----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:50:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) Number of symmetry operations in supercell: 72 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.565899634554933 1.481422844723850 5.000435976666661 b -2.565899634554929 1.481422844723850 5.000435976666661 c 0.000000000000002 -2.962845689447705 5.000435976666661 Atomic positions (fractional): *1 O 0.43947136726451 0.03440655401382 0.81138166767255 15.999 2 O 0.03440655401381 0.81138166767255 0.43947136726451 15.999 3 O 0.81138166767255 0.43947136726451 0.03440655401381 15.999 4 O 0.56052863273549 0.96559344598619 0.18861833232746 15.999 5 O 0.18861833232746 0.56052863273549 0.96559344598619 15.999 6 O 0.96559344598619 0.18861833232746 0.56052863273549 15.999 *7 Ge 0.84069802990946 0.84069802990947 0.84069802990946 72.640 8 Ge 0.15930197009054 0.15930197009054 0.15930197009054 72.640 *9 Cd 0.63305847399877 0.63305847399877 0.63305847399877 112.411 10 Cd 0.36694152600123 0.36694152600123 0.36694152600123 112.411 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.131799269109862 0.000000000000000 0.000000000000000 b -2.565899634554931 4.444268534171555 0.000000000000000 c 0.000000000000000 0.000000000000000 15.001307929999999 Atomic positions (fractional): *1 O 0.67771817094755 0.95037152864441 0.76175319631696 15.999 > 1 2 O 0.27265335769686 0.32228182905245 0.76175319631696 15.999 > 2 3 O 0.04962847135559 0.72734664230314 0.76175319631696 15.999 > 3 4 O 0.65561516238578 0.71629513802225 0.90491347034971 15.999 > 4 5 O 0.28370486197775 0.93932002436353 0.90491347034971 15.999 > 5 6 O 0.06067997563648 0.34438483761422 0.90491347034971 15.999 > 6 7 O 0.34438483761422 0.28370486197775 0.09508652965029 15.999 > 1 8 O 0.93932002436353 0.65561516238578 0.09508652965029 15.999 > 2 9 O 0.71629513802225 0.06067997563648 0.09508652965029 15.999 > 3 10 O 0.32228182905245 0.04962847135559 0.23824680368304 15.999 > 4 11 O 0.95037152864441 0.27265335769686 0.23824680368304 15.999 > 5 12 O 0.72734664230314 0.67771817094755 0.23824680368304 15.999 > 6 13 O 0.01105150428089 0.61703819531108 0.42841986298362 15.999 > 1 14 O 0.60598669103019 0.98894849571911 0.42841986298362 15.999 > 2 15 O 0.38296180468892 0.39401330896981 0.42841986298362 15.999 > 3 16 O 0.98894849571911 0.38296180468892 0.57158013701638 15.999 > 4 17 O 0.61703819531108 0.60598669103019 0.57158013701638 15.999 > 5 18 O 0.39401330896981 0.01105150428089 0.57158013701638 15.999 > 6 *19 Ge 0.00000000000000 0.00000000000000 0.84069802990946 72.640 > 7 20 Ge 0.33333333333333 0.66666666666667 0.82596863675720 72.640 > 8 21 Ge 0.66666666666667 0.33333333333333 0.17403136324280 72.640 > 7 22 Ge 0.00000000000000 0.00000000000000 0.15930197009054 72.640 > 8 23 Ge 0.33333333333333 0.66666666666667 0.50736469657613 72.640 > 7 24 Ge 0.66666666666667 0.33333333333333 0.49263530342387 72.640 > 8 *25 Cd 0.66666666666667 0.33333333333333 0.96639180733210 112.411 > 9 26 Cd 0.66666666666667 0.33333333333333 0.70027485933456 112.411 > 10 27 Cd 0.33333333333333 0.66666666666667 0.29972514066544 112.411 > 9 28 Cd 0.33333333333333 0.66666666666667 0.03360819266790 112.411 > 10 29 Cd 0.00000000000000 0.00000000000000 0.63305847399877 112.411 > 9 30 Cd 0.00000000000000 0.00000000000000 0.36694152600123 112.411 > 10 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.263598538219725 0.000000000000000 0.000000000000000 b -5.131799269109862 8.888537068343110 0.000000000000000 c 0.000000000000000 0.000000000000000 15.001307929999999 Atomic positions (fractional): *1 O 0.33885908547378 0.47518576432221 0.76175319631696 15.999 > 1 2 O 0.83885908547378 0.47518576432221 0.76175319631696 15.999 > 1 3 O 0.33885908547378 0.97518576432221 0.76175319631696 15.999 > 1 4 O 0.83885908547378 0.97518576432221 0.76175319631696 15.999 > 1 5 O 0.13632667884843 0.16114091452622 0.76175319631696 15.999 > 2 6 O 0.63632667884843 0.16114091452622 0.76175319631696 15.999 > 2 7 O 0.13632667884843 0.66114091452622 0.76175319631696 15.999 > 2 8 O 0.63632667884843 0.66114091452622 0.76175319631696 15.999 > 2 9 O 0.02481423567779 0.36367332115157 0.76175319631696 15.999 > 3 10 O 0.52481423567779 0.36367332115157 0.76175319631696 15.999 > 3 11 O 0.02481423567779 0.86367332115157 0.76175319631696 15.999 > 3 12 O 0.52481423567779 0.86367332115157 0.76175319631696 15.999 > 3 13 O 0.32780758119289 0.35814756901113 0.90491347034971 15.999 > 4 14 O 0.82780758119289 0.35814756901113 0.90491347034971 15.999 > 4 15 O 0.32780758119289 0.85814756901113 0.90491347034971 15.999 > 4 16 O 0.82780758119289 0.85814756901113 0.90491347034971 15.999 > 4 17 O 0.14185243098887 0.46966001218176 0.90491347034971 15.999 > 5 18 O 0.64185243098887 0.46966001218176 0.90491347034971 15.999 > 5 19 O 0.14185243098887 0.96966001218176 0.90491347034971 15.999 > 5 20 O 0.64185243098887 0.96966001218176 0.90491347034971 15.999 > 5 21 O 0.03033998781824 0.17219241880711 0.90491347034971 15.999 > 6 22 O 0.53033998781824 0.17219241880711 0.90491347034971 15.999 > 6 23 O 0.03033998781824 0.67219241880711 0.90491347034971 15.999 > 6 24 O 0.53033998781824 0.67219241880711 