 48.827 4.045 ( 15.745 2.795 -0.126) 15.992 5.113 ( 12.080 3.316 -12.214) 17.496 5.429 ( 22.108 8.603 8.452) 25.183 6.044 ( 22.825 3.238 11.022) 25.553 6.434 ( 5.003 -1.843 -6.813) 8.652 6.628 ( 7.719 -6.668 -11.803) 15.600 6.826 ( 2.292 10.625 -2.633) 11.184 7.312 ( 1.909 9.434 6.466) 11.596 7.395 ( -5.849 -4.584 -0.486) 7.447 8.093 ( 3.883 0.201 -3.496) 5.229 8.742 ( -4.171 -10.744 8.712) 14.447 9.071 ( -1.888 -2.419 5.690) 6.464 9.435 ( -4.160 7.620 -2.977) 9.178 9.773 ( -3.941 -3.641 0.599) 5.399 10.380 ( -8.526 1.124 -3.642) 9.339 12.175 ( -0.153 0.738 1.503) 1.682 12.555 ( -9.734 -3.835 -2.295) 10.711 13.041 ( -4.761 -1.243 -1.619) 5.180 13.482 ( -8.963 -2.428 3.528) 9.933 13.908 ( 11.041 1.625 4.445) 12.013 14.688 ( -0.723 0.615 0.690) 1.173 15.403 ( 3.469 0.149 1.937) 3.977 16.774 ( 7.165 -5.404 -9.121) 12.796 17.157 ( 0.386 3.237 -5.493) 6.387 17.581 ( -7.483 -1.466 -1.620) 7.796 17.864 ( 4.092 2.305 3.575) 5.902 18.677 ( 3.071 2.913 0.497) 4.262 ======================= Grid point 158 (76/226) ======================= q-point: ( 0.18 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( -8.710 24.888 18.628) 32.284 1.782 ( -5.090 21.343 25.256) 33.456 2.656 ( -24.520 28.676 26.409) 46.053 4.244 ( 8.217 -10.275 -3.158) 13.530 5.057 ( 3.016 -17.105 -19.326) 25.984 5.414 ( 8.465 -10.989 -13.262) 19.191 6.129 ( 5.840 -2.193 -10.800) 12.472 6.437 ( 14.581 -16.324 -0.298) 21.890 6.827 ( 4.098 -15.132 3.516) 16.066 7.192 ( -3.555 9.065 4.870) 10.887 7.521 ( -8.099 -14.514 19.869) 25.904 7.942 ( -3.941 1.157 14.153) 14.737 8.235 ( -2.657 -6.285 -8.210) 10.675 8.519 ( 11.591 6.939 5.163) 14.462 8.912 ( 8.261 6.902 -2.068) 10.962 9.275 ( -11.816 3.077 -7.363) 14.258 9.553 ( 2.879 1.466 -6.183) 6.976 10.097 ( -8.102 12.336 -1.690) 14.855 12.076 ( 0.355 -3.535 -1.003) 3.692 12.566 ( -8.679 13.073 2.305) 15.860 12.881 ( 6.554 12.351 -1.328) 14.045 13.091 ( -10.560 5.673 -6.375) 13.577 14.488 ( 3.245 -12.784 10.211) 16.680 14.702 ( 1.408 -1.220 0.922) 2.079 15.513 ( 0.091 1.149 4.205) 4.360 16.628 ( 5.881 0.617 -12.533) 13.858 17.206 ( -3.013 0.968 -2.727) 4.177 17.392 ( -5.372 5.943 -1.400) 8.132 18.014 ( 0.837 -3.584 4.020) 5.451 18.537 ( 2.425 -5.576 -3.032) 6.795 ======================= Grid point 159 (77/226) ======================= q-point: ( 0.27 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( -14.690 24.594 18.617) 34.165 1.945 ( -4.762 13.935 25.728) 29.644 3.075 ( 10.961 37.806 20.452) 44.359 4.178 ( -1.346 -12.665 -2.723) 13.025 4.755 ( -0.443 -16.072 -18.724) 24.680 5.454 ( 12.448 -9.024 -14.743) 21.301 6.107 ( 1.453 1.916 -11.264) 11.517 6.481 ( 7.744 -19.864 2.280) 21.442 6.706 ( 0.525 -17.751 2.953) 18.002 7.033 ( -17.395 -11.861 9.828) 23.234 7.475 ( 2.173 -3.436 10.056) 10.847 7.775 ( -13.118 -12.013 2.584) 17.975 8.108 ( 0.310 -2.538 1.445) 2.937 8.875 ( 4.938 14.118 5.268) 15.857 9.102 ( -3.374 11.445 -2.785) 12.252 9.187 ( 12.142 1.591 -4.255) 12.964 9.603 ( 3.232 5.165 -4.431) 7.534 10.101 ( -3.328 10.726 -2.461) 11.497 12.107 ( 6.614 -1.931 -0.093) 6.891 12.559 ( -9.699 13.801 2.944) 17.123 12.932 ( -5.244 4.839 -4.287) 8.325 13.217 ( 10.156 19.594 -3.322) 22.318 14.421 ( -1.279 -15.368 10.960) 18.920 14.701 ( -0.185 -1.420 0.457) 1.503 15.554 ( -0.495 1.611 5.664) 5.910 16.528 ( -6.370 -2.902 -13.015) 14.778 17.118 ( -2.853 -4.350 -2.088) 5.606 17.411 ( 0.457 7.448 -2.064) 7.742 18.012 ( 0.791 -4.273 4.022) 5.921 18.551 ( 5.348 -3.533 -3.773) 7.438 ======================= Grid point 160 (78/226) ======================= q-point: ( 0.36 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.949 ( -6.380 21.155 17.823) 28.389 2.242 ( 3.825 15.987 21.063) 26.718 3.647 ( 4.791 16.232 5.843) 17.904 3.993 ( -0.528 -5.947 -2.402) 6.436 4.603 ( 5.399 -1.329 -12.639) 13.808 5.399 ( 3.810 -14.797 -12.748) 19.899 6.114 ( -0.699 6.720 -2.647) 7.256 6.272 ( -10.753 -15.585 -1.871) 19.027 6.617 ( 3.060 -16.617 -2.337) 17.057 6.673 ( -6.573 -21.956 11.221) 25.519 7.449 ( -9.270 -12.289 -0.762) 15.412 7.579 ( 4.781 -0.026 6.161) 7.798 8.180 ( 6.002 -1.266 6.895) 9.229 8.912 ( -8.538 8.891 0.070) 12.327 9.177 ( -3.052 8.407 -3.098) 9.465 9.352 ( 3.651 2.173 0.333) 4.262 9.727 ( 5.058 9.809 -1.870) 11.193 10.184 ( 5.538 8.055 -4.305) 10.681 12.233 ( 9.575 -3.317 1.812) 10.294 12.537 ( -7.978 12.350 -0.380) 14.708 12.920 ( -2.131 9.182 -2.384) 9.723 13.549 ( 8.768 17.586 -0.659) 19.662 14.314 ( -2.221 -15.635 13.811) 20.980 14.691 ( 0.053 0.658 -0.596) 0.889 15.570 ( -3.683 -1.334 6.709) 7.769 16.287 ( -8.518 -1.360 -11.840) 14.649 17.033 ( 1.149 -6.625 -3.604) 7.629 17.490 ( 2.293 6.368 -2.774) 7.315 18.012 ( 1.302 -3.983 3.990) 5.787 18.554 ( 1.829 -3.571 -5.556) 6.853 ======================= Grid point 161 (79/226) ======================= q-point: ( 0.45 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.228 ( 3.477 20.192 13.614) 24.600 2.594 ( 6.663 15.089 16.380) 23.246 3.561 ( -7.255 -7.990 1.765) 10.935 4.004 ( 1.088 -3.933 -7.353) 8.409 4.752 ( 6.202 13.625 -11.382) 18.806 5.154 ( -6.311 -18.607 -6.110) 20.576 5.824 ( -18.687 -12.147 0.055) 22.288 6.233 ( 4.467 5.231 0.123) 6.879 6.433 ( 6.844 -12.497 -11.782) 18.489 6.611 ( 3.585 -17.059 12.480) 21.439 7.238 ( -4.317 -8.980 0.815) 9.997 7.717 ( 6.484 1.489 6.778) 9.497 8.329 ( 7.158 -1.670 7.900) 10.790 8.833 ( -9.396 4.832 1.113) 10.624 9.104 ( -8.291 6.098 -8.357) 13.258 9.353 ( -4.642 0.370 2.376) 5.227 9.877 ( 1.491 10.744 -1.425) 10.940 10.368 ( 10.173 6.244 -4.428) 12.731 12.310 ( 2.936 -6.701 2.426) 7.707 12.584 ( 1.066 11.328 -2.022) 11.557 12.984 ( -1.643 11.638 -0.678) 11.773 13.820 ( 6.517 13.072 1.042) 14.643 14.220 ( -2.367 -15.684 17.127) 23.344 14.717 ( 0.906 3.401 -0.803) 3.610 15.439 ( -10.284 -6.361 0.301) 12.096 16.162 ( -2.021 4.717 -3.756) 6.360 16.987 ( 4.853 -6.982 -6.657) 10.799 17.565 ( 2.140 4.848 -2.632) 5.917 18.034 ( 2.660 -2.867 3.820) 5.467 18.473 ( -2.722 -4.105 -6.582) 8.221 ======================= Grid point 162 (80/226) ======================= q-point: ( 0.55 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.553 ( 2.134 21.211 9.528) 23.350 2.923 ( 7.407 11.288 10.934) 17.373 3.424 ( -4.845 -8.083 6.696) 11.560 3.939 ( 5.240 -3.368 -6.197) 8.787 4.666 ( -6.509 -15.130 -12.350) 20.586 4.773 ( -21.856 -6.756 -1.023) 22.899 5.624 ( 6.604 -1.824 -8.178) 10.668 6.278 ( 12.556 -12.144 -17.668) 24.845 6.528 ( 5.183 8.595 5.281) 11.342 6.580 ( 1.356 -10.837 8.271) 13.700 7.114 ( -6.080 -4.706 4.913) 9.124 7.907 ( 7.397 2.462 9.468) 12.265 8.388 ( -6.523 1.469 0.599) 6.713 8.764 ( -1.199 1.889 4.698) 5.204 8.960 ( -5.530 -0.618 -8.854) 10.457 9.277 ( -6.030 0.075 4.119) 7.303 9.973 ( -0.215 9.697 -1.014) 9.752 10.545 ( 7.190 5.198 -4.311) 9.864 12.271 ( 0.432 -6.859 0.119) 6.873 12.694 ( 0.650 7.025 0.295) 7.061 13.067 ( -1.536 12.031 -1.200) 12.188 14.041 ( 6.422 7.542 2.168) 10.140 14.135 ( -2.370 -15.129 17.916) 23.569 14.743 ( -1.364 0.547 -0.084) 1.472 15.186 ( -9.880 -2.385 -6.090) 11.848 16.231 ( 1.326 7.763 4.608) 9.124 16.982 ( 7.920 -6.057 -9.710) 13.918 17.617 ( 0.987 3.357 -1.662) 3.874 18.096 ( 4.704 -1.244 3.456) 5.969 18.319 ( -5.708 -4.373 -6.750) 9.862 ======================= Grid point 163 (81/226) ======================= q-point: (-0.36 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.794 ( -5.525 22.446 5.874) 23.851 3.150 ( 4.326 4.615 2.850) 6.938 3.262 ( -7.242 -8.834 7.642) 13.744 4.138 ( 17.916 4.034 0.758) 18.380 4.194 ( -15.460 -25.624 -0.878) 29.940 4.475 ( -5.165 -2.286 -6.047) 8.275 5.769 ( 14.086 2.506 -9.092) 16.951 6.254 ( 12.990 -12.957 -21.916) 28.582 6.543 ( -0.245 -7.902 6.235) 10.068 6.726 ( 5.362 10.065 -0.783) 11.431 6.967 ( -16.480 1.088 12.110) 20.480 7.971 ( -10.872 1.842 -1.398) 11.116 8.286 ( -1.867 4.112 1.400) 4.728 8.799 ( -0.336 -4.298 -6.568) 7.856 8.896 ( 4.943 -3.176 12.135) 13.482 9.235 ( -1.508 0.969 2.458) 3.042 10.047 ( -1.292 8.068 0.720) 8.203 10.645 ( 2.500 4.219 -4.020) 6.341 12.214 ( 0.951 -6.761 -0.608) 6.854 12.736 ( -1.761 3.833 1.279) 4.407 13.142 ( -1.900 11.675 -2.428) 12.075 13.993 ( -5.749 -16.813 15.948) 23.876 14.212 ( 1.104 2.383 -0.180) 2.632 14.675 ( -0.408 -3.857 -1.305) 4.093 15.072 ( -3.573 6.179 -2.606) 7.599 16.373 ( 2.541 6.799 6.748) 9.910 17.015 ( 8.862 -3.146 -11.392) 14.772 17.647 ( 0.095 2.467 0.163) 2.474 18.134 ( -6.801 -4.067 -5.833) 9.840 18.205 ( 6.694 0.107 2.751) 7.238 ======================= Grid point 164 (82/226) ======================= q-point: (-0.27 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.705 ( -21.900 5.051 0.339) 22.477 3.162 ( -12.067 4.983 4.026) 13.662 3.264 ( 4.860 -2.041 0.367) 5.284 3.784 ( 2.046 -19.264 0.502) 19.379 4.471 ( 8.376 5.450 -1.106) 10.054 4.607 ( 24.418 3.098 7.637) 25.772 5.989 ( 16.974 -3.018 -5.948) 18.237 6.159 ( 0.985 -9.269 -21.471) 23.407 6.440 ( -12.190 -2.679 6.638) 14.136 6.762 ( -12.243 8.963 5.053) 15.992 6.918 ( 5.913 7.121 -0.900) 9.300 7.744 ( -9.220 0.147 -8.529) 12.560 8.283 ( -6.392 2.694 0.615) 6.964 8.752 ( 4.149 -10.658 5.289) 12.601 9.028 ( 3.505 -0.575 9.891) 10.509 9.280 ( 4.632 1.222 -0.525) 4.819 10.078 ( -3.993 4.898 2.263) 6.713 10.665 ( -1.744 3.559 -3.276) 5.142 12.171 ( 1.377 -5.452 -0.392) 5.637 12.750 ( -0.901 1.916 2.733) 3.458 13.192 ( -2.564 10.052 -3.690) 11.011 13.809 ( -5.835 -14.722 7.972) 17.730 14.093 ( -10.670 -4.685 -0.101) 11.653 14.720 ( 3.735 2.127 0.639) 4.345 15.107 ( 1.779 4.176 1.304) 4.723 16.500 ( 4.237 1.200 2.554) 5.090 17.071 ( 6.044 2.531 -10.531) 12.403 17.681 ( 0.696 2.150 2.586) 3.434 17.958 ( -6.469 -3.128 -4.667) 8.568 18.346 ( 7.731 0.842 2.489) 8.165 ======================= Grid point 165 (83/226) ======================= q-point: (-0.18 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.327 ( -26.204 1.750 1.017) 26.282 2.753 ( -27.107 -11.894 -1.105) 29.622 3.386 ( 12.419 -1.478 -1.054) 12.551 3.923 ( 13.401 1.150 2.814) 13.741 4.737 ( 17.783 4.092 2.072) 18.365 5.111 ( 20.654 6.748 11.997) 24.820 5.707 ( -23.326 -10.093 -12.391) 28.276 6.219 ( 12.026 -0.315 -0.912) 12.065 6.319 ( -0.507 -3.863 0.727) 3.963 6.782 ( -1.003 11.645 -1.034) 11.734 7.091 ( 8.417 9.218 -7.427) 14.525 7.595 ( -4.736 0.622 -5.490) 7.277 8.171 ( -7.477 -0.103 0.843) 7.525 8.752 ( 3.045 -11.503 7.674) 14.159 9.099 ( -0.069 -2.298 8.591) 8.893 9.380 ( 6.503 1.858 -3.718) 7.718 10.022 ( -7.654 0.039 2.712) 8.121 10.621 ( -5.291 3.341 -2.477) 6.730 12.154 ( 1.527 -3.071 0.956) 3.560 12.761 ( -2.203 0.113 2.359) 3.229 13.192 ( -4.409 6.385 -4.257) 8.850 13.667 ( 0.472 -8.453 1.183) 8.548 13.866 ( -12.189 -3.805 5.356) 13.847 14.763 ( -1.975 2.144 1.153) 3.135 15.214 ( 6.455 0.554 2.142) 6.824 16.552 ( 5.734 -5.963 -5.411) 9.886 17.133 ( 1.733 8.337 -7.701) 11.481 17.748 ( 2.528 1.590 3.990) 4.983 17.808 ( -6.229 -1.489 -2.402) 6.841 18.496 ( 7.514 0.909 1.770) 7.773 ======================= Grid point 166 (84/226) ======================= q-point: (-0.09 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.919 ( -27.120 3.553 2.556) 27.470 2.172 ( -28.712 -10.743 3.537) 30.859 3.590 ( 11.861 -1.592 -2.325) 12.191 4.058 ( -6.833 5.548 4.286) 9.790 5.078 ( -16.859 -2.160 -4.922) 17.695 5.132 ( 22.287 -0.062 6.174) 23.126 5.699 ( 25.405 -1.122 2.708) 25.573 6.309 ( 3.901 -2.904 -0.774) 4.924 6.386 ( 9.203 -0.869 -1.316) 9.337 6.873 ( 0.702 9.544 -6.135) 11.368 7.284 ( 7.691 7.624 -0.838) 10.862 7.531 ( -3.517 7.292 -2.938) 8.613 8.080 ( -3.686 -1.302 3.177) 5.038 8.713 ( -0.027 -10.929 6.289) 12.609 9.088 ( -1.678 -5.194 5.126) 7.488 9.473 ( 4.955 3.494 -5.524) 8.202 9.861 ( -10.275 -5.087 2.309) 11.695 10.525 ( -8.227 2.944 -2.730) 9.155 12.182 ( 1.852 0.321 3.837) 4.272 12.662 ( -8.110 -2.057 -3.484) 9.063 13.116 ( -6.372 1.835 -4.471) 7.998 13.644 ( -7.022 -1.966 6.401) 9.703 13.780 ( 6.361 0.282 6.132) 8.840 14.728 ( -3.203 -0.037 0.571) 3.254 15.332 ( 6.172 -1.103 2.228) 6.654 16.523 ( 5.988 -8.358 -11.815) 15.662 17.194 ( -0.251 9.827 -5.276) 11.156 17.671 ( -6.077 -1.155 -2.744) 6.767 17.851 ( 2.931 1.867 6.035) 6.964 18.620 ( 5.866 -0.126 0.154) 5.869 ======================= Grid point 169 (85/226) ======================= q-point: ( 0.18 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.124 ( -9.720 24.129 12.175) 28.722 2.169 ( -2.107 19.368 21.916) 29.324 3.477 ( -28.502 19.196 9.626) 35.686 3.958 ( 10.375 -9.911 -1.084) 14.389 4.733 ( 6.909 -12.554 -14.293) 20.239 5.117 ( 3.075 -16.870 -10.919) 20.330 5.863 ( 16.985 -11.137 5.771) 21.114 6.144 ( 1.151 -3.612 -10.327) 11.001 6.611 ( 4.670 -16.293 -0.967) 16.976 7.331 ( 1.320 10.991 1.837) 11.221 7.647 ( -8.227 -12.230 17.935) 23.215 8.087 ( -1.355 2.333 11.469) 11.782 8.167 ( 2.523 3.186 -9.892) 10.694 8.437 ( 5.099 -2.824 6.620) 8.820 8.798 ( 5.562 0.930 -3.463) 6.617 9.448 ( -1.154 1.536 -9.540) 9.732 9.498 ( -3.740 6.046 -0.446) 7.124 10.317 ( -7.787 8.195 -1.668) 11.427 12.050 ( -2.592 -4.798 -0.899) 5.527 12.783 ( -3.932 8.110 -2.516) 9.357 12.918 ( 5.222 14.166 3.174) 15.428 13.328 ( -15.198 6.000 -1.969) 16.458 14.370 ( 4.299 -11.588 11.200) 16.680 14.675 ( 1.676 -0.335 1.007) 1.983 15.533 ( 2.806 0.126 7.190) 7.719 16.411 ( 10.535 1.077 -13.996) 17.551 17.261 ( -4.052 2.936 -5.011) 7.081 17.526 ( -5.292 5.392 -2.351) 7.912 17.990 ( 0.176 -4.905 5.149) 7.113 18.421 ( 1.479 -7.547 -4.205) 8.765 ======================= Grid point 170 (86/226) ======================= q-point: ( 0.27 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.279 ( -5.706 19.112 17.585) 26.591 2.400 ( -10.912 15.106 18.981) 26.600 3.473 ( -5.567 33.257 7.349) 34.511 4.014 ( 6.330 -10.767 0.892) 12.522 4.501 ( -1.197 -17.066 -15.335) 22.975 5.070 ( 11.827 -9.727 -13.689) 20.539 6.037 ( 10.396 -8.038 3.590) 13.623 6.086 ( 6.361 -10.188 -5.497) 13.208 6.482 ( 3.649 -21.545 -1.833) 21.929 7.321 ( -18.147 -6.450 10.132) 21.762 7.482 ( -0.656 -5.365 8.663) 10.211 7.873 ( -12.547 -12.534 -3.622) 18.101 8.121 ( -2.737 0.264 1.622) 3.193 8.833 ( 18.457 14.449 7.824) 24.712 8.961 ( 11.534 0.202 -4.774) 12.484 9.327 ( -8.384 10.854 -3.786) 14.228 9.580 ( 2.782 6.162 -2.585) 7.239 10.263 ( -6.668 7.113 -2.067) 9.966 12.012 ( 2.490 -2.171 -0.187) 3.309 12.842 ( -3.260 14.403 1.518) 14.845 13.032 ( -6.000 0.376 -0.924) 6.082 13.286 ( 1.663 22.313 -2.068) 22.470 14.341 ( 0.873 -14.751 10.366) 18.050 14.691 ( 0.443 -1.301 0.774) 1.577 15.615 ( 0.451 1.544 8.655) 8.803 16.441 ( 3.385 -2.155 -15.429) 15.943 17.146 ( -6.606 -2.512 -5.555) 8.989 17.491 ( -3.249 6.329 -1.910) 7.366 17.974 ( 0.813 -5.955 4.887) 7.746 18.398 ( 5.203 -5.077 -2.922) 7.835 ======================= Grid point 171 (87/226) ======================= q-point: ( 0.36 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.390 ( -12.365 10.104 16.857) 23.220 2.508 ( -2.175 19.914 15.818) 25.524 3.823 ( -0.334 21.749 0.531) 21.758 3.916 ( -1.799 -10.668 -0.575) 10.834 4.396 ( 10.832 1.971 -9.973) 14.855 5.061 ( 9.091 -13.973 -13.615) 21.523 6.031 ( 7.073 -25.057 -3.327) 26.248 6.122 ( 4.745 4.509 -0.259) 6.551 6.379 ( 7.217 -17.122 1.007) 18.608 6.855 ( -27.117 -19.631 12.757) 35.825 7.528 ( -5.126 -5.866 0.394) 7.800 7.561 ( -3.061 -1.765 1.325) 3.774 8.123 ( 1.949 -0.337 2.858) 3.476 8.999 ( 1.015 -3.437 -6.448) 7.377 9.242 ( 7.438 12.959 3.935) 15.451 9.401 ( -0.176 13.245 1.517) 13.333 9.683 ( 5.978 6.723 -1.993) 9.215 10.214 ( -3.357 5.068 -3.550) 7.039 12.081 ( 6.932 -0.906 0.548) 7.013 12.794 ( -11.916 6.636 -3.706) 14.134 13.049 ( -0.136 11.616 4.351) 12.405 13.581 ( 7.428 20.939 -2.589) 22.368 14.268 ( -0.383 -15.043 12.791) 19.749 14.687 ( 0.476 -0.373 -0.156) 0.624 15.667 ( -2.840 0.012 9.215) 9.642 16.311 ( -4.194 -0.879 -15.210) 15.802 16.969 ( -4.284 -7.143 -4.138) 9.300 17.515 ( -0.024 6.387 -2.554) 6.879 17.965 ( 1.556 -5.741 4.290) 7.334 18.424 ( 4.889 -4.632 -3.966) 7.816 ======================= Grid point 172 (88/226) ======================= q-point: ( 0.45 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.462 ( -1.519 12.263 12.621) 17.663 2.774 ( 1.890 17.120 13.159) 21.675 3.662 ( -10.287 -5.560 3.440) 12.189 3.937 ( -0.864 0.537 -6.395) 6.475 4.665 ( 9.692 12.743 -11.986) 19.999 4.941 ( 5.020 -14.983 -8.540) 17.962 5.871 ( 6.428 -18.988 -10.286) 22.531 6.123 ( -22.348 -20.130 -5.455) 30.568 6.328 ( 10.603 6.152 5.480) 13.428 6.475 ( -0.668 -16.153 17.293) 23.672 7.309 ( -8.469 -4.086 2.807) 9.813 7.663 ( 5.812 1.859 3.423) 6.996 8.214 ( 7.276 -1.253 3.711) 8.264 8.929 ( -1.376 -3.018 -3.732) 4.992 9.319 ( -10.681 9.894 -1.465) 14.633 9.468 ( -3.993 6.071 0.660) 7.296 9.881 ( 7.300 7.908 -1.580) 10.878 10.250 ( 6.023 4.138 -3.683) 8.183 12.190 ( 6.013 -3.532 1.740) 7.187 12.681 ( -4.285 7.114 -5.936) 10.208 13.179 ( -3.564 14.474 5.541) 15.903 13.846 ( 5.431 14.597 -2.900) 15.842 14.202 ( -1.042 -14.915 16.636) 22.367 14.717 ( 2.173 2.404 -0.344) 3.259 15.566 ( -10.831 -4.484 0.140) 11.723 16.217 ( -0.687 5.937 -4.287) 7.355 16.835 ( 0.228 -8.383 -4.941) 9.734 17.569 ( 1.349 5.305 -2.619) 6.068 17.972 ( 2.779 -4.934 3.655) 6.740 18.401 ( 1.111 -5.091 -5.416) 7.515 ======================= Grid point 173 (89/226) ======================= q-point: ( 0.55 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.712 ( 7.536 13.824 9.648) 18.466 3.032 ( 2.829 13.384 8.755) 16.242 3.511 ( -7.917 -2.460 6.994) 10.846 3.862 ( -2.275 0.774 -4.233) 4.868 4.526 ( -5.352 -18.412 -11.485) 22.351 4.980 ( -3.218 5.049 -7.711) 9.762 5.511 ( -13.850 -19.721 -3.355) 24.331 5.811 ( 12.651 -12.475 -17.015) 24.600 6.453 ( 3.675 -14.378 13.252) 19.896 6.618 ( 6.164 12.774 3.784) 14.680 7.217 ( -4.169 0.145 7.235) 8.351 7.831 ( 9.506 1.641 6.590) 11.683 8.356 ( 7.864 -1.466 2.121) 8.276 8.860 ( -1.934 -3.335 1.294) 4.066 9.119 ( -18.642 6.826 -7.916) 21.372 9.410 ( -7.158 1.528 1.184) 7.414 10.009 ( 3.113 5.727 -2.933) 7.148 10.421 ( 10.120 4.245 -2.840) 11.336 12.195 ( 0.578 -6.785 0.590) 6.835 12.726 ( 2.651 8.046 -4.375) 9.534 13.268 ( -5.276 13.909 3.723) 15.335 14.017 ( 4.760 8.386 -2.455) 9.951 14.136 ( -2.240 -15.731 18.747) 24.575 14.759 ( -0.462 -1.366 0.837) 1.667 15.314 ( -10.839 1.643 -8.796) 14.055 16.320 ( 1.584 7.963 7.437) 11.010 16.763 ( 4.740 -6.404 -7.861) 11.192 17.623 ( 1.329 3.933 -1.838) 4.540 18.012 ( 4.737 -3.599 2.887) 6.613 18.302 ( -2.708 -5.146 -6.014) 8.366 ======================= Grid point 174 (90/226) ======================= q-point: ( 0.64 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.042 ( 7.838 15.398 7.208) 18.722 3.191 ( -0.283 7.170 2.980) 7.769 3.364 ( -11.013 -5.686 5.744) 13.660 3.948 ( 10.114 8.184 2.177) 13.191 4.161 ( -10.111 -20.321 -6.601) 23.638 4.617 ( -20.986 -8.857 -4.274) 23.176 5.426 ( 14.759 -8.740 -8.704) 19.235 5.853 ( 12.437 -3.502 -14.533) 19.446 6.465 ( 3.191 -9.738 10.610) 14.750 6.783 ( 0.962 11.173 -4.490) 12.080 7.236 ( -4.218 4.136 11.390) 12.831 8.069 ( 7.980 2.216 9.022) 12.246 8.380 ( -5.736 -0.531 -2.916) 6.457 8.799 ( -10.946 -5.058 -7.140) 14.014 8.861 ( 0.928 2.023 3.239) 3.930 9.306 ( -5.849 -0.551 1.043) 5.967 10.088 ( 2.608 3.897 -1.767) 5.011 10.586 ( 6.769 3.722 -2.603) 8.152 12.130 ( 0.252 -6.733 -0.472) 6.754 12.797 ( -0.183 5.311 -2.505) 5.874 13.323 ( -5.139 12.718 1.244) 13.773 13.997 ( -4.262 -17.033 12.324) 21.451 14.193 ( 4.995 5.101 2.333) 7.511 14.645 ( -4.223 -8.550 -2.034) 9.750 15.208 ( -5.205 10.254 -5.338) 12.678 16.432 ( -0.079 0.372 8.099) 8.108 16.812 ( 8.870 3.767 -7.221) 12.042 17.664 ( 0.785 2.544 -0.330) 2.683 18.092 ( 6.112 -2.421 0.818) 6.625 18.158 ( -4.193 -4.215 -4.342) 7.362 ======================= Grid point 175 (91/226) ======================= q-point: (-0.27 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.090 ( -17.484 0.418 2.371) 17.649 3.192 ( -0.398 -1.865 -2.174) 2.892 3.375 ( 2.756 13.467 6.628) 15.260 3.690 ( -15.174 -21.425 -1.679) 26.308 4.294 ( 14.261 -0.646 1.709) 14.377 4.402 ( 7.823 6.501 0.394) 10.179 5.550 ( 15.762 -9.489 -9.026) 20.493 5.966 ( 9.579 1.337 -6.418) 11.608 6.496 ( 1.865 -3.801 6.040) 7.376 6.866 ( 2.656 11.286 -9.568) 15.032 7.242 ( -12.867 6.976 15.485) 21.308 7.928 ( -21.117 -0.407 -9.554) 23.181 8.367 ( 1.484 1.449 2.460) 3.218 8.623 ( 1.040 -9.554 1.855) 9.788 8.974 ( 7.328 0.116 2.404) 7.713 9.240 ( -1.397 -1.727 1.298) 2.573 10.137 ( 0.729 0.882 -0.260) 1.173 10.681 ( 2.285 3.362 -1.715) 4.412 12.087 ( 1.800 -5.051 -0.425) 5.379 12.804 ( -1.706 2.634 0.064) 3.139 13.350 ( -5.413 10.536 -1.175) 11.903 13.798 ( -6.055 -16.755 6.036) 18.810 14.223 ( -7.325 0.272 1.209) 7.429 14.607 ( 8.588 -2.225 -0.754) 8.904 15.200 ( -4.663 6.862 -0.350) 8.304 16.430 ( 1.235 -6.595 0.831) 6.761 17.000 ( 6.592 12.103 -3.451) 14.208 17.697 ( 0.896 0.971 1.570) 2.052 17.998 ( -5.238 -2.567 -4.468) 7.348 18.222 ( 8.291 -1.355 1.897) 8.612 ======================= Grid point 176 (92/226) ======================= q-point: (-0.18 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.774 ( -23.665 2.654 1.605) 23.868 3.034 ( -22.383 -14.415 -1.555) 26.668 3.211 ( 5.107 -4.242 -0.264) 6.644 3.773 ( 11.872 10.424 3.981) 16.292 4.439 ( 16.407 -5.805 -1.414) 17.461 4.848 ( 23.382 7.747 3.010) 24.815 5.623 ( 5.756 -4.439 -7.043) 10.121 6.098 ( 6.958 -0.316 1.647) 7.158 6.487 ( -6.576 0.437 4.250) 7.842 7.001 ( 7.279 14.006 -11.878) 19.755 7.077 ( -22.224 7.395 9.735) 25.365 7.624 ( -4.489 -1.261 -8.740) 9.906 8.312 ( -7.433 -0.569 2.388) 7.828 8.629 ( 4.309 -9.600 6.045) 12.135 9.100 ( 5.228 -0.481 2.104) 5.656 9.238 ( 4.021 -3.209 -1.582) 5.383 10.107 ( -3.307 -3.438 0.628) 4.812 10.706 ( -2.046 2.954 -0.927) 3.711 12.093 ( 3.151 -2.221 0.890) 3.957 12.806 ( -1.363 0.614 1.958) 2.464 13.321 ( -6.192 5.955 -3.316) 9.208 13.601 ( -2.522 -10.318 1.255) 10.696 14.073 ( -11.174 0.426 4.038) 11.889 14.749 ( 6.896 0.300 -0.606) 6.929 15.181 ( -1.616 0.685 1.662) 2.417 16.378 ( 2.382 -8.055 -4.136) 9.363 17.175 ( 2.139 13.544 -4.696) 14.493 17.731 ( 1.654 -1.397 1.539) 2.656 17.889 ( -4.608 0.830 0.268) 4.689 18.364 ( 8.955 -1.292 0.806) 9.083 ======================= Grid point 177 (93/226) ======================= q-point: (-0.09 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.371 ( -24.372 -3.158 -0.135) 24.576 2.571 ( -23.904 -1.532 6.028) 24.700 3.342 ( 12.072 -0.471 -1.208) 12.141 4.064 ( 9.847 8.446 -0.116) 12.973 4.710 ( 23.238 -9.307 2.171) 25.127 5.194 ( 14.541 -9.513 -13.541) 22.029 5.566 ( -12.413 13.022 10.039) 20.602 6.194 ( 4.908 -4.361 2.820) 7.146 6.386 ( -4.277 2.384 6.212) 7.910 6.923 ( -4.246 3.814 -5.928) 8.229 7.232 ( 9.353 16.456 -7.422) 20.331 7.585 ( -0.072 2.836 -0.653) 2.911 8.207 ( -7.225 -0.352 6.615) 9.802 8.621 ( 2.578 -8.957 3.395) 9.920 9.108 ( -3.226 -4.907 4.418) 7.348 9.310 ( 9.867 -1.815 -7.232) 12.367 9.970 ( -7.610 -6.786 0.890) 10.235 10.657 ( -5.909 1.985 -1.296) 6.367 12.164 ( 4.167 1.385 3.946) 5.904 12.737 ( -6.229 -3.163 -2.389) 7.383 13.221 ( -7.080 1.943 -5.365) 9.093 13.611 ( 7.646 -0.967 7.521) 10.769 13.926 ( -11.598 2.526 5.067) 12.906 14.779 ( -2.176 -0.787 -0.607) 2.392 15.214 ( 6.024 -2.929 1.384) 6.840 16.314 ( 2.885 -6.578 -7.460) 10.356 17.272 ( -0.657 11.864 -6.205) 13.404 17.706 ( -1.852 -2.003 -2.849) 3.945 17.892 ( -0.601 2.543 7.246) 7.703 18.488 ( 7.912 -2.500 -1.007) 8.359 ======================= Grid point 180 (94/226) ======================= q-point: ( 0.18 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.448 ( 3.545 21.968 8.360) 23.770 2.559 ( -11.138 13.130 12.783) 21.444 3.684 ( 9.051 -2.754 4.016) 10.278 4.037 ( -16.512 -0.591 -1.297) 16.574 4.421 ( 7.580 -9.211 -10.107) 15.635 4.852 ( 2.289 -17.783 -7.849) 19.573 5.606 ( 4.287 -4.023 0.472) 5.898 6.155 ( -3.839 4.495 0.755) 5.960 6.370 ( 1.158 -18.687 -5.221) 19.437 7.375 ( 4.763 7.532 0.718) 8.940 7.757 ( -4.589 -6.830 11.510) 14.149 8.001 ( 19.160 8.111 -1.496) 20.860 8.173 ( 1.499 3.238 1.322) 3.805 8.437 ( -10.523 -11.614 6.774) 17.074 8.754 ( -1.513 0.058 -0.240) 1.533 9.335 ( 7.583 2.483 -6.857) 10.521 9.657 ( -5.225 6.256 -0.759) 8.186 10.485 ( -6.197 5.588 -2.767) 8.791 12.057 ( -4.292 -5.146 -0.261) 6.706 12.859 ( -2.581 4.722 -6.418) 8.375 12.973 ( 6.308 10.227 6.662) 13.739 13.652 ( -14.163 7.585 0.856) 16.089 14.283 ( 2.130 -8.961 13.059) 15.980 14.644 ( 1.765 -1.274 0.206) 2.187 15.488 ( 8.920 -0.324 8.222) 12.135 16.182 ( 7.022 1.387 -13.140) 14.963 17.333 ( -4.803 4.244 -7.009) 9.498 17.631 ( -2.912 4.681 -2.486) 6.047 17.986 ( -1.880 -5.287 5.770) 8.049 18.295 ( 1.690 -7.118 -5.118) 8.929 ======================= Grid point 181 (95/226) ======================= q-point: ( 0.27 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.632 ( -6.133 14.173 12.992) 20.181 2.749 ( -1.540 17.355 12.447) 21.412 3.800 ( 3.024 -4.963 0.964) 5.891 3.885 ( -2.726 15.946 1.629) 16.259 4.284 ( -0.739 -15.969 -10.729) 19.253 4.738 ( 7.430 -10.048 -10.852) 16.551 5.651 ( 10.222 -14.160 -0.634) 17.476 6.148 ( -4.520 6.628 4.253) 9.081 6.170 ( 4.022 -24.132 -6.182) 25.234 7.444 ( 2.082 0.845 -2.015) 3.018 7.604 ( -12.869 -12.963 16.112) 24.357 7.963 ( -15.874 -9.011 -4.224) 18.735 8.196 ( -2.871 2.680 0.567) 3.968 8.613 ( 22.746 5.822 2.759) 23.640 8.832 ( 7.150 6.255 2.467) 9.815 9.416 ( 3.504 3.812 -4.754) 7.029 9.659 ( -3.839 10.181 -0.520) 10.893 10.416 ( -6.584 4.955 -3.050) 8.786 11.979 ( -0.809 -2.453 0.792) 2.701 12.925 ( 4.857 10.294 -2.410) 11.635 13.124 ( -2.351 2.790 2.390) 4.362 13.564 ( -8.995 18.877 0.508) 20.917 14.255 ( 0.214 -13.333 11.178) 17.400 14.661 ( 1.686 -2.675 0.494) 3.201 15.656 ( 3.988 0.468 11.643) 12.316 16.229 ( 7.575 -0.036 -16.670) 18.310 17.206 ( -7.521 -0.767 -8.922) 11.694 17.600 ( -4.211 5.101 -2.037) 6.921 17.942 ( -0.573 -6.377 5.746) 8.603 18.257 ( 3.878 -4.960 -2.799) 6.890 ======================= Grid point 182 (96/226) ======================= q-point: ( 0.36 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.713 ( -8.605 6.557 11.013) 15.437 2.845 ( -7.242 13.132 11.742) 19.047 3.831 ( 2.416 -2.522 -0.186) 3.497 4.015 ( -3.814 -0.509 -1.605) 4.169 4.223 ( 12.047 17.773 -5.813) 22.244 4.715 ( 8.296 -10.496 -12.235) 18.130 5.628 ( 8.517 -23.195 -1.563) 24.759 6.006 ( 7.516 -19.316 -3.814) 21.075 6.202 ( 0.545 4.284 5.737) 7.180 7.222 ( -26.991 -18.781 16.584) 36.828 7.473 ( 3.516 -2.338 -3.187) 5.290 7.648 ( -9.181 -2.739 -3.718) 10.277 8.164 ( -3.744 2.131 1.585) 4.590 8.833 ( 7.814 -4.582 -5.593) 10.646 9.194 ( 15.304 13.164 5.309) 20.873 9.532 ( 4.539 10.391 0.793) 11.367 9.687 ( -2.290 7.232 -1.967) 7.836 10.320 ( -6.997 2.769 -3.374) 8.246 11.996 ( 3.456 -0.040 0.954) 3.586 12.982 ( -10.101 -2.146 -2.202) 10.559 13.154 ( 5.460 15.317 0.359) 16.265 13.713 ( 0.144 21.826 -0.090) 21.826 14.200 ( 0.693 -13.908 12.678) 18.832 14.659 ( 1.455 -2.708 0.171) 3.079 15.759 ( -0.544 -0.907 11.155) 11.205 16.217 ( 3.137 1.065 -16.627) 16.954 16.980 ( -8.343 -6.322 -7.443) 12.844 17.581 ( -2.581 5.671 -2.243) 6.622 17.915 ( 0.567 -6.179 5.003) 7.971 18.281 ( 4.942 -3.767 -2.067) 6.549 ======================= Grid point 183 (97/226) ======================= q-point: ( 0.45 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.650 ( -6.221 3.090 6.203) 9.312 2.973 ( -0.846 11.956 8.495) 14.691 3.758 ( -4.319 -6.986 4.914) 9.570 3.990 ( -2.263 6.630 -2.090) 7.310 4.566 ( 4.540 3.383 -9.167) 10.775 4.679 ( 10.485 4.621 -10.602) 15.611 5.494 ( 6.528 -20.361 -7.921) 22.802 6.045 ( 12.925 -13.408 3.428) 18.937 6.253 ( -2.422 -5.322 4.467) 7.358 6.679 ( -23.289 -12.306 13.828) 29.749 7.410 ( -4.778 -3.477 -0.003) 5.910 7.606 ( 3.308 1.522 0.457) 3.670 8.159 ( 0.449 1.087 1.858) 2.199 8.836 ( 3.319 -5.552 -4.207) 7.716 9.487 ( 3.833 9.182 -0.077) 9.951 9.630 ( -7.614 9.856 -1.615) 12.559 9.801 ( 9.709 5.827 1.046) 11.371 10.224 ( -2.703 1.147 -3.256) 4.384 12.085 ( 5.416 -0.139 1.322) 5.576 12.789 ( -8.074 0.951 -4.525) 9.305 13.366 ( 1.799 13.298 1.351) 13.487 13.912 ( 1.513 16.794 -2.891) 17.108 14.168 ( 0.598 -13.738 16.214) 21.259 14.683 ( 3.321 -0.092 0.416) 3.348 15.689 ( -8.836 -4.657 -1.713) 10.134 16.231 ( 3.352 7.359 -4.075) 9.055 16.764 ( -4.458 -8.408 -4.413) 10.490 17.595 ( -0.458 5.061 -2.428) 5.631 17.903 ( 1.765 -5.751 4.047) 7.251 18.298 ( 2.664 -3.715 -2.907) 5.418 ======================= Grid point 184 (98/226) ======================= q-point: ( 0.55 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.712 ( 6.157 4.675 3.440) 8.461 3.121 ( 2.543 6.897 4.723) 8.737 3.660 ( -5.887 -2.957 4.950) 8.240 4.001 ( -6.413 11.363 1.867) 13.180 4.372 ( -4.141 -16.708 -8.782) 19.325 4.917 ( 8.087 11.162 -9.196) 16.569 5.419 ( 7.011 -8.501 -13.509) 17.433 5.720 ( -25.780 -19.088 1.273) 32.102 6.287 ( 10.641 -12.865 13.616) 21.544 6.636 ( 5.505 5.965 5.869) 10.017 7.330 ( -4.100 0.504 4.961) 6.455 7.718 ( 8.187 0.199 2.800) 8.655 8.224 ( 6.012 -0.168 -0.523) 6.037 8.812 ( 1.780 -5.037 0.117) 5.343 9.462 ( -15.327 6.397 -3.391) 16.951 9.546 ( -7.287 4.459 -3.972) 9.421 9.960 ( 5.177 2.491 -3.012) 6.487 10.286 ( 8.351 2.959 0.258) 8.863 12.134 ( 1.116 -3.950 0.916) 4.206 12.730 ( 0.756 5.536 -4.276) 7.036 13.474 ( -2.209 10.577 -0.830) 10.837 14.031 ( 0.428 7.499 -3.824) 8.429 14.139 ( -0.997 -11.887 19.010) 22.443 14.736 ( 1.415 -3.070 1.209) 3.590 15.448 ( -9.914 2.399 -12.059) 15.794 16.404 ( 4.527 9.166 8.914) 13.564 16.621 ( -0.239 -6.945 -4.895) 8.501 17.628 ( 0.870 3.720 -1.979) 4.303 17.917 ( 3.625 -4.926 3.030) 6.826 18.257 ( -0.945 -3.548 -3.725) 5.231 ======================= Grid point 185 (99/226) ======================= q-point: ( 0.64 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.960 ( 14.446 4.821 2.666) 15.461 3.213 ( 1.818 -0.603 0.432) 1.964 3.547 ( -8.263 -0.048 1.121) 8.339 4.026 ( -4.715 3.479 3.021) 6.592 4.111 ( -5.522 -2.452 -4.214) 7.366 4.906 ( -25.821 -7.770 -5.059) 27.435 5.128 ( 5.406 -5.788 -2.660) 8.355 5.586 ( 11.152 0.233 -4.860) 12.167 6.379 ( 4.988 -8.140 9.915) 13.764 6.810 ( 4.355 6.690 -3.515) 8.722 7.353 ( -0.159 2.663 7.964) 8.399 7.928 ( 13.572 -0.036 6.864) 15.209 8.319 ( 6.716 -1.532 -3.583) 7.764 8.800 ( 0.187 -5.724 5.221) 7.750 9.127 ( -23.531 3.677 -10.388) 25.984 9.423 ( -7.994 1.090 -2.017) 8.317 10.035 ( 4.496 0.655 -2.195) 5.046 10.474 ( 9.181 3.010 0.336) 9.668 12.079 ( -1.261 -5.409 -0.053) 5.554 12.810 ( 2.589 6.203 -3.756) 7.699 13.509 ( -3.198 8.971 -1.840) 9.700 13.963 ( -3.463 -14.044 5.742) 15.563 14.212 ( 2.093 4.675 9.124) 10.464 14.619 ( -5.431 -10.947 -2.484) 12.470 15.343 ( -3.788 11.300 -10.454) 15.853 16.469 ( -2.969 -7.136 6.037) 9.807 16.723 ( 9.263 12.637 1.880) 15.780 17.664 ( 1.172 1.796 -1.051) 2.388 17.967 ( 5.794 -3.982 1.730) 7.240 18.164 ( -3.628 -2.482 -3.497) 5.617 ======================= Grid point 186 (100/226) ======================= q-point: (-0.27 -0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.102 ( -0.674 -7.836 -0.896) 7.916 3.325 ( 13.974 2.361 2.017) 14.315 3.409 ( -9.738 5.897 -3.199) 11.825 3.778 ( -14.826 -14.960 -1.885) 21.146 4.224 ( 1.918 11.690 3.182) 12.266 4.412 ( -10.921 -4.825 -1.572) 12.043 5.278 ( 9.857 4.101 1.103) 10.733 5.788 ( 11.761 2.697 0.710) 12.087 6.440 ( 4.338 -4.601 5.983) 8.705 6.871 ( 1.403 8.221 -10.703) 13.568 7.442 ( 0.786 3.470 8.811) 9.502 8.174 ( 3.082 -0.494 4.539) 5.508 8.319 ( -2.057 -1.321 -2.712) 3.651 8.604 ( -12.538 -7.824 -4.376) 15.413 8.884 ( 0.289 -1.011 -2.160) 2.402 9.308 ( -5.882 0.938 0.504) 5.977 10.090 ( 3.410 -1.660 -0.717) 3.860 10.631 ( 6.302 2.144 0.606) 6.684 12.023 ( 0.438 -3.929 -0.126) 3.956 12.849 ( -0.981 3.507 -2.602) 4.476 13.518 ( -4.460 7.224 -1.817) 8.682 13.767 ( -5.644 -15.674 3.513) 17.025 14.355 ( -1.346 6.813 5.165) 8.654 14.429 ( 2.717 -10.166 -3.019) 10.947 15.332 ( -4.125 7.820 -6.174) 10.783 16.382 ( -2.425 -6.953 3.471) 8.141 17.019 ( 7.232 15.170 2.851) 17.046 17.684 ( 1.165 -0.932 -0.289) 1.520 18.016 ( 0.531 -2.806 -1.390) 3.176 18.102 ( 2.796 -0.566 0.408) 2.882 ======================= Grid point 187 (101/226) ======================= q-point: (-0.18 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.041 ( 2.709 -4.412 -0.481) 5.199 3.201 ( -19.645 2.341 -1.193) 19.820 3.235 ( -18.042 -17.132 -0.415) 24.883 3.696 ( 15.835 6.598 2.151) 17.289 4.218 ( -0.211 1.287 -1.050) 1.674 4.567 ( 15.336 3.741 -3.447) 16.158 5.536 ( 9.031 12.418 6.415) 16.641 5.997 ( 8.031 -0.084 7.427) 10.939 6.499 ( 3.743 -3.888 2.870) 6.113 6.936 ( 5.080 12.754 -16.514) 21.475 7.543 ( -0.428 4.483 11.056) 11.938 7.740 ( -32.749 -2.977 -10.333) 34.469 8.374 ( 0.670 -2.886 0.140) 2.966 8.516 ( 4.384 -6.206 5.551) 9.410 8.913 ( 8.350 -3.548 -5.140) 10.427 9.251 ( -3.914 0.380 2.740) 4.793 10.090 ( 0.209 -5.323 0.533) 5.354 10.723 ( 2.263 0.981 0.811) 2.597 12.029 ( 3.141 -1.057 0.888) 3.431 12.841 ( -1.267 1.049 0.007) 1.645 13.441 ( -6.825 -3.525 -0.392) 7.691 13.578 ( -4.082 -3.512 -2.513) 5.942 14.264 ( -7.081 0.389 1.395) 7.227 14.571 ( 11.110 -0.563 0.793) 11.153 15.264 ( -5.925 1.511 -3.525) 7.058 16.301 ( -2.187 -5.632 2.409) 6.504 17.251 ( 2.700 14.828 -2.341) 15.253 17.684 ( 1.705 -3.401 -0.040) 3.805 17.972 ( -2.780 1.147 2.200) 3.727 18.204 ( 8.142 -1.446 0.158) 8.271 ======================= Grid point 188 (102/226) ======================= q-point: (-0.09 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.658 ( -21.911 -14.108 0.691) 26.069 2.990 ( -18.805 6.672 3.598) 20.275 3.154 ( 11.008 -1.302 -0.343) 11.090 4.021 ( 10.003 9.379 3.054) 14.049 4.294 ( 12.451 -4.002 -1.991) 13.229 4.784 ( 15.634 -4.508 -9.610) 18.897 5.852 ( 3.045 18.210 7.940) 20.097 6.130 ( 3.677 -1.611 9.622) 10.425 6.487 ( -1.981 -6.822 2.707) 7.602 7.014 ( -5.686 1.592 -10.737) 12.254 7.244 ( -6.701 12.110 -17.565) 22.362 7.646 ( -0.842 4.717 11.550) 12.505 8.312 ( -3.008 -4.694 1.614) 5.804 8.542 ( 0.942 -4.042 5.662) 7.020 9.030 ( 12.341 -3.029 -5.807) 13.971 9.184 ( -5.190 -2.388 1.485) 5.903 9.998 ( -4.019 -8.035 1.152) 9.058 10.728 ( -2.102 -0.390 -0.188) 2.146 12.121 ( 5.646 2.298 3.512) 7.035 12.784 ( -5.144 -3.407 -2.387) 6.616 13.299 ( -4.767 -2.843 -1.977) 5.892 13.554 ( 3.061 2.321 2.995) 4.871 14.162 ( -9.108 2.508 2.984) 9.907 14.724 ( 7.208 -1.063 -1.226) 7.388 15.152 ( -2.999 -3.166 -1.835) 4.731 16.231 ( -1.759 -3.980 0.476) 4.377 17.363 ( -0.850 12.523 -6.918) 14.332 17.674 ( 1.018 -3.118 -1.113) 3.463 17.984 ( -1.629 2.473 6.893) 7.503 18.317 ( 7.989 -2.662 -1.751) 8.601 ======================= Grid point 191 (103/226) ======================= q-point: ( 0.18 0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.536 ( 11.262 15.748 3.502) 19.675 2.906 ( -11.663 7.323 8.199) 16.027 3.510 ( 13.538 -5.186 3.153) 14.836 4.038 ( -2.713 -16.902 0.783) 17.136 4.413 ( -9.444 11.801 -3.400) 15.492 4.608 ( 3.368 -15.571 -4.585) 16.577 5.622 ( -8.278 2.497 -10.824) 13.853 6.147 ( -3.466 -18.482 -9.283) 20.971 6.342 ( -4.969 4.682 8.971) 11.273 7.342 ( 8.573 6.569 3.763) 11.437 7.588 ( 21.671 0.231 -12.167) 24.854 7.878 ( -0.805 -4.713 12.664) 13.537 8.154 ( 4.633 6.903 -5.531) 9.985 8.587 ( -12.356 -12.739 11.624) 21.215 8.856 ( -8.188 2.921 3.871) 9.516 9.183 ( 8.675 2.382 -5.037) 10.310 9.776 ( -1.895 6.668 0.147) 6.933 10.595 ( -3.835 3.999 -3.597) 6.606 12.083 ( -4.538 -4.843 -0.503) 6.656 12.885 ( -0.479 0.290 -2.468) 2.530 13.004 ( 4.351 10.810 2.579) 11.934 13.855 ( -3.703 -2.236 4.806) 6.466 14.304 ( 0.408 -1.539 11.551) 11.661 14.612 ( -2.533 -2.631 -1.047) 3.800 15.321 ( 14.401 0.764 2.516) 14.639 16.096 ( -1.305 2.092 -4.679) 5.289 17.415 ( -5.459 4.713 -8.363) 11.043 17.668 ( 1.053 2.117 -1.336) 2.716 18.008 ( -1.844 -5.729 3.955) 7.202 18.197 ( -1.007 -2.796 -4.615) 5.489 ======================= Grid point 192 (104/226) ======================= q-point: ( 0.27 0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.891 ( -4.382 8.882 7.235) 12.265 2.928 ( 7.802 19.052 5.782) 21.384 3.681 ( 7.727 -4.283 6.770) 11.131 3.884 ( 5.469 -15.525 1.880) 16.567 4.246 ( -11.609 3.247 -10.501) 15.987 4.531 ( 2.283 -6.482 -2.159) 7.203 5.484 ( -2.216 -1.858 -9.237) 9.679 5.849 ( 0.249 -24.041 -9.428) 25.825 6.354 ( -6.604 6.182 8.596) 12.479 7.380 ( 1.367 -3.576 -4.798) 6.139 7.691 ( -1.977 -8.180 5.024) 9.801 8.131 ( 0.142 0.595 5.320) 5.355 8.260 ( 1.100 4.767 -1.286) 5.059 8.319 ( 5.699 -3.701 1.647) 6.992 8.855 ( 0.132 5.950 7.103) 9.267 9.305 ( 7.923 0.861 -4.475) 9.140 9.817 ( -3.164 9.549 0.033) 10.060 10.538 ( -5.373 4.338 -3.836) 7.900 11.992 ( -2.449 -2.524 1.443) 3.801 12.902 ( 4.134 5.455 -3.707) 7.784 13.190 ( 1.642 6.138 3.938) 7.475 13.828 ( -3.583 6.896 2.254) 8.091 14.265 ( -6.532 -6.393 11.373) 14.590 14.584 ( 3.045 -5.135 -0.413) 5.984 15.572 ( 12.610 -1.482 4.452) 13.455 16.087 ( 0.944 4.340 -7.565) 8.773 17.270 ( -8.089 -0.445 -10.839) 13.532 17.679 ( -1.366 2.415 -0.800) 2.888 17.953 ( -2.734 -3.652 4.903) 6.698 18.147 ( 2.135 -3.313 -3.073) 4.998 ======================= Grid point 193 (105/226) ======================= q-point: ( 0.36 0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.941 ( -5.305 5.776 5.856) 9.788 3.113 ( -6.127 8.521 6.574) 12.384 3.771 ( 4.123 -2.843 5.245) 7.252 3.900 ( 5.759 -10.803 -1.197) 12.301 4.223 ( 10.039 18.876 -8.610) 23.048 4.497 ( 1.429 -5.259 -2.273) 5.904 5.364 ( -0.394 -12.058 -4.877) 13.013 5.647 ( 7.431 -18.096 -6.315) 20.557 6.344 ( -5.829 3.565 6.932) 9.733 7.337 ( 2.792 -7.358 -3.174) 8.486 7.536 ( -14.220 -14.040 15.159) 25.082 7.797 ( -16.665 -1.732 -7.219) 18.243 8.271 ( -3.445 4.638 0.719) 5.822 8.616 ( 12.096 0.204 -4.651) 12.961 9.098 ( 13.371 9.966 8.277) 18.617 9.441 ( 10.448 1.926 -2.208) 10.851 9.839 ( -4.894 9.154 -0.763) 10.408 10.449 ( -7.359 2.907 -2.814) 8.398 11.974 ( 0.518 0.027 1.896) 1.965 13.027 ( 2.826 -0.329 0.680) 2.925 13.220 ( -1.514 10.634 -5.023) 11.857 13.911 ( 0.512 11.559 1.840) 11.716 14.174 ( -4.033 -7.627 12.664) 15.324 14.584 ( 3.218 -5.274 0.378) 6.190 15.728 ( 7.236 -5.057 0.599) 8.849 16.124 ( 1.876 6.967 -4.673) 8.596 17.021 ( -9.848 -5.696 -10.344) 15.376 17.667 ( -2.784 3.894 -1.333) 4.969 17.903 ( -2.141 -3.918 4.342) 6.228 18.171 ( 4.301 -1.825 -0.515) 4.701 ======================= Grid point 194 (106/226) ======================= q-point: ( 0.45 0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.822 ( -11.139 -1.072 1.108) 11.245 3.127 ( -2.953 5.698 3.922) 7.521 3.747 ( 0.018 -7.055 1.685) 7.253 4.009 ( 6.740 3.474 4.484) 8.810 4.416 ( 1.542 -9.175 -6.166) 11.161 4.639 ( 11.573 27.473 -9.112) 31.173 5.214 ( 1.997 -13.308 -3.011) 13.790 5.694 ( 15.543 -11.371 4.744) 19.834 6.304 ( -5.058 -2.787 5.033) 7.660 7.039 ( -26.622 -17.774 11.225) 33.921 7.349 ( 3.926 -3.575 -5.659) 7.760 7.636 ( -3.852 2.154 -1.154) 4.562 8.235 ( -5.373 2.255 1.844) 6.111 8.702 ( 4.963 -1.889 -3.487) 6.353 9.433 ( 10.738 8.017 -0.029) 13.401 9.656 ( 12.706 1.278 -0.803) 12.795 9.830 ( -5.624 9.224 0.026) 10.803 10.319 ( -8.507 1.020 -1.231) 8.656 12.028 ( 3.340 1.469 1.832) 4.083 12.909 ( -9.167 -2.878 -1.017) 9.662 13.377 ( 7.103 11.739 -8.613) 16.200 14.028 ( 2.072 3.025 1.806) 4.087 14.153 ( -2.055 -2.772 14.357) 14.766 14.613 ( 4.322 -1.704 0.882) 4.728 15.698 ( -1.261 -5.957 -9.165) 11.003 16.241 ( 3.530 8.756 3.999) 10.253 16.756 ( -7.395 -7.413 -6.476) 12.312 17.652 ( -2.418 4.370 -1.933) 5.356 17.864 ( -0.498 -4.741 3.935) 6.181 18.221 ( 2.831 -0.727 0.018) 2.923 ======================= Grid point 195 (107/226) ======================= q-point: ( 0.55 0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.691 ( -1.641 -0.603 -1.480) 2.291 3.156 ( 0.192 1.706 1.112) 2.046 3.687 ( -0.813 -5.738 -0.217) 5.799 4.171 ( 1.826 7.883 5.232) 9.636 4.265 ( -3.743 -10.510 -4.185) 11.916 4.938 ( 2.007 21.423 -7.743) 22.868 5.196 ( 7.549 -0.912 -4.991) 9.096 5.921 ( 0.206 -4.119 3.354) 5.316 6.087 ( -4.656 -19.162 14.195) 24.297 6.654 ( -5.582 -5.351 2.505) 8.128 7.366 ( 2.880 -1.252 -1.137) 3.340 7.639 ( 1.972 0.805 2.187) 3.053 8.182 ( -1.734 -0.244 -0.981) 2.008 8.743 ( 2.794 -0.682 0.959) 3.032 9.567 ( 0.584 3.367 -6.218) 7.095 9.760 ( -6.978 5.451 0.171) 8.856 9.846 ( 4.567 -0.020 -6.288) 7.771 10.247 ( 0.067 2.096 4.057) 4.567 12.096 ( 1.674 -0.599 1.320) 2.215 12.773 ( -3.926 1.856 -1.559) 4.614 13.500 ( 4.141 6.863 -10.992) 13.604 14.032 ( 0.045 -9.045 4.269) 10.002 14.215 ( -1.165 2.676 13.014) 13.337 14.676 ( 2.683 -2.339 0.140) 3.562 15.517 ( -5.887 0.502 -14.831) 15.964 16.451 ( 6.355 9.897 8.976) 14.796 16.576 ( -3.570 -6.607 -1.382) 7.636 17.650 ( -1.009 3.572 -1.993) 4.214 17.846 ( 1.328 -4.883 3.293) 6.038 18.237 ( -0.478 -0.064 -0.413) 0.635 ======================= Grid point 196 (108/226) ======================= q-point: (-0.36 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.756 ( 10.983 -0.201 -3.106) 11.415 3.161 ( 1.131 -4.522 -1.525) 4.904 3.611 ( -1.896 -2.108 -3.651) 4.623 4.044 ( -6.897 -8.219 -2.884) 11.110 4.299 ( -3.122 12.132 4.932) 13.463 5.097 ( 0.561 14.713 2.583) 14.949 5.275 ( -17.466 2.542 -8.105) 19.422 5.449 ( -4.713 -12.395 8.055) 15.515 6.255 ( 8.531 -6.075 9.558) 14.179 6.700 ( 9.976 0.047 -3.545) 10.587 7.404 ( 1.042 1.545 3.192) 3.696 7.752 ( 9.848 -1.326 4.483) 10.902 8.180 ( 4.264 -1.017 -4.265) 6.116 8.789 ( 0.737 -0.382 5.054) 5.122 9.426 ( -15.832 -2.437 -8.419) 18.097 9.566 ( -10.771 3.732 -6.868) 13.308 9.927 ( 6.796 -1.660 -1.712) 7.202 10.375 ( 6.947 2.644 4.398) 8.637 12.068 ( -2.382 -3.524 0.436) 4.275 12.803 ( 2.556 5.865 -1.822) 6.653 13.537 ( 2.867 3.523 -9.929) 10.919 13.924 ( -3.394 -12.088 3.724) 13.096 14.295 ( -0.345 -1.044 12.056) 12.106 14.593 ( -4.723 -7.128 -3.560) 9.262 15.414 ( -1.901 9.023 -14.066) 16.819 16.479 ( -2.614 -3.999 1.686) 5.066 16.741 ( 8.700 11.331 11.529) 18.358 17.658 ( -0.002 1.699 -1.842) 2.506 17.857 ( 3.634 -4.609 2.170) 6.258 18.202 ( -3.555 0.808 -0.579) 3.691 ======================= Grid point 197 (109/226) ======================= q-point: (-0.27 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.961 ( 14.312 -4.734 -3.185) 15.407 3.074 ( 2.931 -9.008 -6.403) 11.434 3.541 ( -4.329 2.512 -6.066) 7.864 3.871 ( -8.406 -2.455 0.583) 8.776 4.367 ( -3.474 10.270 1.436) 10.936 4.706 ( -28.006 -7.627 5.837) 29.607 5.308 ( 3.480 15.560 8.329) 17.989 5.646 ( 11.882 5.458 4.519) 13.835 6.329 ( 5.351 -7.801 3.833) 10.207 6.820 ( 5.369 5.287 -10.547) 12.963 7.472 ( 2.164 2.027 4.410) 5.314 7.982 ( 15.378 -2.215 5.273) 16.407 8.241 ( 6.401 -0.687 -4.288) 7.735 8.774 ( -8.399 -4.211 4.502) 10.419 8.987 ( -19.449 -3.515 -10.969) 22.604 9.432 ( -6.772 2.956 -2.626) 7.842 9.995 ( 4.891 -3.537 0.028) 6.036 10.540 ( 7.483 1.267 3.213) 8.242 11.999 ( -1.544 -3.023 0.410) 3.419 12.873 ( 0.356 4.731 -3.416) 5.847 13.556 ( 2.282 -2.117 -3.763) 4.883 13.755 ( -5.823 -6.983 -0.515) 9.107 14.253 ( 0.590 -15.046 0.275) 15.060 14.500 ( -3.219 5.607 3.392) 7.301 15.397 ( -1.762 7.007 -11.279) 13.395 16.421 ( -3.798 -1.908 5.146) 6.674 17.068 ( 8.184 13.209 9.143) 18.030 17.650 ( 0.060 -1.344 -2.321) 2.682 17.903 ( 5.646 -4.344 0.965) 7.189 18.148 ( -4.035 2.595 0.698) 4.848 ======================= Grid point 198 (110/226) ======================= q-point: (-0.18 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.897 ( 2.666 -11.066 -4.982) 12.425 3.194 ( 9.590 -14.138 -3.808) 17.503 3.451 ( -3.569 3.913 -5.467) 7.612 3.634 ( -15.515 3.767 0.446) 15.972 4.414 ( -2.702 3.993 3.281) 5.832 4.448 ( -6.791 8.948 4.103) 11.960 5.608 ( 7.062 17.202 9.740) 20.992 5.920 ( 9.797 2.063 12.820) 16.266 6.352 ( 6.052 -9.688 -0.188) 11.425 6.881 ( 3.625 12.438 -17.834) 22.043 7.544 ( 1.891 0.632 0.224) 2.006 8.178 ( -8.494 -2.237 2.056) 9.021 8.278 ( -0.080 -1.608 -0.462) 1.675 8.391 ( -2.661 -6.773 -6.645) 9.854 8.820 ( -2.152 -2.957 1.044) 3.803 9.363 ( -5.378 3.267 1.110) 6.389 10.015 ( 2.656 -6.673 1.529) 7.343 10.668 ( 5.265 -0.717 2.401) 5.831 11.986 ( 1.797 -0.444 1.351) 2.291 12.869 ( -1.522 1.755 -2.579) 3.471 13.447 ( -4.305 -13.845 2.276) 14.677 13.651 ( -5.047 6.168 -6.813) 10.484 14.172 ( 7.934 -11.087 -4.736) 14.432 14.554 ( -1.241 5.150 6.115) 8.090 15.331 ( -4.490 2.372 -8.717) 10.088 16.369 ( -5.583 -1.043 7.363) 9.299 17.336 ( 3.563 13.874 1.769) 14.433 17.614 ( 1.255 -4.302 -1.992) 4.904 17.959 ( 4.986 -4.004 1.158) 6.498 18.152 ( -0.547 4.302 2.747) 5.133 ======================= Grid point 199 (111/226) ======================= q-point: (-0.09 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.798 ( -6.717 -19.814 -4.283) 21.356 2.965 ( -0.033 -7.210 2.232) 7.548 3.336 ( -12.425 7.219 -1.185) 14.419 3.789 ( 17.672 7.004 -0.269) 19.011 4.394 ( -9.569 12.770 2.730) 16.189 4.541 ( 6.109 1.631 -1.717) 6.552 5.945 ( 8.423 10.710 7.902) 15.751 6.158 ( 5.820 3.968 18.152) 19.471 6.329 ( 5.386 -13.203 -2.738) 14.520 6.986 ( 4.907 15.826 -20.537) 26.388 7.397 ( -15.351 -3.663 -17.143) 23.301 7.853 ( -10.356 1.804 9.467) 14.146 8.257 ( -0.057 -6.389 -2.757) 6.958 8.522 ( 8.036 -0.404 6.847) 10.565 8.813 ( 4.781 -1.281 -1.171) 5.086 9.296 ( -7.154 1.069 1.815) 7.457 9.969 ( -0.787 -8.794 2.654) 9.219 10.718 ( 1.577 -2.656 0.668) 3.160 12.072 ( 5.471 2.764 3.487) 7.052 12.815 ( -4.159 -2.350 -3.613) 5.989 13.293 ( -1.210 -8.503 3.216) 9.171 13.594 ( -3.068 5.813 -4.187) 7.794 14.199 ( 5.584 -5.471 -3.439) 8.541 14.625 ( 2.435 2.003 3.553) 4.750 15.200 ( -6.661 -0.460 -5.801) 8.845 16.301 ( -6.522 -1.373 7.167) 9.787 17.451 ( -1.038 11.774 -8.232) 14.404 17.609 ( 2.579 -3.797 1.395) 4.797 18.013 ( 4.152 -3.011 3.251) 6.072 18.221 ( 1.478 3.676 2.136) 4.501 ======================= Grid point 202 (112/226) ======================= q-point: ( 0.18 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.463 ( 13.639 9.323 4.148) 17.034 3.134 ( 9.289 -7.976 -2.067) 12.417 3.204 ( -0.767 -0.040 7.930) 7.967 4.048 ( -10.405 -4.485 -1.803) 11.473 4.423 ( 0.837 -8.838 1.321) 8.975 4.781 ( -16.924 15.118 4.341) 23.105 5.746 ( -10.564 3.676 -12.950) 17.112 5.970 ( -4.562 -21.492 -11.646) 24.866 6.433 ( 8.027 4.075 5.526) 10.563 7.131 ( 17.694 -0.237 -7.152) 19.086 7.315 ( 4.223 4.014 -2.558) 6.363 7.921 ( -1.982 -4.347 7.197) 8.638 8.089 ( 7.390 7.670 -5.965) 12.208 8.696 ( -7.892 -15.032 13.129) 21.463 9.055 ( 6.032 1.967 -1.626) 6.550 9.103 ( -11.197 6.338 4.180) 13.528 9.847 ( 1.277 6.167 1.068) 6.387 10.644 ( -0.552 2.984 -3.667) 4.760 12.102 ( -3.778 -4.231 -1.985) 6.009 12.861 ( 2.566 -0.682 2.918) 3.945 13.078 ( -0.295 10.635 -1.535) 10.749 13.823 ( 3.195 -10.168 7.366) 12.956 14.233 ( 10.275 -4.826 4.364) 12.161 14.713 ( -6.800 1.238 0.121) 6.913 15.133 ( 7.971 2.899 -0.752) 8.515 16.189 ( -6.347 3.378 3.709) 8.090 17.501 ( -5.979 4.176 -8.803) 11.431 17.628 ( 3.812 -0.290 -0.230) 3.830 17.939 ( 3.551 -5.665 -0.246) 6.691 18.257 ( -7.322 1.677 -1.980) 7.768 ======================= Grid point 203 (113/226) ======================= q-point: ( 0.27 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.901 ( 18.322 18.334 2.994) 26.092 3.054 ( -4.834 0.132 3.448) 5.939 3.418 ( 17.163 -8.319 5.066) 19.735 3.819 ( -9.178 -7.628 1.968) 12.095 4.315 ( -3.357 -7.675 -2.767) 8.822 4.638 ( -14.313 5.322 3.724) 15.718 5.535 ( -9.406 5.044 -14.114) 17.695 5.634 ( -5.310 -16.219 -9.046) 19.316 6.531 ( -3.329 2.131 6.633) 7.721 7.234 ( 7.351 -6.362 -15.226) 18.065 7.547 ( 13.716 -1.496 3.887) 14.334 8.005 ( 9.835 3.459 11.288) 15.366 8.238 ( 5.246 7.348 -4.200) 9.958 8.440 ( -13.792 -13.721 6.393) 20.478 9.029 ( -7.923 5.790 8.214) 12.797 9.149 ( 7.076 -0.480 -4.767) 8.545 9.936 ( -0.451 8.491 0.615) 8.526 10.628 ( -3.031 4.360 -3.752) 6.502 12.017 ( -2.282 -2.200 0.515) 3.211 12.863 ( 1.939 1.588 -2.935) 3.860 13.244 ( 2.818 8.398 4.477) 9.925 13.831 ( 3.724 -6.934 5.572) 9.643 14.346 ( 5.667 -5.388 5.461) 9.537 14.563 ( -10.031 -0.851 0.416) 10.075 15.327 ( 13.391 -0.082 -3.512) 13.844 16.169 ( -4.344 6.381 3.575) 8.507 17.333 ( -8.598 -1.737 -10.550) 13.720 17.678 ( 2.265 -0.068 0.483) 2.317 17.970 ( 2.796 -0.814 2.536) 3.862 18.133 ( -5.938 -0.056 -3.305) 6.796 ======================= Grid point 204 (114/226) ======================= q-point: ( 0.36 0.64 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.052 ( -0.213 1.803 3.931) 4.330 3.284 ( 0.024 10.951 0.023) 10.951 3.616 ( 14.831 -8.133 -0.040) 16.915 3.713 ( 3.484 -4.344 8.019) 9.763 4.208 ( -0.381 7.156 -5.390) 8.967 4.478 ( -4.076 -9.587 2.051) 10.617 5.348 ( -8.244 -2.273 -3.141) 9.110 5.444 ( -1.482 0.781 -9.409) 9.557 6.492 ( -5.499 -1.219 5.438) 7.830 7.184 ( 3.992 -6.244 -9.124) 11.755 7.616 ( -1.073 -9.771 9.423) 13.617 8.035 ( -19.690 -9.742 -2.850) 22.152 8.339 ( 3.826 4.525 1.302) 6.067 8.400 ( 13.944 8.808 -1.515) 16.562 9.078 ( 3.180 3.360 10.184) 11.186 9.248 ( 9.689 -0.346 -4.893) 10.860 9.986 ( -3.137 7.808 0.052) 8.415 10.578 ( -5.826 3.992 -2.095) 7.367 11.989 ( -0.621 -0.035 1.813) 1.916 12.946 ( 6.193 2.158 -1.848) 6.813 13.318 ( -2.665 5.735 -1.633) 6.532 13.882 ( 5.521 -6.681 5.796) 10.427 14.357 ( -9.102 3.933 6.176) 11.682 14.460 ( 4.805 -6.811 0.789) 8.373 15.487 ( 11.375 -3.377 -7.894) 14.252 16.211 ( -1.804 7.378 5.761) 9.533 17.074 ( -10.527 -5.268 -10.054) 15.481 17.708 ( 0.428 0.757 0.580) 1.046 17.973 ( -5.734 0.764 1.134) 5.895 18.095 ( 4.076 0.256 0.278) 4.093 ======================= Grid point 205 (115/226) ======================= q-point: ( 0.45 0.64 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.998 ( -11.041 -2.712 -0.539) 11.381 3.219 ( -3.431 -1.148 0.778) 3.701 3.647 ( 2.127 -7.708 -2.499) 8.378 3.917 ( 11.917 3.727 4.436) 13.251 4.296 ( 0.042 -9.556 -1.736) 9.713 4.558 ( 18.754 18.795 -4.901) 27.000 5.229 ( -7.650 3.696 5.775) 10.273 5.461 ( 5.992 1.636 -0.002) 6.211 6.402 ( -6.190 -3.946 4.607) 8.667 7.158 ( 4.173 -5.748 -4.027) 8.165 7.358 ( -20.941 -20.956 7.556) 30.574 7.717 ( -5.921 2.658 -7.511) 9.927 8.358 ( -5.080 1.511 0.845) 5.367 8.614 ( 5.644 5.445 -1.675) 8.019 9.313 ( 12.359 3.303 4.161) 13.453 9.408 ( 13.520 -0.952 -4.133) 14.169 9.993 ( -4.405 7.023 0.704) 8.320 10.482 ( -8.892 2.253 0.314) 9.178 12.019 ( 1.540 1.947 2.208) 3.323 12.988 ( -2.524 -3.174 0.596) 4.099 13.321 ( 2.034 8.417 -11.654) 14.519 13.929 ( 5.339 -10.841 6.959) 13.945 14.293 ( -4.290 0.456 6.020) 7.406 14.538 ( 4.892 2.174 1.832) 5.658 15.532 ( 5.819 -4.215 -12.509) 14.426 16.318 ( 1.682 5.721 9.165) 10.934 16.797 ( -10.070 -4.637 -6.916) 13.066 17.714 ( -1.314 1.858 -0.089) 2.277 17.886 ( -4.193 -1.434 0.930) 4.528 18.189 ( 3.362 2.637 2.448) 4.924 ======================= Grid point 206 (116/226) ======================= q-point: (-0.45 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.743 ( -9.500 -5.982 -3.455) 11.747 3.161 ( -1.907 -3.449 -1.025) 4.072 3.595 ( 2.186 -6.396 -4.518) 8.130 4.149 ( 8.479 -8.507 -1.141) 12.065 4.223 ( 1.312 7.695 4.456) 8.989 5.008 ( 12.435 25.333 -13.211) 31.159 5.225 ( -6.744 8.855 11.021) 15.664 5.712 ( 18.311 1.045 13.221) 22.609 6.234 ( -13.357 -9.425 5.981) 17.407 6.767 ( -20.648 -18.080 -1.045) 27.465 7.222 ( 8.177 -1.797 -5.541) 10.040 7.667 ( -1.569 1.006 -0.213) 1.876 8.241 ( -6.786 -2.450 -0.990) 7.282 8.735 ( 2.611 6.065 2.291) 6.989 9.494 ( 6.445 1.558 -4.725) 8.142 9.597 ( 13.271 -2.847 -4.999) 14.464 9.972 ( -7.034 4.483 -0.196) 8.344 10.358 ( -7.521 1.093 4.251) 8.708 12.084 ( 1.656 1.724 1.925) 3.070 12.869 ( -6.670 -1.064 1.317) 6.882 13.377 ( 5.954 4.176 -16.621) 18.142 13.930 ( 3.178 -12.187 6.263) 14.066 14.291 ( 0.580 -4.113 7.768) 8.808 14.640 ( 1.488 4.100 -0.599) 4.402 15.469 ( 0.541 -0.511 -14.897) 14.916 16.483 ( 6.060 0.451 12.439) 13.844 16.608 ( -6.623 2.447 -2.585) 7.519 17.703 ( -2.148 2.824 -0.981) 3.681 17.824 ( -1.679 -3.208 1.996) 4.135 18.265 ( 0.177 3.707 2.479) 4.463 ======================= Grid point 207 (117/226) ======================= q-point: (-0.36 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.587 ( 2.047 -6.505 -6.595) 9.487 3.069 ( -0.411 -10.341 -2.917) 10.752 3.559 ( 2.149 -0.551 -5.816) 6.225 4.086 ( -3.314 -2.807 0.790) 4.414 4.446 ( 3.048 13.337 4.015) 14.258 5.271 ( 1.941 0.251 10.254) 10.439 5.328 ( 2.288 26.591 -6.599) 27.493 5.754 ( -30.506 -15.056 6.760) 34.684 6.124 ( 12.737 3.969 10.572) 17.022 6.494 ( 5.259 -7.236 -4.498) 10.012 7.341 ( 8.680 1.089 -1.780) 8.928 7.665 ( 1.643 -1.892 1.923) 3.158 8.127 ( -2.035 -2.080 -2.574) 3.885 8.840 ( 0.188 5.783 5.107) 7.717 9.490 ( -2.565 -2.235 -8.133) 8.816 9.677 ( 0.877 -5.065 -11.196) 12.320 9.835 ( -5.187 1.256 1.229) 5.477 10.359 ( 1.315 1.111 6.770) 6.985 12.092 ( -2.450 -1.099 1.088) 2.897 12.833 ( -0.466 4.072 1.895) 4.516 13.386 ( 6.066 -2.022 -15.665) 16.920 13.878 ( -0.452 -8.900 3.166) 9.457 14.283 ( 0.824 -12.470 5.980) 13.854 14.627 ( -4.116 2.112 -2.034) 5.054 15.414 ( 0.415 6.006 -13.657) 14.926 16.511 ( -1.915 -0.421 2.243) 2.979 16.759 ( 8.667 7.473 13.132) 17.419 17.687 ( -2.138 2.624 -1.621) 3.754 17.792 ( 0.586 -4.111 2.042) 4.628 18.289 ( -3.414 4.094 2.191) 5.764 ======================= Grid point 208 (118/226) ======================= q-point: (-0.27 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.607 ( 13.943 -7.946 -9.422) 18.610 2.903 ( -0.166 -16.836 -6.956) 18.217 3.579 ( -0.564 6.349 -5.989) 8.746 4.027 ( -6.401 4.918 4.145) 9.074 4.560 ( -6.701 10.819 1.289) 12.791 5.088 ( -18.075 -22.676 12.581) 31.610 5.465 ( -4.018 12.042 9.912) 16.106 5.621 ( 6.069 23.438 -1.763) 24.275 6.209 ( 0.949 -5.162 0.534) 5.276 6.678 ( 12.239 5.170 -3.082) 13.639 7.467 ( 3.713 2.644 -0.185) 4.562 7.754 ( 11.429 -3.308 3.826) 12.498 8.119 ( 4.209 -0.306 -3.115) 5.246 8.891 ( -4.105 3.254 5.611) 7.676 9.193 ( -18.487 -8.506 -11.747) 23.497 9.525 ( -4.135 1.067 -6.121) 7.463 9.868 ( 5.041 -4.558 0.787) 6.842 10.460 ( 5.518 -0.408 5.133) 7.547 12.023 ( -3.668 -1.893 1.089) 4.269 12.899 ( 0.346 5.390 -0.973) 5.488 13.377 ( 7.913 -8.503 -7.478) 13.815 13.795 ( -3.658 -0.660 -2.617) 4.546 14.110 ( -3.211 -19.827 -0.679) 20.097 14.606 ( -1.761 4.085 2.319) 5.016 15.406 ( -0.315 6.139 -11.456) 13.001 16.510 ( -2.485 3.247 3.833) 5.604 17.082 ( 11.005 7.595 13.529) 19.021 17.652 ( -2.860 0.739 -2.757) 4.041 17.793 ( 3.141 -3.937 0.902) 5.116 18.269 ( -5.102 4.338 2.730) 7.232 ======================= Grid point 209 (119/226) ======================= q-point: (-0.18 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.670 ( 3.139 -18.826 -8.472) 20.882 2.765 ( 18.183 -11.887 -10.362) 24.068 3.549 ( -6.295 7.527 -5.832) 11.415 3.956 ( -13.425 5.371 1.876) 14.581 4.495 ( -4.370 3.067 6.118) 8.120 4.823 ( -14.280 4.142 12.764) 19.596 5.626 ( 7.365 0.635 7.592) 10.597 5.922 ( 4.777 15.930 5.659) 17.568 6.207 ( 3.388 -0.175 0.544) 3.436 6.840 ( 4.241 10.838 -11.614) 16.442 7.517 ( 1.759 0.219 -1.940) 2.628 7.994 ( 15.014 -1.460 3.289) 15.439 8.190 ( 6.177 -0.494 -3.390) 7.063 8.628 ( -24.644 -8.014 -8.350) 27.227 8.885 ( -5.770 -1.045 2.658) 6.438 9.477 ( -3.291 3.680 -0.185) 4.941 9.892 ( 4.611 -8.482 1.721) 9.806 10.574 ( 6.212 -2.567 3.494) 7.575 11.982 ( -0.532 -0.059 2.049) 2.118 12.899 ( -2.291 2.060 -3.656) 4.781 13.356 ( 1.813 -13.171 1.496) 13.379 13.748 ( -2.917 9.136 -8.726) 12.966 13.893 ( 3.721 -18.068 -3.391) 18.757 14.642 ( -0.592 2.380 3.891) 4.600 15.367 ( -2.919 3.889 -8.978) 10.210 16.518 ( -4.886 3.628 6.452) 8.870 17.389 ( 8.141 7.091 9.853) 14.616 17.570 ( -3.434 -0.692 -6.144) 7.073 17.829 ( 5.158 -3.938 0.120) 6.491 18.262 ( -3.371 5.232 4.894) 7.917 ======================= Grid point 210 (120/226) ======================= q-point: (-0.09 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.506 ( 7.336 -19.878 -9.904) 23.389 2.836 ( 9.345 -19.066 -2.167) 21.343 3.484 ( -5.726 7.252 -4.401) 10.234 3.841 ( -5.785 13.869 0.554) 15.037 4.570 ( -2.626 6.131 7.033) 9.693 4.750 ( -11.320 12.943 8.576) 19.215 5.756 ( 12.746 -17.014 4.626) 21.756 6.134 ( 3.854 8.069 2.881) 9.395 6.334 ( 0.965 10.207 10.756) 14.859 6.941 ( 4.668 16.873 -20.203) 26.733 7.461 ( -6.151 -3.411 -8.825) 11.285 7.997 ( -8.531 -8.860 -10.854) 16.404 8.219 ( -2.393 -4.007 -2.148) 5.138 8.396 ( 9.393 4.839 9.150) 13.978 8.825 ( -2.993 -0.696 5.303) 6.129 9.440 ( -6.343 2.709 1.320) 7.023 9.884 ( 2.907 -9.639 3.805) 10.763 10.640 ( 4.123 -4.741 1.372) 6.430 12.042 ( 3.981 2.864 3.765) 6.183 12.837 ( -3.588 -1.453 -4.533) 5.961 13.234 ( -0.691 -10.805 3.491) 11.376 13.690 ( -4.804 3.986 -5.075) 8.045 13.920 ( 13.129 -6.440 -6.781) 16.119 14.664 ( -0.877 0.180 3.538) 3.649 15.280 ( -5.759 2.843 -5.970) 8.769 16.479 ( -8.364 1.297 8.688) 12.129 17.483 ( -0.242 -0.061 -8.677) 8.680 17.577 ( 2.192 5.379 3.948) 7.023 17.883 ( 6.047 -4.277 -0.266) 7.411 18.314 ( -1.707 6.184 6.336) 9.016 ======================= Grid point 213 (121/226) ======================= q-point: ( 0.18 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.313 ( 17.415 5.714 4.898) 18.972 2.706 ( 21.312 -13.682 3.107) 25.515 3.398 ( -10.750 1.158 3.474) 11.357 4.187 ( -10.915 -4.098 -3.559) 12.190 4.519 ( -13.589 4.488 2.283) 14.491 5.265 ( -17.663 15.330 9.651) 25.300 5.537 ( 23.732 -13.015 -10.065) 28.877 5.963 ( -16.160 -1.267 -11.531) 19.892 6.287 ( 4.381 -1.226 -3.643) 5.828 6.959 ( -1.781 -1.427 -12.034) 12.249 7.295 ( 4.874 4.655 5.510) 8.706 7.934 ( 4.467 6.060 -5.119) 9.104 8.007 ( 3.510 -0.484 4.456) 5.693 8.722 ( -4.097 -15.688 11.399) 19.820 9.000 ( 1.427 0.771 -0.165) 1.630 9.355 ( -8.208 6.342 3.028) 10.806 9.854 ( 4.855 3.813 1.228) 6.294 10.622 ( 3.428 1.826 -3.279) 5.084 12.101 ( -2.682 -3.440 -3.599) 5.655 12.838 ( 2.560 -0.511 5.570) 6.151 13.180 ( 0.217 9.832 -1.092) 9.895 13.692 ( 2.925 -10.664 4.786) 12.049 13.983 ( 13.496 -7.927 1.812) 15.757 14.738 ( 2.957 1.510 -2.326) 4.054 15.170 ( -5.745 3.414 2.226) 7.044 16.389 ( -8.606 4.460 7.320) 12.147 17.544 ( 5.406 -0.386 -0.845) 5.485 17.587 ( -6.789 2.008 -7.542) 10.344 17.817 ( 5.413 -3.363 -0.304) 6.380 18.393 ( -8.002 2.169 -3.047) 8.833 ======================= Grid point 214 (122/226) ======================= q-point: ( 0.27 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.763 ( 20.014 15.221 5.949) 25.839 2.931 ( 15.899 -9.588 0.685) 18.579 3.290 ( -3.867 -0.872 6.839) 7.905 3.924 ( -10.504 -8.358 -2.296) 13.618 4.359 ( -9.073 0.815 1.519) 9.235 4.950 ( -21.229 -9.037 -3.461) 23.331 5.625 ( -4.465 4.537 0.465) 6.383 5.713 ( -11.980 10.391 -13.088) 20.562 6.504 ( 15.647 -1.644 1.504) 15.805 6.858 ( 7.165 -6.481 -16.082) 18.761 7.431 ( 4.739 -0.118 7.370) 8.763 8.018 ( 2.290 3.721 9.587) 10.536 8.162 ( 8.664 5.234 -2.741) 10.487 8.522 ( -8.529 -14.794 5.718) 18.009 9.022 ( 3.376 -1.529 -4.514) 5.840 9.273 ( -9.549 4.161 5.247) 11.663 9.988 ( 3.600 6.350 0.247) 7.304 10.666 ( 0.846 3.677 -3.160) 4.922 12.029 ( -1.530 -1.180 -1.555) 2.480 12.841 ( -0.114 -0.666 -0.463) 0.819 13.324 ( 1.226 9.366 5.410) 10.885 13.687 ( 5.842 -10.869 4.042) 12.985 14.134 ( 12.533 -7.865 2.724) 15.045 14.719 ( -5.411 0.605 -3.047) 6.240 15.176 ( 2.789 1.664 0.715) 3.326 16.356 ( -6.677 6.335 5.982) 10.977 17.396 ( -8.702 -4.265 -6.403) 11.615 17.624 ( 4.094 1.064 -1.564) 4.510 17.903 ( 5.762 0.735 1.414) 5.979 18.249 ( -8.482 1.544 -4.294) 9.631 ======================= Grid point 215 (123/226) ======================= q-point: ( 0.36 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.027 ( 5.549 -2.887 0.856) 6.313 3.295 ( 16.674 18.485 2.195) 24.991 3.341 ( 7.044 -5.801 3.698) 9.846 3.683 ( -4.055 -13.229 2.104) 13.995 4.282 ( -3.260 4.218 1.863) 5.648 4.481 ( -14.556 -15.332 -6.700) 22.177 5.525 ( -11.030 6.967 -3.657) 13.549 5.623 ( -11.342 19.054 -1.402) 22.219 6.564 ( -3.380 -4.437 4.500) 7.166 6.922 ( 14.077 -5.408 -15.254) 21.450 7.529 ( 5.026 -8.236 8.183) 12.651 8.169 ( -7.142 -14.535 6.535) 17.464 8.265 ( 3.155 7.345 -0.355) 8.002 8.352 ( 6.981 7.956 -0.943) 10.627 9.027 ( 4.564 -5.764 -4.059) 8.398 9.219 ( -4.064 3.972 4.582) 7.300 10.076 ( 0.348 5.197 -0.242) 5.214 10.678 ( -2.375 4.011 -1.551) 4.913 12.007 ( -0.402 0.782 0.057) 0.881 12.868 ( 3.650 1.065 -1.227) 3.995 13.399 ( -2.324 3.265 1.766) 4.380 13.720 ( 7.160 -10.472 3.904) 13.272 14.288 ( 10.135 -3.630 3.059) 11.191 14.570 ( -9.792 1.114 -1.296) 9.940 15.265 ( 7.324 -1.220 -3.196) 8.084 16.353 ( -3.897 4.705 4.478) 7.575 17.158 ( -10.716 -3.706 -5.188) 12.469 17.684 ( 2.902 0.045 0.136) 2.906 18.030 ( 5.885 2.979 2.360) 7.005 18.103 ( -7.961 1.585 -3.557) 8.863 ======================= Grid point 216 (124/226) ======================= q-point: (-0.55 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.093 ( -1.481 -0.804 0.588) 1.785 3.207 ( -4.006 -10.638 -2.982) 11.752 3.533 ( 3.274 -12.014 0.476) 12.461 3.749 ( 9.583 5.914 -4.069) 11.973 4.201 ( 1.025 -7.663 3.068) 8.318 4.455 ( 11.563 17.720 0.447) 21.164 5.427 ( -7.052 6.209 1.645) 9.539 5.641 ( -10.693 21.488 3.821) 24.303 6.472 ( -4.681 -5.212 4.664) 8.416 6.980 ( 7.534 -2.525 -9.770) 12.593 7.461 ( -8.644 -23.581 13.963) 28.736 7.798 ( -11.307 -1.786 -14.338) 18.348 8.408 ( 1.146 0.743 0.413) 1.427 8.590 ( 6.812 10.443 0.876) 12.499 9.076 ( 12.447 -5.923 0.095) 13.785 9.273 ( 4.130 2.408 0.397) 4.798 10.105 ( -1.786 3.643 0.571) 4.097 10.639 ( -6.207 2.723 0.742) 6.818 12.031 ( 0.955 2.545 1.166) 2.958 12.936 ( 4.312 -0.557 -2.350) 4.942 13.346 ( -4.531 0.674 -4.418) 6.365 13.757 ( 6.667 -10.687 3.927) 13.194 14.325 ( -2.058 -6.903 0.065) 7.204 14.546 ( 2.568 8.028 2.933) 8.924 15.330 ( 6.277 -2.779 -7.045) 9.837 16.369 ( 0.301 -0.134 3.800) 3.814 16.934 ( -11.654 0.641 -0.772) 11.697 17.721 ( 1.387 -0.477 1.135) 1.855 17.973 ( -6.457 0.991 -3.126) 7.242 18.180 ( 4.703 5.157 3.681) 7.891 ======================= Grid point 217 (125/226) ======================= q-point: (-0.45 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.812 ( -12.303 -13.804 -4.641) 19.064 3.141 ( -2.128 -7.784 -0.698) 8.100 3.455 ( 3.933 -9.117 -4.705) 10.988 3.868 ( 10.997 -2.360 -4.060) 11.958 4.334 ( 3.015 13.845 6.089) 15.422 4.943 ( 18.907 25.905 -7.089) 32.845 5.436 ( -0.721 -1.470 14.713) 14.804 5.737 ( -5.411 21.302 7.400) 23.191 6.368 ( -6.683 -4.285 6.220) 10.085 6.936 ( -23.281 -24.221 -2.636) 33.699 7.041 ( 6.816 -1.034 -4.296) 8.123 7.678 ( -0.831 0.425 -5.461) 5.540 8.324 ( -7.028 -3.376 -1.997) 8.049 8.769 ( 4.423 7.867 2.236) 9.298 9.284 ( 15.099 -3.045 -2.369) 15.585 9.372 ( 7.000 -0.331 -3.721) 7.934 10.095 ( -3.588 1.474 1.057) 4.021 10.534 ( -9.206 0.539 3.233) 9.772 12.092 ( 1.597 3.081 1.611) 3.826 12.937 ( -1.185 -2.891 -0.015) 3.125 13.248 ( -0.974 -0.469 -11.412) 11.463 13.785 ( 5.372 -8.705 3.019) 10.665 14.225 ( 0.362 -9.445 -0.019) 9.452 14.684 ( 1.281 7.076 1.577) 7.361 15.342 ( 4.093 -0.668 -10.034) 10.857 16.416 ( 4.979 -4.732 5.967) 9.099 16.800 ( -9.499 6.686 3.947) 12.269 17.735 ( 0.043 -0.716 1.816) 1.952 17.870 ( -4.989 0.683 -2.273) 5.525 18.316 ( 2.191 6.226 3.724) 7.579 ======================= Grid point 218 (126/226) ======================= q-point: (-0.36 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.474 ( -5.884 -15.470 -7.913) 18.345 2.951 ( -3.321 -17.774 -3.114) 18.348 3.477 ( 5.657 2.899 -4.282) 7.665 4.027 ( 8.752 -0.013 1.689) 8.914 4.572 ( 2.151 21.192 1.995) 21.394 5.287 ( 0.224 6.956 -1.980) 7.235 5.519 ( 1.915 6.444 4.689) 8.196 6.016 ( 7.904 14.144 14.401) 21.677 6.191 ( -17.994 -0.977 8.894) 20.096 6.401 ( -8.516 -11.115 -5.904) 15.196 7.167 ( 10.488 1.695 -3.534) 11.196 7.637 ( -0.416 -2.823 -2.379) 3.715 8.162 ( -5.919 -3.101 -1.845) 6.932 8.920 ( 2.721 7.249 3.691) 8.577 9.406 ( 4.316 -3.376 -4.828) 7.303 9.446 ( 9.015 -4.181 -8.853) 13.309 9.990 ( -9.237 -1.670 -0.699) 9.413 10.430 ( -5.135 -1.107 6.127) 8.070 12.133 ( -1.177 1.250 1.462) 2.255 12.897 ( -1.072 -0.608 3.967) 4.154 13.165 ( 2.843 -4.761 -14.423) 15.452 13.804 ( 3.156 -4.123 0.353) 5.204 14.136 ( 1.827 -14.241 -1.526) 14.439 14.710 ( -3.428 2.549 -0.447) 4.295 15.359 ( 3.214 4.400 -10.129) 11.501 16.512 ( 5.006 -2.476 7.706) 9.517 16.814 ( -0.683 7.647 7.979) 11.073 17.730 ( -0.966 -1.703 2.500) 3.176 17.796 ( -3.280 1.152 -2.444) 4.250 18.404 ( -1.710 6.399 3.422) 7.455 ======================= Grid point 219 (127/226) ======================= q-point: (-0.27 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.263 ( 6.036 -15.465 -11.802) 20.369 2.684 ( -1.533 -22.840 -6.756) 23.867 3.615 ( 3.585 11.339 -2.929) 12.248 4.142 ( 1.964 0.215 5.099) 5.468 4.795 ( -3.339 19.361 -0.209) 19.648 5.009 ( -9.231 -30.524 8.048) 32.889 5.741 ( 5.096 27.005 -11.983) 29.981 5.932 ( -19.674 14.238 15.256) 28.680 6.230 ( -4.587 -0.244 1.354) 4.789 6.508 ( 16.127 7.361 8.218) 19.540 7.362 ( 10.786 3.622 -3.918) 12.034 7.603 ( 3.897 -4.875 0.617) 6.271 8.075 ( -0.974 -0.810 -1.446) 1.922 9.025 ( -1.315 6.277 3.500) 7.307 9.278 ( -10.045 -8.399 -9.720) 16.307 9.453 ( 5.447 -4.950 -7.957) 10.839 9.831 ( -5.016 -3.023 1.142) 5.967 10.417 ( 1.243 -3.105 5.686) 6.596 12.091 ( -4.631 -0.550 1.622) 4.938 12.953 ( 0.825 3.727 4.508) 5.907 13.084 ( 7.347 -11.065 -11.160) 17.348 13.817 ( 0.334 2.779 -3.670) 4.616 13.959 ( -2.356 -19.197 -3.182) 19.601 14.670 ( -2.280 1.456 0.109) 2.707 15.393 ( 1.329 5.452 -8.641) 10.303 16.598 ( -0.075 4.575 4.362) 6.321 17.021 ( 10.658 3.410 12.540) 16.807 17.695 ( -1.930 -3.900 2.334) 4.938 17.758 ( -1.709 2.843 -3.209) 4.615 18.423 ( -5.090 5.697 3.528) 8.415 ======================= Grid point 220 (128/226) ======================= q-point: (-0.18 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.239 ( 17.204 -15.995 -13.200) 26.946 2.395 ( 0.689 -24.141 -11.180) 26.614 3.712 ( -3.944 11.930 -3.944) 13.170 4.077 ( -2.927 -19.658 2.041) 19.979 4.652 ( -6.442 0.839 12.962) 14.499 5.011 ( -0.585 9.826 3.274) 10.374 5.790 ( -16.097 12.297 3.653) 20.583 6.065 ( 2.377 20.469 0.050) 20.607 6.230 ( 1.359 7.541 5.534) 9.452 6.802 ( 6.988 7.825 -0.090) 10.491 7.446 ( 3.560 -1.450 -6.140) 7.244 7.765 ( 13.915 -0.126 2.197) 14.088 8.090 ( 3.600 0.772 -1.495) 3.973 8.851 ( -19.496 -10.819 -10.980) 24.853 9.010 ( -6.991 2.571 1.693) 7.639 9.500 ( 5.333 0.586 0.344) 5.376 9.757 ( 0.382 -8.029 0.984) 8.098 10.465 ( 5.051 -4.966 4.113) 8.190 12.027 ( -3.164 0.102 2.484) 4.024 12.929 ( -2.371 -1.652 -5.031) 5.802 13.144 ( 10.450 -8.540 1.700) 13.602 13.684 ( -3.508 -18.655 -3.449) 19.292 13.834 ( -1.558 8.382 -7.086) 11.085 14.670 ( 0.157 0.617 1.063) 1.240 15.395 ( -1.197 4.329 -6.561) 7.951 16.656 ( -2.247 6.698 3.171) 7.744 17.312 ( 11.489 0.127 10.829) 15.789 17.620 ( -3.516 -2.331 -0.829) 4.299 17.752 ( 0.382 1.979 -2.491) 3.204 18.410 ( -4.830 5.036 5.277) 8.749 ======================= Grid point 221 (129/226) ======================= q-point: (-0.09 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.114 ( 5.453 -24.891 -12.716) 28.478 2.343 ( 20.481 -19.360 -10.065) 29.926 3.682 ( -5.586 6.357 -3.073) 9.003 3.888 ( 3.019 -14.172 2.598) 14.721 4.774 ( -3.445 14.005 13.262) 19.593 5.050 ( -7.394 7.821 5.458) 12.067 5.646 ( -11.398 4.325 0.911) 12.225 6.225 ( 0.080 11.342 5.045) 12.414 6.472 ( 4.490 14.677 6.662) 16.732 6.914 ( 2.460 10.675 -12.305) 16.475 7.428 ( 0.574 -4.300 -5.444) 6.961 7.878 ( 2.677 -9.036 -10.106) 13.819 8.183 ( 2.812 4.907 -5.044) 7.578 8.459 ( -7.403 -3.521 4.168) 9.196 8.923 ( -5.500 -0.148 4.252) 6.953 9.560 ( -4.129 2.719 1.139) 5.073 9.730 ( 7.184 -10.178 3.903) 13.055 10.516 ( 5.205 -6.779 2.297) 8.849 12.043 ( 1.632 2.466 3.654) 4.701 12.840 ( -2.221 -3.675 -5.132) 6.692 13.152 ( 0.634 -10.515 2.358) 10.795 13.550 ( 8.583 -13.456 -0.286) 15.963 13.846 ( -3.045 12.090 -9.802) 15.860 14.681 ( -0.031 -0.910 1.490) 1.746 15.361 ( -3.523 3.682 -4.190) 6.597 16.674 ( -6.000 4.541 5.556) 9.354 17.410 ( 0.678 -5.163 -2.741) 5.885 17.616 ( 2.930 2.393 2.530) 4.551 17.777 ( 2.125 1.099 -1.922) 3.069 18.444 ( -2.014 5.590 7.350) 9.452 ======================= Grid point 224 (130/226) ======================= q-point: ( 0.18 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.045 ( 25.565 6.054 7.601) 27.349 2.225 ( 23.548 -15.740 7.331) 29.257 3.645 ( -12.921 1.859 3.496) 13.514 4.128 ( 15.964 -12.475 -3.616) 20.580 4.849 ( -16.808 3.683 -8.195) 19.058 5.043 ( 6.887 4.945 -1.092) 8.549 5.740 ( -19.366 5.028 7.122) 21.238 6.158 ( -15.255 0.298 -8.963) 17.696 6.311 ( -8.507 3.203 -3.473) 9.731 6.925 ( -2.849 -0.504 -11.463) 11.823 7.302 ( 4.781 4.335 8.750) 10.873 7.809 ( 11.752 4.922 -2.925) 13.073 8.051 ( -3.178 1.828 3.673) 5.190 8.671 ( -0.635 -14.841 7.989) 16.867 9.011 ( -2.547 -1.850 1.199) 3.368 9.518 ( -2.682 7.445 -0.993) 7.976 9.762 ( 7.690 -2.151 0.285) 7.990 10.530 ( 6.754 0.697 -2.942) 7.400 12.086 ( -1.893 -2.338 -4.149) 5.125 12.819 ( 4.639 -0.844 7.350) 8.732 13.177 ( 7.383 3.677 -1.508) 8.385 13.615 ( 6.478 -8.195 2.778) 10.809 13.755 ( -0.870 -1.895 1.709) 2.696 14.692 ( 1.998 0.963 -1.203) 2.523 15.314 ( -5.693 1.760 2.658) 6.524 16.623 ( -9.003 4.543 6.165) 11.819 17.439 ( 5.858 -0.428 -1.189) 5.992 17.650 ( -1.383 -1.905 -6.190) 6.622 17.723 ( 0.641 1.396 1.135) 1.910 18.508 ( -6.708 1.079 -5.098) 8.494 ======================= Grid point 225 (131/226) ======================= q-point: ( 0.27 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.528 ( 21.790 -9.628 7.176) 24.880 2.600 ( 23.586 13.518 7.463) 28.191 3.454 ( -11.825 -0.582 4.703) 12.739 3.997 ( -10.894 -11.022 -2.579) 15.711 4.592 ( -13.758 4.032 -4.661) 15.075 5.051 ( -10.420 -13.714 -12.458) 21.257 5.699 ( 11.984 8.991 2.244) 15.149 5.990 ( -11.176 14.767 -4.112) 18.971 6.231 ( -1.087 2.441 -1.948) 3.307 6.781 ( -5.461 -3.468 -4.908) 8.120 7.428 ( 1.769 0.298 7.306) 7.523 8.025 ( 10.310 -0.096 2.557) 10.623 8.086 ( 0.982 5.806 6.408) 8.703 8.521 ( -4.780 -12.621 1.580) 13.588 8.954 ( -0.459 -2.790 -4.172) 5.040 9.462 ( -7.313 1.505 1.628) 7.641 9.922 ( 9.121 2.296 -1.671) 9.553 10.629 ( 5.093 2.267 -2.512) 6.114 12.031 ( -1.058 0.498 -3.251) 3.455 12.846 ( -0.893 -2.054 2.657) 3.475 13.353 ( 8.817 -0.217 1.989) 9.041 13.605 ( -4.768 0.036 6.049) 7.702 13.847 ( 14.803 -6.413 1.514) 16.203 14.717 ( 1.223 0.320 -3.992) 4.187 15.248 ( -5.559 0.340 4.376) 7.083 16.554 ( -7.666 3.618 2.294) 8.782 17.454 ( -4.017 -7.416 4.931) 9.770 17.569 ( 0.747 5.352 -8.651) 10.200 17.822 ( 6.306 1.960 1.166) 6.706 18.366 ( -7.460 1.274 -6.236) 9.806 ======================= Grid point 226 (132/226) ======================= q-point: ( 0.36 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.815 ( 16.252 -3.834 3.751) 17.115 3.129 ( 19.901 8.923 3.328) 22.062 3.348 ( -3.250 0.324 6.040) 6.867 3.656 ( -11.850 -12.645 -2.050) 17.450 4.433 ( -7.951 5.211 -0.834) 9.543 4.583 ( -18.056 -11.496 -8.669) 23.094 5.777 ( -10.503 13.082 -8.176) 18.662 6.040 ( -10.707 21.525 0.784) 24.053 6.419 ( 25.941 -4.305 -5.127) 26.791 6.646 ( -6.539 -2.353 3.611) 7.831 7.462 ( 0.533 -6.614 9.035) 11.210 8.112 ( 2.049 -14.423 11.586) 18.613 8.290 ( 5.936 2.165 1.031) 6.402 8.335 ( -2.191 8.448 -6.498) 10.880 8.896 ( 1.410 -4.259 -6.112) 7.582 9.355 ( -6.858 -0.503 1.957) 7.149 10.049 ( 5.789 0.632 -2.180) 6.218 10.703 ( 2.255 2.562 -1.304) 3.653 12.020 ( -0.153 2.745 -2.374) 3.632 12.836 ( 0.486 -0.999 1.509) 1.874 13.445 ( 4.307 -6.622 2.878) 8.407 13.561 ( -1.533 -1.641 1.899) 2.941 14.093 ( 14.130 0.868 3.950) 14.698 14.667 ( -3.918 -0.050 -5.654) 6.879 15.209 ( -1.285 -1.856 4.575) 5.102 16.459 ( -5.299 -0.758 -2.237) 5.801 17.307 ( -10.257 -0.342 3.596) 10.874 17.621 ( 4.163 0.897 -2.231) 4.808 17.965 ( 6.844 3.337 1.025) 7.683 18.222 ( -7.247 1.842 -5.057) 9.026 ======================= Grid point 227 (133/226) ======================= q-point: ( 0.45 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.029 ( 8.454 3.131 0.093) 9.016 3.213 ( -7.952 -21.400 -2.129) 22.929 3.233 ( 4.127 -15.174 0.092) 15.725 3.731 ( 9.720 19.699 -1.247) 22.001 4.211 ( -8.856 -3.746 -0.368) 9.622 4.488 ( 3.944 10.413 4.451) 11.991 5.671 ( -11.802 14.372 -6.842) 19.816 6.049 ( -9.069 16.598 0.826) 18.932 6.553 ( -4.676 -1.061 3.820) 6.130 6.735 ( 13.255 1.932 -1.845) 13.521 7.414 ( -2.474 -19.678 15.424) 25.125 7.859 ( -10.991 -8.354 -12.880) 18.881 8.355 ( 5.588 -0.410 2.151) 6.002 8.572 ( 7.382 9.357 -0.812) 11.946 8.876 ( 5.783 -2.482 -1.301) 6.426 9.272 ( -2.332 -1.662 0.518) 2.910 10.105 ( 3.070 -1.522 -1.224) 3.639 10.728 ( -1.429 1.551 0.289) 2.129 12.048 ( 0.790 4.200 -1.345) 4.480 12.855 ( 2.507 -1.732 -0.592) 3.104 13.397 ( -3.736 -6.282 3.040) 7.916 13.575 ( 5.637 -3.610 -2.036) 6.997 14.274 ( 2.492 -2.719 0.678) 3.750 14.597 ( 0.007 5.338 -1.678) 5.595 15.212 ( 2.101 -3.760 1.610) 4.599 16.356 ( -1.413 -4.466 -3.159) 5.650 