0.90491347034971 15.999 > 6 25 O 0.17219241880711 0.14185243098887 0.09508652965029 15.999 > 1 26 O 0.67219241880711 0.14185243098887 0.09508652965029 15.999 > 1 27 O 0.17219241880711 0.64185243098887 0.09508652965029 15.999 > 1 28 O 0.67219241880711 0.64185243098887 0.09508652965029 15.999 > 1 29 O 0.46966001218176 0.32780758119289 0.09508652965029 15.999 > 2 30 O 0.96966001218176 0.32780758119289 0.09508652965029 15.999 > 2 31 O 0.46966001218176 0.82780758119289 0.09508652965029 15.999 > 2 32 O 0.96966001218176 0.82780758119289 0.09508652965029 15.999 > 2 33 O 0.35814756901113 0.03033998781824 0.09508652965029 15.999 > 3 34 O 0.85814756901113 0.03033998781824 0.09508652965029 15.999 > 3 35 O 0.35814756901113 0.53033998781824 0.09508652965029 15.999 > 3 36 O 0.85814756901113 0.53033998781824 0.09508652965029 15.999 > 3 37 O 0.16114091452622 0.02481423567779 0.23824680368304 15.999 > 4 38 O 0.66114091452622 0.02481423567779 0.23824680368304 15.999 > 4 39 O 0.16114091452622 0.52481423567779 0.23824680368304 15.999 > 4 40 O 0.66114091452622 0.52481423567779 0.23824680368304 15.999 > 4 41 O 0.47518576432221 0.13632667884843 0.23824680368304 15.999 > 5 42 O 0.97518576432221 0.13632667884843 0.23824680368304 15.999 > 5 43 O 0.47518576432221 0.63632667884843 0.23824680368304 15.999 > 5 44 O 0.97518576432221 0.63632667884843 0.23824680368304 15.999 > 5 45 O 0.36367332115157 0.33885908547378 0.23824680368304 15.999 > 6 46 O 0.86367332115157 0.33885908547378 0.23824680368304 15.999 > 6 47 O 0.36367332115157 0.83885908547378 0.23824680368304 15.999 > 6 48 O 0.86367332115157 0.83885908547378 0.23824680368304 15.999 > 6 49 O 0.00552575214044 0.30851909765554 0.42841986298362 15.999 > 1 50 O 0.50552575214044 0.30851909765554 0.42841986298362 15.999 > 1 51 O 0.00552575214044 0.80851909765554 0.42841986298362 15.999 > 1 52 O 0.50552575214044 0.80851909765554 0.42841986298362 15.999 > 1 53 O 0.30299334551510 0.49447424785956 0.42841986298362 15.999 > 2 54 O 0.80299334551510 0.49447424785956 0.42841986298362 15.999 > 2 55 O 0.30299334551510 0.99447424785956 0.42841986298362 15.999 > 2 56 O 0.80299334551510 0.99447424785956 0.42841986298362 15.999 > 2 57 O 0.19148090234446 0.19700665448490 0.42841986298362 15.999 > 3 58 O 0.69148090234446 0.19700665448490 0.42841986298362 15.999 > 3 59 O 0.19148090234446 0.69700665448490 0.42841986298362 15.999 > 3 60 O 0.69148090234446 0.69700665448490 0.42841986298362 15.999 > 3 61 O 0.49447424785956 0.19148090234446 0.57158013701638 15.999 > 4 62 O 0.99447424785956 0.19148090234446 0.57158013701638 15.999 > 4 63 O 0.49447424785956 0.69148090234446 0.57158013701638 15.999 > 4 64 O 0.99447424785956 0.69148090234446 0.57158013701638 15.999 > 4 65 O 0.30851909765554 0.30299334551510 0.57158013701638 15.999 > 5 66 O 0.80851909765554 0.30299334551510 0.57158013701638 15.999 > 5 67 O 0.30851909765554 0.80299334551510 0.57158013701638 15.999 > 5 68 O 0.80851909765554 0.80299334551510 0.57158013701638 15.999 > 5 69 O 0.19700665448490 0.00552575214044 0.57158013701638 15.999 > 6 70 O 0.69700665448490 0.00552575214044 0.57158013701638 15.999 > 6 71 O 0.19700665448490 0.50552575214044 0.57158013701638 15.999 > 6 72 O 0.69700665448490 0.50552575214044 0.57158013701638 15.999 > 6 *73 Ge 0.00000000000000 0.00000000000000 0.84069802990946 72.640 > 7 74 Ge 0.50000000000000 0.00000000000000 0.84069802990946 72.640 > 7 75 Ge 0.00000000000000 0.50000000000000 0.84069802990946 72.640 > 7 76 Ge 0.50000000000000 0.50000000000000 0.84069802990946 72.640 > 7 77 Ge 0.16666666666667 0.33333333333333 0.82596863675720 72.640 > 8 78 Ge 0.66666666666667 0.33333333333333 0.82596863675720 72.640 > 8 79 Ge 0.16666666666667 0.83333333333333 0.82596863675720 72.640 > 8 80 Ge 0.66666666666667 0.83333333333333 0.82596863675720 72.640 > 8 81 Ge 0.33333333333333 0.16666666666667 0.17403136324280 72.640 > 7 82 Ge 0.83333333333333 0.16666666666667 0.17403136324280 72.640 > 7 83 Ge 0.33333333333333 0.66666666666667 0.17403136324280 72.640 > 7 84 Ge 0.83333333333333 0.66666666666667 0.17403136324280 72.640 > 7 85 Ge 0.00000000000000 0.00000000000000 0.15930197009054 72.640 > 8 86 Ge 0.50000000000000 0.00000000000000 0.15930197009054 72.640 > 8 87 Ge 0.00000000000000 0.50000000000000 0.15930197009054 72.640 > 8 88 Ge 0.50000000000000 0.50000000000000 0.15930197009054 72.640 > 8 89 Ge 0.16666666666667 0.33333333333333 0.50736469657613 72.640 > 7 90 Ge 0.66666666666667 0.33333333333333 0.50736469657613 72.640 > 7 91 Ge 0.16666666666667 0.83333333333333 0.50736469657613 72.640 > 7 92 Ge 0.66666666666667 0.83333333333333 0.50736469657613 72.640 > 7 93 Ge 0.33333333333333 0.16666666666667 0.49263530342387 72.640 > 8 94 Ge 0.83333333333333 0.16666666666667 0.49263530342387 72.640 > 8 95 Ge 0.33333333333333 0.66666666666667 0.49263530342387 72.640 > 8 96 Ge 0.83333333333333 0.66666666666667 0.49263530342387 72.640 > 8 *97 Cd 0.33333333333333 0.16666666666667 0.96639180733210 112.411 > 9 98 Cd 0.83333333333333 0.16666666666667 0.96639180733210 112.411 > 9 99 Cd 0.33333333333333 0.66666666666667 0.96639180733210 112.411 > 9 100 Cd 0.83333333333333 0.66666666666667 0.96639180733210 