17.172 ( -11.763 4.422 5.688) 13.794 17.680 ( 3.284 -0.653 0.325) 3.364 18.046 ( -2.872 1.189 -5.188) 6.048 18.179 ( 3.194 5.540 2.691) 6.938 ======================= Grid point 228 (134/226) ======================= q-point: (-0.45 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.826 ( -11.830 -20.251 -4.128) 23.813 3.036 ( -0.501 -18.054 -2.117) 18.185 3.230 ( 8.590 -1.939 -2.170) 9.069 3.843 ( -3.352 10.950 -3.720) 12.040 4.389 ( 12.854 15.296 4.262) 20.429 4.822 ( 16.510 16.427 5.218) 23.868 5.582 ( -9.456 7.608 -0.985) 12.177 6.087 ( -4.892 14.254 1.729) 15.169 6.488 ( -6.668 -0.417 6.500) 9.321 6.898 ( 4.030 5.380 -2.884) 7.315 7.080 ( -17.062 -25.024 8.217) 31.382 7.651 ( -1.639 0.847 -10.367) 10.530 8.364 ( -3.157 -3.672 -3.046) 5.720 8.703 ( 8.624 -0.031 -2.600) 9.007 9.073 ( 10.775 5.786 3.738) 12.789 9.254 ( 3.095 -3.203 -1.868) 4.830 10.112 ( 1.015 -3.703 0.019) 3.840 10.680 ( -5.860 -0.455 1.956) 6.194 12.105 ( 1.547 4.446 -0.714) 4.762 12.861 ( 2.578 -4.322 -2.745) 5.732 13.271 ( -6.099 -4.986 1.451) 8.010 13.633 ( 6.270 -1.925 -3.278) 7.333 14.155 ( -4.563 -8.545 -3.952) 10.462 14.723 ( 3.226 6.232 2.024) 7.304 15.224 ( 3.718 -1.898 -2.921) 5.095 16.320 ( 3.636 -4.926 1.915) 6.415 17.071 ( -11.291 6.752 6.700) 14.764 17.718 ( 1.786 -1.703 2.028) 3.195 17.946 ( -5.079 1.202 -5.017) 7.240 18.341 ( 5.078 6.718 3.205) 9.011 ======================= Grid point 229 (135/226) ======================= q-point: (-0.36 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.397 ( -11.703 -21.157 -6.360) 25.001 2.770 ( -2.528 -26.751 -3.304) 27.073 3.381 ( 8.563 6.822 -0.670) 10.969 3.955 ( 4.088 10.413 -0.406) 11.194 4.747 ( 6.082 22.181 1.058) 23.024 5.327 ( 15.426 24.350 -9.155) 30.244 5.438 ( -5.243 -19.456 13.470) 24.237 6.185 ( -0.330 13.898 2.051) 14.053 6.373 ( -4.884 -6.529 -1.121) 8.230 6.632 ( -20.911 1.735 11.292) 23.828 7.042 ( 5.173 6.168 -0.940) 8.105 7.597 ( -0.450 -2.257 -4.547) 5.097 8.212 ( -5.794 -4.548 -3.558) 8.180 8.847 ( 10.541 -1.090 -2.831) 10.969 9.243 ( 5.582 -1.424 -7.017) 9.079 9.310 ( 4.933 1.643 3.792) 6.435 10.053 ( -2.859 -6.075 -0.707) 6.751 10.562 ( -8.123 -2.503 3.993) 9.391 12.161 ( 0.830 2.946 -0.343) 3.080 12.825 ( 2.340 -7.551 -2.909) 8.424 13.136 ( -6.017 -2.659 0.829) 6.631 13.704 ( 5.520 1.041 -4.130) 6.972 13.978 ( -1.519 -11.694 -5.574) 13.043 14.769 ( -1.945 0.114 0.309) 1.972 15.284 ( 4.894 3.932 -5.274) 8.199 16.415 ( 8.299 -2.902 8.749) 12.403 17.011 ( -8.457 7.041 6.364) 12.712 17.726 ( -0.006 -3.785 3.513) 5.164 17.859 ( -3.763 2.734 -5.134) 6.928 18.487 ( 2.119 6.895 2.710) 7.705 ======================= Grid point 230 (136/226) ======================= q-point: (-0.27 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( -4.573 -22.109 -9.864) 24.638 2.434 ( -2.325 -29.456 -4.410) 29.875 3.621 ( 8.150 11.202 0.356) 13.858 4.057 ( 1.483 -5.887 -0.747) 6.116 5.018 ( -3.492 11.965 -0.960) 12.501 5.041 ( -9.738 -6.675 4.362) 12.586 5.765 ( 11.798 22.465 -12.189) 28.150 6.305 ( -0.813 0.294 5.098) 5.171 6.390 ( 3.343 6.521 11.008) 13.224 6.516 ( -11.233 16.428 12.035) 23.257 7.205 ( 8.046 6.802 -3.120) 10.988 7.524 ( -0.508 -5.264 -2.320) 5.774 8.090 ( -2.631 -2.018 -1.624) 3.692 8.975 ( 9.367 -3.550 -4.877) 11.141 9.236 ( 3.606 -4.562 -9.791) 11.388 9.357 ( -4.401 1.145 2.870) 5.378 9.903 ( -5.994 -6.020 -0.912) 8.544 10.441 ( -4.997 -4.814 5.243) 8.697 12.167 ( -2.692 0.886 0.701) 2.919 12.779 ( 5.707 -11.167 -3.754) 13.090 13.049 ( -3.692 -0.155 2.405) 4.409 13.762 ( 2.425 -6.264 -5.433) 8.639 13.825 ( 0.331 -2.934 -5.446) 6.195 14.713 ( -2.734 -0.914 -0.708) 2.968 15.365 ( 2.931 5.012 -5.216) 7.805 16.611 ( 7.843 1.337 9.761) 12.592 17.021 ( -0.759 4.502 7.113) 8.452 17.682 ( -1.540 -6.292 3.261) 7.252 17.820 ( -2.263 4.936 -4.442) 7.015 18.564 ( -2.201 6.211 2.363) 7.000 ======================= Grid point 231 (137/226) ======================= q-point: (-0.18 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( 9.055 -21.829 -13.983) 27.459 2.086 ( -1.284 -29.851 -7.709) 30.858 3.630 ( -0.350 -38.049 -4.567) 38.323 3.960 ( -0.215 7.847 0.272) 7.855 4.901 ( -4.993 10.424 14.252) 18.350 5.217 ( -3.352 23.615 -4.161) 24.212 6.052 ( 5.245 21.333 -13.263) 25.662 6.317 ( -7.302 6.631 9.569) 13.743 6.408 ( -10.824 11.895 12.521) 20.382 6.757 ( 9.242 6.578 7.272) 13.475 7.313 ( 4.006 -0.528 -9.757) 10.560 7.555 ( 10.525 -2.354 0.185) 10.787 8.071 ( 0.792 2.183 0.900) 2.491 8.912 ( -7.223 -10.222 -10.918) 16.609 9.145 ( -4.687 -0.110 -5.996) 7.612 9.348 ( 6.031 -2.346 4.703) 7.999 9.767 ( -5.269 -4.038 0.856) 6.694 10.380 ( 0.823 -6.818 4.645) 8.291 12.112 ( -4.696 0.179 2.404) 5.278 12.751 ( 7.756 -12.574 -5.712) 15.839 13.044 ( 0.757 -0.409 3.496) 3.601 13.569 ( -4.116 -15.973 -2.612) 16.700 13.886 ( 1.362 10.476 -6.628) 12.471 14.677 ( -0.630 0.158 -0.505) 0.823 15.407 ( 0.539 3.708 -4.054) 5.521 16.757 ( 0.368 6.845 2.900) 7.443 17.179 ( 10.161 -0.780 9.862) 14.181 17.605 ( -1.698 -7.365 2.061) 7.834 17.811 ( -2.376 6.041 -3.395) 7.326 18.569 ( -4.939 4.811 3.514) 7.738 ======================= Grid point 232 (138/226) ======================= q-point: (-0.09 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( 12.461 -25.340 -12.638) 30.938 1.749 ( 9.503 -25.692 -14.481) 30.986 3.228 ( 14.301 -51.790 -0.405) 53.729 4.042 ( -6.785 15.104 0.982) 16.587 5.093 ( -3.474 20.837 14.426) 25.581 5.304 ( -8.244 16.877 -0.793) 18.799 6.039 ( -17.725 12.008 1.944) 21.498 6.399 ( -3.397 13.620 1.912) 14.167 6.528 ( 6.530 13.869 2.791) 15.582 6.921 ( 1.172 2.934 1.360) 3.440 7.301 ( 4.678 -4.609 -6.698) 9.380 7.653 ( 6.960 -8.772 -9.104) 14.432 8.179 ( 3.888 8.668 0.087) 9.501 8.564 ( -11.525 -7.846 -3.971) 14.497 9.034 ( -5.595 -0.706 -0.623) 5.674 9.511 ( 11.007 -6.922 4.807) 13.863 9.653 ( -4.823 0.237 0.981) 4.927 10.382 ( 4.186 -7.892 3.727) 9.680 12.079 ( -1.354 1.387 3.371) 3.888 12.718 ( 5.302 -10.702 -6.186) 13.450 13.054 ( 1.305 -6.794 0.642) 6.948 13.382 ( -0.649 -9.576 3.687) 10.281 13.952 ( -1.697 12.209 -8.409) 14.922 14.678 ( 0.174 0.101 0.157) 0.255 15.411 ( -1.239 2.713 -2.532) 3.912 16.817 ( -2.242 7.567 0.481) 7.907 17.335 ( 2.909 -4.581 1.702) 5.687 17.542 ( 3.004 -6.106 2.200) 7.152 17.820 ( -1.867 6.261 -1.421) 6.686 18.571 ( -2.721 4.060 6.562) 8.182 ======================= Grid point 268 (139/226) ======================= q-point: ( 0.18 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( -0.000 0.000 32.464) 32.464 1.187 ( -0.000 0.000 32.464) 32.464 1.988 ( -0.000 0.000 50.154) 50.154 4.473 ( 0.000 -0.000 -4.182) 4.182 5.549 ( 0.000 0.000 -22.834) 22.834 5.549 ( 0.000 -0.000 -22.834) 22.834 6.140 ( 0.000 -0.000 -15.765) 15.765 6.937 ( -0.000 0.000 3.941) 3.941 6.937 ( -0.000 0.000 3.941) 3.941 7.404 ( -0.000 0.000 15.650) 15.650 7.404 ( -0.000 0.000 15.650) 15.650 8.374 ( 0.000 -0.000 -5.658) 5.658 8.432 ( 0.000 0.000 -2.155) 2.155 8.432 ( 0.000 -0.000 -2.155) 2.155 8.814 ( 0.000 0.000 -0.764) 0.764 8.814 ( 0.000 0.000 -0.764) 0.764 9.560 ( 0.000 -0.000 -6.190) 6.190 9.666 ( -0.000 0.000 8.508) 8.508 12.183 ( -0.000 0.000 1.241) 1.241 12.183 ( -0.000 0.000 1.241) 1.241 12.772 ( 0.000 -0.000 -3.427) 3.427 12.772 ( 0.000 -0.000 -3.427) 3.427 14.759 ( -0.000 0.000 1.295) 1.295 14.759 ( -0.000 0.000 1.295) 1.295 15.466 ( -0.000 0.000 1.306) 1.306 16.702 ( 0.000 -0.000 -1.004) 1.004 17.192 ( 0.000 0.000 -0.157) 0.157 17.192 ( 0.000 -0.000 -0.157) 0.157 18.064 ( -0.000 0.000 3.564) 3.564 18.639 ( 0.000 -0.000 -2.598) 2.598 ======================= Grid point 269 (140/226) ======================= q-point: ( 0.27 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( 11.213 -5.426 27.616) 30.296 1.669 ( 13.078 6.821 30.500) 33.879 2.527 ( 20.224 18.377 37.387) 46.309 4.362 ( -7.658 -4.760 -4.316) 9.996 5.132 ( -10.495 -11.987 -20.712) 26.131 5.537 ( -4.633 10.341 -21.365) 24.184 6.048 ( 0.071 -0.979 -14.181) 14.215 6.744 ( -18.332 -6.991 4.384) 20.104 7.015 ( 3.096 -4.120 2.987) 5.957 7.161 ( -12.744 -6.874 12.724) 19.276 7.779 ( 9.563 5.826 15.607) 19.208 7.975 ( -10.343 -17.107 9.182) 21.999 8.241 ( -6.256 -9.051 -4.854) 12.025 8.496 ( -0.220 5.359 0.553) 5.392 8.885 ( -0.159 6.709 -0.263) 6.716 9.149 ( 13.864 13.456 -9.533) 21.544 9.500 ( -1.465 -0.357 -9.101) 9.225 9.871 ( 13.061 4.406 4.587) 14.527 12.148 ( -2.737 3.776 0.193) 4.667 12.346 ( 12.497 0.109 3.073) 12.870 12.707 ( 0.325 -1.537 -5.621) 5.836 12.961 ( 11.848 10.903 -4.438) 16.702 14.691 ( -5.719 -4.331 5.302) 8.920 14.736 ( -2.510 -1.097 0.986) 2.911 15.504 ( 2.064 1.150 2.457) 3.409 16.587 ( -6.645 -7.673 -4.088) 10.943 17.184 ( 0.062 0.076 -1.087) 1.091 17.284 ( 6.668 3.456 -1.371) 7.635 18.074 ( -1.068 -0.477 3.863) 4.037 18.608 ( -2.438 1.297 -3.475) 4.438 ======================= Grid point 270 (141/226) ======================= q-point: ( 0.36 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( 20.885 -4.442 18.881) 28.503 2.087 ( 11.451 3.836 27.408) 29.950 3.292 ( 23.731 22.751 16.597) 36.826 4.105 ( -11.472 -7.041 -3.013) 13.793 4.777 ( -7.433 -8.337 -15.560) 19.154 5.383 ( -12.002 11.733 -17.112) 23.969 5.974 ( -0.907 -1.285 -4.008) 4.305 6.303 ( -23.594 -9.685 0.593) 25.512 6.878 ( -13.217 -3.428 2.929) 13.964 7.132 ( 6.670 -9.806 7.217) 13.882 7.829 ( -0.746 -7.575 8.512) 11.419 7.910 ( 4.724 -18.452 -4.267) 19.519 8.167 ( 0.324 5.817 9.981) 11.557 8.555 ( -0.858 6.863 2.969) 7.527 8.882 ( -6.951 6.967 -0.215) 9.844 9.350 ( 2.806 1.747 -11.689) 12.148 9.450 ( 2.562 7.692 -1.911) 8.329 10.144 ( 12.714 4.267 -0.457) 13.419 12.156 ( -3.124 7.170 0.491) 7.837 12.591 ( 15.502 -4.218 4.857) 16.784 12.688 ( 3.009 0.091 -7.401) 7.990 13.252 ( 10.803 14.172 -2.377) 17.978 14.582 ( -7.028 -4.687 8.723) 12.142 14.690 ( -1.703 -1.607 0.982) 2.539 15.561 ( 0.577 -0.399 5.746) 5.789 16.337 ( -7.452 -10.482 -8.329) 15.323 17.185 ( 2.298 -0.747 -3.627) 4.358 17.415 ( 6.557 2.930 -2.418) 7.578 18.072 ( -1.508 -0.211 4.099) 4.373 18.536 ( -5.586 2.336 -4.616) 7.614 ======================= Grid point 271 (142/226) ======================= q-point: ( 0.45 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.097 ( 17.875 -4.204 11.232) 21.525 2.468 ( 12.122 5.478 20.746) 24.644 3.695 ( 1.198 -3.716 2.016) 4.394 4.002 ( 5.076 9.609 -3.860) 11.533 4.538 ( -7.440 -0.748 -8.809) 11.554 5.162 ( -16.335 7.588 -11.177) 21.198 5.774 ( -17.630 -8.056 4.565) 19.914 6.086 ( 4.303 3.193 -1.015) 5.453 6.642 ( -12.729 -0.566 -0.875) 12.772 7.176 ( 7.109 -12.909 3.590) 15.168 7.727 ( 2.382 -20.826 -8.714) 22.701 7.854 ( 4.003 -4.113 7.422) 9.382 8.237 ( -6.498 3.588 4.832) 8.857 8.648 ( 0.503 8.061 7.242) 10.848 8.849 ( -4.540 7.584 2.345) 9.145 9.250 ( -2.713 -2.813 -8.548) 9.399 9.600 ( 3.883 7.403 -0.604) 8.381 10.359 ( 9.438 4.254 -2.734) 10.708 12.180 ( -3.582 8.020 0.998) 8.840 12.718 ( 5.788 0.080 -7.069) 9.137 12.798 ( 10.246 -5.449 5.719) 12.937 13.561 ( 11.015 14.146 0.353) 17.933 14.487 ( -6.504 -4.116 12.314) 14.522 14.663 ( -0.989 -0.686 0.731) 1.408 15.538 ( -5.048 -7.871 6.844) 11.588 16.101 ( -3.410 -4.527 -9.815) 11.334 17.204 ( 4.947 -1.279 -6.758) 8.472 17.524 ( 5.646 1.660 -2.641) 6.450 18.078 ( -0.950 1.007 4.093) 4.321 18.414 ( -7.754 1.676 -5.429) 9.613 ======================= Grid point 272 (143/226) ======================= q-point: ( 0.55 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.321 ( 8.017 -4.205 6.409) 11.092 2.830 ( 11.719 7.100 12.903) 18.822 3.597 ( -6.526 -8.831 5.602) 12.327 4.145 ( 12.554 1.068 -8.202) 15.033 4.369 ( -14.248 6.323 -2.540) 15.793 4.863 ( -16.216 -0.160 -6.726) 17.557 5.575 ( -1.571 3.359 -8.267) 9.061 6.249 ( 4.824 3.798 7.047) 9.347 6.472 ( -8.332 6.432 -3.313) 11.035 7.165 ( 5.896 -14.891 3.110) 16.315 7.456 ( -4.925 -22.348 -9.398) 24.739 7.952 ( 4.107 -0.374 4.759) 6.298 8.108 ( -8.893 0.988 -2.933) 9.416 8.803 ( 3.900 8.032 5.537) 10.506 8.911 ( 0.166 4.388 8.392) 9.472 9.132 ( -4.933 -1.224 -1.540) 5.311 9.707 ( 2.919 4.640 -0.325) 5.491 10.502 ( 5.915 3.613 -4.177) 8.093 12.196 ( -3.623 6.915 0.171) 7.809 12.789 ( 6.704 1.536 -6.662) 9.575 12.885 ( 3.082 -6.729 7.036) 10.212 13.866 ( 8.771 11.349 2.092) 14.495 14.434 ( -5.303 -6.033 16.362) 18.227 14.655 ( -0.881 2.738 -0.065) 2.877 15.314 ( -8.647 -14.921 -1.373) 17.300 16.061 ( 1.788 4.397 -1.741) 5.056 17.244 ( 7.439 -1.606 -9.682) 12.315 17.594 ( 3.500 -0.133 -2.099) 4.083 18.116 ( 0.250 3.126 4.009) 5.090 18.256 ( -7.777 0.307 -6.114) 9.897 ======================= Grid point 273 (144/226) ======================= q-point: (-0.36 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.391 ( 0.209 -1.986 5.966) 6.291 3.120 ( 8.371 5.990 3.537) 10.884 3.356 ( -13.549 -10.220 5.840) 17.948 4.185 ( -8.448 4.385 -1.213) 9.595 4.459 ( 21.658 2.884 3.553) 22.137 4.582 ( -9.115 -3.602 -5.065) 11.032 5.638 ( 6.578 10.877 -12.857) 18.080 6.282 ( -7.955 11.742 -6.931) 15.786 6.452 ( -5.305 -0.395 5.626) 7.743 7.040 ( -8.635 -20.516 -13.728) 26.152 7.154 ( 6.309 -12.598 4.991) 14.947 7.908 ( -0.961 -7.472 -8.125) 11.080 8.072 ( -3.322 6.192 4.511) 8.351 8.942 ( 5.714 -2.243 -5.609) 8.315 9.030 ( 2.584 4.025 16.318) 17.004 9.089 ( -4.887 6.641 9.037) 12.233 9.787 ( 2.003 3.342 0.467) 3.925 10.575 ( 2.851 2.004 -4.778) 5.914 12.192 ( -3.443 5.299 -1.593) 6.517 12.879 ( 4.966 -10.375 8.374) 14.228 12.889 ( 2.097 6.005 -6.203) 8.885 14.023 ( -3.573 5.773 4.571) 8.184 14.347 ( -7.675 -9.699 12.670) 17.706 14.703 ( 1.580 3.106 0.617) 3.539 15.061 ( -2.056 -8.824 -4.348) 10.050 16.182 ( 4.219 7.489 4.439) 9.674 17.296 ( 8.997 -2.825 -12.285) 15.487 17.613 ( 0.755 -0.750 -0.551) 1.198 18.069 ( -8.703 -0.309 -2.674) 9.110 18.223 ( 4.065 4.406 -0.219) 5.999 ======================= Grid point 274 (145/226) ======================= q-point: (-0.27 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.340 ( -8.460 -3.956 5.223) 10.700 2.975 ( -18.021 -7.832 2.721) 19.837 3.362 ( 6.977 3.436 3.705) 8.615 4.175 ( 3.073 3.787 -2.936) 5.693 4.482 ( 4.328 0.349 1.882) 4.733 4.951 ( 26.565 3.768 7.599) 27.886 5.726 ( -8.202 3.645 -9.781) 13.274 6.094 ( -17.504 10.946 -7.085) 21.826 6.313 ( -3.797 1.312 -2.565) 4.766 6.786 ( 6.259 -9.754 -18.925) 22.192 7.196 ( 6.088 -9.152 7.576) 13.350 7.776 ( -0.237 -8.762 -6.917) 11.166 8.074 ( -3.900 3.451 1.942) 5.558 8.963 ( 2.677 -1.682 0.600) 3.218 9.105 ( -8.735 6.979 15.221) 18.886 9.247 ( 8.009 1.173 5.838) 9.980 9.836 ( -0.344 2.478 1.417) 2.875 10.577 ( -0.123 -0.309 -4.734) 4.746 12.167 ( -3.165 4.067 -2.995) 5.960 12.874 ( -0.404 -5.504 10.114) 11.522 12.993 ( 7.465 1.506 -5.696) 9.510 13.922 ( -11.870 -1.006 3.342) 12.372 14.147 ( -12.187 -9.860 7.765) 17.494 14.699 ( -0.205 -1.769 -2.825) 3.340 15.103 ( 7.421 2.917 2.824) 8.459 16.377 ( 5.949 8.169 6.327) 11.923 17.320 ( 8.170 -6.530 -14.129) 17.579 17.622 ( 0.176 1.978 1.326) 2.388 17.907 ( -7.587 -1.503 -2.897) 8.259 18.350 ( 5.051 5.720 -0.687) 7.662 ======================= Grid point 275 (146/226) ======================= q-point: (-0.18 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.091 ( -14.895 -12.788 6.642) 20.724 2.578 ( -24.060 -8.477 5.151) 26.025 3.569 ( 11.973 5.103 2.236) 13.206 4.229 ( -0.125 -4.745 -4.461) 6.514 4.748 ( 16.718 10.654 4.565) 20.343 5.119 ( -26.349 -9.225 -3.707) 28.162 5.539 ( 21.834 6.600 8.987) 24.516 6.194 ( 5.652 21.319 -10.732) 24.528 6.293 ( -1.723 7.963 -6.957) 10.713 6.732 ( 9.137 -7.715 -16.218) 20.150 7.254 ( 4.677 -7.054 7.874) 11.560 7.650 ( -0.032 -9.376 -5.018) 10.635 8.057 ( -1.332 1.272 0.848) 2.028 8.990 ( -3.669 -0.211 8.754) 9.494 9.106 ( -6.346 7.171 8.465) 12.781 9.365 ( 4.996 -4.028 1.040) 6.501 9.832 ( -3.913 2.114 1.201) 4.607 10.509 ( -3.029 -2.542 -4.415) 5.927 12.134 ( -2.781 3.636 -3.255) 5.617 12.870 ( -2.075 -6.554 10.791) 12.795 13.060 ( 3.777 -1.446 -5.814) 7.083 13.776 ( -3.833 0.739 1.920) 4.350 13.868 ( -14.942 -8.678 5.469) 18.124 14.677 ( -0.375 0.221 -0.512) 0.673 15.278 ( 6.509 2.982 4.169) 8.285 16.590 ( 6.710 6.972 4.266) 10.575 17.268 ( 5.382 -9.824 -13.411) 17.474 17.688 ( 2.236 5.210 1.871) 5.970 17.756 ( -6.702 -2.334 -1.997) 7.372 18.476 ( 4.081 6.239 -2.171) 7.765 ======================= Grid point 280 (147/226) ======================= q-point: ( 0.27 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( -9.745 11.987 27.459) 31.506 1.837 ( 0.514 15.351 28.530) 32.402 2.708 ( 5.295 17.047 35.852) 40.050 4.349 ( -0.437 -6.996 -4.120) 8.131 4.971 ( -3.879 -17.924 -21.101) 27.957 5.411 ( 8.890 1.965 -21.833) 23.655 5.983 ( -0.278 2.613 -13.098) 13.359 6.825 ( 4.599 -12.241 4.677) 13.888 7.003 ( -5.505 -6.277 3.428) 9.025 7.246 ( 0.476 -12.950 10.932) 16.954 7.753 ( -2.095 -7.195 14.349) 16.188 7.994 ( -8.202 -12.587 3.316) 15.385 8.216 ( -2.010 -9.473 -1.685) 9.829 8.632 ( 2.353 12.955 1.246) 13.225 8.876 ( 3.651 9.163 -2.104) 10.085 9.039 ( 6.482 10.815 -8.965) 15.471 9.482 ( 0.777 3.864 -8.208) 9.105 9.895 ( -2.776 9.572 5.674) 11.468 12.149 ( 4.911 -2.066 0.640) 5.366 12.347 ( -5.978 10.152 3.573) 12.312 12.774 ( -7.693 7.282 -7.430) 12.939 12.869 ( 9.242 12.240 -3.089) 15.645 14.699 ( -0.366 -7.961 4.421) 9.114 14.747 ( -0.106 -2.515 1.211) 2.793 15.522 ( -0.008 3.639 2.606) 4.476 16.588 ( -2.765 -8.113 -3.740) 9.352 17.173 ( -0.037 -2.187 -0.920) 2.373 17.264 ( -0.349 6.505 -1.037) 6.596 18.094 ( 0.125 -1.892 4.098) 4.515 18.584 ( 1.964 -2.031 -3.473) 4.477 ======================= Grid point 281 (148/226) ======================= q-point: ( 0.36 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( -2.528 11.902 24.693) 27.528 2.176 ( 5.190 8.374 27.609) 29.314 3.287 ( 16.256 22.512 17.530) 32.838 4.162 ( -7.920 -10.172 -3.591) 13.382 4.659 ( -1.535 -11.110 -16.121) 19.638 5.408 ( 3.255 1.923 -22.148) 22.469 5.960 ( 0.515 5.755 -5.986) 8.319 6.590 ( -19.488 -14.762 4.701) 24.895 6.893 ( 0.717 -12.258 0.500) 12.290 7.114 ( -6.324 -14.740 13.349) 20.868 7.679 ( -1.568 -14.182 -0.842) 14.294 7.745 ( -1.610 -13.973 2.281) 14.249 8.244 ( 5.176 1.455 10.413) 11.719 8.699 ( -5.423 12.278 0.642) 13.437 9.003 ( -0.597 7.005 -3.927) 8.052 9.248 ( 8.196 7.209 -8.335) 13.733 9.517 ( 0.779 10.767 -3.761) 11.431 10.021 ( 6.340 6.440 1.537) 9.167 12.260 ( 5.559 4.447 0.510) 7.137 12.385 ( 0.748 1.418 4.396) 4.679 12.708 ( -3.560 9.054 -6.652) 11.785 13.192 ( 12.493 17.564 -3.380) 21.817 14.628 ( -2.004 -9.284 7.611) 12.171 14.707 ( -1.742 -2.277 0.334) 2.886 15.591 ( 0.714 3.003 5.123) 5.981 16.351 ( -9.718 -10.638 -4.927) 15.228 17.124 ( -0.022 -4.502 -2.408) 5.106 17.355 ( 3.803 5.897 -2.114) 7.328 18.096 ( -0.156 -2.330 4.058) 4.682 18.564 ( -0.351 -0.912 -5.119) 5.211 ======================= Grid point 282 (149/226) ======================= q-point: ( 0.45 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.009 ( 6.233 10.877 18.639) 22.463 2.501 ( 7.209 7.267 22.592) 24.803 3.654 ( 2.434 2.301 -0.326) 3.365 3.989 ( -0.332 -1.087 -3.432) 3.615 4.532 ( 1.495 1.350 -9.115) 9.335 5.288 ( -3.953 -0.962 -17.896) 18.353 6.038 ( -8.913 -0.321 8.944) 12.631 6.105 ( -12.607 -4.308 -2.605) 13.575 6.697 ( -3.856 -16.163 -5.491) 17.500 7.015 ( 1.044 -15.136 12.786) 19.841 7.456 ( -0.486 -15.932 -6.002) 17.032 7.764 ( 6.183 -3.569 5.501) 9.013 8.400 ( 0.820 2.015 9.651) 9.893 8.733 ( -1.693 6.114 3.235) 7.121 8.941 ( -6.113 3.783 -8.687) 11.276 9.307 ( -2.411 5.639 -2.829) 6.754 9.649 ( 1.640 11.931 -1.225) 12.105 10.224 ( 10.262 5.651 -2.296) 11.938 12.327 ( -4.858 7.864 -0.352) 9.250 12.511 ( 13.411 -5.674 3.855) 15.063 12.747 ( -0.230 11.003 -3.645) 11.594 13.534 ( 10.397 16.570 -1.148) 19.595 14.561 ( -2.128 -9.156 11.574) 14.910 14.673 ( -0.537 -0.111 -0.402) 0.680 15.596 ( -5.754 -6.296 5.904) 10.374 16.098 ( -5.421 -2.682 -5.619) 8.255 17.072 ( 2.450 -5.381 -5.405) 8.011 17.458 ( 4.060 4.565 -2.328) 6.538 18.099 ( 0.358 -1.746 3.540) 3.964 18.484 ( -4.097 -1.145 -6.199) 7.519 ======================= Grid point 283 (150/226) ======================= q-point: ( 0.55 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.302 ( 4.285 10.674 12.295) 16.836 2.819 ( 8.459 7.598 15.617) 19.318 3.619 ( -1.090 -7.391 6.889) 10.163 3.948 ( 3.077 -2.265 -10.934) 11.583 4.553 ( -3.116 7.906 -8.303) 11.881 5.027 ( -13.015 -8.794 -9.101) 18.154 5.628 ( -11.907 -5.921 -5.499) 14.390 6.282 ( 5.025 9.603 7.471) 13.164 6.478 ( 0.621 -11.789 -11.064) 16.180 6.973 ( 3.151 -15.537 10.865) 19.219 7.282 ( -2.072 -13.041 -2.810) 13.501 7.907 ( 6.566 1.764 6.065) 9.111 8.329 ( -14.591 4.197 -1.431) 15.250 8.823 ( 4.949 -6.312 -1.285) 8.123 8.860 ( 0.095 6.851 1.549) 7.025 9.291 ( -4.982 3.610 4.548) 7.650 9.760 ( 0.069 10.743 -1.262) 10.817 10.410 ( 7.724 5.554 -4.425) 10.492 12.299 ( -3.022 2.891 -2.872) 5.074 12.681 ( 7.086 -1.809 5.469) 9.132 12.842 ( 1.705 8.133 -1.459) 8.436 13.838 ( 9.573 13.300 0.397) 16.392 14.518 ( -2.533 -10.561 16.185) 19.491 14.689 ( 0.561 3.521 0.427) 3.591 15.325 ( -12.128 -14.928 -3.654) 19.578 16.099 ( 1.165 7.766 2.173) 8.148 17.042 ( 5.494 -5.603 -8.932) 11.890 17.542 ( 3.073 3.175 -1.815) 4.777 18.125 ( 1.910 -0.115 2.428) 3.091 18.340 ( -6.680 -1.917 -6.271) 9.361 ======================= Grid point 284 (151/226) ======================= q-point: ( 0.64 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.494 ( -1.360 12.259 8.643) 15.061 3.081 ( 6.267 5.444 6.686) 10.659 3.491 ( -9.600 -9.844 7.686) 15.753 4.087 ( 18.356 1.438 -2.004) 18.521 4.432 ( -9.597 2.931 -4.175) 10.868 4.621 ( -12.980 -17.446 -4.254) 22.158 5.555 ( 5.837 8.424 -13.029) 16.577 6.365 ( 5.247 -6.018 -16.008) 17.889 6.435 ( 1.658 3.756 1.214) 4.282 6.971 ( 5.745 -14.868 11.393) 19.592 7.052 ( -15.096 -6.681 1.525) 16.578 7.927 ( -10.283 0.439 -4.719) 11.323 8.198 ( -2.018 5.965 2.045) 6.621 8.793 ( 4.302 -2.272 -7.769) 9.167 9.025 ( 6.253 0.052 12.225) 13.731 9.274 ( -3.380 -0.703 9.069) 9.704 9.855 ( -0.512 11.014 -0.174) 11.028 10.525 ( 3.776 4.838 -5.384) 8.164 12.255 ( -1.728 0.759 -4.111) 4.524 12.775 ( 3.216 -3.172 6.632) 8.024 12.922 ( -0.136 7.708 -1.038) 7.779 14.087 ( 5.537 8.341 0.660) 10.033 14.439 ( -5.586 -13.853 16.877) 22.538 14.732 ( -1.989 -0.451 3.716) 4.239 15.003 ( -4.634 -5.429 -8.909) 11.416 16.244 ( 2.297 9.903 6.396) 12.010 17.037 ( 7.876 -5.639 -12.307) 15.662 17.598 ( 1.523 2.261 -0.495) 2.771 18.154 ( -5.331 -1.888 -7.088) 9.068 18.203 ( 1.897 1.355 2.483) 3.406 ======================= Grid point 285 (152/226) ======================= q-point: (-0.27 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.562 ( -10.666 9.221 5.513) 15.139 3.142 ( -5.613 -1.212 -0.003) 5.743 3.341 ( -2.128 -3.607 8.087) 9.107 4.153 ( -5.701 -11.375 -1.438) 12.805 4.386 ( 3.920 -3.259 -2.787) 5.810 4.597 ( 24.749 3.712 7.110) 26.016 5.731 ( 8.606 15.131 -13.187) 21.838 6.319 ( 9.351 -9.047 -20.085) 23.931 6.440 ( -1.545 0.425 -3.143) 3.528 6.615 ( -31.523 0.681 2.669) 31.644 7.035 ( 6.424 -9.362 8.437) 14.146 7.730 ( -5.577 -2.907 -5.326) 8.242 8.212 ( -5.791 4.979 0.886) 7.689 8.851 ( 7.639 -1.055 -2.911) 8.243 9.185 ( 5.131 -3.555 13.120) 14.530 9.281 ( -0.609 -1.299 8.146) 8.271 9.939 ( -2.452 9.952 1.470) 10.355 10.564 ( 0.108 3.655 -5.540) 6.638 12.210 ( -1.185 0.075 -4.120) 4.288 12.826 ( 3.054 -5.669 8.775) 10.884 12.983 ( -0.842 8.959 -2.113) 9.243 14.080 ( -9.318 -5.031 -0.598) 10.607 14.268 ( -8.547 -13.642 11.679) 19.888 14.678 ( 0.620 0.805 -2.884) 3.058 15.038 ( 5.712 4.308 3.456) 7.946 16.421 ( 3.194 8.804 6.185) 11.224 17.037 ( 7.920 -5.596 -14.619) 17.543 17.641 ( 0.922 2.756 1.366) 3.211 17.981 ( -6.750 -2.518 -5.487) 9.056 18.311 ( 5.419 3.603 0.636) 6.539 ======================= Grid point 286 (153/226) ======================= q-point: (-0.18 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.354 ( -20.233 -1.930 4.881) 20.903 2.907 ( -20.568 -4.913 2.270) 21.268 3.415 ( 8.942 -0.920 2.422) 9.310 4.052 ( 8.141 -10.677 -1.028) 13.466 4.583 ( 15.376 9.153 0.655) 17.906 5.116 ( 24.076 2.186 11.273) 26.674 5.705 ( -24.360 3.866 -9.338) 26.373 6.217 ( 7.204 0.772 -4.154) 8.352 6.362 ( 2.945 -3.309 -9.286) 10.288 6.410 ( -4.532 14.393 -11.985) 19.270 7.103 ( 7.338 -7.600 4.182) 11.362 7.615 ( -3.407 -3.425 -0.999) 4.933 8.143 ( -6.142 2.790 0.346) 6.755 8.948 ( 6.071 -3.138 1.390) 6.974 9.247 ( -0.017 -7.209 12.799) 14.690 9.333 ( 1.326 1.829 2.540) 3.399 9.966 ( -5.567 6.812 2.057) 9.034 10.534 ( -3.343 2.540 -5.252) 6.724 12.174 ( -0.844 0.689 -2.909) 3.107 12.866 ( 1.166 -7.219 9.633) 12.094 13.035 ( -0.816 7.313 -2.959) 7.931 13.831 ( -7.248 -7.703 -1.590) 10.696 14.045 ( -11.663 -10.143 7.759) 17.295 14.708 ( -0.505 3.707 0.011) 3.741 15.213 ( 7.313 2.011 5.696) 9.486 16.570 ( 4.397 3.366 0.899) 5.610 17.016 ( 5.532 -3.404 -13.677) 15.141 17.710 ( 2.020 4.053 3.035) 5.451 17.825 ( -6.156 -2.147 -3.928) 7.611 18.444 ( 5.623 4.641 -0.843) 7.339 ======================= Grid point 291 (154/226) ======================= q-point: ( 0.27 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.995 ( -2.755 21.841 21.211) 30.570 2.232 ( -7.363 14.340 24.179) 29.060 3.102 ( -13.682 13.761 20.867) 28.495 4.192 ( 7.894 -8.072 -2.223) 11.507 4.723 ( -0.106 -14.306 -17.426) 22.546 5.129 ( 5.889 -7.303 -18.131) 20.415 5.953 ( -0.829 3.918 -6.752) 7.850 6.495 ( 18.956 -19.453 5.449) 27.703 6.877 ( 4.546 -18.916 1.874) 19.545 7.275 ( -0.902 5.209 4.181) 6.740 7.823 ( -7.375 -13.157 12.897) 19.845 8.053 ( -4.492 -6.193 -6.067) 9.764 8.157 ( -2.157 -1.859 4.983) 5.739 8.611 ( 11.077 11.300 4.845) 16.549 8.875 ( 8.983 4.234 -2.145) 10.160 9.140 ( -14.367 5.371 -7.007) 16.863 9.443 ( 3.163 5.477 -5.991) 8.712 10.103 ( -6.935 9.056 1.692) 11.531 12.076 ( 0.542 -4.083 1.075) 4.257 12.598 ( -5.448 11.868 1.214) 13.115 12.852 ( 5.011 18.686 -1.886) 19.438 12.989 ( -14.116 3.857 -5.126) 15.505 14.625 ( 2.337 -9.188 5.093) 10.762 14.727 ( 1.014 -1.635 2.041) 2.804 15.598 ( -1.400 4.135 5.023) 6.655 16.446 ( 7.300 -6.073 -7.752) 12.258 17.156 ( -1.383 -1.217 -2.953) 3.481 17.363 ( -4.387 5.751 -1.679) 7.425 18.088 ( 0.549 -3.129 4.238) 5.297 18.485 ( 2.966 -5.341 -2.965) 6.791 ======================= Grid point 292 (155/226) ======================= q-point: ( 0.36 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.183 ( -13.343 18.503 20.792) 30.866 2.387 ( -1.656 9.552 22.829) 24.802 3.375 ( 8.974 21.129 11.040) 25.473 4.143 ( -3.684 -10.646 -0.724) 11.289 4.452 ( 1.142 -11.762 -14.181) 18.459 5.131 ( 10.669 -4.558 -20.327) 23.405 5.978 ( 1.454 7.512 -2.613) 8.085 6.556 ( 5.867 -24.423 5.198) 25.650 6.722 ( 2.098 -19.454 -0.548) 19.574 7.205 ( -13.170 -7.895 8.879) 17.738 7.644 ( -3.281 -10.461 8.259) 13.727 7.739 ( -12.082 -12.637 -4.441) 18.039 8.173 ( 4.910 -2.811 4.480) 7.217 8.926 ( -3.528 10.949 -0.631) 11.520 9.016 ( 5.568 9.056 -3.783) 11.284 9.138 ( 8.839 12.889 -2.719) 15.864 9.528 ( 4.058 7.787 -3.994) 9.647 10.090 ( -4.096 6.539 0.858) 7.763 12.116 ( 7.184 -2.140 1.238) 7.598 12.613 ( -11.198 10.857 2.351) 15.773 12.849 ( -4.675 10.207 -4.159) 11.973 13.155 ( 10.258 20.688 -3.787) 23.400 14.586 ( 0.635 -10.671 7.190) 12.883 14.711 ( -1.175 -2.328 0.864) 2.747 15.664 ( -0.604 5.349 6.277) 8.269 16.338 ( -4.082 -10.059 -8.187) 13.597 17.075 ( -1.969 -5.869 -2.652) 6.734 17.376 ( -0.181 6.714 -1.791) 6.952 18.085 ( 0.518 -4.169 4.171) 5.920 18.483 ( 3.484 -3.813 -3.867) 6.452 ======================= Grid point 293 (156/226) ======================= q-point: ( 0.45 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.276 ( -6.602 15.850 18.084) 24.937 2.625 ( 3.072 8.616 20.767) 22.692 3.668 ( 0.304 8.128 -4.429) 9.261 3.952 ( -2.334 -7.398 -1.059) 7.829 4.428 ( 6.990 2.893 -6.662) 10.080 5.096 ( 6.291 -7.397 -19.766) 22.023 6.114 ( 4.112 7.964 1.970) 9.177 6.296 ( -10.127 -19.562 3.955) 22.380 6.504 ( -7.092 -21.974 -6.527) 23.995 6.945 ( -4.035 -18.876 15.081) 24.495 7.428 ( -9.420 -7.441 -0.893) 12.037 7.673 ( 5.412 -1.422 4.352) 7.089 8.303 ( 10.236 -4.960 6.169) 12.939 8.887 ( -4.595 5.840 -2.064) 7.712 9.096 ( -9.353 10.802 -5.379) 15.268 9.331 ( 4.154 7.905 -3.381) 9.549 9.694 ( 5.677 10.320 -2.183) 11.979 10.141 ( 4.178 5.323 -0.433) 6.781 12.272 ( 11.669 -3.359 2.677) 12.435 12.501 ( -8.783 7.653 -3.896) 12.284 12.918 ( -4.006 15.526 2.318) 16.201 13.508 ( 11.149 18.686 -3.811) 22.090 14.546 ( 0.386 -10.570 11.564) 15.671 14.677 ( -0.656 -0.076 -0.802) 1.039 15.684 ( -6.767 -3.879 5.414) 9.495 16.126 ( -3.744 -2.124 -5.902) 7.305 16.966 ( -0.644 -7.827 -3.599) 8.638 17.445 ( 2.138 6.031 -2.068) 6.724 18.080 ( 0.998 -4.104 3.581) 5.538 18.454 ( 0.291 -3.693 -5.523) 6.650 ======================= Grid point 294 (157/226) ======================= q-point: ( 0.55 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.492 ( 1.072 15.978 15.093) 22.006 2.880 ( 4.492 8.603 14.919) 17.798 3.608 ( -2.082 -2.500 1.864) 3.750 3.864 ( -2.161 -4.319 -5.987) 7.692 4.547 ( 3.403 6.019 -11.168) 13.135 4.974 ( 0.869 -8.008 -13.689) 15.883 5.812 ( -23.577 -15.324 -0.041) 28.120 6.094 ( 5.067 -23.941 -12.794) 27.614 6.416 ( 3.713 10.410 5.522) 12.355 6.860 ( 1.489 -17.275 14.432) 22.559 7.275 ( -4.497 -2.771 3.614) 6.401 7.828 ( 9.183 2.056 5.704) 11.004 8.443 ( 6.615 -5.306 4.344) 9.528 8.843 ( -10.198 5.735 -2.094) 11.886 8.943 ( -7.283 5.687 -6.544) 11.323 9.383 ( -1.861 2.332 0.278) 2.996 9.837 ( 2.159 9.871 -2.977) 10.533 10.305 ( 8.649 5.822 -2.369) 10.692 12.311 ( -1.312 -4.360 -2.900) 5.398 12.572 ( 8.321 5.218 1.635) 9.957 13.007 ( -5.277 15.494 2.865) 16.617 13.804 ( 8.927 12.816 -2.498) 15.817 14.524 ( -0.557 -11.901 14.972) 19.134 14.709 ( 2.209 4.962 0.714) 5.478 15.387 ( -14.812 -13.878 -5.057) 20.918 16.176 ( 2.546 9.735 4.086) 10.860 16.868 ( 1.702 -8.215 -6.180) 10.420 17.526 ( 2.479 4.940 -1.621) 5.760 18.090 ( 2.243 -2.931 2.416) 4.412 18.355 ( -3.270 -4.053 -6.239) 8.127 ======================= Grid point 295 (158/226) ======================= q-point: ( 0.64 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.743 ( -1.264 18.550 11.202) 21.706 3.094 ( 4.027 5.787 7.629) 10.388 3.579 ( -5.585 -9.034 9.943) 14.549 3.831 ( 10.643 3.268 -4.941) 12.181 4.436 ( -3.486 -10.022 -12.648) 16.510 4.752 ( -16.744 -8.473 -2.492) 18.931 5.458 ( 0.338 -2.082 -9.069) 9.311 5.934 ( 10.773 -18.438 -17.980) 27.916 6.555 ( -2.132 8.987 0.443) 9.247 6.827 ( 3.210 -14.682 13.555) 20.239 7.244 ( -4.709 1.932 9.436) 10.721 8.049 ( 5.508 4.470 6.289) 9.480 8.357 ( -14.447 1.769 -3.866) 15.060 8.687 ( -1.363 1.142 -10.311) 10.464 8.983 ( 5.097 -1.706 8.475) 10.036 9.342 ( -3.494 -2.343 2.956) 5.142 9.942 ( 1.916 9.404 -2.440) 9.902 10.469 ( 6.094 6.053 -3.827) 9.403 12.226 ( -0.913 -3.652 -4.759) 6.068 12.737 ( 5.013 0.311 4.569) 6.790 13.074 ( -5.128 14.012 1.602) 15.007 14.035 ( 8.631 7.679 -1.611) 11.664 14.460 ( -2.854 -14.797 14.283) 20.763 14.793 ( -2.913 -3.881 8.166) 9.499 15.015 ( -7.641 -0.252 -12.460) 14.618 16.362 ( 1.675 11.329 8.961) 14.541 16.799 ( 5.079 -6.977 -10.375) 13.495 17.598 ( 1.836 3.948 -0.393) 4.372 18.125 ( 2.614 -1.313 -1.064) 3.113 18.213 ( -3.812 -3.852 -3.982) 6.725 ======================= Grid point 296 (159/226) ======================= q-point: (-0.27 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.898 ( -9.620 16.863 5.296) 20.123 3.189 ( 0.025 2.545 1.720) 3.072 3.415 ( -6.051 -8.725 8.707) 13.731 4.079 ( -1.029 -13.755 -4.321) 14.454 4.251 ( 13.040 -1.227 3.631) 13.592 4.404 ( -4.961 -4.224 -1.171) 6.620 5.588 ( 14.339 8.041 -10.665) 19.596 5.856 ( 10.439 -11.758 -20.865) 26.126 6.542 ( -4.914 4.678 -2.976) 7.409 6.839 ( 2.985 -9.497 9.595) 13.826 7.208 ( -15.322 6.426 13.361) 21.320 7.868 ( -19.222 0.753 -8.740) 21.129 8.325 ( 0.036 4.359 2.133) 4.853 8.688 ( 7.037 -0.699 -5.436) 8.920 9.113 ( 6.833 -6.809 11.537) 15.039 9.290 ( -0.838 -3.244 3.416) 4.785 10.046 ( 1.282 7.885 -0.882) 8.037 10.569 ( 1.850 6.072 -4.129) 7.572 12.162 ( 0.732 -3.464 -4.525) 5.746 12.808 ( 1.545 -1.810 6.561) 6.979 13.125 ( -4.555 12.051 0.376) 12.889 14.119 ( -3.507 -7.053 -2.388) 8.231 14.316 ( -5.312 -12.517 10.457) 17.154 14.643 ( -0.003 -2.938 -2.860) 4.100 15.060 ( 1.797 7.963 3.531) 8.894 16.505 ( -0.586 3.747 7.538) 8.438 16.802 ( 7.483 1.258 -12.309) 14.460 17.661 ( 1.345 3.433 1.376) 3.935 18.021 ( -5.564 -2.951 -6.043) 8.728 18.239 ( 5.958 0.276 0.625) 5.997 ======================= Grid point 297 (160/226) ======================= q-point: (-0.18 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.739 ( -21.258 3.527 3.215) 21.787 3.154 ( -9.580 -0.683 -1.923) 9.795 3.352 ( -3.828 -4.479 6.536) 8.800 3.809 ( 5.176 -14.621 2.373) 15.690 4.425 ( 11.150 5.122 -3.930) 12.884 4.774 ( 27.887 3.832 10.357) 29.994 5.745 ( 6.113 -14.510 -18.925) 24.618 5.895 ( 12.577 15.448 -9.497) 22.068 6.475 ( -5.204 3.439 -4.015) 7.419 6.797 ( -16.499 5.869 6.787) 18.781 7.017 ( -9.769 0.857 3.862) 10.540 7.638 ( -3.490 -2.548 -2.030) 4.774 8.295 ( -7.270 3.070 1.049) 7.961 8.798 ( 8.152 -3.469 -0.142) 8.861 9.193 ( 5.371 -8.163 7.648) 12.409 9.302 ( 2.211 -2.997 3.169) 4.890 10.102 ( -1.994 4.347 0.386) 4.799 10.599 ( -2.339 6.122 -3.862) 7.607 12.135 ( 2.028 -2.101 -2.842) 4.075 12.853 ( 1.024 -2.684 7.670) 8.190 13.153 ( -4.476 9.012 -0.087) 10.063 13.847 ( -8.394 -13.489 -2.622) 16.102 14.166 ( -8.774 -7.151 6.023) 12.821 14.712 ( 4.999 3.014 -1.285) 5.977 15.178 ( 2.870 2.021 6.920) 7.760 16.502 ( 1.012 -6.287 -2.557) 6.862 16.904 ( 4.137 10.032 -7.811) 13.371 17.729 ( 1.770 2.784 2.364) 4.059 17.879 ( -5.256 -1.061 -3.329) 6.312 18.360 ( 7.348 1.547 -0.964) 7.571 ======================= Grid point 302 (161/226) ======================= q-point: ( 0.27 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.345 ( -0.303 22.898 12.982) 26.323 2.570 ( -3.290 10.784 21.512) 24.287 3.579 ( -19.541 10.213 0.471) 22.054 3.964 ( 9.087 -6.544 2.385) 11.449 4.501 ( 3.216 -10.112 -11.022) 15.300 4.887 ( -0.782 -14.014 -14.368) 20.086 5.983 ( 20.593 -18.668 1.769) 27.852 6.042 ( -4.657 6.450 4.813) 9.298 6.594 ( 6.071 -21.435 -1.256) 22.313 7.338 ( 1.617 6.542 -0.989) 6.811 7.856 ( -1.310 -6.174 1.843) 6.575 8.015 ( 1.565 4.761 -3.621) 6.183 8.264 ( -5.105 -4.352 7.947) 10.400 8.562 ( 6.555 0.032 7.289) 9.803 8.755 ( 2.796 -0.496 -1.182) 3.076 9.291 ( 0.015 5.128 -7.526) 9.107 9.491 ( -5.691 6.890 -0.012) 8.936 10.291 ( -6.399 6.703 -1.496) 9.387 12.063 ( -2.804 -5.198 2.383) 6.369 12.695 ( 1.336 9.339 -5.942) 11.149 13.011 ( 1.471 15.524 5.831) 16.648 13.287 ( -18.874 6.750 -2.529) 20.203 14.532 ( 1.827 -9.029 6.754) 11.423 14.706 ( 1.808 -1.242 2.513) 3.335 15.686 ( 1.283 2.975 9.485) 10.023 16.170 ( 11.330 -3.853 -12.523) 17.321 17.159 ( -2.689 0.542 -6.301) 6.873 17.481 ( -4.653 5.497 -2.502) 7.624 18.074 ( -0.037 -3.817 4.247) 5.710 18.358 ( 3.086 -6.955 -3.045) 8.196 ======================= Grid point 303 (162/226) ======================= q-point: ( 0.36 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.599 ( -1.718 15.149 17.792) 23.431 2.701 ( -10.825 10.016 13.586) 20.052 3.516 ( -0.307 18.140 -2.937) 18.378 4.074 ( 5.118 -4.493 6.007) 9.080 4.279 ( -3.711 -13.419 -8.666) 16.399 4.790 ( 9.175 -6.715 -16.865) 20.340 6.038 ( 2.406 1.900 1.608) 3.462 6.151 ( 11.130 -20.477 6.597) 24.223 6.443 ( 5.919 -23.108 -2.062) 23.943 7.378 ( -3.138 3.139 -0.553) 4.473 7.719 ( -8.761 -11.302 10.128) 17.524 7.772 ( -15.485 -15.057 -2.541) 21.747 8.145 ( -1.621 -1.050 0.576) 2.016 8.868 ( 10.559 -1.638 -4.883) 11.748 8.943 ( 13.359 15.356 3.548) 20.660 9.277 ( -3.326 13.930 -1.794) 14.433 9.540 ( 0.600 8.048 -1.525) 8.213 10.234 ( -6.283 4.665 -1.343) 7.939 12.029 ( 1.944 -2.548 2.133) 3.850 12.857 ( 2.173 13.936 -0.046) 14.105 12.984 ( -10.491 2.290 -4.798) 11.761 13.274 ( -1.037 23.731 1.162) 23.782 14.506 ( 1.618 -10.437 7.830) 13.148 14.709 ( -0.332 -2.534 1.412) 2.920 15.781 ( -1.110 5.651 9.395) 11.020 16.177 ( 4.891 -8.067 -13.570) 16.527 17.047 ( -3.759 -4.893 -5.376) 8.184 17.455 ( -3.072 6.036 -1.979) 7.056 18.057 ( 0.291 -5.317 4.433) 6.929 18.353 ( 4.515 -4.959 -2.264) 7.078 ======================= Grid point 304 (163/226) ======================= q-point: ( 0.45 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.623 ( -10.628 5.508 8.353) 14.597 2.811 ( -0.516 11.532 17.195) 20.710 3.724 ( 3.147 16.196 -9.498) 19.038 3.950 ( -7.546 -9.710 3.136) 12.691 4.309 ( 9.198 5.384 0.610) 10.675 4.771 ( 8.713 -8.388 -17.691) 21.430 5.979 ( 1.389 -30.915 -3.320) 31.124 6.178 ( 7.761 5.433 5.807) 11.112 6.392 ( 3.886 -15.406 1.579) 15.966 7.092 ( -23.193 -16.536 12.018) 30.916 7.499 ( -5.006 -6.388 -2.087) 8.380 7.614 ( 1.312 -2.561 4.316) 5.187 8.163 ( 3.963 -1.126 1.468) 4.374 8.896 ( 2.162 -2.889 -4.746) 5.962 9.259 ( 6.573 13.212 -2.631) 14.989 9.390 ( -4.973 13.974 -1.632) 14.922 9.660 ( 6.944 8.711 -1.252) 11.210 10.173 ( -3.200 2.755 -0.827) 4.303 12.107 ( 7.404 -1.084 2.334) 7.839 12.711 ( -12.977 3.817 -5.298) 14.527 13.122 ( 2.305 14.614 3.013) 15.098 13.522 ( 5.031 21.580 -3.337) 22.408 14.496 ( 2.015 -10.117 12.196) 15.974 14.682 ( -0.537 -0.876 -0.303) 1.071 15.799 ( -7.861 -4.954 3.473) 9.919 16.088 ( 2.561 1.588 -8.046) 8.592 16.900 ( -2.835 -8.175 -3.239) 9.239 17.475 ( -0.213 5.996 -1.826) 6.272 18.039 ( 0.860 -5.645 3.969) 6.955 18.357 ( 2.817 -4.370 -3.428) 6.228 ======================= Grid point 305 (164/226) ======================= q-point: ( 0.55 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.644 ( 1.879 6.007 7.041) 9.444 3.005 ( 1.488 8.906 11.748) 14.817 3.726 ( -9.049 6.510 1.366) 11.230 3.846 ( -1.378 -2.018 -1.121) 2.689 4.474 ( 2.064 2.992 -8.781) 9.504 4.739 ( 9.562 -3.476 -13.132) 16.612 5.694 ( 3.252 -26.344 -8.915) 28.001 6.067 ( -22.717 -18.514 -0.535) 29.311 6.440 ( 9.475 7.592 6.045) 13.563 6.793 ( -3.298 -16.141 16.875) 23.583 7.369 ( -5.312 -1.760 4.308) 7.063 7.723 ( 8.376 0.911 3.652) 9.183 8.257 ( 8.569 -3.588 0.840) 9.328 8.885 ( 2.001 -2.052 -0.991) 3.033 9.260 ( -17.589 11.269 -5.355) 21.565 9.416 ( 0.368 6.097 -5.929) 8.513 9.840 ( 4.985 7.729 -3.308) 9.774 10.223 ( 5.685 3.770 0.826) 6.871 12.222 ( 5.129 -4.392 1.479) 6.913 12.582 ( -2.897 6.992 -4.541) 8.826 13.261 ( -3.630 13.391 3.386) 14.282 13.774 ( 6.458 14.714 -4.643) 16.726 14.503 ( 0.172 -11.711 15.035) 19.059 14.718 ( 3.383 4.872 1.298) 6.072 15.472 ( -15.010 -12.724 -8.624) 21.484 16.229 ( 5.697 11.240 2.629) 12.873 16.765 ( -1.922 -8.885 -1.681) 9.244 17.532 ( 1.572 5.220 -1.364) 5.619 18.031 ( 2.001 -4.983 2.966) 6.134 18.310 ( -0.637 -4.429 -4.641) 6.446 ======================= Grid point 306 (165/226) ======================= q-point: ( 0.64 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.868 ( 10.520 7.985 7.184) 15.035 3.154 ( 1.402 6.186 4.100) 7.553 3.656 ( -6.643 -4.614 8.540) 11.762 3.810 ( -3.106 9.595 -0.668) 10.107 4.305 ( -4.141 -12.482 -12.450) 18.110 4.840 ( 1.608 5.385 -8.663) 10.326 5.411 ( -8.878 -22.339 -7.528) 25.190 5.596 ( -2.821 -9.110 -5.212) 10.868 6.623 ( 2.498 1.199 2.795) 3.936 6.760 ( 1.079 -8.610 13.429) 15.989 7.360 ( -0.996 1.874 8.748) 9.002 7.945 ( 12.850 2.187 6.167) 14.420 8.358 ( 7.478 -4.696 -1.498) 8.957 8.910 ( -5.324 2.469 -0.353) 5.880 8.952 ( -15.693 3.103 -6.514) 17.272 9.389 ( -3.368 0.543 -3.608) 4.965 9.948 ( 3.612 6.167 -3.778) 8.084 10.392 ( 7.893 5.203 -0.237) 9.457 12.182 ( -1.524 -5.313 -2.309) 5.990 12.681 ( 5.681 5.339 -0.160) 7.798 13.315 ( -5.583 11.657 1.480) 13.009 13.961 ( 6.420 7.935 -3.359) 10.745 14.449 ( -2.415 -12.749 12.942) 18.327 14.831 ( -0.907 -6.656 9.421) 11.570 15.086 ( -9.102 2.571 -15.264) 17.957 16.475 ( 6.700 13.911 3.520) 15.837 16.644 ( -1.902 -8.572 -0.448) 8.792 17.604 ( 2.065 4.140 -0.243) 4.633 18.049 ( 3.548 -3.558 1.348) 5.202 18.204 ( -3.290 -4.151 -4.819) 7.161 ======================= Grid point 307 (166/226) ======================= q-point: ( 0.73 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.165 ( 6.522 11.716 5.947) 14.669 3.195 ( -1.444 1.090 -2.081) 2.758 3.481 ( -8.314 -10.538 6.661) 14.985 3.965 ( 2.029 5.296 -1.871) 5.972 4.075 ( 3.650 -6.895 -1.397) 7.926 4.556 ( -20.667 -10.196 -2.638) 23.195 5.299 ( 12.066 -5.425 -4.457) 13.960 5.594 ( 8.131 6.384 -13.245) 16.802 6.616 ( -2.444 -2.573 2.310) 4.235 6.785 ( 1.182 -4.253 7.313) 8.542 7.443 ( -0.190 3.333 11.458) 11.934 8.180 ( -3.675 2.109 2.311) 4.826 8.320 ( -3.510 -0.053 -2.588) 4.362 8.593 ( -5.976 1.723 -11.914) 13.440 8.999 ( 5.183 -7.023 8.625) 12.271 9.304 ( -3.096 -1.478 -1.720) 3.838 10.045 ( 3.961 4.973 -2.733) 6.920 10.552 ( 5.293 5.643 -1.038) 7.806 12.098 ( -0.564 -4.163 -2.993) 5.158 12.795 ( 3.090 1.280 2.428) 4.133 13.332 ( -5.572 10.668 -0.189) 12.037 14.050 ( 1.099 -6.471 -2.843) 7.153 14.357 ( -3.733 -6.379 10.055) 12.479 14.605 ( -5.253 -10.530 -3.009) 12.147 15.134 ( 1.841 9.916 0.085) 10.086 16.532 ( -1.221 -8.008 -2.021) 8.349 16.737 ( 4.914 15.472 3.084) 16.525 17.672 ( 1.914 2.644 1.159) 3.464 18.042 ( -3.367 -2.160 -3.873) 5.568 18.136 ( 4.549 -2.500 -0.313) 5.200 ======================= Grid point 308 (167/226) ======================= q-point: (-0.18 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.112 ( -13.404 4.648 -0.646) 14.201 3.168 ( -3.725 -7.126 0.711) 8.072 3.490 ( -2.710 2.877 5.230) 6.556 3.688 ( -6.135 -15.121 1.761) 16.413 4.268 ( 2.572 -5.978 -3.572) 7.424 4.440 ( 20.508 7.520 2.231) 21.957 5.437 ( 10.043 -1.302 -2.713) 10.484 5.804 ( 11.179 16.692 -10.828) 22.822 6.550 ( -4.006 0.926 -2.380) 4.751 6.816 ( 3.454 -4.467 5.802) 8.096 7.527 ( -9.235 7.377 15.777) 19.714 7.715 ( -26.039 -2.749 -13.595) 29.503 8.400 ( -0.379 0.835 1.187) 1.500 8.620 ( 9.558 -2.102 -1.745) 9.940 9.032 ( 5.143 -10.515 3.749) 12.291 9.271 ( 0.368 -1.463 1.248) 1.958 10.122 ( 2.007 1.876 -1.176) 2.988 10.655 ( 1.221 5.739 -1.171) 5.983 12.062 ( 1.942 -2.238 -1.964) 3.555 12.853 ( 1.702 -1.171 5.027) 5.435 13.327 ( -5.861 8.385 -0.978) 10.277 13.824 ( -7.735 -15.728 -2.479) 17.702 14.288 ( -7.512 -1.884 4.204) 8.811 14.588 ( 8.828 -0.866 -1.556) 9.006 15.221 ( -0.245 2.388 3.703) 4.413 16.425 ( -1.728 -6.993 -1.721) 7.406 16.948 ( 2.209 14.986 -2.137) 15.298 17.725 ( 1.692 -0.049 0.945) 1.938 17.946 ( -4.201 1.338 -0.768) 4.475 18.227 ( 7.844 -1.072 -1.347) 8.031 ======================= Grid point 313 (168/226) ======================= q-point: ( 0.27 0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.556 ( 5.900 19.129 5.508) 20.762 2.834 ( -5.226 6.901 15.413) 17.678 3.790 ( 9.340 -1.389 7.728) 12.202 3.952 ( -17.284 5.783 -8.076) 19.935 4.282 ( 4.412 -11.688 -5.140) 13.509 4.703 ( -1.406 -14.713 -8.529) 17.065 5.560 ( 10.772 -9.929 -3.994) 15.185 6.233 ( -0.524 -6.985 1.850) 7.245 6.316 ( -3.671 -8.703 3.113) 9.945 7.332 ( 3.221 4.252 -5.135) 7.405 7.765 ( 8.183 0.206 -6.602) 10.516 8.032 ( 3.754 8.266 0.922) 9.125 8.185 ( 13.210 0.475 0.813) 13.243 8.618 ( -15.084 -13.351 12.060) 23.478 8.792 ( -4.140 0.860 4.754) 6.362 9.233 ( 6.580 4.110 -3.909) 8.688 9.660 ( -5.080 6.698 1.068) 8.474 10.425 ( -5.300 4.928 -3.913) 8.227 12.084 ( -3.453 -5.463 3.074) 7.157 12.724 ( -0.457 7.610 -7.441) 10.653 13.115 ( 4.305 8.266 7.802) 12.154 13.660 ( -16.262 8.441 0.185) 18.323 14.498 ( -1.810 -7.928 10.528) 13.303 14.661 ( 3.322 -2.594 2.093) 4.706 15.609 ( 16.726 -0.910 1.913) 16.859 15.989 ( -1.654 1.426 -5.249) 5.685 17.181 ( -4.085 2.547 -9.778) 10.899 17.583 ( -3.083 5.165 -2.600) 6.553 18.075 ( -1.784 -3.938 3.984) 5.879 18.218 ( 3.607 -6.477 -3.450) 8.177 ======================= Grid point 314 (169/226) ======================= q-point: ( 0.36 0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.822 ( -0.389 13.046 7.650) 15.128 2.968 ( -0.688 9.333 11.483) 14.813 3.704 ( -10.793 10.131 -9.939) 17.830 3.986 ( 8.724 1.708 8.603) 12.371 4.161 ( -0.182 -14.728 -3.656) 15.176 4.552 ( 1.713 -5.194 -8.904) 10.449 5.647 ( 15.129 -17.877 1.104) 23.445 6.053 ( 4.626 -26.276 -6.272) 27.407 6.292 ( -5.862 6.039 9.545) 12.726 7.360 ( 3.067 0.103 -6.218) 6.934 7.719 ( -2.720 -4.214 -5.067) 7.129 8.029 ( -18.634 -8.761 9.835) 22.819 8.192 ( -6.253 -2.879 1.559) 7.058 8.597 ( 16.792 -0.707 -2.969) 17.067 8.926 ( 7.674 11.916 6.062) 15.415 9.342 ( 5.012 6.226 -3.203) 8.611 9.666 ( -4.810 8.931 1.435) 10.244 10.361 ( -5.650 4.207 -3.022) 7.666 12.019 ( -1.455 -3.097 3.655) 5.007 12.853 ( 8.100 12.668 -5.164) 15.898 13.156 ( -8.866 -0.309 0.459) 8.883 13.590 ( -7.706 20.071 2.656) 21.663 14.449 ( -0.378 -9.566 10.302) 14.064 14.680 ( 1.384 -4.191 1.806) 4.768 15.812 ( 10.758 -5.981 -3.960) 12.930 15.982 ( -0.238 5.926 -1.339) 6.080 17.040 ( -5.393 -3.133 -9.412) 11.291 17.559 ( -3.982 5.599 -2.354) 7.263 18.034 ( -0.688 -5.541 4.502) 7.172 18.222 ( 4.592 -4.271 -1.257) 6.396 ======================= Grid point 315 (170/226) ======================= q-point: ( 0.45 0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.834 ( -9.965 0.734 0.854) 10.028 3.033 ( -4.038 7.458 9.724) 12.903 3.752 ( 3.983 14.386 -7.416) 16.668 4.008 ( -3.682 -6.300 1.099) 7.379 4.234 ( 10.980 7.268 4.833) 14.026 4.509 ( 2.956 -3.850 -8.455) 9.749 5.610 ( 5.030 -28.616 -1.174) 29.079 5.975 ( 14.876 -15.191 1.150) 21.293 6.322 ( -1.932 2.966 6.817) 7.681 7.370 ( -1.379 -2.058 -3.343) 4.161 7.462 ( -19.339 -14.960 0.001) 24.450 7.662 ( -6.914 -7.251 10.102) 14.227 8.175 ( -2.178 3.913 -0.296) 4.488 8.742 ( 7.786 -4.223 -4.544) 9.955 9.226 ( 9.171 12.567 -1.780) 15.659 9.536 ( 8.176 11.827 -0.686) 14.394 9.669 ( -4.172 6.440 0.184) 7.675 10.276 ( -6.669 2.546 -1.345) 7.264 12.034 ( 2.802 -0.487 3.355) 4.398 12.927 ( -13.935 -0.269 -3.755) 14.435 13.116 ( 10.633 12.186 -4.612) 16.817 13.730 ( -3.044 20.823 2.081) 21.147 14.444 ( 2.064 -9.529 14.176) 17.206 14.664 ( 0.783 -3.083 0.409) 3.207 15.768 ( 0.950 -10.641 -14.362) 17.900 16.090 ( 0.923 10.437 6.393) 12.274 16.857 ( -4.104 -7.250 -5.886) 10.201 17.543 ( -2.559 5.563 -1.852) 6.397 18.000 ( -0.012 -6.092 4.527) 7.590 18.253 ( 3.592 -2.982 -1.133) 4.804 ======================= Grid point 316 (171/226) ======================= q-point: ( 0.55 0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.686 ( -3.827 -0.055 -2.140) 4.385 3.108 ( -0.105 4.275 5.827) 7.228 3.825 ( -0.313 -5.674 1.151) 5.798 3.982 ( -4.521 14.946 1.479) 15.684 4.428 ( -0.494 -8.202 -8.646) 11.927 4.521 ( 9.810 13.116 -2.729) 16.604 5.383 ( 1.709 -21.490 -4.424) 22.007 6.106 ( 4.393 -12.361 4.267) 13.796 6.362 ( 3.875 -1.249 6.555) 7.716 6.910 ( -18.886 -16.500 10.867) 27.332 7.403 ( 2.194 -3.273 -0.703) 4.002 7.644 ( 2.665 -0.003 4.359) 5.109 8.171 ( -0.357 0.695 -0.459) 0.906 8.785 ( 5.244 -3.281 -1.585) 6.385 9.404 ( 3.222 8.665 -8.041) 12.253 9.598 ( -12.007 10.253 -2.532) 15.991 9.772 ( 8.191 4.557 -4.344) 10.331 10.223 ( -1.096 2.634 3.138) 4.241 12.122 ( 4.866 -0.872 2.723) 5.643 12.710 ( -9.355 2.970 -4.029) 10.610 13.327 ( 6.638 6.929 -5.231) 10.929 13.880 ( -1.829 17.213 -0.619) 17.320 14.477 ( 1.097 -11.201 16.455) 19.935 14.697 ( 4.455 1.814 1.886) 5.167 15.497 ( -9.239 -10.501 -16.111) 21.336 16.266 ( 3.596 11.993 2.801) 12.830 16.723 ( -1.615 -7.604 1.421) 7.903 17.560 ( -0.270 4.810 -1.307) 4.991 17.974 ( 0.868 -5.890 3.937) 7.138 18.254 ( 0.555 -2.479 -2.006) 3.237 ======================= Grid point 317 (172/226) ======================= q-point: ( 0.64 0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.732 ( 9.838 1.168 -1.064) 9.964 3.174 ( 1.740 1.972 0.762) 2.738 3.721 ( -3.678 -8.906 1.175) 9.707 4.072 ( -6.801 16.788 5.767) 19.009 4.217 ( -6.572 -11.310 -7.631) 15.144 4.770 ( 8.466 13.706 -7.826) 17.910 5.244 ( 0.806 -8.306 -4.858) 9.656 5.760 ( -23.029 -14.879 3.647) 27.659 6.534 ( 9.093 -6.979 11.367) 16.142 6.737 ( 1.409 -7.199 6.753) 9.970 7.414 ( 0.886 -0.384 4.340) 4.446 7.788 ( 10.634 0.387 5.168) 11.829 8.185 ( 4.787 -2.375 -3.386) 6.326 8.847 ( 4.731 -2.276 3.242) 6.170 9.347 ( -20.751 5.593 -9.436) 23.472 9.423 ( -3.631 4.996 -9.110) 11.006 9.894 ( 6.028 3.119 -3.934) 7.845 10.331 ( 5.617 4.372 4.249) 8.290 12.146 ( -0.549 -4.270 0.101) 4.306 12.674 ( 1.021 6.527 -1.668) 6.814 13.414 ( 2.390 4.090 -5.317) 7.121 13.976 ( -0.790 8.588 -2.164) 8.892 14.458 ( -1.606 -8.746 13.469) 16.140 14.798 ( 1.854 -9.593 7.549) 12.347 15.164 ( -8.346 3.422 -17.650) 19.821 16.431 ( 4.782 7.275 -8.000) 11.823 16.703 ( -0.405 0.193 14.432) 14.439 17.606 ( 1.532 3.327 -0.439) 3.689 