112.411 > 9 101 Cd 0.33333333333333 0.16666666666667 0.70027485933456 112.411 > 10 102 Cd 0.83333333333333 0.16666666666667 0.70027485933456 112.411 > 10 103 Cd 0.33333333333333 0.66666666666667 0.70027485933456 112.411 > 10 104 Cd 0.83333333333333 0.66666666666667 0.70027485933456 112.411 > 10 105 Cd 0.16666666666667 0.33333333333333 0.29972514066544 112.411 > 9 106 Cd 0.66666666666667 0.33333333333333 0.29972514066544 112.411 > 9 107 Cd 0.16666666666667 0.83333333333333 0.29972514066544 112.411 > 9 108 Cd 0.66666666666667 0.83333333333333 0.29972514066544 112.411 > 9 109 Cd 0.16666666666667 0.33333333333333 0.03360819266790 112.411 > 10 110 Cd 0.66666666666667 0.33333333333333 0.03360819266790 112.411 > 10 111 Cd 0.16666666666667 0.83333333333333 0.03360819266790 112.411 > 10 112 Cd 0.66666666666667 0.83333333333333 0.03360819266790 112.411 > 10 113 Cd 0.00000000000000 0.00000000000000 0.63305847399877 112.411 > 9 114 Cd 0.50000000000000 0.00000000000000 0.63305847399877 112.411 > 9 115 Cd 0.00000000000000 0.50000000000000 0.63305847399877 112.411 > 9 116 Cd 0.50000000000000 0.50000000000000 0.63305847399877 112.411 > 9 117 Cd 0.00000000000000 0.00000000000000 0.36694152600123 112.411 > 10 118 Cd 0.50000000000000 0.00000000000000 0.36694152600123 112.411 > 10 119 Cd 0.00000000000000 0.50000000000000 0.36694152600123 112.411 > 10 120 Cd 0.50000000000000 0.50000000000000 0.36694152600123 112.411 > 10 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.7191301 0.0000001 0.0000000 -0.0000001 4.7191301 0.0000000 0.0000000 0.0000000 4.7482213 -------------------------- Born effective charges -------------------------- 1 O -2.3593628 -0.2751191 -0.0719232 -0.2503377 -2.0249924 0.4522244 -0.0253828 0.4810990 -2.0572213 2 O -1.8810556 -0.0258131 0.4275994 -0.0010317 -2.5032997 -0.1638249 0.4293354 -0.2185673 -2.0572213 3 O -2.3361145 0.2637601 -0.3556762 0.2885415 -2.0482408 -0.2883995 -0.4039525 -0.2625317 -2.0572213 4 O -2.3593628 -0.2751191 -0.0719232 -0.2503377 -2.0249924 0.4522244 -0.0253828 0.4810990 -2.0572213 5 O -2.3361145 0.2637601 -0.3556762 0.2885415 -2.0482408 -0.2883995 -0.4039525 -0.2625317 -2.0572213 6 O -1.8810556 -0.0258131 0.4275994 -0.0010317 -2.5032997 -0.1638249 0.4293354 -0.2185673 -2.0572213 7 Ge 4.1590397 0.0714373 0.0000000 -0.0714373 4.1590397 0.0000000 0.0000000 0.0000000 3.4801674 8 Ge 4.1590397 0.0714373 0.0000000 -0.0714373 4.1590397 0.0000000 0.0000000 0.0000000 3.4801674 9 Cd 2.4174931 -0.0342652 0.0000000 0.0342652 2.4174931 0.0000000 0.0000000 0.0000000 2.6914966 10 Cd 2.4174931 -0.0342652 0.0000000 0.0342652 2.4174931 0.0000000 0.0000000 0.0000000 2.6914966 ---------------------------------------------------------------------------- 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: 450 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): 0.010 Solver_block: 100 / 240 - Time: 1.018 Solver_block: 200 / 240 - Time: 1.057 Solver_block: 240 / 240 - Time: 0.479 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.578 --------------------------------- 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: 450 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 22:50:17]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:50:18]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.565899634554933 1.481422844723850 5.000435976666661 b -2.565899634554929 1.481422844723850 5.000435976666661 c 0.000000000000002 -2.962845689447705 5.000435976666661 Atomic positions (fractional): 1 O 0.43947136726451 0.03440655401382 0.81138166767255 15.999 2 O 0.03440655401381 0.81138166767255 0.43947136726451 15.999 3 O 0.81138166767255 0.43947136726451 0.03440655401381 15.999 4 O 0.56052863273549 0.96559344598619 0.18861833232746 15.999 5 O 0.18861833232746 0.56052863273549 0.96559344598619 15.999 6 O 0.96559344598619 0.18861833232746 0.56052863273549 15.999 7 Ge 0.84069802990946 0.84069802990947 0.84069802990946 72.640 8 Ge 0.15930197009054 0.15930197009054 0.15930197009054 72.640 9 Cd 0.63305847399877 0.63305847399877 0.63305847399877 112.411 10 Cd 0.36694152600123 0.36694152600123 0.36694152600123 112.411 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.263598538219725 0.000000000000000 0.000000000000000 b -5.131799269109862 8.888537068343110 0.000000000000000 c 0.000000000000000 0.000000000000000 15.001307929999999 Atomic positions (fractional): 1 O 0.33885908547378 0.47518576432221 0.76175319631696 15.999 > 1 2 O 0.83885908547378 0.47518576432221 0.76175319631696 15.999 > 1 3 O 0.33885908547378 0.97518576432221 0.76175319631696 15.999 > 1 4 O 0.83885908547378 0.97518576432221 0.76175319631696 15.999 > 1 5 O 0.13632667884843 0.16114091452622 0.76175319631696 15.999 > 5 6 O 0.63632667884843 0.16114091452622 0.76175319631696 15.999 > 5 7 O 0.13632667884843 0.66114091452622 0.76175319631696 15.999 > 5 8 O 0.63632667884843 0.66114091452622 0.76175319631696 15.999 > 5 9 O 0.02481423567779 0.36367332115157 0.76175319631696 15.999 > 9 10 O 0.52481423567779 0.36367332115157 0.76175319631696 15.999 > 9 11 O 0.02481423567779 0.86367332115157 0.76175319631696 15.999 > 9 12 O 0.52481423567779 0.86367332115157 0.76175319631696 15.999 > 9 13 O 0.32780758119289 0.35814756901113 0.90491347034971 15.999 > 13 14 O 0.82780758119289 0.35814756901113 0.90491347034971 15.999 > 13 15 O 0.32780758119289 0.85814756901113 0.90491347034971 15.999 > 13 16 O 0.82780758119289 0.85814756901113 0.90491347034971 15.999 > 13 17 O 0.14185243098887 0.46966001218176 0.90491347034971 15.999 > 17 18 O 0.64185243098887 0.46966001218176 0.90491347034971 15.999 > 17 19 O 0.14185243098887 0.96966001218176 0.90491347034971 15.999 > 17 20 O 0.64185243098887 0.96966001218176 0.90491347034971 15.999 > 17 21 O 0.03033998781824 0.17219241880711 0.90491347034971 15.999 > 21 22 O 0.53033998781824 0.17219241880711 0.90491347034971 15.999 > 21 23 O 0.03033998781824 0.67219241880711 0.90491347034971 15.999 > 21 24 O 0.53033998781824 0.67219241880711 0.90491347034971 15.999 > 21 25 O 0.17219241880711 0.14185243098887 0.09508652965029 15.999 > 1 26 O 0.67219241880711 0.14185243098887 0.09508652965029 15.999 > 1 27 O 0.17219241880711 0.64185243098887 0.09508652965029 15.999 > 1 28 O 0.67219241880711 0.64185243098887 0.09508652965029 15.999 > 1 29 O 0.46966001218176 0.32780758119289 0.09508652965029 15.999 > 5 30 O 0.96966001218176 0.32780758119289 0.09508652965029 15.999 > 5 31 O 0.46966001218176 0.82780758119289 0.09508652965029 15.999 > 5 32 O 0.96966001218176 0.82780758119289 0.09508652965029 15.999 > 5 33 O 0.35814756901113 0.03033998781824 0.09508652965029 15.999 > 9 34 O 0.85814756901113 0.03033998781824 0.09508652965029 15.999 > 9 35 O 0.35814756901113 0.53033998781824 0.09508652965029 15.999 > 9 36 O 0.85814756901113 0.53033998781824 0.09508652965029 15.999 > 9 37 O 0.16114091452622 0.02481423567779 0.23824680368304 15.999 > 13 38 O 0.66114091452622 0.02481423567779 0.23824680368304 15.999 > 13 39 O 0.16114091452622 0.52481423567779 0.23824680368304 15.999 > 13 40 O 0.66114091452622 0.52481423567779 0.23824680368304 15.999 > 13 41 O 0.47518576432221 0.13632667884843 0.23824680368304 15.999 > 17 42 O 0.97518576432221 0.13632667884843 0.23824680368304 15.999 > 17 43 O 0.47518576432221 0.63632667884843 0.23824680368304 15.999 > 17 44 O 0.97518576432221 0.63632667884843 0.23824680368304 15.999 > 17 45 O 0.36367332115157 0.33885908547378 0.23824680368304 15.999 > 21 46 O 0.86367332115157 0.33885908547378 0.23824680368304 15.999 > 21 47 O 0.36367332115157 0.83885908547378 0.23824680368304 15.999 > 21 48 O 0.86367332115157 0.83885908547378 0.23824680368304 15.999 > 21 49 O 0.00552575214044 0.30851909765554 0.42841986298362 15.999 > 1 50 O 0.50552575214044 0.30851909765554 0.42841986298362 15.999 > 1 51 O 0.00552575214044 0.80851909765554 0.42841986298362 15.999 > 1 52 O 0.50552575214044 0.80851909765554 0.42841986298362 15.999 > 1 53 O 0.30299334551510 0.49447424785956 0.42841986298362 15.999 > 5 54 O 0.80299334551510 0.49447424785956 0.42841986298362 15.999 > 5 55 O 0.30299334551510 0.99447424785956 0.42841986298362 15.999 > 5 56 O 0.80299334551510 0.99447424785956 0.42841986298362 15.999 > 5 57 O 0.19148090234446 0.19700665448490 0.42841986298362 15.999 > 9 58 O 0.69148090234446 0.19700665448490 0.42841986298362 15.999 > 9 59 O 0.19148090234446 0.69700665448490 0.42841986298362 15.999 > 9 60 O 0.69148090234446 0.69700665448490 0.42841986298362 15.999 > 9 61 O 0.49447424785956 0.19148090234446 0.57158013701638 15.999 > 13 62 O 0.99447424785956 0.19148090234446 0.57158013701638 15.999 > 13 63 O 0.49447424785956 0.69148090234446 0.57158013701638 15.999 > 13 64 O 0.99447424785956 0.69148090234446 0.57158013701638 15.999 > 13 65 O 0.30851909765554 0.30299334551510 0.57158013701638 15.999 > 17 66 O 0.80851909765554 0.30299334551510 0.57158013701638 15.999 > 17 67 O 0.30851909765554 0.80299334551510 0.57158013701638 15.999 > 17 68 O 0.80851909765554 0.80299334551510 0.57158013701638 15.999 > 17 69 O 0.19700665448490 0.00552575214044 0.57158013701638 15.999 > 21 70 O 0.69700665448490 0.00552575214044 0.57158013701638 15.999 > 21 71 O 0.19700665448490 0.50552575214044 0.57158013701638 15.999 > 21 72 O 0.69700665448490 0.50552575214044 0.57158013701638 15.999 > 21 73 Ge 0.00000000000000 0.00000000000000 0.84069802990946 72.640 > 73 74 Ge 0.50000000000000 0.00000000000000 0.84069802990946 72.640 > 73 75 Ge 0.00000000000000 0.50000000000000 0.84069802990946 72.640 > 73 76 Ge 0.50000000000000 0.50000000000000 0.84069802990946 72.640 > 73 77 Ge 0.16666666666667 0.33333333333333 0.82596863675720 72.640 > 77 78 Ge 0.66666666666667 0.33333333333333 0.82596863675720 72.640 > 77 79 Ge 0.16666666666667 0.83333333333333 0.82596863675720 72.640 > 77 80 Ge 0.66666666666667 0.83333333333333 0.82596863675720 72.640 > 77 81 Ge 0.33333333333333 0.16666666666667 0.17403136324280 72.640 > 73 82 Ge 0.83333333333333 0.16666666666667 0.17403136324280 72.640 > 73 83 Ge 0.33333333333333 0.66666666666667 0.17403136324280 72.640 > 73 84 Ge 0.83333333333333 0.66666666666667 0.17403136324280 72.640 > 73 85 Ge 0.00000000000000 0.00000000000000 0.15930197009054 72.640 > 77 86 Ge 0.50000000000000 0.00000000000000 0.15930197009054 72.640 > 77 87 Ge 0.00000000000000 0.50000000000000 0.15930197009054 72.640 > 77 88 Ge 0.50000000000000 0.50000000000000 