17.968 ( 2.436 -5.162 2.776) 6.347 18.200 ( -2.751 -1.757 -2.707) 4.241 ======================= Grid point 318 (173/226) ======================= q-point: (-0.27 -0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.983 ( 18.460 0.198 -0.163) 18.462 3.182 ( -0.225 -2.841 -3.431) 4.460 3.557 ( -6.251 -7.929 -0.535) 10.111 3.972 ( -5.335 -8.432 -5.938) 11.611 4.149 ( -5.242 14.761 5.426) 16.577 4.814 ( -18.381 -0.855 -5.302) 19.149 5.149 ( 2.559 1.762 5.110) 5.981 5.509 ( 2.413 4.583 -2.569) 5.782 6.604 ( 2.014 -9.965 12.857) 16.390 6.758 ( 2.194 -2.840 -1.172) 3.775 7.482 ( 2.995 0.332 6.374) 7.051 8.039 ( 14.602 -0.260 5.370) 15.561 8.242 ( 7.482 -2.886 -4.353) 9.125 8.883 ( -19.179 -2.272 -6.516) 20.383 8.936 ( -5.235 0.505 -0.574) 5.291 9.346 ( -4.145 2.544 -6.535) 8.146 9.993 ( 5.025 2.684 -2.286) 6.138 10.500 ( 6.672 4.461 2.552) 8.422 12.068 ( -2.087 -4.087 -1.238) 4.753 12.771 ( 3.179 4.361 -0.297) 5.405 13.448 ( 0.352 5.130 -4.666) 6.944 13.966 ( -1.215 -6.253 -2.326) 6.781 14.446 ( -2.927 -0.230 10.902) 11.291 14.567 ( -7.546 -16.717 -2.862) 18.563 15.176 ( 2.544 9.973 -5.449) 11.646 16.450 ( 1.116 -0.704 -6.792) 6.919 16.878 ( 1.867 11.776 13.122) 17.730 17.659 ( 2.123 0.674 0.397) 2.263 17.991 ( 4.251 -4.115 1.212) 6.039 18.114 ( -4.062 0.186 -2.212) 4.629 ======================= Grid point 319 (174/226) ======================= q-point: (-0.18 -0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.063 ( -0.775 -8.366 -2.803) 8.857 3.326 ( 20.334 -0.329 -1.194) 20.371 3.382 ( -7.507 -2.765 -1.073) 8.072 3.733 ( -13.448 -10.541 -2.985) 17.346 4.286 ( 4.059 10.150 2.522) 11.218 4.395 ( -18.116 -2.306 1.110) 18.296 5.368 ( 6.999 11.512 8.299) 15.824 5.725 ( 11.232 16.925 -6.658) 21.376 6.597 ( -1.472 -4.898 7.149) 8.790 6.733 ( 2.370 -6.663 -1.264) 7.184 7.568 ( 2.980 -1.734 3.762) 5.103 8.185 ( -17.169 1.491 -1.092) 17.268 8.317 ( 8.604 -1.725 1.226) 8.860 8.438 ( -2.309 -3.339 -11.403) 12.104 8.935 ( -0.321 -7.410 5.404) 9.177 9.290 ( -2.308 3.355 -2.648) 4.858 10.078 ( 3.908 0.517 -0.485) 3.972 10.650 ( 4.706 3.803 1.434) 6.218 12.015 ( 0.311 -1.947 -0.642) 2.073 12.837 ( 1.849 0.673 1.178) 2.293 13.459 ( -2.783 5.917 -4.045) 7.689 13.778 ( -6.183 -15.011 -1.969) 16.354 14.351 ( -0.626 -9.450 -3.709) 10.172 14.497 ( -0.120 4.338 6.891) 8.144 15.246 ( 0.679 2.325 -2.130) 3.226 16.410 ( -1.838 -1.065 -0.972) 2.336 17.075 ( -0.115 13.821 3.791) 14.332 17.684 ( 1.940 -2.677 0.117) 3.308 18.018 ( -0.084 -0.298 1.803) 1.829 18.095 ( 3.334 1.010 -1.191) 3.682 ======================= Grid point 324 (175/226) ======================= q-point: ( 0.27 0.64 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.606 ( 10.079 14.175 4.334) 17.925 3.049 ( -6.540 3.204 7.061) 10.144 3.589 ( 15.302 -5.926 5.628) 17.348 4.060 ( -0.957 -15.268 1.678) 15.390 4.330 ( -17.113 10.184 -6.097) 20.826 4.570 ( 0.506 -5.111 0.922) 5.218 5.418 ( -4.472 -0.808 -11.063) 11.960 5.990 ( -2.043 -23.283 -8.305) 24.804 6.503 ( -3.597 4.974 8.160) 10.211 7.216 ( 9.606 -1.003 -14.573) 17.483 7.506 ( 18.231 5.064 -0.095) 18.921 8.017 ( 6.784 0.782 -0.699) 6.865 8.051 ( 2.687 6.246 -0.903) 6.859 8.845 ( -16.251 -16.152 15.353) 27.580 8.924 ( -4.661 5.777 2.831) 7.944 9.140 ( 4.930 1.119 1.558) 5.290 9.791 ( -1.869 7.079 1.554) 7.484 10.516 ( -3.695 4.207 -5.025) 7.524 12.097 ( -2.203 -5.073 1.773) 5.808 12.769 ( -3.062 4.391 -6.594) 8.493 13.143 ( 6.401 7.180 9.016) 13.184 13.918 ( -7.266 0.252 2.348) 7.640 14.531 ( 5.392 -7.147 12.561) 15.425 14.606 ( -5.526 -3.021 1.549) 6.485 15.275 ( 16.834 1.187 -8.465) 18.880 16.100 ( -6.209 3.477 5.447) 8.962 17.226 ( -5.397 4.398 -12.495) 14.304 17.638 ( 0.188 3.467 -1.715) 3.872 18.062 ( 3.699 -6.432 0.512) 7.437 18.131 ( -4.243 -1.119 -1.390) 4.603 ======================= Grid point 325 (176/226) ======================= q-point: ( 0.36 0.64 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.953 ( 6.021 17.259 1.888) 18.376 3.070 ( 1.104 3.821 7.217) 8.240 3.799 ( 10.911 -5.067 4.702) 12.916 3.910 ( -1.726 -10.826 1.092) 11.017 4.070 ( -10.908 0.920 -7.729) 13.400 4.546 ( -3.664 2.177 4.151) 5.949 5.345 ( 5.023 -6.051 -5.526) 9.612 5.697 ( 1.400 -24.970 -7.370) 26.072 6.509 ( -6.365 3.587 7.911) 10.768 7.225 ( 5.098 -4.257 -11.076) 12.915 7.670 ( 2.821 0.080 -6.011) 6.641 8.166 ( 2.646 9.599 -5.150) 11.210 8.283 ( 15.572 5.094 3.603) 16.775 8.427 ( -20.915 -20.756 12.682) 32.079 8.993 ( 1.247 9.242 6.452) 11.340 9.242 ( 7.440 -0.018 -1.562) 7.603 9.834 ( -3.745 8.251 1.888) 9.255 10.469 ( -4.473 5.198 -3.717) 7.800 12.041 ( -1.628 -3.501 3.785) 5.406 12.811 ( 4.809 8.452 -5.640) 11.241 13.270 ( -2.768 1.742 4.058) 5.213 13.864 ( -4.863 9.336 1.982) 10.711 14.477 ( -5.273 -7.582 10.958) 14.331 14.600 ( 3.799 -7.024 3.473) 8.708 15.462 ( 14.181 -2.769 -15.535) 21.216 16.124 ( -2.556 7.004 10.162) 12.604 17.058 ( -7.392 -1.025 -12.688) 14.720 17.649 ( -2.122 4.474 -2.127) 5.389 18.036 ( -2.601 -4.551 3.799) 6.474 18.107 ( 4.708 -2.105 -1.113) 5.276 ======================= Grid point 326 (177/226) ======================= q-point: ( 0.45 0.64 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.007 ( -8.738 2.189 0.369) 9.016 3.179 ( -2.519 4.839 1.373) 5.626 3.788 ( -1.205 -0.932 -2.917) 3.291 3.912 ( 8.029 -1.363 -0.479) 8.158 4.111 ( 9.835 6.499 -0.870) 11.820 4.534 ( -3.087 0.699 5.930) 6.722 5.313 ( 2.393 -15.383 -0.861) 15.591 5.585 ( 13.514 -12.618 0.215) 18.490 6.463 ( -6.443 0.804 5.875) 8.757 7.208 ( 6.150 -4.942 -8.812) 11.828 7.621 ( -5.784 1.485 -9.075) 10.863 7.877 ( -24.024 -22.238 16.685) 36.743 8.264 ( -1.360 7.813 -1.324) 8.040 8.545 ( 10.075 0.585 -2.660) 10.437 9.193 ( 7.111 9.684 1.245) 12.079 9.399 ( 12.281 1.315 -1.935) 12.502 9.844 ( -5.431 8.346 1.552) 10.078 10.413 ( -6.452 4.440 -0.985) 7.894 12.030 ( 0.254 -0.990 4.349) 4.467 12.974 ( 7.812 5.334 -6.143) 11.280 13.153 ( -10.257 2.505 -2.514) 10.854 13.950 ( -0.756 12.334 2.446) 12.597 14.428 ( -0.265 -8.904 14.850) 17.317 14.601 ( 2.351 -5.579 1.708) 6.290 15.497 ( 7.543 -4.435 -20.782) 22.549 16.251 ( -0.359 8.675 13.021) 15.651 16.834 ( -6.734 -5.069 -10.369) 13.363 17.634 ( -3.275 4.881 -2.006) 6.211 17.980 ( -1.201 -5.455 4.254) 7.021 18.173 ( 4.081 -0.231 0.590) 4.130 ======================= Grid point 327 (178/226) ======================= q-point: ( 0.55 0.64 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.786 ( -11.959 -1.333 -5.130) 13.081 3.170 ( -1.909 1.412 1.088) 2.612 3.734 ( 2.109 -9.273 -3.276) 10.059 4.109 ( 6.214 9.285 4.836) 12.174 4.285 ( 3.965 1.555 -6.130) 7.465 4.567 ( 3.316 7.182 0.063) 7.910 5.209 ( -0.562 -6.544 3.053) 7.243 5.830 ( 19.461 -6.073 10.498) 22.931 6.390 ( -4.732 -3.047 4.126) 6.979 7.166 ( -26.083 -19.334 1.392) 32.497 7.243 ( 7.949 -3.970 -5.338) 10.366 7.673 ( -1.966 -2.239 5.583) 6.328 8.247 ( -5.804 2.266 -0.319) 6.239 8.665 ( 6.282 1.297 -0.494) 6.434 9.368 ( 5.105 7.592 -6.543) 11.247 9.595 ( 11.936 0.001 -5.960) 13.341 9.838 ( -7.215 8.774 0.586) 11.374 10.339 ( -6.405 3.209 3.297) 7.886 12.081 ( 2.558 0.464 4.013) 4.781 12.881 ( -10.976 -0.332 -1.968) 11.156 13.194 ( 8.354 5.742 -10.938) 14.913 14.051 ( -1.227 7.984 1.485) 8.213 14.457 ( 1.572 -9.500 17.498) 19.972 14.624 ( 4.748 -1.802 0.382) 5.093 15.384 ( -0.551 -3.930 -21.866) 22.223 16.399 ( -2.268 11.229 7.233) 13.548 16.670 ( 0.099 -6.680 -0.555) 6.704 17.619 ( -2.414 4.424 -1.618) 5.293 17.940 ( -0.399 -5.821 4.664) 7.470 18.227 ( 1.304 1.016 0.440) 1.711 ======================= Grid point 328 (179/226) ======================= q-point: (-0.36 -0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.627 ( -0.679 -1.444 -5.402) 5.633 3.162 ( 0.300 -1.026 -0.243) 1.096 3.634 ( 0.397 -9.983 -5.647) 11.476 4.189 ( -4.809 -7.822 -2.071) 9.413 4.303 ( 0.915 8.524 6.965) 11.045 4.773 ( 6.797 21.127 -9.997) 24.341 5.219 ( -0.997 4.032 7.018) 8.155 6.006 ( -12.117 -5.572 6.464) 14.821 6.357 ( 9.426 -10.407 14.491) 20.178 6.676 ( -6.996 -16.399 0.516) 17.836 7.334 ( 8.237 -1.649 -2.274) 8.702 7.701 ( 3.404 -0.415 4.312) 5.509 8.151 ( -4.013 -1.404 -2.026) 4.709 8.785 ( 4.609 2.537 3.300) 6.211 9.412 ( -0.223 4.136 -10.154) 10.967 9.645 ( -8.773 1.177 -13.285) 15.964 9.785 ( 2.353 3.663 0.344) 4.367 10.354 ( 0.412 3.549 6.806) 7.686 12.127 ( 0.066 -1.554 2.053) 2.576 12.754 ( -4.734 4.575 -0.221) 6.587 13.289 ( 7.702 1.194 -12.015) 14.321 14.058 ( -2.905 -1.028 0.619) 3.143 14.495 ( 0.075 -4.179 13.928) 14.542 14.674 ( 3.769 -10.494 0.097) 11.150 15.201 ( -4.054 4.928 -17.896) 18.999 16.429 ( -2.372 6.536 -6.871) 9.776 16.763 ( 5.898 1.984 16.140) 17.298 17.621 ( -0.627 3.006 -1.150) 3.279 17.912 ( 0.475 -5.742 4.122) 7.084 18.235 ( -2.255 2.034 0.003) 3.037 ======================= Grid point 329 (180/226) ======================= q-point: (-0.27 -0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.673 ( 12.676 -3.785 -5.915) 14.491 3.129 ( -0.314 -7.535 -1.712) 7.734 3.512 ( -0.915 -5.114 -7.276) 8.941 4.013 ( -7.514 -2.670 -0.547) 7.993 4.383 ( -4.852 8.302 3.993) 10.412 5.026 ( 0.483 22.420 -8.980) 24.157 5.301 ( -5.119 9.948 9.846) 14.904 5.599 ( -15.872 -10.885 8.657) 21.103 6.480 ( 6.543 -18.762 13.279) 23.898 6.642 ( 7.387 -0.445 -1.353) 7.523 7.437 ( 5.441 0.158 0.221) 5.448 7.838 ( 11.069 -2.359 4.911) 12.337 8.106 ( 2.670 -0.690 -3.484) 4.443 8.888 ( 2.112 0.613 5.638) 6.052 9.229 ( -19.561 -2.809 -13.260) 23.799 9.410 ( -5.348 5.533 -9.877) 12.520 9.898 ( 6.681 0.875 -1.521) 6.908 10.466 ( 4.394 2.943 5.502) 7.632 12.076 ( -3.268 -3.001 0.327) 4.449 12.788 ( 0.481 5.980 0.457) 6.017 13.354 ( 7.979 0.766 -10.197) 12.970 13.946 ( -4.906 -8.641 -0.347) 9.943 14.481 ( -4.829 -19.874 -3.532) 20.756 14.553 ( -0.898 2.589 8.885) 9.298 15.189 ( 1.351 9.534 -9.342) 13.416 16.422 ( -0.149 5.099 -6.297) 8.104 17.013 ( 5.177 8.310 16.358) 19.065 17.634 ( 0.535 0.153 -0.843) 1.010 17.898 ( 2.211 -5.436 2.329) 6.314 18.201 ( -4.608 3.471 0.500) 5.791 ======================= Grid point 330 (181/226) ======================= q-point: (-0.18 -0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.877 ( 21.627 -6.862 -6.087) 23.492 2.973 ( -1.667 -14.811 -4.128) 15.466 3.420 ( -3.066 0.792 -7.293) 7.951 3.889 ( -10.453 2.004 1.524) 10.752 4.377 ( -4.495 7.589 -0.355) 8.827 4.835 ( -26.127 3.944 7.951) 27.594 5.488 ( 3.112 16.782 11.510) 20.586 5.664 ( 11.612 12.950 -1.961) 17.504 6.461 ( 7.611 -21.791 8.347) 24.545 6.696 ( -1.649 2.326 -1.237) 3.108 7.508 ( 3.346 -1.106 -0.934) 3.645 8.053 ( 14.455 -1.943 2.673) 14.828 8.176 ( 7.067 -0.617 -2.905) 7.666 8.697 ( -25.908 -4.743 -11.700) 28.820 8.937 ( -1.756 -2.546 4.433) 5.405 9.364 ( -2.847 6.431 -4.699) 8.458 9.993 ( 5.734 -1.487 -0.214) 5.928 10.604 ( 5.583 1.692 3.712) 6.915 12.009 ( -1.669 -1.565 0.757) 2.410 12.836 ( 0.001 2.747 -0.601) 2.812 13.447 ( 6.295 2.931 -7.269) 10.053 13.739 ( -6.877 -11.656 -1.830) 13.657 14.205 ( -2.041 -16.561 -4.453) 17.270 14.619 ( -1.265 3.753 7.677) 8.638 15.234 ( 0.722 4.268 -6.282) 7.629 16.442 ( -0.549 5.353 -2.618) 5.984 17.242 ( 0.227 11.221 9.851) 14.933 17.620 ( 1.097 -4.092 -0.830) 4.317 17.916 ( 4.858 -4.656 0.173) 6.731 18.180 ( -3.833 5.719 2.958) 7.493 ======================= Grid point 335 (182/226) ======================= q-point: ( 0.27 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.559 ( 12.476 9.011 6.260) 16.614 3.113 ( 7.182 -6.262 -0.136) 9.529 3.361 ( 3.575 -2.413 9.121) 10.089 4.021 ( -6.490 -6.093 -1.147) 8.975 4.429 ( -4.256 -5.144 -0.969) 6.746 4.878 ( -19.136 16.392 6.870) 26.117 5.515 ( -12.882 3.141 -12.901) 18.500 5.769 ( -2.355 -22.018 -10.455) 24.488 6.522 ( 14.385 0.835 4.153) 14.996 6.837 ( 10.851 -1.238 -18.175) 21.204 7.399 ( 6.101 6.255 4.678) 9.912 7.923 ( 7.447 6.090 -4.365) 10.564 8.062 ( 1.270 2.294 1.619) 3.081 8.956 ( -6.597 -15.621 11.198) 20.320 8.992 ( -0.220 -0.654 -0.379) 0.787 9.235 ( -7.781 3.286 9.113) 12.426 9.871 ( 1.251 6.189 1.507) 6.492 10.563 ( -0.821 3.855 -5.127) 6.467 12.081 ( -1.176 -4.500 -0.495) 4.677 12.826 ( -4.257 1.059 -3.609) 5.681 13.176 ( 5.415 9.779 9.316) 14.551 13.917 ( 2.998 -9.680 3.150) 10.612 14.348 ( 12.141 -10.259 8.053) 17.819 14.691 ( -2.301 -0.236 -3.756) 4.412 15.111 ( 1.058 5.276 -0.121) 5.383 16.293 ( -7.646 4.126 7.262) 11.324 17.289 ( -5.380 6.528 -14.101) 16.444 17.626 ( 2.182 0.194 0.062) 2.192 17.932 ( 5.267 -3.524 -1.119) 6.435 18.221 ( -7.415 -0.401 -1.689) 7.616 ======================= Grid point 336 (183/226) ======================= q-point: ( 0.36 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.956 ( 14.598 17.641 2.662) 23.052 3.114 ( -0.039 -2.711 3.655) 4.551 3.512 ( 12.061 -8.747 4.470) 15.555 3.875 ( -2.851 -7.783 4.397) 9.383 4.247 ( -10.953 -1.286 -4.911) 12.073 4.718 ( -11.806 -3.145 5.139) 13.255 5.301 ( -6.349 4.591 -11.373) 13.811 5.518 ( -5.035 -8.196 -3.641) 10.285 6.639 ( -2.638 0.054 4.871) 5.540 6.937 ( 14.933 -5.766 -16.531) 23.012 7.566 ( 6.769 2.692 -2.292) 7.637 8.104 ( 9.177 8.376 -0.270) 12.428 8.189 ( 6.115 7.898 0.181) 9.990 8.639 ( -16.701 -22.772 14.263) 31.638 9.037 ( 5.229 2.860 -5.806) 8.320 9.203 ( -4.346 0.696 8.789) 9.829 9.957 ( -0.615 7.154 1.660) 7.370 10.559 ( -2.301 6.103 -3.785) 7.541 12.039 ( -0.043 -3.259 1.736) 3.693 12.800 ( 0.564 4.319 -3.160) 5.381 13.348 ( -0.038 4.602 6.246) 7.758 13.913 ( 3.430 -5.100 3.658) 7.152 14.453 ( 7.959 -10.334 5.722) 14.243 14.573 ( -6.838 -3.331 -0.234) 7.609 15.207 ( 6.361 3.871 -7.412) 10.507 16.295 ( -3.610 5.486 9.205) 11.307 17.119 ( -9.196 1.649 -13.064) 16.061 17.672 ( 1.869 1.646 -0.842) 2.629 18.006 ( 5.716 0.104 0.434) 5.734 18.091 ( -5.882 -1.826 -0.425) 6.173 ======================= Grid point 337 (184/226) ======================= q-point: ( 0.45 0.73 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.127 ( -1.142 -0.860 4.352) 4.581 3.254 ( -0.575 9.535 -3.391) 10.136 3.580 ( 9.675 -10.474 -3.907) 14.784 3.864 ( 3.195 -6.066 7.958) 10.504 4.118 ( -1.434 13.617 -4.468) 14.403 4.516 ( -1.678 -18.568 2.055) 18.756 5.286 ( 1.391 9.129 -2.969) 9.700 5.414 ( -4.019 1.307 5.868) 7.232 6.581 ( -4.947 -2.944 4.117) 7.077 6.983 ( 8.289 -4.643 -12.220) 15.479 7.625 ( 1.136 2.641 -7.528) 8.058 8.106 ( -19.857 -24.273 8.440) 32.476 8.327 ( 2.712 8.941 -1.964) 9.547 8.430 ( 6.988 4.946 5.325) 10.082 9.142 ( 9.864 1.020 -7.028) 12.155 9.232 ( 2.500 0.072 6.459) 6.927 10.002 ( -3.056 7.027 1.777) 7.866 10.551 ( -4.439 6.057 -0.847) 7.557 12.037 ( 0.739 -1.482 3.394) 3.777 12.871 ( 5.070 4.263 -5.333) 8.504 13.320 ( -8.280 0.741 0.933) 8.365 13.978 ( 5.441 -3.641 4.822) 8.131 14.438 ( -2.406 -5.227 0.482) 5.775 14.515 ( 3.900 -5.563 6.110) 9.137 15.270 ( 4.539 2.498 -13.161) 14.144 16.382 ( 1.227 3.686 11.067) 11.729 16.888 ( -10.762 0.543 -10.454) 15.014 17.698 ( -0.595 2.829 -1.356) 3.194 17.992 ( -3.377 -3.442 1.612) 5.084 18.118 ( 4.979 2.700 1.646) 5.898 ======================= Grid point 338 (185/226) ======================= q-point: (-0.45 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.971 ( -14.871 -4.145 -2.717) 15.675 3.214 ( -2.641 -0.577 -1.003) 2.884 3.558 ( 3.608 -8.396 -6.892) 11.446 4.002 ( 13.092 -4.856 4.501) 14.671 4.277 ( -1.449 3.602 -0.366) 3.900 4.456 ( 11.854 7.102 -5.754) 14.969 5.393 ( -8.277 15.684 11.064) 20.903 5.556 ( 16.087 -0.326 11.263) 19.641 6.480 ( -6.235 -3.679 3.922) 8.234 7.015 ( 8.486 -3.278 -9.663) 13.271 7.405 ( -23.637 -16.572 -6.728) 29.641 7.701 ( -3.215 -9.291 7.676) 12.473 8.354 ( -4.805 0.969 -1.032) 5.010 8.618 ( 5.511 7.968 2.121) 9.918 9.291 ( 9.771 3.194 -7.804) 12.907 9.341 ( 9.125 -2.227 -1.795) 9.562 10.019 ( -4.606 6.733 1.856) 8.366 10.507 ( -7.064 3.929 2.531) 8.470 12.078 ( 1.900 0.372 4.306) 4.721 12.938 ( 2.990 0.330 -6.368) 7.042 13.163 ( -8.221 2.406 -4.842) 9.840 14.042 ( 4.655 -8.384 5.505) 11.057 14.394 ( 3.711 -8.712 2.597) 9.819 14.577 ( 1.731 2.523 3.192) 4.422 15.247 ( 0.904 2.437 -15.995) 16.205 16.530 ( 6.513 -1.001 11.195) 12.990 16.678 ( -11.175 5.152 -5.032) 13.295 17.692 ( -2.464 3.650 -1.869) 4.784 17.930 ( -1.501 -4.959 3.914) 6.493 18.228 ( 2.785 4.373 1.675) 5.448 ======================= Grid point 339 (186/226) ======================= q-point: (-0.36 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.662 ( -11.015 -6.794 -5.337) 13.999 3.146 ( -2.219 -4.343 -0.520) 4.904 3.485 ( 2.238 -7.145 -7.467) 10.574 4.135 ( 7.081 -10.466 0.156) 12.637 4.313 ( 3.806 7.341 4.878) 9.601 4.776 ( 10.451 24.862 -12.040) 29.535 5.471 ( -9.212 14.208 15.171) 22.735 5.978 ( 20.179 2.584 16.916) 26.458 6.349 ( -8.951 -5.941 6.206) 12.407 6.708 ( -22.097 -25.004 -5.310) 33.789 7.139 ( 9.807 -0.970 -4.119) 10.682 7.675 ( 0.975 -2.396 1.233) 2.865 8.223 ( -7.254 -3.250 -0.751) 7.984 8.791 ( 3.809 7.984 3.532) 9.525 9.371 ( 2.517 2.809 -8.475) 9.276 9.460 ( 11.073 -3.341 -9.961) 15.265 9.960 ( -9.695 3.985 -0.955) 10.525 10.456 ( -4.524 2.125 6.191) 7.957 12.135 ( 0.664 0.192 3.758) 3.821 12.888 ( -5.274 1.992 0.678) 5.678 13.100 ( 4.025 0.738 -13.439) 14.048 14.025 ( 1.365 -11.628 4.387) 12.503 14.395 ( 6.921 -14.175 0.556) 15.784 14.629 ( -1.977 4.711 0.815) 5.173 15.190 ( -0.376 5.825 -13.549) 14.753 16.524 ( -5.133 3.009 -5.003) 7.773 16.762 ( 6.752 4.317 15.698) 17.625 17.672 ( -2.562 3.476 -1.987) 4.754 17.887 ( -0.763 -5.734 4.672) 7.436 18.303 ( -0.690 5.385 1.459) 5.622 ======================= Grid point 340 (187/226) ======================= q-point: (-0.27 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.456 ( 0.939 -9.496 -7.422) 12.089 3.021 ( -1.785 -14.641 -2.504) 14.960 3.451 ( 1.853 2.310 -5.901) 6.602 4.120 ( -2.956 1.408 2.809) 4.314 4.492 ( 3.105 9.147 0.950) 9.706 5.120 ( 9.588 27.180 -11.045) 30.865 5.522 ( -6.075 2.666 13.066) 14.653 5.922 ( -27.779 -12.837 10.467) 32.342 6.291 ( 2.061 -9.676 3.942) 10.649 6.499 ( 13.155 0.913 9.330) 16.153 7.298 ( 10.600 1.111 -3.554) 11.235 7.698 ( 5.056 -3.928 2.280) 6.796 8.094 ( -3.482 -1.919 -1.068) 4.116 8.926 ( 1.273 5.992 4.066) 7.352 9.324 ( -5.736 -1.913 -10.030) 11.711 9.443 ( -0.032 -1.584 -14.004) 14.093 9.848 ( -2.859 1.473 0.038) 3.216 10.477 ( 0.559 0.523 6.263) 6.309 12.121 ( -3.609 -1.367 2.106) 4.397 12.878 ( -2.907 5.895 3.436) 7.417 13.120 ( 9.734 -2.102 -13.588) 16.847 13.925 ( -2.577 -10.981 1.766) 11.417 14.296 ( 1.190 -19.019 -5.677) 19.884 14.633 ( -1.684 2.831 3.310) 4.670 15.204 ( 0.935 8.612 -8.840) 12.377 16.478 ( -3.026 7.253 -4.476) 9.045 17.042 ( 9.943 4.209 16.522) 19.737 17.651 ( -2.157 2.391 -1.941) 3.760 17.847 ( -0.329 -6.105 3.537) 7.063 18.327 ( -3.864 5.890 1.797) 7.269 ======================= Grid point 341 (188/226) ======================= q-point: (-0.18 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.438 ( 14.686 -11.327 -8.731) 20.499 2.788 ( -1.474 -21.799 -5.719) 22.585 3.477 ( -2.524 8.279 -5.218) 10.106 4.109 ( -7.372 7.414 4.765) 11.489 4.556 ( -6.242 11.237 -1.491) 12.941 5.290 ( -15.655 -7.910 8.999) 19.713 5.489 ( 14.194 6.289 -5.627) 16.513 5.731 ( -6.546 16.415 13.011) 21.945 6.236 ( 1.213 -7.962 2.198) 8.348 6.739 ( 3.374 2.918 9.454) 10.453 7.415 ( 5.586 0.039 -5.546) 7.871 7.830 ( 12.315 -3.219 4.954) 13.659 8.073 ( 2.657 -0.072 -2.429) 3.600 8.946 ( -18.098 -4.897 -8.898) 20.753 8.985 ( -4.057 -0.749 -1.946) 4.562 9.422 ( 0.609 5.736 -4.919) 7.581 9.871 ( 4.776 -3.081 -0.463) 5.703 10.549 ( 4.189 -1.119 4.697) 6.393 12.051 ( -3.840 -0.949 2.101) 4.479 12.886 ( -2.761 2.912 -0.743) 4.081 13.240 ( 12.947 -0.861 -6.843) 14.669 13.756 ( -6.744 -7.116 -2.404) 10.095 14.052 ( -2.733 -18.914 -4.896) 19.728 14.673 ( 1.119 0.607 4.458) 4.637 15.245 ( -0.091 6.945 -6.436) 9.470 16.499 ( -0.850 8.808 -4.238) 9.811 17.341 ( 8.355 5.479 14.405) 17.531 17.601 ( -4.272 -0.555 -2.601) 5.032 17.812 ( 1.930 -5.576 0.770) 5.951 18.328 ( -4.327 6.396 3.782) 8.598 ======================= Grid point 401 (189/226) ======================= q-point: ( 0.27 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.752 ( -0.000 0.000 30.360) 30.360 1.752 ( -0.000 0.000 30.360) 30.360 2.791 ( -0.000 0.000 38.332) 38.332 4.390 ( 0.000 -0.000 -4.695) 4.695 5.131 ( 0.000 -0.000 -23.411) 23.411 5.131 ( 0.000 -0.000 -23.411) 23.411 5.882 ( 0.000 -0.000 -11.774) 11.774 7.010 ( -0.000 0.000 4.129) 4.129 7.010 ( -0.000 -0.000 4.129) 4.129 7.666 ( -0.000 0.000 13.134) 13.134 7.666 ( -0.000 0.000 13.134) 13.134 8.261 ( 0.000 -0.000 -6.931) 6.931 8.404 ( -0.000 0.000 -0.747) 0.747 8.404 ( 0.000 -0.000 -0.747) 0.747 8.784 ( 0.000 0.000 -2.696) 2.696 8.784 ( 0.000 -0.000 -2.696) 2.696 9.381 ( 0.000 -0.000 -11.144) 11.144 9.857 ( -0.000 0.000 10.126) 10.126 12.216 ( -0.000 0.000 2.566) 2.566 12.216 ( -0.000 0.000 2.566) 2.566 12.696 ( 0.000 0.000 -5.019) 5.019 12.696 ( 0.000 0.000 -5.019) 5.019 14.784 ( -0.000 0.000 1.500) 1.500 14.784 ( -0.000 0.000 1.500) 1.500 15.490 ( -0.000 0.000 1.306) 1.306 16.686 ( 0.000 -0.000 -0.675) 0.675 17.189 ( 0.000 0.000 -0.180) 0.180 17.189 ( 0.000 0.000 -0.180) 0.180 18.137 ( -0.000 0.000 4.501) 4.501 18.582 ( 0.000 -0.000 -3.675) 3.675 ======================= Grid point 402 (190/226) ======================= q-point: ( 0.36 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( 4.133 -5.622 27.809) 28.671 2.188 ( 11.777 7.901 27.049) 30.541 3.107 ( 8.594 8.890 25.525) 28.363 4.287 ( -6.859 -4.626 -3.554) 9.005 4.770 ( -7.271 -8.856 -19.065) 22.244 5.135 ( -0.450 8.825 -22.959) 24.601 5.850 ( 2.795 1.512 -6.930) 7.624 6.832 ( -17.543 -6.935 5.318) 19.599 7.059 ( -0.590 -4.112 1.822) 4.536 7.381 ( -14.728 -5.593 11.425) 19.461 7.950 ( 4.207 -7.954 1.167) 9.073 8.046 ( -5.605 -12.545 -0.238) 13.742 8.232 ( -3.160 2.557 6.417) 7.596 8.516 ( 2.039 4.236 1.947) 5.088 8.861 ( 1.672 5.761 -2.657) 6.561 8.993 ( 13.344 12.111 -8.082) 19.750 9.333 ( 0.699 1.680 -8.723) 8.911 9.978 ( 6.830 1.486 6.185) 9.333 12.171 ( -3.056 3.345 2.473) 5.162 12.406 ( 12.112 2.033 3.626) 12.805 12.599 ( 0.944 -4.363 -6.288) 7.711 12.880 ( 11.545 11.883 -4.938) 17.288 14.748 ( -3.935 -1.704 1.152) 4.440 14.767 ( -1.642 -1.875 2.719) 3.689 15.549 ( 4.028 2.397 2.539) 5.331 16.544 ( -10.344 -8.001 -1.224) 13.135 17.163 ( -1.607 -0.686 -1.147) 2.090 17.261 ( 5.666 2.402 -1.150) 6.261 18.150 ( -1.234 -0.591 4.500) 4.704 18.540 ( -2.442 0.135 -4.098) 4.772 ======================= Grid point 403 (191/226) ======================= q-point: ( 0.45 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.077 ( 11.505 -5.150 21.011) 24.502 2.556 ( 8.103 2.968 24.391) 25.873 3.474 ( 10.638 12.528 2.527) 16.629 4.076 ( -8.437 -6.563 0.324) 10.694 4.526 ( -3.686 -4.822 -11.897) 13.356 5.045 ( -5.839 11.243 -20.010) 23.683 5.946 ( 7.332 4.660 1.695) 8.852 6.372 ( -28.101 -13.004 5.940) 31.529 6.897 ( -12.365 -5.814 -0.619) 13.677 7.263 ( -2.441 -4.746 6.746) 8.602 7.777 ( 1.062 -19.310 -8.079) 20.959 7.913 ( 1.539 -7.472 1.448) 7.765 8.361 ( -1.889 4.830 8.953) 10.346 8.616 ( 1.571 6.911 3.615) 7.956 8.877 ( -2.245 4.696 -0.142) 5.207 9.154 ( 3.006 2.917 -9.134) 10.048 9.415 ( 6.114 10.156 -1.836) 11.996 10.152 ( 9.104 1.714 0.795) 9.298 12.192 ( -3.030 6.588 3.379) 8.000 12.547 ( 2.114 2.103 -7.269) 7.857 12.689 ( 17.617 -6.549 5.165) 19.492 13.199 ( 12.786 16.437 -3.681) 21.147 14.666 ( -4.202 -1.098 1.225) 4.512 14.740 ( -1.507 -2.598 4.210) 5.172 15.671 ( 4.071 1.541 6.221) 7.593 16.226 ( -13.622 -11.241 -4.236) 18.162 17.116 ( -0.415 -2.013 -3.950) 4.453 17.375 ( 6.017 2.638 -1.933) 6.849 18.144 ( -1.711 -0.556 3.924) 4.316 18.454 ( -5.241 0.439 -4.489) 6.915 ======================= Grid point 404 (192/226) ======================= q-point: ( 0.55 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.316 ( 9.309 -4.113 12.787) 16.343 2.828 ( 6.579 2.382 18.858) 20.114 3.705 ( 11.053 3.999 -4.452) 12.569 3.925 ( -5.549 -3.392 -0.042) 6.504 4.401 ( -3.644 2.372 -6.785) 8.059 4.919 ( -9.053 9.397 -15.345) 20.143 5.799 ( -24.760 -11.381 0.185) 27.252 6.193 ( 9.194 4.704 9.726) 14.186 6.603 ( -14.242 -4.012 -3.697) 15.251 7.223 ( 0.401 -6.720 1.707) 6.945 7.588 ( 2.481 -19.216 -6.253) 20.360 7.929 ( 3.696 -1.814 0.919) 4.218 8.270 ( -11.800 -1.105 -0.985) 11.892 8.712 ( 1.213 