0.15930197009054 72.640 > 77 89 Ge 0.16666666666667 0.33333333333333 0.50736469657613 72.640 > 73 90 Ge 0.66666666666667 0.33333333333333 0.50736469657613 72.640 > 73 91 Ge 0.16666666666667 0.83333333333333 0.50736469657613 72.640 > 73 92 Ge 0.66666666666667 0.83333333333333 0.50736469657613 72.640 > 73 93 Ge 0.33333333333333 0.16666666666667 0.49263530342387 72.640 > 77 94 Ge 0.83333333333333 0.16666666666667 0.49263530342387 72.640 > 77 95 Ge 0.33333333333333 0.66666666666667 0.49263530342387 72.640 > 77 96 Ge 0.83333333333333 0.66666666666667 0.49263530342387 72.640 > 77 97 Cd 0.33333333333333 0.16666666666667 0.96639180733210 112.411 > 97 98 Cd 0.83333333333333 0.16666666666667 0.96639180733210 112.411 > 97 99 Cd 0.33333333333333 0.66666666666667 0.96639180733210 112.411 > 97 100 Cd 0.83333333333333 0.66666666666667 0.96639180733210 112.411 > 97 101 Cd 0.33333333333333 0.16666666666667 0.70027485933456 112.411 > 101 102 Cd 0.83333333333333 0.16666666666667 0.70027485933456 112.411 > 101 103 Cd 0.33333333333333 0.66666666666667 0.70027485933456 112.411 > 101 104 Cd 0.83333333333333 0.66666666666667 0.70027485933456 112.411 > 101 105 Cd 0.16666666666667 0.33333333333333 0.29972514066544 112.411 > 97 106 Cd 0.66666666666667 0.33333333333333 0.29972514066544 112.411 > 97 107 Cd 0.16666666666667 0.83333333333333 0.29972514066544 112.411 > 97 108 Cd 0.66666666666667 0.83333333333333 0.29972514066544 112.411 > 97 109 Cd 0.16666666666667 0.33333333333333 0.03360819266790 112.411 > 101 110 Cd 0.66666666666667 0.33333333333333 0.03360819266790 112.411 > 101 111 Cd 0.16666666666667 0.83333333333333 0.03360819266790 112.411 > 101 112 Cd 0.66666666666667 0.83333333333333 0.03360819266790 112.411 > 101 113 Cd 0.00000000000000 0.00000000000000 0.63305847399877 112.411 > 97 114 Cd 0.50000000000000 0.00000000000000 0.63305847399877 112.411 > 97 115 Cd 0.00000000000000 0.50000000000000 0.63305847399877 112.411 > 97 116 Cd 0.50000000000000 0.50000000000000 0.63305847399877 112.411 > 97 117 Cd 0.00000000000000 0.00000000000000 0.36694152600123 112.411 > 101 118 Cd 0.50000000000000 0.00000000000000 0.36694152600123 112.411 > 101 119 Cd 0.00000000000000 0.50000000000000 0.36694152600123 112.411 > 101 120 Cd 0.50000000000000 0.50000000000000 0.36694152600123 112.411 > 101 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.7191301 0.0000001 0.0000000 -0.0000001 4.7191301 0.0000000 0.0000000 0.0000000 4.7482213 -------------------------- Born effective charges -------------------------- 1 O -2.3593628 -0.2751191 -0.0719232 -0.2503377 -2.0249924 0.4522244 -0.0253828 0.4810990 -2.0572213 2 O -1.8810556 -0.0258131 0.4275994 -0.0010317 -2.5032997 -0.1638249 0.4293354 -0.2185673 -2.0572213 3 O -2.3361145 0.2637601 -0.3556762 0.2885415 -2.0482408 -0.2883995 -0.4039525 -0.2625317 -2.0572213 4 O -2.3593628 -0.2751191 -0.0719232 -0.2503377 -2.0249924 0.4522244 -0.0253828 0.4810990 -2.0572213 5 O -2.3361145 0.2637601 -0.3556762 0.2885415 -2.0482408 -0.2883995 -0.4039525 -0.2625317 -2.0572213 6 O -1.8810556 -0.0258131 0.4275994 -0.0010317 -2.5032997 -0.1638249 0.4293354 -0.2185673 -2.0572213 7 Ge 4.1590397 0.0714373 0.0000000 -0.0714373 4.1590397 0.0000000 0.0000000 0.0000000 3.4801674 8 Ge 4.1590397 0.0714373 0.0000000 -0.0714373 4.1590397 0.0000000 0.0000000 0.0000000 3.4801674 9 Cd 2.4174931 -0.0342652 0.0000000 0.0342652 2.4174931 0.0000000 0.0000000 0.0000000 2.6914966 10 Cd 2.4174931 -0.0342652 0.0000000 0.0342652 2.4174931 0.0000000 0.0000000 0.0000000 2.6914966 ---------------------------------------------------------------------------- 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: 0.00000002 (zzz) 0.00000002 (zzz) 0.00000002 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000003 (yx) -0.00000003 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:50:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:50:29]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.565899634554933 1.481422844723850 5.000435976666661 b -2.565899634554929 1.481422844723850 5.000435976666661 c 0.000000000000002 -2.962845689447705 5.000435976666661 Atomic positions (fractional): 1 O 0.43947136726451 0.03440655401382 0.81138166767255 15.999 2 O 0.03440655401381 0.81138166767255 0.43947136726451 15.999 3 O 0.81138166767255 0.43947136726451 0.03440655401381 15.999 4 O 0.56052863273549 0.96559344598619 0.18861833232746 15.999 5 O 0.18861833232746 0.56052863273549 0.96559344598619 15.999 6 O 0.96559344598619 0.18861833232746 0.56052863273549 15.999 7 Ge 0.84069802990946 0.84069802990947 0.84069802990946 72.640 8 Ge 0.15930197009054 0.15930197009054 0.15930197009054 72.640 9 Cd 0.63305847399877 0.63305847399877 0.63305847399877 112.411 10 Cd 0.36694152600123 0.36694152600123 0.36694152600123 112.411 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.263598538219725 0.000000000000000 0.000000000000000 b -5.131799269109862 8.888537068343110 0.000000000000000 c 0.000000000000000 0.000000000000000 15.001307929999999 Atomic positions (fractional): 1 O 0.33885908547378 0.47518576432221 0.76175319631696 15.999 > 1 2 O 0.83885908547378 0.47518576432221 0.76175319631696 15.999 > 1 3 O 0.33885908547378 0.97518576432221 0.76175319631696 15.999 > 1 4 O 0.83885908547378 0.97518576432221 0.76175319631696 15.999 > 1 5 O 0.13632667884843 0.16114091452622 0.76175319631696 15.999 > 5 6 O 0.63632667884843 0.16114091452622 0.76175319631696 15.999 > 5 7 O 0.13632667884843 0.66114091452622 0.76175319631696 15.999 > 5 8 O 0.63632667884843 0.66114091452622 0.76175319631696 15.999 > 5 9 O 0.02481423567779 0.36367332115157 0.76175319631696 15.999 > 9 10 O 0.52481423567779 0.36367332115157 0.76175319631696 15.999 > 9 11 O 0.02481423567779 0.86367332115157 0.76175319631696 15.999 > 9 12 O 0.52481423567779 0.86367332115157 0.76175319631696 15.999 > 9 13 O 0.32780758119289 0.35814756901113 0.90491347034971 15.999 > 13 14 O 0.82780758119289 0.35814756901113 0.90491347034971 15.999 > 13 15 O 0.32780758119289 0.85814756901113 0.90491347034971 15.999 > 13 16 O 0.82780758119289 0.85814756901113 0.90491347034971 15.999 > 13 17 O 0.14185243098887 0.46966001218176 0.90491347034971 15.999 > 17 18 O 0.64185243098887 0.46966001218176 0.90491347034971 15.999 > 17 19 O 0.14185243098887 0.96966001218176 0.90491347034971 15.999 > 17 20 O 0.64185243098887 0.96966001218176 0.90491347034971 15.999 > 17 21 O 0.03033998781824 0.17219241880711 0.90491347034971 15.999 > 21 22 O 0.53033998781824 0.17219241880711 0.90491347034971 15.999 > 21 23 O 0.03033998781824 0.67219241880711 0.90491347034971 15.999 > 21 24 O 0.53033998781824 0.67219241880711 0.90491347034971 15.999 > 21 25 O 0.17219241880711 0.14185243098887 0.09508652965029 15.999 > 1 26 O 0.67219241880711 0.14185243098887 0.09508652965029 15.999 > 1 27 O 0.17219241880711 0.64185243098887 0.09508652965029 15.999 > 1 28 O 0.67219241880711 0.64185243098887 0.09508652965029 15.999 > 1 29 O 0.46966001218176 0.32780758119289 0.09508652965029 15.999 > 5 30 O 0.96966001218176 0.32780758119289 0.09508652965029 15.999 > 5 31 O 0.46966001218176 0.82780758119289 0.09508652965029 15.999 > 5 32 O 0.96966001218176 0.82780758119289 0.09508652965029 15.999 > 5 33 O 0.35814756901113 0.03033998781824 0.09508652965029 15.999 > 9 34 O 0.85814756901113 0.03033998781824 0.09508652965029 15.999 > 9 35 O 0.35814756901113 0.53033998781824 0.09508652965029 15.999 > 9 36 O 0.85814756901113 0.53033998781824 0.09508652965029 15.999 > 9 37 O 0.16114091452622 0.02481423567779 0.23824680368304 15.999 > 13 38 O 0.66114091452622 0.02481423567779 0.23824680368304 15.999 > 13 39 O 0.16114091452622 0.52481423567779 0.23824680368304 15.999 > 13 40 O 0.66114091452622 0.52481423567779 0.23824680368304 15.999 > 13 41 O 0.47518576432221 0.13632667884843 0.23824680368304 15.999 > 17 42 O 0.97518576432221 0.13632667884843 0.23824680368304 15.999 > 17 43 O 0.47518576432221 0.63632667884843 0.23824680368304 15.999 > 17 44 O 0.97518576432221 0.63632667884843 0.23824680368304 15.999 > 17 45 O 0.36367332115157 0.33885908547378 0.23824680368304 15.999 > 21 46 O 0.86367332115157 0.33885908547378 0.23824680368304 15.999 > 21 47 O 0.36367332115157 0.83885908547378 0.23824680368304 15.999 > 21 48 O 0.86367332115157 0.83885908547378 0.23824680368304 15.999 > 21 49 O 0.00552575214044 0.30851909765554 0.42841986298362 15.999 > 1 50 O 0.50552575214044 0.30851909765554 0.42841986298362 15.999 > 1 51 O 0.00552575214044 0.80851909765554 0.42841986298362 15.999 > 1 52 O 0.50552575214044 0.80851909765554 0.42841986298362 15.999 > 1 53 O 0.30299334551510 0.49447424785956 0.42841986298362 15.999 > 5 54 O 0.80299334551510 0.49447424785956 0.42841986298362 15.999 > 5 55 O 0.30299334551510 0.99447424785956 0.42841986298362 15.999 > 5 56 O 0.80299334551510 0.99447424785956 0.42841986298362 15.999 > 5 57 O 0.19148090234446 0.19700665448490 0.42841986298362 15.999 > 9 58 O 0.69148090234446 0.19700665448490 0.42841986298362 15.999 > 9 59 O 0.19148090234446 0.69700665448490 0.42841986298362 15.999 > 9 60 O 0.69148090234446 0.69700665448490 0.42841986298362 15.999 > 9 61 O 0.49447424785956 0.19148090234446 0.57158013701638 15.999 > 13 62 O 0.99447424785956 0.19148090234446 0.57158013701638 15.999 > 13 63 O 0.49447424785956 0.69148090234446 0.57158013701638 15.999 > 13 64 O 0.99447424785956 0.69148090234446 0.57158013701638 15.999 > 13 65 O 0.30851909765554 0.30299334551510 0.57158013701638 15.999 > 17 66 O 0.80851909765554 0.30299334551510 0.57158013701638 15.999 > 17 67 O 0.30851909765554 0.80299334551510 0.57158013701638 15.999 > 17 68 O 0.80851909765554 0.80299334551510 0.57158013701638 15.999 > 17 69 O 0.19700665448490 0.00552575214044 0.57158013701638 15.999 > 21 70 O 0.69700665448490 0.00552575214044 0.57158013701638 15.999 > 21 71 O 0.19700665448490 0.50552575214044 0.57158013701638 15.999 > 21 72 O 0.69700665448490 0.50552575214044 0.57158013701638 15.999 > 21 73 Ge 0.00000000000000 0.00000000000000 0.84069802990946 72.640 > 73 74 Ge 0.50000000000000 0.00000000000000 0.84069802990946 72.640 > 73 75 Ge 0.00000000000000 0.50000000000000 0.84069802990946 72.640 > 73 76 Ge 0.50000000000000 0.50000000000000 0.84069802990946 72.640 > 73 77 Ge 0.16666666666667 0.33333333333333 0.82596863675720 72.640 > 77 78 Ge 0.66666666666667 0.33333333333333 0.82596863675720 72.640 > 77 79 