5.715 0.610) 5.874 8.968 ( 4.946 1.830 9.439) 10.812 9.159 ( -2.135 6.538 -0.757) 6.919 9.588 ( 4.820 6.638 -0.519) 8.220 10.305 ( 7.672 2.664 -3.291) 8.763 12.214 ( -3.305 4.817 2.137) 6.220 12.587 ( 3.627 4.919 -5.851) 8.461 12.924 ( 13.403 -8.202 7.234) 17.299 13.551 ( 12.808 15.962 -1.390) 20.513 14.635 ( -1.217 2.402 2.812) 3.894 14.713 ( -2.187 -3.235 5.644) 6.864 15.646 ( -10.384 -15.757 4.037) 19.298 15.980 ( -1.178 3.810 -2.568) 4.743 17.072 ( 2.102 -2.507 -7.688) 8.355 17.481 ( 5.453 1.998 -1.983) 6.137 18.137 ( -1.108 0.321 2.431) 2.691 18.325 ( -7.139 -0.165 -4.205) 8.287 ======================= Grid point 405 (193/226) ======================= q-point: ( 0.64 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.452 ( 4.101 -2.479 8.046) 9.365 3.040 ( 5.004 3.451 9.728) 11.471 3.720 ( -9.917 -9.297 7.113) 15.342 4.019 ( 21.160 5.213 -4.601) 22.273 4.321 ( -8.790 5.239 -2.880) 10.630 4.730 ( -11.392 2.135 -8.010) 14.089 5.423 ( -7.768 -2.156 -7.277) 10.860 6.303 ( -10.587 2.767 -3.061) 11.363 6.451 ( 5.610 0.346 1.609) 5.846 7.144 ( -4.155 -6.562 -4.492) 8.973 7.378 ( -2.115 -19.799 -0.213) 19.913 7.914 ( -3.623 -2.746 -6.975) 8.325 8.114 ( -3.612 2.455 2.168) 4.875 8.789 ( 5.590 -0.552 -2.194) 6.031 9.100 ( 4.828 -2.325 8.132) 9.739 9.242 ( -4.461 13.830 13.074) 19.547 9.701 ( 4.083 3.142 -0.182) 5.155 10.414 ( 5.416 2.998 -5.554) 8.317 12.200 ( -3.075 2.527 -0.299) 3.992 12.677 ( 3.635 6.811 -4.058) 8.721 13.043 ( 5.732 -9.456 9.141) 14.347 13.886 ( 10.473 12.240 0.265) 16.111 14.642 ( -3.230 -1.824 0.959) 3.832 14.733 ( 0.246 3.829 13.575) 14.106 15.224 ( -13.729 -19.275 -7.498) 24.824 16.105 ( 4.044 7.752 5.994) 10.601 17.050 ( 5.199 -2.672 -11.693) 13.073 17.563 ( 3.825 0.864 -1.292) 4.129 18.132 ( -2.435 0.133 -4.173) 4.833 18.192 ( -4.551 0.904 1.116) 4.772 ======================= Grid point 406 (194/226) ======================= q-point: (-0.27 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.512 ( -0.817 -1.088 7.042) 7.172 3.152 ( 0.727 0.675 0.831) 1.294 3.499 ( -10.175 -7.159 8.775) 15.225 4.171 ( -8.207 2.475 -0.096) 8.573 4.428 ( 10.644 4.210 -6.406) 13.117 4.610 ( 11.057 -0.706 7.503) 13.381 5.405 ( 6.138 9.160 -12.569) 16.720 6.141 ( -12.304 11.575 -8.136) 18.750 6.518 ( 3.605 -5.471 -0.537) 6.574 6.761 ( -20.238 -15.108 -12.207) 28.051 7.275 ( 4.243 -11.006 4.914) 12.779 7.787 ( -0.464 -6.274 -5.449) 8.322 8.119 ( -3.753 4.627 1.602) 6.169 8.853 ( 6.649 -2.523 -4.331) 8.327 9.227 ( 3.505 2.694 9.996) 10.930 9.368 ( -4.527 7.641 17.040) 19.215 9.790 ( 3.208 2.870 -0.072) 4.306 10.474 ( 3.205 1.897 -6.353) 7.364 12.163 ( -3.036 1.904 -1.775) 4.000 12.780 ( 3.660 6.625 -3.543) 8.357 13.078 ( 3.151 -9.391 11.419) 15.117 14.062 ( -1.890 4.827 0.465) 5.205 14.556 ( -7.244 -4.161 7.249) 11.061 14.718 ( -10.876 -8.804 -0.934) 14.023 14.993 ( 7.806 1.296 1.292) 8.018 16.294 ( 4.663 7.575 7.528) 11.653 17.049 ( 7.742 -3.739 -15.151) 17.421 17.610 ( 1.652 0.717 0.177) 1.809 17.993 ( -6.285 -2.278 -4.859) 8.264 18.231 ( 2.087 4.677 0.505) 5.146 ======================= Grid point 413 (195/226) ======================= q-point: ( 0.36 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.071 ( -7.745 6.547 26.609) 28.476 2.314 ( 2.871 12.237 23.925) 27.026 3.228 ( 2.867 5.412 20.786) 21.669 4.287 ( -0.815 -5.274 -2.263) 5.797 4.615 ( -2.883 -14.052 -17.854) 22.903 5.005 ( 6.268 4.088 -22.801) 23.998 5.826 ( 0.115 5.489 -4.041) 6.817 6.910 ( 3.417 -11.249 4.812) 12.703 7.051 ( -3.430 -7.649 1.696) 8.553 7.433 ( 3.167 -17.044 9.784) 19.906 7.919 ( -10.995 -8.303 0.707) 13.796 7.976 ( -4.923 -14.996 -0.601) 15.795 8.262 ( 4.875 -2.599 6.424) 8.472 8.652 ( -0.689 15.353 1.325) 15.425 8.822 ( 2.645 8.463 -3.913) 9.692 8.897 ( 4.881 9.381 -7.181) 12.783 9.332 ( 1.548 8.295 -7.859) 11.531 10.005 ( -1.884 3.933 5.744) 7.212 12.175 ( 4.414 -2.905 2.390) 5.799 12.426 ( -4.735 10.991 5.162) 13.033 12.635 ( -6.309 6.104 -8.059) 11.917 12.804 ( 6.977 12.856 -4.272) 15.239 14.750 ( 0.416 -4.929 1.343) 5.126 14.778 ( -0.674 -2.569 2.204) 3.451 15.568 ( 0.086 6.077 2.376) 6.526 16.547 ( -1.384 -12.084 -1.225) 12.225 17.155 ( 0.175 -3.490 -1.080) 3.657 17.248 ( -0.709 5.498 -0.756) 5.595 18.173 ( 0.094 -2.191 4.616) 5.110 18.516 ( 1.077 -2.020 -4.128) 4.720 ======================= Grid point 414 (196/226) ======================= q-point: ( 0.45 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.166 ( -3.999 6.891 23.528) 24.841 2.633 ( 5.502 6.203 22.667) 24.136 3.457 ( 5.782 8.740 0.697) 10.502 4.124 ( -6.829 -9.027 -0.092) 11.319 4.424 ( 1.399 -5.620 -9.203) 10.874 4.998 ( 4.132 3.584 -23.051) 23.691 5.930 ( 4.468 9.827 2.083) 10.994 6.683 ( -19.271 -15.326 5.456) 25.219 6.880 ( -2.983 -17.143 -1.818) 17.495 7.345 ( -3.217 -13.806 12.013) 18.582 7.584 ( -8.461 -13.178 -6.302) 16.881 7.806 ( 0.666 -10.199 2.615) 10.550 8.439 ( 9.264 -1.409 10.623) 14.165 8.708 ( -3.619 10.878 0.744) 11.489 8.882 ( -4.354 5.618 -9.210) 11.634 9.110 ( 9.010 11.677 -6.666) 16.186 9.451 ( 3.847 13.477 -3.723) 14.501 10.072 ( 3.448 2.505 3.340) 5.415 12.291 ( 4.791 4.384 2.737) 7.048 12.426 ( 1.032 -3.319 -1.092) 3.643 12.631 ( -2.623 14.155 -0.292) 14.399 13.117 ( 13.661 18.398 -4.955) 23.445 14.694 ( -1.875 -3.871 0.307) 4.312 14.751 ( -0.704 -3.859 4.080) 5.660 15.680 ( 2.645 6.189 4.437) 8.062 16.296 ( -10.435 -15.107 -1.585) 18.428 17.081 ( -1.713 -5.749 -2.201) 6.389 17.324 ( 3.287 5.323 -1.271) 6.384 18.170 ( -0.543 -2.840 4.053) 4.979 18.473 ( -1.241 -1.663 -4.994) 5.408 ======================= Grid point 415 (197/226) ======================= q-point: ( 0.55 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.350 ( 1.127 7.972 18.667) 20.330 2.879 ( 4.409 2.924 19.176) 19.892 3.559 ( 5.392 4.465 -11.176) 13.187 3.971 ( -4.644 -7.187 3.518) 9.252 4.395 ( 1.476 2.640 -6.413) 7.090 4.933 ( 0.778 1.958 -20.851) 20.957 6.106 ( -15.450 -5.142 2.198) 16.431 6.197 ( -5.751 -1.810 6.937) 9.191 6.586 ( -4.615 -21.994 -6.091) 23.284 7.238 ( -2.822 -12.055 11.695) 17.031 7.372 ( -1.660 -9.109 -3.061) 9.752 7.843 ( 6.619 -1.190 3.583) 7.620 8.520 ( -11.052 4.141 2.643) 12.094 8.749 ( -0.631 -3.507 -10.022) 10.637 8.816 ( 5.430 5.290 5.410) 9.314 9.279 ( 2.989 9.211 -0.948) 9.730 9.615 ( 2.619 11.571 -2.360) 12.096 10.199 ( 6.672 3.669 -0.589) 7.637 12.287 ( -4.064 2.095 -4.438) 6.372 12.585 ( 12.909 0.237 5.124) 13.890 12.741 ( 0.265 10.766 2.460) 11.047 13.491 ( 12.827 17.612 -3.628) 22.088 14.655 ( 0.063 0.261 -0.419) 0.498 14.733 ( -0.361 -4.076 6.040) 7.296 15.694 ( -8.952 -13.320 5.094) 16.838 16.044 ( -2.716 2.458 -0.953) 3.785 16.980 ( -0.738 -6.502 -4.421) 7.897 17.425 ( 3.947 4.515 -1.303) 6.137 18.155 ( -0.474 -2.364 2.520) 3.488 18.379 ( -4.057 -2.138 -5.210) 6.941 ======================= Grid point 416 (198/226) ======================= q-point: ( 0.64 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.534 ( -1.268 9.986 13.059) 16.489 3.065 ( 3.383 2.810 11.085) 11.925 3.714 ( 16.454 3.957 -4.741) 17.575 3.824 ( -7.789 -8.615 6.000) 13.072 4.401 ( -0.873 3.580 -8.384) 9.158 4.810 ( -4.086 -0.711 -14.484) 15.066 5.565 ( -20.920 -12.309 -1.074) 24.296 6.243 ( 3.773 -19.641 -11.453) 23.047 6.412 ( -0.288 5.496 3.215) 6.374 7.170 ( 0.191 -11.326 9.977) 15.095 7.276 ( -4.084 -3.315 2.214) 5.706 7.979 ( 0.955 5.171 1.296) 5.415 8.258 ( -15.857 3.793 -6.195) 17.442 8.689 ( 2.262 -4.675 -4.730) 7.025 9.020 ( 8.947 1.260 8.609) 12.479 9.392 ( 1.922 2.272 6.165) 6.846 9.730 ( 1.130 10.327 -1.968) 10.574 10.332 ( 5.507 5.218 -3.945) 8.551 12.218 ( -1.405 -0.336 -5.699) 5.880 12.769 ( -0.680 9.967 4.492) 10.954 12.886 ( 8.387 -1.834 5.609) 10.255 13.823 ( 11.504 13.535 -1.891) 17.864 14.659 ( -0.629 -2.456 0.466) 2.578 14.778 ( 3.502 3.674 5.160) 7.238 15.276 ( -17.179 -22.471 1.959) 28.353 16.174 ( 3.402 11.602 4.737) 12.986 16.886 ( 1.496 -6.767 -7.851) 10.473 17.519 ( 3.390 3.720 -0.682) 5.079 18.138 ( -0.842 -1.068 -1.523) 2.042 18.253 ( -4.263 -2.482 -2.731) 5.638 ======================= Grid point 417 (199/226) ======================= q-point: ( 0.73 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.655 ( -4.543 11.389 8.775) 15.078 3.162 ( 0.535 1.832 2.337) 3.017 3.635 ( -9.149 -8.515 7.422) 14.536 4.096 ( 21.725 3.333 3.060) 22.191 4.318 ( -2.657 -1.238 -7.099) 7.681 4.584 ( -9.017 -9.086 -1.076) 12.847 5.334 ( 1.856 4.998 -10.557) 11.827 6.066 ( 7.426 -16.766 -15.603) 24.077 6.439 ( -3.205 2.793 -1.242) 4.429 7.104 ( -12.027 -6.326 5.303) 14.587 7.156 ( -6.552 -0.314 6.503) 9.237 7.806 ( -11.693 0.338 -7.951) 14.144 8.231 ( -0.720 6.194 1.413) 6.394 8.690 ( 6.325 -3.337 -3.462) 7.945 9.221 ( 7.005 1.190 9.607) 11.949 9.450 ( 2.136 -6.847 9.757) 12.110 9.848 ( 1.196 11.652 -0.522) 11.725 10.423 ( 2.621 5.560 -5.630) 8.335 12.167 ( -0.033 -1.056 -5.301) 5.405 12.845 ( -2.505 8.695 2.027) 9.273 13.008 ( 4.761 -4.074 9.181) 11.115 14.078 ( 6.096 6.890 -1.285) 9.289 14.604 ( -1.723 -4.362 2.250) 5.202 14.754 ( -10.757 -14.758 -12.812) 22.308 14.995 ( 1.334 2.337 18.758) 18.950 16.373 ( 2.372 11.487 6.887) 13.602 16.809 ( 4.439 -6.766 -12.583) 14.960 17.599 ( 2.253 3.346 0.589) 4.076 18.035 ( -5.498 -2.403 -6.011) 8.493 18.229 ( 2.097 0.878 0.499) 2.327 ======================= Grid point 424 (200/226) ======================= q-point: ( 0.36 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.384 ( 2.729 17.108 21.318) 27.470 2.614 ( -10.509 8.100 17.321) 21.819 3.345 ( -3.186 2.120 5.795) 6.945 4.185 ( 6.575 -4.243 2.037) 8.086 4.458 ( -3.034 -9.952 -11.322) 15.377 4.784 ( 3.246 -4.540 -19.623) 20.401 5.914 ( -4.022 7.879 1.919) 9.052 6.611 ( 19.070 -18.844 7.066) 27.725 6.888 ( 4.509 -21.124 -0.807) 21.615 7.339 ( 2.317 -1.158 3.075) 4.021 7.884 ( 0.676 -8.771 -7.449) 11.527 7.973 ( -2.744 -3.182 -0.274) 4.211 8.288 ( -8.853 -7.257 9.395) 14.810 8.687 ( 7.698 12.361 3.709) 15.027 8.829 ( 7.118 1.761 -3.268) 8.028 9.035 ( -11.591 9.184 -4.679) 15.511 9.357 ( -0.364 9.237 -3.074) 9.742 10.135 ( -4.710 5.343 1.439) 7.266 12.118 ( -0.500 -4.828 3.579) 6.031 12.591 ( 4.489 11.963 -2.733) 13.066 12.829 ( -11.053 17.077 -0.419) 20.346 12.909 ( -8.970 7.894 -3.360) 12.412 14.678 ( 2.413 -5.587 1.333) 6.230 14.773 ( 0.152 -2.166 2.695) 3.461 15.684 ( -3.365 7.435 4.260) 9.206 16.344 ( 9.273 -12.768 -3.871) 16.248 17.103 ( 0.489 -3.453 -2.808) 4.478 17.335 ( -3.584 5.328 -1.418) 6.576 18.165 ( 0.763 -3.258 4.327) 5.470 18.429 ( 2.824 -4.271 -3.264) 6.072 ======================= Grid point 425 (201/226) ======================= q-point: ( 0.45 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.530 ( -12.895 9.796 15.810) 22.632 2.743 ( 4.429 8.812 16.993) 19.647 3.436 ( 4.707 6.344 -3.747) 8.743 4.149 ( -6.972 -9.270 0.786) 11.626 4.302 ( 3.729 -2.777 -0.836) 4.724 4.756 ( 8.181 -2.319 -20.691) 22.371 5.999 ( 1.367 11.096 3.664) 11.765 6.628 ( 2.105 -31.144 0.878) 31.228 6.719 ( 2.856 -16.449 2.028) 16.817 7.339 ( -4.552 -5.974 5.826) 9.505 7.640 ( -9.583 -10.648 -4.781) 15.102 7.782 ( -7.386 -9.768 5.820) 13.559 8.252 ( 7.740 -6.687 4.537) 11.190 8.866 ( -3.256 3.511 -4.461) 6.544 8.979 ( 8.126 14.273 -1.874) 16.530 9.086 ( -0.847 16.244 -2.788) 16.504 9.459 ( 4.446 10.818 -3.600) 12.238 10.117 ( -2.647 3.128 1.843) 4.493 12.156 ( 7.290 -2.372 3.238) 8.322 12.595 ( -14.986 4.840 -4.808) 16.465 12.826 ( 2.584 17.453 1.766) 17.732 13.085 ( 6.067 20.893 -3.590) 22.050 14.662 ( 1.066 -4.769 1.522) 5.118 14.750 ( -1.134 -3.876 3.336) 5.238 15.764 ( -0.552 9.488 4.414) 10.479 16.228 ( -1.812 -17.455 -4.309) 18.070 17.032 ( -1.142 -7.063 -1.867) 7.394 17.350 ( -0.282 6.102 -1.055) 6.198 18.160 ( 0.204 -4.511 4.059) 6.072 18.414 ( 1.787 -3.515 -3.737) 5.433 ======================= Grid point 426 (202/226) ======================= q-point: ( 0.55 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.562 ( -2.369 7.982 12.524) 15.039 2.965 ( 2.063 4.714 17.062) 17.821 3.494 ( 0.670 8.512 -13.511) 15.982 3.993 ( -3.869 -7.838 5.644) 10.404 4.364 ( 1.874 3.179 -0.557) 3.732 4.726 ( 6.661 -3.366 -20.778) 22.078 6.132 ( 1.772 -6.278 -1.465) 6.685 6.374 ( 2.466 -13.100 2.305) 13.528 6.430 ( -20.056 -19.236 0.577) 27.795 7.171 ( -2.997 -13.982 8.786) 16.783 7.450 ( -7.380 -3.703 4.610) 9.457 7.748 ( 5.640 -1.607 4.522) 7.405 8.386 ( 12.856 -8.890 3.079) 15.931 8.858 ( 0.049 4.196 -1.166) 4.356 8.987 ( -17.517 13.177 -6.837) 22.961 9.243 ( 7.211 8.671 -5.581) 12.583 9.640 ( 5.322 10.813 -3.766) 12.627 10.161 ( 2.924 3.460 2.310) 5.085 12.315 ( 7.048 -4.581 0.377) 8.414 12.424 ( -2.829 6.812 -2.400) 7.757 12.989 ( -5.056 17.506 5.000) 18.895 13.419 ( 12.559 18.883 -5.899) 23.433 14.654 ( 0.058 0.518 -0.511) 0.730 14.724 ( 0.514 -5.001 6.546) 8.253 15.756 ( -10.299 -12.556 3.131) 16.538 16.062 ( 2.523 2.261 -2.370) 4.134 16.921 ( -2.193 -8.050 -0.868) 8.389 17.419 ( 2.080 5.799 -0.804) 6.213 18.139 ( 0.160 -4.520 2.899) 5.372 18.362 ( -1.076 -3.706 -4.562) 5.975 ======================= Grid point 427 (203/226) ======================= q-point: ( 0.64 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.740 ( 2.738 10.621 11.660) 16.008 3.107 ( 1.604 2.187 9.415) 9.798 3.545 ( 4.782 10.027 -6.687) 12.966 3.892 ( -5.083 -8.332 7.769) 12.474 4.363 ( -1.031 -1.049 -9.187) 9.304 4.697 ( 5.312 1.195 -15.804) 16.715 5.820 ( -24.040 -21.685 -2.256) 32.454 5.901 ( -1.167 -24.656 -4.864) 25.158 6.487 ( 1.937 9.087 1.199) 9.368 7.089 ( 0.150 -13.031 10.256) 16.584 7.386 ( -3.370 0.939 9.003) 9.659 7.928 ( 10.403 3.039 5.659) 12.227 8.492 ( 6.978 -9.205 1.736) 11.681 8.669 ( -23.618 10.269 -13.409) 29.035 8.959 ( 5.743 2.741 3.726) 7.374 9.358 ( 4.107 1.423 -2.696) 5.115 9.775 ( 2.822 9.079 -3.747) 10.219 10.287 ( 5.197 5.544 0.343) 7.607 12.220 ( -4.172 -1.098 -6.390) 7.710 12.641 ( 13.376 0.063 5.482) 14.456 13.071 ( -7.014 15.498 3.923) 17.457 13.740 ( 11.408 13.124 -4.397) 17.937 14.638 ( -0.734 -2.842 -0.387) 2.960 14.789 ( 3.130 4.801 3.468) 6.698 15.348 ( -15.257 -23.400 4.137) 28.239 16.231 ( 6.218 12.302 -0.336) 13.788 16.801 ( -2.855 -7.710 0.027) 8.221 17.510 ( 2.758 5.251 -0.097) 5.932 18.119 ( 0.380 -3.157 0.622) 3.240 18.258 ( -3.112 -4.232 -4.289) 6.782 ======================= Grid point 428 (204/226) ======================= q-point: ( 0.73 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.928 ( -3.368 14.686 8.509) 17.304 3.180 ( 1.560 1.510 1.848) 2.851 3.727 ( -6.365 -6.130 4.364) 9.856 3.819 ( 15.291 3.740 5.555) 16.693 4.224 ( -0.168 -8.816 -10.509) 13.718 4.665 ( -6.755 -0.990 -7.113) 9.859 5.337 ( -8.651 -6.836 -3.917) 11.701 5.676 ( 4.966 -19.912 -10.084) 22.865 6.539 ( -3.545 6.034 -2.441) 7.412 7.038 ( 0.479 -11.365 10.289) 15.338 7.435 ( -2.961 4.984 11.113) 12.534 8.099 ( -15.000 6.742 -4.031) 16.933 8.263 ( -4.660 3.924 -3.959) 7.266 8.547 ( 4.767 -4.094 -3.729) 7.307 9.133 ( 9.105 -0.786 7.021) 11.525 9.378 ( 2.075 -6.473 1.093) 6.885 9.890 ( 3.695 8.875 -3.148) 10.116 10.418 ( 3.444 7.120 -1.631) 8.076 12.124 ( -1.356 -1.518 -5.939) 6.278 12.847 ( 8.268 -3.427 7.221) 11.500 13.111 ( -6.172 12.942 2.308) 14.523 13.996 ( 9.632 7.094 -2.579) 12.237 14.571 ( -1.668 -7.635 0.185) 7.817 14.750 ( -10.456 -5.157 -14.889) 18.910 15.100 ( 0.320 -5.606 21.843) 22.554 16.450 ( 7.078 12.155 -4.812) 14.866 16.685 ( -4.065 -5.839 2.715) 7.615 17.605 ( 2.447 4.749 1.085) 5.452 18.060 ( -4.112 -2.374 -4.659) 6.652 18.184 ( 1.845 -2.824 -0.591) 3.424 ======================= Grid point 435 (205/226) ======================= q-point: ( 0.36 0.55 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.568 ( 5.560 16.072 10.771) 20.131 2.923 ( -4.363 5.622 17.730) 19.105 3.484 ( -13.436 4.837 -10.228) 17.565 4.064 ( 8.071 -2.102 8.551) 11.945 4.343 ( 1.680 -6.566 -6.692) 9.525 4.623 ( -4.573 -9.598 -14.145) 17.695 5.990 ( 15.000 -12.464 2.404) 19.650 6.222 ( 1.136 0.747 10.330) 10.419 6.558 ( 6.738 -24.593 -2.873) 25.661 7.303 ( 3.149 1.413 -2.554) 4.294 7.755 ( 2.583 -2.089 -8.509) 9.134 7.972 ( 1.341 3.994 -4.951) 6.501 8.383 ( 3.640 -1.398 4.616) 6.042 8.694 ( -0.990 -4.720 7.387) 8.822 8.771 ( -4.070 0.540 3.362) 5.307 9.189 ( -0.629 7.783 -3.661) 8.624 9.509 ( -6.461 8.541 2.224) 10.938 10.257 ( -4.321 4.923 -2.272) 6.933 12.133 ( -3.470 -5.751 5.219) 8.506 12.583 ( 4.307 10.949 -6.408) 13.397 13.100 ( -3.574 11.200 2.827) 12.091 13.251 ( -19.376 12.237 -0.363) 22.919 14.611 ( 0.474 -4.132 2.448) 4.826 14.762 ( 0.913 -2.216 3.187) 3.987 15.854 ( -3.215 7.169 8.482) 11.561 15.973 ( 15.150 -12.369 -8.973) 21.517 17.043 ( -0.025 -2.260 -6.324) 6.716 17.441 ( -4.205 5.183 -1.869) 6.931 18.142 ( 0.786 -3.404 3.219) 4.751 18.311 ( 3.735 -5.426 -2.050) 6.899 ======================= Grid point 436 (206/226) ======================= q-point: ( 0.45 0.55 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.788 ( -3.578 4.336 -0.551) 5.648 2.960 ( -6.304 10.573 18.091) 21.882 3.395 ( 2.568 9.396 -9.616) 13.688 4.173 ( -3.291 -7.573 0.206) 8.260 4.248 ( 4.066 -1.544 8.507) 9.555 4.503 ( 4.501 -2.661 -13.054) 14.062 6.110 ( 4.279 2.577 5.402) 7.358 6.230 ( 4.200 -30.015 0.921) 30.321 6.440 ( 9.842 -16.023 2.509) 18.971 7.353 ( 2.969 0.696 -1.620) 3.453 7.614 ( -5.234 -8.966 -8.687) 13.537 7.923 ( -10.870 -3.204 3.463) 11.850 8.200 ( -7.168 -10.009 8.442) 14.927 8.781 ( 9.425 -2.086 -4.958) 10.851 8.962 ( 6.498 13.348 -1.162) 14.891 9.261 ( 0.844 15.339 -0.190) 15.363 9.535 ( -3.194 8.903 1.036) 9.515 10.213 ( -4.531 3.246 -1.042) 5.670 12.089 ( 0.773 -2.930 4.562) 5.477 12.826 ( 11.722 15.399 -4.404) 19.848 12.877 ( -17.555 2.575 -5.609) 18.608 13.326 ( -5.392 22.908 4.261) 23.917 14.607 ( 1.730 -3.497 3.326) 5.127 14.750 ( -0.845 -3.857 3.002) 4.960 15.914 ( -0.127 8.731 0.809) 8.769 15.980 ( 4.452 -15.700 -4.271) 16.869 16.962 ( -0.441 -6.666 -3.695) 7.634 17.425 ( -2.603 5.732 -1.249) 6.419 18.132 ( 0.355 -5.016 3.804) 6.305 18.316 ( 3.307 -4.168 -1.647) 5.570 ======================= Grid point 437 (207/226) ======================= q-point: ( 0.55 0.55 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.667 ( -4.137 0.257 -3.275) 5.283 3.097 ( -0.585 2.758 13.129) 13.428 3.533 ( 2.553 19.423 -9.966) 21.980 4.028 ( -4.826 -7.486 5.059) 10.243 4.397 ( 4.731 3.818 5.605) 8.269 4.470 ( 2.423 -3.480 -11.683) 12.429 5.904 ( -1.506 -32.348 -4.730) 32.726 6.292 ( 8.103 5.542 5.683) 11.343 6.442 ( 0.174 -15.689 3.603) 16.098 7.235 ( -13.287 -10.617 3.393) 17.343 7.477 ( 3.430 -4.450 0.147) 5.621 7.731 ( -4.982 -5.111 8.672) 11.231 8.182 ( 4.663 -3.249 1.060) 5.781 8.821 ( 3.738 -1.568 -4.065) 5.740 9.172 ( 6.616 10.590 -5.616) 13.691 9.348 ( -11.419 13.744 -3.903) 18.290 9.623 ( 5.048 8.874 -2.572) 10.528 10.188 ( -1.020 2.726 2.287) 3.701 12.163 ( 6.710 -1.508 3.760) 7.838 12.612 ( -13.312 4.341 -5.389) 15.003 13.131 ( 9.317 12.067 -2.372) 15.428 13.488 ( -1.998 22.552 0.091) 22.640 14.652 ( 2.182 1.958 1.959) 3.526 14.710 ( -0.619 -5.609 5.930) 8.186 15.754 ( -5.474 -21.584 -5.647) 22.973 16.042 ( 2.596 11.893 -0.232) 12.175 16.875 ( -0.633 -7.520 1.059) 7.621 17.453 ( -0.003 5.740 -0.577) 5.768 18.106 ( 0.093 -5.488 3.498) 6.509 18.303 ( 0.864 -3.853 -2.510) 4.679 ======================= Grid point 438 (208/226) ======================= q-point: ( 0.64 0.55 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.703 ( 8.995 1.442 -0.376) 9.118 3.149 ( 0.345 0.498 2.656) 2.724 3.702 ( -3.169 22.522 0.064) 22.744 3.919 ( -3.360 -9.057 5.466) 11.100 4.338 ( -5.535 -6.281 -7.952) 11.547 4.544 ( 6.850 6.543 -5.456) 10.931 5.564 ( -0.785 -26.956 -5.313) 27.486 6.097 ( -21.869 -18.282 3.428) 28.709 6.510 ( 6.139 7.771 0.837) 9.939 7.046 ( -1.535 -12.053 11.108) 16.463 7.478 ( -1.102 -2.599 7.875) 8.366 7.809 ( 9.255 0.645 6.411) 11.277 8.250 ( 8.807 -6.408 -1.232) 10.961 8.877 ( 5.365 0.585 -1.026) 5.494 9.124 ( -22.652 10.580 -9.695) 26.815 9.289 ( 3.339 4.059 -7.030) 8.778 9.767 ( 4.886 7.400 -4.359) 9.881 10.270 ( 3.734 4.428 3.920) 6.994 12.221 ( -0.619 -3.786 -2.083) 4.365 12.543 ( 2.693 6.394 0.784) 6.982 13.290 ( -0.089 8.136 -0.582) 8.158 13.699 ( 4.719 17.303 -3.238) 18.225 14.634 ( -2.130 -3.631 0.759) 4.278 14.804 ( 4.410 6.519 4.224) 8.932 15.361 ( -11.390 -24.296 -0.286) 26.835 16.208 ( 5.906 10.612 -5.869) 13.489 16.818 ( -2.216 -4.420 7.536) 9.014 17.523 ( 1.978 5.257 0.318) 5.626 18.079 ( 0.581 -4.749 2.465) 5.382 18.236 ( -2.173 -3.934 -3.534) 5.717 ======================= Grid point 439 (209/226) ======================= q-point: (-0.27 -0.45 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.954 ( 15.807 3.799 2.201) 16.406 3.163 ( 0.548 0.727 -2.856) 2.997 3.788 ( -4.930 -12.337 5.070) 14.220 3.857 ( -3.804 18.942 5.599) 20.115 4.101 ( -5.130 -9.492 -9.546) 14.406 4.673 ( 3.185 7.968 -9.210) 12.588 5.311 ( -2.450 -16.206 -2.123) 16.527 5.595 ( -17.436 -12.772 3.608) 21.913 6.614 ( -0.375 5.518 -3.369) 6.476 7.006 ( -0.091 -11.067 13.195) 17.222 7.525 ( 1.591 0.432 9.295) 9.440 8.056 ( 12.970 2.102 6.344) 14.591 8.324 ( 9.026 -8.066 -1.940) 12.259 8.693 ( -28.586 9.252 -14.958) 33.563 9.014 ( 7.695 -0.855 3.623) 8.548 9.292 ( 0.861 -1.847 -6.115) 6.445 9.882 ( 4.101 6.795 -3.338) 8.610 10.413 ( 4.734 5.921 2.348) 7.936 12.118 ( -3.507 -2.386 -4.421) 6.127 12.720 ( 8.674 1.892 4.085) 9.772 13.318 ( -3.666 7.346 -1.199) 8.297 13.905 ( 6.679 8.634 -2.724) 11.250 14.553 ( -3.330 -5.047 0.695) 6.086 14.796 ( -10.840 -4.076 -15.454) 19.312 15.125 ( 3.450 -9.012 19.872) 22.091 16.340 ( 6.533 5.649 -12.200) 14.948 16.821 ( -4.034 3.058 13.510) 14.428 17.615 ( 2.700 4.360 1.426) 5.323 18.064 ( -0.050 -2.579 0.289) 2.596 18.130 ( -2.140 -4.021 -3.362) 5.661 ======================= Grid point 446 (210/226) ======================= q-point: ( 0.36 0.64 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.651 ( 6.605 13.915 4.708) 16.107 3.072 ( -0.804 1.920 10.184) 10.395 3.788 ( -19.488 9.170 -8.554) 23.174 3.932 ( 9.846 -3.226 5.649) 11.801 4.233 ( 0.699 -8.541 0.751) 8.602 4.566 ( -4.555 -5.829 -5.906) 9.466 5.516 ( 17.725 -13.262 -0.139) 22.137 6.174 ( 4.603 -25.819 -4.722) 26.648 6.452 ( -6.366 6.815 7.025) 11.676 7.211 ( 5.679 -0.987 -7.925) 9.799 7.628 ( 6.636 0.406 -8.239) 10.587 7.949 ( 3.266 6.993 -8.136) 11.215 8.220 ( 13.029 2.779 2.137) 13.493 8.808 ( -5.369 1.794 7.429) 9.340 8.932 ( -14.986 -11.404 10.626) 21.622 9.207 ( 2.969 3.993 1.427) 5.176 9.698 ( -4.355 7.667 3.126) 9.356 10.348 ( -3.787 4.731 -4.540) 7.571 12.156 ( -1.553 -5.285 4.464) 7.090 12.605 ( -0.496 8.124 -5.536) 9.843 13.235 ( 0.227 6.419 5.272) 8.309 13.665 ( -16.258 10.422 0.705) 19.325 14.617 ( -1.800 -3.143 2.595) 4.456 14.753 ( -0.557 -2.592 7.323) 7.788 15.490 ( 20.234 -10.406 -11.324) 25.415 16.056 ( -5.274 6.253 9.174) 12.291 16.993 ( -1.709 -0.043 -10.813) 10.947 17.543 ( -3.365 4.855 -1.814) 6.179 18.112 ( 0.924 -2.504 -0.475) 2.711 18.189 ( 3.407 -5.509 1.064) 6.564 ======================= Grid point 447 (211/226) ======================= q-point: ( 0.45 0.64 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.874 ( -0.292 10.274 -2.475) 10.572 3.141 ( 0.231 1.004 6.313) 6.396 3.530 ( -12.216 13.280 -6.842) 19.298 4.039 ( 6.905 -7.754 -6.226) 12.106 4.203 ( 3.540 -7.100 9.176) 12.130 4.490 ( -3.262 4.839 4.397) 7.306 5.708 ( 19.089 -19.964 5.814) 28.227 5.946 ( 6.107 -27.269 -5.347) 28.451 6.442 ( -6.548 5.114 6.113) 10.315 7.238 ( 6.178 -2.970 -7.235) 9.966 7.569 ( -2.790 -2.687 -10.225) 10.934 8.031 ( 0.155 9.184 -5.332) 10.620 8.392 ( -17.282 -13.130 15.213) 26.505 8.542 ( 9.697 -4.646 -2.406) 11.019 8.996 ( 3.683 10.688 0.785) 11.332 9.317 ( 4.802 6.635 0.829) 8.232 9.710 ( -5.678 7.673 3.283) 10.094 10.312 ( -4.084 4.863 -2.288) 6.750 12.106 ( -1.944 -3.811 5.870) 7.264 12.749 ( 8.828 12.450 -6.222) 16.482 13.134 ( -14.456 0.194 -2.721) 14.712 13.657 ( -5.954 18.851 4.550) 20.286 14.595 ( 0.111 -2.236 4.942) 5.425 14.743 ( -1.047 -4.350 5.349) 6.974 15.553 ( 13.244 -15.064 -16.144) 25.748 16.134 ( -3.598 10.416 9.461) 14.524 16.880 ( -1.104 -5.500 -7.763) 9.578 17.523 ( -3.535 5.407 -1.458) 6.623 18.101 ( 0.486 -4.180 2.694) 4.997 18.214 ( 3.994 -3.781 0.629) 5.536 ======================= Grid point 448 (212/226) ======================= q-point: ( 0.55 0.64 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.745 ( -10.714 0.752 -9.564) 14.381 3.161 ( -0.930 -0.050 2.040) 2.243 3.645 ( 3.668 20.860 -1.806) 21.256 3.985 ( 2.709 -8.019 -6.552) 10.704 4.283 ( 3.726 -0.842 3.251) 5.016 4.553 ( -2.096 3.462 12.216) 12.869 5.579 ( 1.463 -29.714 -1.938) 29.813 6.060 ( 20.014 -11.286 8.062) 24.350 6.416 ( -3.556 1.770 2.939) 4.941 7.291 ( 8.889 -4.317 -4.614) 10.906 7.375 ( -11.095 -5.532 -7.203) 14.339 7.896 ( -14.996 -10.334 11.296) 21.431 8.174 ( -2.356 1.486 1.391) 3.114 8.676 ( 7.875 -2.534 -2.325) 8.593 9.151 ( 4.262 10.654 -5.982) 12.941 9.491 ( 6.112 8.288 -4.342) 11.177 9.693 ( -6.620 6.665 2.043) 9.614 10.279 ( -4.301 4.440 1.724) 6.417 12.114 ( 1.659 -1.019 5.454) 5.791 12.851 ( -14.768 1.601 -4.602) 15.551 13.006 ( 11.412 9.313 -7.025) 16.319 13.778 ( -4.885 18.841 2.900) 19.679 14.646 ( 2.915 1.131 3.293) 4.541 14.710 ( -1.174 -5.364 8.442) 10.070 15.464 ( 6.633 -18.347 -16.426) 25.504 16.204 ( -5.499 11.831 2.846) 13.353 16.800 ( 2.203 -6.753 0.642) 7.132 17.520 ( -2.057 5.240 -0.706) 5.673 18.079 ( -0.179 -5.290 4.242) 6.783 18.239 ( 2.096 -2.411 -0.386) 3.218 ======================= Grid point 449 (213/226) ======================= q-point: (-0.36 -0.36 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.594 ( 0.120 0.384 -7.265) 7.276 3.150 ( -0.301 0.687 -1.872) 2.017 3.804 ( 2.147 -6.025 -2.391) 6.828 4.005 ( 0.778 18.797 -0.778) 18.829 4.299 ( -1.495 -3.206 -2.574) 4.375 4.586 ( -3.059 1.095 7.379) 8.062 5.347 ( -0.597 -16.917 0.870) 16.950 6.204 ( -3.668 -11.790 6.338) 13.879 6.452 ( 7.064 2.987 2.674) 8.122 7.054 ( -9.405 -14.710 5.729) 18.375 7.389 ( 9.592 -5.459 -0.813) 11.067 7.765 ( 0.094 -3.151 8.561) 9.124 8.150 ( -1.876 -0.254 -1.690) 2.537 8.771 ( 6.724 0.461 -0.075) 6.740 9.245 ( 2.203 6.375 -8.812) 11.097 9.479 ( -13.936 7.895 -11.206) 19.548 9.709 ( 4.257 4.249 -1.562) 6.215 10.310 ( 0.080 4.840 5.811) 7.563 12.173 ( 1.946 -1.717 2.589) 3.666 12.656 ( -8.185 5.108 -1.476) 9.760 13.201 ( 9.988 2.622 -8.280) 13.236 13.882 ( -4.284 16.564 0.520) 17.117 14.636 ( -1.504 -4.367 1.801) 4.958 14.818 ( 5.261 5.225 8.013) 10.917 15.219 ( -2.258 -22.075 -11.544) 25.013 16.229 ( -2.080 9.654 -6.205) 11.663 16.842 ( 3.128 -1.526 10.638) 11.193 17.550 ( 0.359 4.380 0.116) 4.396 18.048 ( -0.315 -5.457 4.454) 7.052 18.222 ( -1.252 -1.475 -1.708) 2.581 ======================= Grid point 450 (214/226) ======================= q-point: (-0.27 -0.36 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.683 ( 14.020 -0.548 -3.984) 14.585 3.146 ( 0.058 1.780 -3.655) 4.066 3.689 ( 0.574 -14.216 -4.517) 14.928 4.104 ( -10.164 -5.311 -3.479) 11.984 4.205 ( -5.782 15.913 7.139) 18.375 4.638 ( 4.435 9.197 -6.237) 11.965 5.258 ( -2.069 -2.597 5.818) 6.699 5.854 ( -22.507 -12.545 6.644) 26.610 6.606 ( 4.695 3.700 -2.382) 6.435 6.942 ( 3.348 -16.414 14.919) 22.432 7.481 ( 6.918 -4.466 2.842) 8.711 7.901 ( 10.772 -0.625 7.178) 12.959 8.117 ( 3.331 -3.338 -4.024) 6.199 8.906 ( 6.777 1.869 2.662) 7.517 9.131 ( -23.974 4.577 -14.309) 28.293 9.249 ( -0.498 3.051 -9.278) 9.779 9.831 ( 6.146 4.478 -2.919) 8.145 10.421 ( 3.048 5.003 5.424) 7.984 12.131 ( -3.432 -2.957 -1.673) 4.829 12.682 ( 2.348 5.906 2.792) 6.942 13.295 ( 6.556 -0.016 -7.768) 10.165 13.948 ( -2.428 8.319 -1.313) 8.765 14.577 ( -2.542 -3.250 1.865) 4.528 14.827 ( -10.209 -8.237 -15.865) 20.586 15.050 ( 8.364 -6.208 14.208) 17.617 16.255 ( 1.855 6.725 -10.413) 12.533 16.977 ( 0.989 5.152 15.038) 15.927 17.612 ( 2.426 2.621 1.007) 3.711 18.021 ( 0.593 -5.454 3.210) 6.356 18.155 ( -4.213 0.378 -2.378) 4.852 ======================= Grid point 534 (215/226) ======================= q-point: ( 0.36 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.255 ( -0.000 0.000 24.887) 24.887 2.255 ( -0.000 0.000 24.887) 24.887 3.322 ( -0.000 0.000 20.313) 20.313 4.322 ( 0.000 -0.000 -2.381) 2.381 4.730 ( 0.000 0.000 -20.494) 20.494 4.730 ( 0.000 -0.000 -20.494) 20.494 5.749 ( 0.000 -0.000 -2.963) 2.963 7.079 ( -0.000 0.000 3.314) 3.314 7.079 ( -0.000 0.000 3.314) 3.314 7.861 ( -0.000 0.000 8.282) 8.282 7.861 ( -0.000 0.000 8.282) 8.282 8.133 ( 0.000 -0.000 -6.986) 6.986 8.413 ( -0.000 0.000 1.883) 1.883 8.413 ( -0.000 0.000 1.883) 1.883 8.719 ( 0.000 -0.000 -4.424) 4.424 8.719 ( 0.000 -0.000 -4.424) 4.424 9.194 ( 0.000 -0.000 -9.093) 9.093 10.007 ( -0.000 0.000 6.495) 6.495 12.276 ( -0.000 0.000 4.068) 4.068 12.276 ( -0.000 0.000 4.068) 4.068 12.596 ( 0.000 0.000 -5.987) 5.987 12.596 ( 0.000 -0.000 -5.987) 5.987 14.809 ( -0.000 0.000 1.203) 1.203 14.809 ( -0.000 0.000 1.203) 1.203 15.510 ( -0.000 0.000 0.940) 0.940 16.678 ( 0.000 -0.000 -0.258) 0.258 17.186 ( 0.000 0.000 -0.144) 0.144 17.186 ( 0.000 -0.000 -0.144) 0.144 18.222 ( -0.000 0.000 4.895) 4.895 18.509 ( 0.000 -0.000 -4.399) 4.399 ======================= Grid point 535 (216/226) ======================= q-point: ( 0.45 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.306 ( 1.152 -5.630 23.255) 23.955 2.606 ( 10.083 9.082 18.092) 22.616 3.403 ( -1.756 0.465 7.797) 8.005 4.253 ( -4.922 -4.079 0.192) 6.395 4.482 ( -2.938 -5.052 -11.975) 13.325 4.736 ( 1.187 7.357 -20.859) 22.150 5.806 ( 5.978 3.582 1.203) 7.073 6.929 ( -15.432 -6.693 5.238) 17.618 7.076 ( -3.794 -4.569 -0.012) 5.939 7.558 ( -17.799 -3.352 8.019) 19.808 7.889 ( -2.597 -16.652 -5.423) 17.704 8.002 ( -5.736 -6.199 -3.336) 9.080 8.406 ( 2.092 7.983 10.120) 13.059 8.569 ( 4.276 2.671 3.849) 6.343 8.781 ( 5.116 2.745 -6.279) 8.552 8.860 ( 11.020 8.741 -6.435) 15.468 9.210 ( 4.769 5.191 -4.646) 8.443 10.070 ( 3.285 0.551 3.781) 5.039 12.237 ( -2.570 3.134 4.840) 6.313 12.439 ( 1.503 2.151 -3.192) 4.132 12.524 ( 11.443 -4.954 1.249) 12.532 12.782 ( 11.665 12.651 -5.916) 18.196 14.762 ( -4.240 -2.249 0.521) 4.828 14.806 ( -0.618 -0.751 1.552) 1.832 15.590 ( 5.985 3.574 1.848) 7.211 16.533 ( -11.764 -7.664 -0.207) 14.041 17.144 ( -3.187 -1.637 -0.897) 3.694 17.244 ( 4.765 2.032 -0.700) 5.227 18.232 ( -1.618 -0.886 4.543) 4.903 18.463 ( -2.136 -0.468 -4.336) 4.856 ======================= Grid point 536 (217/226) ======================= q-point: ( 0.55 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.432 ( 4.070 -4.678 17.433) 18.503 2.937 ( 8.266 5.127 17.124) 19.694 3.388 ( 1.272 3.550 -10.335) 11.001 4.140 ( -4.528 -6.278 6.874) 10.352 4.360 ( -2.145 -2.151 -6.490) 7.166 4.690 ( -1.518 9.286 -18.680) 20.916 6.013 ( 9.073 6.114 4.279) 11.747 6.489 ( -26.899 -13.923 6.476) 30.973 6.863 ( -12.606 -8.341 -3.088) 15.428 7.360 ( -9.416 -0.370 3.963) 10.222 7.650 ( -0.405 -15.671 -5.743) 16.695 7.905 ( 0.658 -3.435 -1.768) 3.919 8.436 ( -8.726 -0.155 -1.510) 8.857 8.675 ( 2.110 3.300 3.956) 5.567 8.907 ( 10.874 0.546 3.590) 11.464 9.042 ( 4.167 10.292 -3.397) 11.611 9.393 ( 8.635 8.752 -0.381) 12.301 10.160 ( 5.041 0.815 -0.093) 5.107 12.256 ( -1.888 0.887 2.311) 3.113 12.441 ( 0.951 6.588 -2.986) 7.295 12.782 ( 18.950 -5.642 4.969) 20.387 13.122 ( 14.604 17.702 -4.583) 23.402 14.674 ( -3.266 -1.508 0.065) 3.598 14.796 ( -0.858 -0.998 1.682) 2.135 15.769 ( 8.114 4.170 4.214) 10.049 16.178 ( -18.455 -11.696 -1.302) 21.887 17.052 ( -3.509 -3.116 -3.014) 5.577 17.348 ( 5.424 2.645 -1.004) 6.118 18.208 ( -2.645 -1.380 2.885) 4.150 18.380 ( -4.231 -0.859 -3.378) 5.482 ======================= Grid point 537 (218/226) ======================= q-point: ( 0.64 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.533 ( 1.887 -2.018 10.693) 11.045 3.118 ( 0.028 -0.714 11.801) 11.823 3.531 ( 17.895 9.656 -10.439) 22.857 4.031 ( -7.011 -7.151 7.056) 12.251 4.306 ( -0.528 1.168 -1.566) 2.024 4.639 ( -2.420 7.598 -14.994) 16.983 5.828 ( -27.922 -13.075 3.225) 31.000 6.326 ( 9.321 1.416 3.209) 9.959 6.519 ( -14.851 -8.049 -5.040) 17.628 7.245 ( -7.526 0.349 0.921) 7.590 7.507 ( 1.625 -13.400 -3.014) 13.831 7.881 ( -2.907 2.728 -6.370) 7.514 8.220 ( -7.526 -4.671 -3.336) 9.465 8.747 ( 2.454 -1.734 3.695) 4.762 9.087 ( 9.543 -3.748 4.138) 11.057 9.237 ( 1.534 18.441 7.710) 20.047 9.589 ( 7.047 3.707 0.891) 8.012 10.243 ( 4.835 1.741 -3.535) 6.238 12.222 ( -0.526 -2.885 -1.875) 3.481 12.543 ( 0.148 11.346 1.326) 11.424 13.048 ( 14.980 -6.934 6.274) 17.659 13.516 ( 15.290 16.378 -2.283) 22.522 14.654 ( 0.673 1.194 0.420) 1.433 14.779 ( -0.358 -0.801 0.083) 0.881 15.683 ( -20.661 -16.560 1.826) 26.542 16.006 ( 7.031 7.718 3.450) 10.996 16.943 ( -2.281 -3.466 -6.147) 7.416 17.455 ( 5.159 2.437 -0.826) 5.765 18.153 ( -3.342 -1.364 -1.081) 3.768 18.279 ( -4.665 -1.357 -0.417) 4.877 ======================= Grid point 546 (219/226) ======================= q-point: ( 0.45 0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.499 ( -8.286 4.076 19.577) 21.645 2.648 ( 6.698 8.739 11.724) 16.083 3.442 ( 0.548 -4.186 4.311) 6.034 4.277 ( -1.856 -3.227 0.722) 3.792 4.380 ( -1.174 -6.995 -6.419) 9.566 4.622 ( 4.369 3.518 -18.850) 19.667 5.820 ( 0.156 8.206 1.924) 8.430 6.992 ( 1.980 -10.124 4.094) 11.098 7.058 ( -1.831 -10.435 -0.962) 10.638 7.590 ( 6.219 -18.930 7.354) 21.239 7.836 ( -11.011 -12.639 -5.332) 17.590 7.982 ( -2.868 -8.942 -0.983) 9.442 8.410 ( 5.935 -2.390 8.883) 10.947 8.689 ( -3.558 15.558 2.820) 16.207 8.739 ( 1.568 6.467 -5.122) 8.397 8.777 ( 2.029 11.089 -6.182) 12.857 9.216 ( 1.714 10.816 -4.772) 11.945 10.085 ( -0.837 1.702 2.985) 3.536 12.236 ( 4.163 -3.669 4.377) 7.068 12.486 ( -8.927 2.374 -7.158) 11.687 12.531 ( 0.246 13.753 5.121) 14.677 12.719 ( 4.680 14.294 -4.887) 15.814 14.764 ( 0.131 -5.075 0.441) 5.096 14.811 ( -0.251 -1.207 1.281) 1.778 15.602 ( 0.084 7.923 1.293) 8.028 16.535 ( -0.524 -13.644 -0.301) 13.657 17.138 ( 0.129 -4.619 -0.642) 4.666 17.238 ( -0.459 4.865 -0.335) 4.898 18.255 ( 0.008 -2.638 4.324) 5.065 18.440 ( 0.481 -1.666 -4.076) 4.429 ======================= Grid point 547 (220/226) ======================= q-point: ( 0.55 0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.535 ( -2.722 3.229 16.320) 16.858 2.933 ( 8.574 9.081 7.839) 14.745 3.364 ( -3.315 -3.389 -6.859) 8.339 4.177 ( -3.160 -7.023 6.053) 9.795 4.340 ( -0.802 -0.482 -0.410) 1.022 4.608 ( 3.847 2.657 -19.542) 20.093 5.984 ( 6.002 11.042 2.273) 12.772 6.777 ( -18.118 -15.215 4.795) 24.140 6.828 ( -4.991 -21.463 -3.964) 22.390 7.460 ( -2.971 -15.612 -3.707) 16.319 7.564 ( -7.913 -5.428 8.879) 13.073 7.850 ( -0.222 -6.210 2.924) 6.868 8.600 ( 15.082 -8.905 5.336) 18.309 8.694 ( -14.175 11.520 -6.496) 19.387 8.742 ( -0.401 7.232 -0.094) 7.244 9.011 ( 10.474 12.389 -4.244) 16.769 9.386 ( 5.996 13.203 -3.354) 14.883 10.123 ( 1.771 1.928 2.192) 3.414 12.302 ( -6.703 1.955 -4.223) 8.160 12.409 ( 13.603 -2.240 3.358) 14.189 12.689 ( -3.089 15.429 5.165) 16.561 13.019 ( 14.559 18.321 -5.828) 24.116 14.693 ( -2.336 -4.084 -0.122) 4.707 14.803 ( -0.255 -1.479 1.590) 2.186 15.738 ( 4.593 8.593 1.813) 9.911 16.284 ( -10.442 -17.349 0.099) 20.249 17.054 ( -2.998 -6.085 -0.635) 6.813 17.310 ( 2.940 5.015 -0.230) 5.817 18.234 ( -1.370 -3.543 2.703) 4.663 18.392 ( -1.550 -2.019 -3.564) 4.380 ======================= Grid point 548 (221/226) ======================= q-point: ( 0.64 0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.647 ( -1.262 6.247 13.550) 14.973 3.176 ( 1.756 -1.434 13.207) 13.400 3.292 ( 9.753 8.737 -16.528) 21.086 4.102 ( -4.182 -7.583 8.763) 12.320 4.311 ( -1.621 0.997 -1.911) 2.697 4.574 ( 3.295 1.940 -17.782) 18.188 6.157 ( -8.671 -1.136 2.097) 8.993 6.238 ( -14.583 -15.911 -1.661) 21.646 6.502 ( -5.022 -18.215 -3.553) 19.226 7.336 ( 1.709 -8.379 0.070) 8.552 7.444 ( -8.424 -2.436 10.120) 13.391 7.903 ( 4.310 2.428 3.134) 5.856 8.413 ( -20.488 6.743 -12.512) 24.935 8.698 ( 4.270 -8.519 3.438) 10.131 8.911 ( 10.711 2.968 4.382) 11.947 9.265 ( 10.575 7.940 -0.573) 13.236 9.570 ( 4.200 10.133 -2.517) 11.254 10.198 ( 2.665 3.765 0.455) 4.635 12.187 ( -3.045 -0.885 -6.015) 6.799 12.702 ( 13.533 2.705 7.600) 15.755 12.802 ( -0.353 10.569 3.791) 11.234 13.412 ( 15.021 17.616 -4.931) 23.670 14.642 ( -0.077 -0.952 -1.053) 1.421 14.786 ( -1.297 -0.932 -0.077) 1.599 15.795 ( -9.331 -15.955 6.805) 19.696 16.026 ( 0.609 5.869 -2.117) 6.269 16.932 ( -4.147 -6.000 -0.587) 7.317 17.413 ( 3.772 4.677 0.030) 6.009 18.178 ( -2.561 -2.961 -0.567) 3.955 18.311 ( -2.872 -3.231 -1.797) 4.682 ======================= Grid point 557 (222/226) ======================= q-point: ( 0.45 0.55 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.670 ( 5.713 7.967 4.909) 10.964 2.849 ( -14.137 8.524 11.668) 20.215 3.350 ( 4.386 -5.429 -2.950) 7.577 4.258 ( 2.959 -1.694 1.982) 3.944 4.353 ( -1.724 -3.738 2.936) 5.056 4.465 ( 1.237 -2.190 -13.858) 14.085 5.975 ( -5.715 9.940 3.168) 11.896 6.735 ( 17.816 -17.312 6.384) 25.649 6.850 ( 4.421 -22.326 -3.231) 22.988 7.392 ( 5.953 -6.930 3.190) 9.677 7.731 ( 1.954 -8.183 -9.069) 12.370 7.920 ( 1.667 -1.915 -4.541) 5.202 8.477 ( -7.058 -5.893 10.968) 14.313 8.734 ( 2.446 7.369 -0.461) 7.778 8.755 ( 2.204 2.427 -3.449) 4.758 8.979 ( -7.347 13.494 -1.064) 15.401 9.341 ( -5.236 11.527 1.206) 12.718 10.146 ( -2.448 2.990 -0.298) 3.876 12.201 ( -2.280 -5.601 5.605) 8.245 12.506 ( 8.347 12.908 -5.955) 16.485 12.784 ( -18.211 3.808 -4.828) 19.221 12.922 ( -5.980 21.794 4.390) 23.022 14.690 ( 2.437 -4.516 0.313) 5.141 14.808 ( 0.152 -1.167 0.951) 1.513 15.739 ( -4.895 9.188 1.693) 10.547 16.298 ( 10.279 -16.724 -1.528) 19.690 17.062 ( 2.412 -5.259 -1.513) 5.981 17.315 ( -3.059 5.017 -0.726) 5.921 18.235 ( 1.460 -3.575 2.862) 4.807 18.376 ( 2.082 -2.937 -1.969) 4.104 ======================= Grid point 558 (223/226) ======================= q-point: ( 0.55 0.55 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.644 ( -2.305 -0.204 -4.194) 4.790 3.022 ( 1.480 17.610 12.132) 21.436 3.305 ( 0.349 -5.975 -7.266) 9.413 4.193 ( -2.797 -6.466 3.621) 7.921 4.378 ( 3.229 0.430 -0.091) 3.258 4.449 ( -0.080 0.346 -3.555) 3.573 6.051 ( 0.283 11.459 0.749) 11.487 6.586 ( -0.010 -31.047 -4.191) 31.328 6.792 ( 2.155 -16.260 4.613) 17.038 7.399 ( -3.596 -8.299 0.288) 9.049 7.589 ( 1.758 -7.957 0.248) 8.152 7.861 ( -4.292 -4.072 3.175) 6.714 8.348 ( 3.036 -10.388 6.192) 12.469 8.772 ( 0.055 3.671 -5.975) 7.012 8.953 ( 9.314 10.676 -0.979) 14.202 9.037 ( -9.759 16.374 -2.453) 19.219 9.407 ( 1.352 12.083 -1.980) 12.319 10.147 ( -0.300 2.625 1.285) 2.938 12.227 ( 6.710 -2.742 4.195) 8.375 12.484 ( -14.003 5.274 -6.131) 16.170 12.847 ( 11.889 15.235 -1.312) 19.369 13.058 ( -4.404 22.411 1.500) 22.889 14.673 ( 0.181 -3.618 0.169) 3.627 14.798 ( -0.112 -1.908 1.479) 2.417 15.808 ( -0.138 11.567 0.156) 11.569 16.178 ( -0.351 -22.214 -1.351) 22.258 17.018 ( -0.072 -6.854 0.551) 6.876 17.340 ( 0.000 5.842 -0.061) 5.843 18.220 ( -0.097 -4.630 1.995) 5.043 18.360 ( 0.319 -3.115 -1.604) 3.518 ======================= Grid point 559 (224/226) ======================= q-point: (-0.36 -0.45 -0.64) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.679 ( 8.006 0.700 -0.256) 8.041 3.200 ( -1.060 -3.777 -6.503) 7.595 3.272 ( 0.773 20.273 5.304) 20.970 4.122 ( -1.616 -8.194 6.350) 10.491 4.371 ( -2.155 -2.755 -9.899) 10.499 4.435 ( -0.272 3.454 2.242) 4.126 6.063 ( -1.416 -18.440 -5.033) 19.167 6.355 ( 0.300 -3.214 -3.898) 5.061 6.495 ( -18.006 -18.375 4.031) 26.040 7.258 ( -0.603 -6.887 2.609) 7.389 7.592 ( -3.182 -3.336 9.531) 10.587 7.851 ( 4.595 -0.873 7.073) 8.480 8.417 ( 11.474 -10.112 0.335) 15.297 8.817 ( -0.764 3.436 -4.845) 5.989 8.859 ( -15.459 10.611 -6.452) 19.829 9.169 ( 7.421 6.805 -1.734) 10.216 9.568 ( 5.166 10.599 -4.004) 12.452 10.210 ( 2.164 4.063 2.888) 5.434 12.240 ( -6.305 -0.457 -6.354) 8.963 12.472 ( 11.407 2.217 5.584) 12.893 13.077 ( -3.755 15.142 4.206) 16.158 13.309 ( 11.719 19.845 -5.780) 23.760 14.639 ( -1.280 -0.696 -1.010) 1.773 14.791 ( -0.082 -1.148 0.693) 1.344 15.828 ( -8.324 -15.747 5.492) 18.639 15.998 ( 4.861 2.478 -5.442) 7.707 16.948 ( -2.653 -5.419 3.779) 7.120 17.418 ( 2.187 5.852 0.651) 6.281 18.173 ( -1.245 -4.112 0.299) 4.307 18.301 ( -1.878 -4.318 -1.614) 4.977 ======================= Grid point 668 (225/226) ======================= q-point: ( 0.45 0.45 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.594 ( -0.000 0.000 11.027) 11.027 2.594 ( -0.000 0.000 11.027) 11.027 3.534 ( -0.000 0.000 4.746) 4.746 4.305 ( 0.000 -0.000 -0.013) 0.013 4.445 ( 0.000 -0.000 -9.509) 9.509 4.445 ( 0.000 -0.000 -9.509) 9.509 5.746 ( -0.000 0.000 1.064) 1.064 7.121 ( -0.000 0.000 1.289) 1.289 7.121 ( -0.000 0.000 1.289) 1.289 7.958 ( -0.000 0.000 2.610) 2.610 7.958 ( -0.000 0.000 2.610) 2.610 8.033 ( 0.000 -0.000 -3.347) 3.347 8.464 ( -0.000 0.000 2.982) 2.982 8.464 ( -0.000 -0.000 2.982) 2.982 8.638 ( 0.000 -0.000 -3.729) 3.729 8.638 ( 0.000 -0.000 -3.729) 3.729 9.077 ( 0.000 -0.000 -3.466) 3.466 10.085 ( -0.000 0.000 2.193) 2.193 12.357 ( -0.000 0.000 4.497) 4.497 12.357 ( -0.000 0.000 4.497) 4.497 12.490 ( 0.000 0.000 -5.222) 5.222 12.490 ( 0.000 0.000 -5.222) 5.222 14.825 ( -0.000 0.000 0.460) 0.460 14.825 ( -0.000 0.000 0.460) 0.460 15.522 ( -0.000 0.000 0.342) 0.342 16.676 ( 0.000 -0.000 -0.045) 0.045 17.184 ( 0.000 0.000 -0.055) 0.055 17.184 ( 0.000 -0.000 -0.055) 0.055 18.306 ( -0.000 0.000 3.976) 3.976 18.431 ( 0.000 -0.000 -3.818) 3.818 ======================= Grid point 669 (226/226) ======================= q-point: ( 0.55 0.45 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.618 ( 0.137 -2.366 9.047) 9.353 2.764 ( 9.153 7.500 -1.642) 11.946 3.457 ( -7.475 -4.397 0.788) 8.708 4.287 ( -1.750 -1.644 1.056) 2.623 4.382 ( -0.271 -3.055 2.602) 4.022 4.437 ( 0.324 4.130 -9.788) 10.629 5.838 ( 7.639 4.425 0.801) 8.864 7.010 ( -12.542 -5.968 3.473) 14.317 7.056 ( -6.414 -5.092 -2.101) 8.454 7.655 ( -18.025 -7.096 1.777) 19.453 7.801 ( -9.291 -9.611 -2.934) 13.686 7.966 ( -5.259 -3.632 -0.176) 6.393 8.523 ( -2.453 0.845 -0.265) 2.608 8.649 ( 4.808 2.438 4.828) 7.236 8.689 ( 12.876 5.258 -0.304) 13.912 8.763 ( 10.358 7.409 -4.485) 13.502 9.170 ( 8.749 5.568 0.208) 10.372 10.108 ( 1.433 0.629 0.412) 1.618 12.316 ( -1.525 -5.398 -1.348) 5.769 12.368 ( -1.569 7.225 2.313) 7.747 12.587 ( 13.327 -1.911 2.552) 13.703 12.681 ( 12.503 13.243 -3.786) 18.602 14.767 ( -4.519 -2.594 0.048) 5.211 14.822 ( -0.464 -0.315 0.142) 0.578 15.611 ( 7.167 4.163 0.371) 8.296 16.532 ( -12.194 -7.144 0.062) 14.133 17.134 ( -4.112 -2.346 -0.190) 4.738 17.236 ( 4.150 2.273 -0.167) 4.735 18.296 ( -2.409 -1.405 1.314) 3.083 18.401 ( -1.288 -0.616 -1.331) 1.952 =================== 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 3/39930 10.0 1251.218 1251.218 1874.274 0.000 -0.000 -0.000 3/39930 20.0 911.417 911.417 1106.873 0.000 -0.000 -0.000 3/39930 30.0 476.523 476.523 500.776 0.000 -0.000 -0.000 3/39930 40.0 279.619 279.619 266.766 0.000 -0.000 -0.000 3/39930 50.0 181.534 181.534 161.391 0.000 -0.000 -0.000 3/39930 60.0 127.374 127.374 107.320 0.000 -0.000 -0.000 3/39930 70.0 95.025 95.025 76.949 0.000 -0.000 -0.000 3/39930 80.0 74.371 74.371 58.518 0.000 -0.000 -0.000 3/39930 90.0 60.404 60.404 46.555 0.000 -0.000 -0.000 3/39930 100.0 50.491 50.491 38.339 0.000 -0.000 -0.000 3/39930 110.0 43.169 43.169 32.427 0.000 -0.000 -0.000 3/39930 120.0 37.582 37.582 28.008 0.000 -0.000 -0.000 3/39930 130.0 33.205 33.205 24.602 0.000 -0.000 -0.000 3/39930 140.0 29.698 29.698 21.908 0.000 -0.000 -0.000 3/39930 150.0 26.835 26.835 19.732 0.000 -0.000 -0.000 3/39930 160.0 24.461 24.461 17.942 0.000 -0.000 -0.000 3/39930 170.0 22.465 22.465 16.447 0.000 -0.000 -0.000 3/39930 180.0 20.766 20.766 15.181 0.000 -0.000 -0.000 3/39930 190.0 19.304 19.304 14.097 0.000 -0.000 -0.000 3/39930 200.0 18.034 18.034 13.158 0.000 -0.000 -0.000 3/39930 210.0 16.923 16.923 12.339 0.000 -0.000 -0.000 3/39930 220.0 15.941 15.941 11.617 0.000 -0.000 -0.000 3/39930 230.0 15.069 15.069 10.977 0.000 -0.000 -0.000 3/39930 240.0 14.289 14.289 10.405 0.000 -0.000 -0.000 3/39930 250.0 13.587 13.587 9.892 0.000 -0.000 -0.000 3/39930 260.0 12.953 12.953 9.428 0.000 -0.000 -0.000 3/39930 270.0 12.377 12.377 9.008 0.000 -0.000 -0.000 3/39930 280.0 11.851 11.851 8.624 0.000 -0.000 -0.000 3/39930 290.0 11.370 11.370 8.273 0.000 -0.000 -0.000 3/39930 300.0 10.927 10.927 7.950 0.000 -0.000 -0.000 3/39930 310.0 10.518 10.518 7.652 0.000 -0.000 -0.000 3/39930 320.0 10.140 10.140 7.377 0.000 -0.000 -0.000 3/39930 330.0 9.789 9.789 7.121 0.000 -0.000 -0.000 3/39930 340.0 9.462 9.462 6.883 0.000 -0.000 -0.000 3/39930 350.0 9.157 9.157 6.661 0.000 -0.000 -0.000 3/39930 360.0 8.872 8.872 6.454 0.000 -0.000 -0.000 3/39930 370.0 8.604 8.604 6.259 0.000 -0.000 -0.000 3/39930 380.0 8.353 8.353 6.076 0.000 -0.000 -0.000 3/39930 390.0 8.116 8.116 5.904 0.000 -0.000 -0.000 3/39930 400.0 7.893 7.893 5.742 0.000 -0.000 -0.000 3/39930 410.0 7.682 7.682 5.588 0.000 -0.000 -0.000 3/39930 420.0 7.483 7.483 5.443 0.000 -0.000 -0.000 3/39930 430.0 7.293 7.293 5.306 0.000 -0.000 -0.000 3/39930 440.0 7.114 7.114 5.175 0.000 -0.000 -0.000 3/39930 450.0 6.943 6.943 5.051 0.000 -0.000 -0.000 3/39930 460.0 6.781 6.781 4.933 0.000 -0.000 -0.000 3/39930 470.0 6.626 6.626 4.820 0.000 -0.000 -0.000 3/39930 480.0 6.478 6.478 4.713 0.000 -0.000 -0.000 3/39930 490.0 6.337 6.337 4.610 0.000 -0.000 -0.000 3/39930 500.0 6.202 6.202 4.512 0.000 -0.000 -0.000 3/39930 510.0 6.073 6.073 4.418 0.000 -0.000 -0.000 3/39930 520.0 5.949 5.949 4.328 0.000 -0.000 -0.000 3/39930 530.0 5.830 5.830 4.242 0.000 -0.000 -0.000 3/39930 540.0 5.717 5.717 4.159 0.000 -0.000 -0.000 3/39930 550.0 5.607 5.607 4.079 0.000 -0.000 -0.000 3/39930 560.0 5.502 5.502 4.002 0.000 -0.000 -0.000 3/39930 570.0 5.400 5.400 3.929 0.000 -0.000 -0.000 3/39930 580.0 5.303 5.303 3.858 0.000 -0.000 -0.000 3/39930 590.0 5.209 5.209 3.789 0.000 -0.000 -0.000 3/39930 600.0 5.118 5.118 3.723 0.000 -0.000 -0.000 3/39930 610.0 5.031 5.031 3.660 0.000 -0.000 -0.000 3/39930 620.0 4.946 4.946 3.598 0.000 -0.000 -0.000 3/39930 630.0 4.864 4.864 3.539 0.000 -0.000 -0.000 3/39930 640.0 4.785 4.785 3.481 0.000 -0.000 -0.000 3/39930 650.0 4.709 4.709 3.426 0.000 -0.000 -0.000 3/39930 660.0 4.635 4.635 3.372 0.000 -0.000 -0.000 3/39930 670.0 4.563 4.563 3.320 0.000 -0.000 -0.000 3/39930 680.0 4.494 4.494 3.269 0.000 -0.000 -0.000 3/39930 690.0 4.427 4.427 3.220 0.000 -0.000 -0.000 3/39930 700.0 4.361 4.361 3.173 0.000 -0.000 -0.000 3/39930 710.0 4.298 4.298 3.127 0.000 -0.000 -0.000 3/39930 720.0 4.237 4.237 3.082 0.000 -0.000 -0.000 3/39930 730.0 4.177 4.177 3.039 0.000 -0.000 -0.000 3/39930 740.0 4.119 4.119 2.996 0.000 -0.000 -0.000 3/39930 750.0 4.062 4.062 2.955 0.000 -0.000 -0.000 3/39930 760.0 4.007 4.007 2.915 0.000 -0.000 -0.000 3/39930 770.0 3.954 3.954 2.877 0.000 -0.000 -0.000 3/39930 780.0 3.902 3.902 2.839 0.000 -0.000 -0.000 3/39930 790.0 3.851 3.851 2.802 0.000 -0.000 -0.000 3/39930 800.0 3.802 3.802 2.766 0.000 -0.000 -0.000 3/39930 810.0 3.754 3.754 2.731 0.000 -0.000 -0.000 3/39930 820.0 3.707 3.707 2.697 0.000 -0.000 -0.000 3/39930 830.0 3.662 3.662 2.664 0.000 -0.000 -0.000 3/39930 840.0 3.617 3.617 2.631 0.000 -0.000 -0.000 3/39930 850.0 3.574 3.574 2.600 0.000 -0.000 -0.000 3/39930 860.0 3.531 3.531 2.569 0.000 -0.000 -0.000 3/39930 870.0 3.490 3.490 2.539 0.000 -0.000 -0.000 3/39930 880.0 3.449 3.449 2.509 0.000 -0.000 -0.000 3/39930 890.0 3.410 3.410 2.481 0.000 -0.000 -0.000 3/39930 900.0 3.371 3.371 2.452 0.000 -0.000 -0.000 3/39930 910.0 3.333 3.333 2.425 0.000 -0.000 -0.000 3/39930 920.0 3.297 3.297 2.398 0.000 -0.000 -0.000 3/39930 930.0 3.261 3.261 2.372 0.000 -0.000 -0.000 3/39930 940.0 3.225 3.225 2.346 0.000 -0.000 -0.000 3/39930 950.0 3.191 3.191 2.321 0.000 -0.000 -0.000 3/39930 960.0 3.157 3.157 2.297 0.000 -0.000 -0.000 3/39930 970.0 3.124 3.124 2.273 0.000 -0.000 -0.000 3/39930 980.0 3.092 3.092 2.249 0.000 -0.000 -0.000 3/39930 990.0 3.060 3.060 2.226 0.000 -0.000 -0.000 3/39930 1000.0 3.029 3.029 2.203 0.000 -0.000 -0.000 3/39930 Thermal conductivity related properties were written into "kappa-m111111.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:06:43]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|