Ge 0.16666666666667 0.83333333333333 0.82596863675720 72.640 > 77 80 Ge 0.66666666666667 0.83333333333333 0.82596863675720 72.640 > 77 81 Ge 0.33333333333333 0.16666666666667 0.17403136324280 72.640 > 73 82 Ge 0.83333333333333 0.16666666666667 0.17403136324280 72.640 > 73 83 Ge 0.33333333333333 0.66666666666667 0.17403136324280 72.640 > 73 84 Ge 0.83333333333333 0.66666666666667 0.17403136324280 72.640 > 73 85 Ge 0.00000000000000 0.00000000000000 0.15930197009054 72.640 > 77 86 Ge 0.50000000000000 0.00000000000000 0.15930197009054 72.640 > 77 87 Ge 0.00000000000000 0.50000000000000 0.15930197009054 72.640 > 77 88 Ge 0.50000000000000 0.50000000000000 0.15930197009054 72.640 > 77 89 Ge 0.16666666666667 0.33333333333333 0.50736469657613 72.640 > 73 90 Ge 0.66666666666667 0.33333333333333 0.50736469657613 72.640 > 73 91 Ge 0.16666666666667 0.83333333333333 0.50736469657613 72.640 > 73 92 Ge 0.66666666666667 0.83333333333333 0.50736469657613 72.640 > 73 93 Ge 0.33333333333333 0.16666666666667 0.49263530342387 72.640 > 77 94 Ge 0.83333333333333 0.16666666666667 0.49263530342387 72.640 > 77 95 Ge 0.33333333333333 0.66666666666667 0.49263530342387 72.640 > 77 96 Ge 0.83333333333333 0.66666666666667 0.49263530342387 72.640 > 77 97 Cd 0.33333333333333 0.16666666666667 0.96639180733210 112.411 > 97 98 Cd 0.83333333333333 0.16666666666667 0.96639180733210 112.411 > 97 99 Cd 0.33333333333333 0.66666666666667 0.96639180733210 112.411 > 97 100 Cd 0.83333333333333 0.66666666666667 0.96639180733210 112.411 > 97 101 Cd 0.33333333333333 0.16666666666667 0.70027485933456 112.411 > 101 102 Cd 0.83333333333333 0.16666666666667 0.70027485933456 112.411 > 101 103 Cd 0.33333333333333 0.66666666666667 0.70027485933456 112.411 > 101 104 Cd 0.83333333333333 0.66666666666667 0.70027485933456 112.411 > 101 105 Cd 0.16666666666667 0.33333333333333 0.29972514066544 112.411 > 97 106 Cd 0.66666666666667 0.33333333333333 0.29972514066544 112.411 > 97 107 Cd 0.16666666666667 0.83333333333333 0.29972514066544 112.411 > 97 108 Cd 0.66666666666667 0.83333333333333 0.29972514066544 112.411 > 97 109 Cd 0.16666666666667 0.33333333333333 0.03360819266790 112.411 > 101 110 Cd 0.66666666666667 0.33333333333333 0.03360819266790 112.411 > 101 111 Cd 0.16666666666667 0.83333333333333 0.03360819266790 112.411 > 101 112 Cd 0.66666666666667 0.83333333333333 0.03360819266790 112.411 > 101 113 Cd 0.00000000000000 0.00000000000000 0.63305847399877 112.411 > 97 114 Cd 0.50000000000000 0.00000000000000 0.63305847399877 112.411 > 97 115 Cd 0.00000000000000 0.50000000000000 0.63305847399877 112.411 > 97 116 Cd 0.50000000000000 0.50000000000000 0.63305847399877 112.411 > 97 117 Cd 0.00000000000000 0.00000000000000 0.36694152600123 112.411 > 101 118 Cd 0.50000000000000 0.00000000000000 0.36694152600123 112.411 > 101 119 Cd 0.00000000000000 0.50000000000000 0.36694152600123 112.411 > 101 120 Cd 0.50000000000000 0.50000000000000 0.36694152600123 112.411 > 101 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.7191301 0.0000001 0.0000000 -0.0000001 4.7191301 0.0000000 0.0000000 0.0000000 4.7482213 -------------------------- Born effective charges -------------------------- 1 O -2.3593628 -0.2751191 -0.0719232 -0.2503377 -2.0249924 0.4522244 -0.0253828 0.4810990 -2.0572213 2 O -1.8810556 -0.0258131 0.4275994 -0.0010317 -2.5032997 -0.1638249 0.4293354 -0.2185673 -2.0572213 3 O -2.3361145 0.2637601 -0.3556762 0.2885415 -2.0482408 -0.2883995 -0.4039525 -0.2625317 -2.0572213 4 O -2.3593628 -0.2751191 -0.0719232 -0.2503377 -2.0249924 0.4522244 -0.0253828 0.4810990 -2.0572213 5 O -2.3361145 0.2637601 -0.3556762 0.2885415 -2.0482408 -0.2883995 -0.4039525 -0.2625317 -2.0572213 6 O -1.8810556 -0.0258131 0.4275994 -0.0010317 -2.5032997 -0.1638249 0.4293354 -0.2185673 -2.0572213 7 Ge 4.1590397 0.0714373 0.0000000 -0.0714373 4.1590397 0.0000000 0.0000000 0.0000000 3.4801674 8 Ge 4.1590397 0.0714373 0.0000000 -0.0714373 4.1590397 0.0000000 0.0000000 0.0000000 3.4801674 9 Cd 2.4174931 -0.0342652 0.0000000 0.0342652 2.4174931 0.0000000 0.0000000 0.0000000 2.6914966 10 Cd 2.4174931 -0.0342652 0.0000000 0.0342652 2.4174931 0.0000000 0.0000000 0.0000000 2.6914966 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (zzz) 0.00000002 (zzz) 0.00000002 (zzz) 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 ... [ 12 12 12 ] 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: 0.86, Number of G-points: 297, Lambda: 0.19 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/294) ======================= 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 3.267 ( 0.000 0.000 0.000) 0.000 4.167 ( 0.000 0.000 0.000) 0.000 4.167 ( 0.000 0.000 0.000) 0.000 4.764 ( 0.000 0.000 0.000) 0.000 4.918 ( 0.000 0.000 0.000) 0.000 4.918 ( 0.000 0.000 0.000) 0.000 5.950 ( 0.000 0.000 0.000) 0.000 8.046 ( 0.000 0.000 0.000) 0.000 8.046 ( 0.000 0.000 0.000) 0.000 9.341 ( 0.000 0.000 0.000) 0.000 9.341 ( 0.000 0.000 0.000) 0.000 9.730 ( 0.000 0.000 0.000) 0.000 9.730 ( 0.000 0.000 0.000) 0.000 10.913 ( 0.000 0.000 0.000) 0.000 11.555 ( 0.000 0.000 0.000) 0.000 12.399 ( 0.000 0.000 0.000) 0.000 12.399 ( 0.000 0.000 0.000) 0.000 13.161 ( 0.000 0.000 0.000) 0.000 13.161 ( 0.000 0.000 0.000) 0.000 15.019 ( 0.000 0.000 0.000) 0.000 15.699 ( 0.000 0.000 0.000) 0.000 15.699 ( 0.000 0.000 0.000) 0.000 16.932 ( 0.000 0.000 0.000) 0.000 18.484 ( 0.000 0.000 0.000) 0.000 19.911 ( 0.000 0.000 0.000) 0.000 19.911 ( 0.000 0.000 0.000) 0.000 20.148 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/294) ======================= q-point: ( 0.08 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.466 ( 15.163 9.753 23.221) 29.398 0.656 ( 35.174 8.346 -1.467) 36.180 1.277 ( 52.611 36.127 10.795) 64.727 3.204 ( -4.592 -2.659 -3.937) 6.607 4.040 ( -11.423 -3.015 -2.450) 12.066 4.145 ( -3.003 1.066 0.487) 3.224 4.822 ( -6.304 -6.810 22.722) 24.544 4.858 ( -0.846 -4.468 -1.084) 4.675 5.190 ( -1.292 2.335 12.277) 12.564 6.007 ( 4.839 2.550 -0.568) 5.499 8.040 ( 0.894 -0.551 -3.211) 3.379 8.082 ( 2.391 0.745 3.802) 4.552 9.370 ( 3.778 1.644 -3.461) 5.381 9.675 ( -6.500 0.047 0.871) 6.558 9.769 ( 4.884 0.313 -1.424) 5.097 10.209 ( 7.989 5.044 -7.432) 12.021 10.868 ( -3.837 -2.244 0.460) 4.469 11.381 ( -14.943 -8.144 2.969) 17.275 12.418 ( -0.429 4.149 1.251) 4.355 12.624 ( 18.925 6.547 1.742) 20.102 13.186 ( 4.071 1.040 -4.022) 5.816 14.819 ( 7.245 5.782 -45.640) 46.572 15.571 ( -9.106 -6.081 4.543) 11.855 15.733 ( 2.248 2.478 1.691) 3.748 16.948 ( 1.045 0.536 0.373) 1.233 18.375 ( 1.527 -0.597 -20.754) 20.819 19.023 ( -5.691 -7.817 24.178) 26.039 19.917 ( 0.820 0.083 -0.440) 0.934 19.933 ( -1.593 4.180 4.599) 6.415 20.145 ( -0.200 -0.109 -0.083) 0.243 ======================= Grid point 2 (3/294) ======================= q-point: ( 0.17 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( 15.453 10.745 20.717) 27.990 1.265 ( 31.988 6.124 -1.991) 32.629 2.472 ( 45.812 32.309 11.140) 57.155 3.040 ( -7.150 -4.636 -5.701) 10.253 3.779 ( -13.472 -2.508 -3.659) 14.183 4.110 ( -2.867 0.510 1.834) 3.442 4.649 ( -10.532 -4.502 -1.567) 11.561 4.865 ( -1.868 -5.675 14.355) 15.548 5.296 ( 5.886 3.837 3.148) 7.699 6.108 ( 4.639 1.610 -1.490) 5.131 8.041 ( 2.991 -0.632 -4.793) 5.685 8.165 ( 3.029 1.238 5.909) 6.754 9.427 ( 3.921 -5.873 -2.963) 7.658 9.566 ( -8.595 8.479 -0.070) 12.074 9.871 ( 8.397 0.796 -3.357) 9.078 10.328 ( 1.480 2.161 -0.236) 2.630 10.804 ( -0.202 -0.552 2.195) 2.273 11.052 ( -15.752 -8.924 1.150) 18.140 12.474 ( -0.713 7.498 2.350) 7.890 13.018 ( 17.466 1.081 4.394) 18.043 13.310 ( 14.885 7.650 -9.470) 19.229 14.704 ( -4.138 0.710 -14.610) 15.201 15.336 ( -13.245 -8.958 4.338) 16.568 15.832 ( 4.119 4.550 2.843) 6.764 16.959 ( -0.662 -0.753 1.099) 1.487 18.224 ( -3.710 -5.573 -16.287) 17.609 19.001 ( 0.322 -5.225 6.545) 8.381 19.932 ( 1.240 0.205 -0.625) 1.404 19.977 ( -2.737 5.677 6.351) 8.948 20.137 ( -0.488 -0.281 -0.283) 0.630 ======================= Grid point 3 (4/294) ======================= q-point: ( 0.25 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( 15.225 11.838 17.345) 25.938 1.757 ( 24.932 1.364 -3.417) 25.202 2.838 ( -6.360 -4.494 -3.777) 8.655 3.317 ( 4.330 11.622 6.338) 13.928 3.682 ( 16.208 10.275 0.705) 19.204 4.083 ( -1.161 -2.014 2.957) 3.762 4.428 ( -10.973 1.406 -5.419) 12.318 4.843 ( -2.740 -1.981 7.872) 8.568 5.515 ( 14.651 4.416 5.356) 16.212 6.142 ( 0.420 -1.535 -2.772) 3.197 8.077 ( 5.268 -0.472 -4.723) 7.091 8.267 ( 3.499 2.354 5.985) 7.321 9.264 ( -10.601 -9.556 1.845) 14.390 9.622 ( 1.415 10.157 -3.657) 10.888 10.004 ( 8.897 0.445 -5.676) 10.563 10.237 ( -8.940 -2.975 -0.458) 9.434 10.731 ( -13.076 -7.921 -0.489) 15.296 10.934 ( 8.310 4.615 5.887) 11.180 12.557 ( -0.848 9.253 3.244) 9.842 13.183 ( 7.819 -4.278 -1.745) 9.082 13.741 ( 26.967 10.892 -6.146) 29.726 14.558 ( -7.504 0.569 -2.093) 7.812 15.053 ( -13.435 -9.286 5.339) 17.182 15.977 ( 5.291 5.914 3.550) 8.693 16.910 ( -4.431 -3.368 2.216) 5.991 17.981 ( -6.544 -8.268 -16.231) 19.355 19.009 ( 2.479 -2.799 1.144) 3.911 19.952 ( 1.163 0.485 -0.478) 1.348 20.014 ( -3.141 5.079 5.918) 8.408 20.121 ( -0.721 -0.602 -0.642) 1.138 ======================= Grid point 4 (5/294) ======================= q-point: ( 0.33 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( 13.589 12.333 13.535) 22.802 2.029 ( 13.388 -4.323 -5.307) 15.037 2.729 ( -0.028 -4.766 -0.521) 4.794 3.194 ( -13.455 1.192 -0.490) 13.517 4.013 ( -4.425 6.648 3.768) 8.831 4.086 ( 3.006 -6.024 -0.569) 6.757 4.384 ( 5.790 7.440 -0.877) 9.468 4.890 ( 3.584 6.154 5.743) 9.149 5.940 ( 22.473 8.078 5.515) 24.509 6.065 ( -0.728 -2.611 -4.020) 4.849 8.129 ( 3.776 -1.758 -3.732) 5.592 8.389 ( 4.010 3.575 5.074) 7.390 8.988 ( -13.005 -8.037 1.695) 15.381 9.704 ( 0.674 6.871 -2.642) 7.392 9.929 ( -10.145 -6.637 -1.937) 12.277 10.183 ( 3.370 -0.707 -5.538) 6.521 10.500 ( -6.552 -3.136 0.593) 7.288 11.158 ( 8.504 4.875 4.653) 10.850 12.650 ( -0.823 8.790 3.713) 9.577 13.232 ( 5.816 -4.326 -4.935) 8.770 14.108 ( 8.731 -1.012 -3.581) 9.491 14.572 ( 7.099 10.462 0.647) 12.659 14.822 ( -7.206 -6.802 8.123) 12.813 16.145 ( 5.571 6.454 2.876) 8.998 16.777 ( -8.280 -6.050 4.097) 11.043 17.695 ( -7.587 -8.378 -15.552) 19.225 19.034 ( 2.538 -1.290 -0.617) 2.913 19.973 ( 0.720 1.032 -0.177) 1.271 20.034 ( -2.750 3.198 4.483) 6.155 20.098 ( -0.620 -0.770 -0.966) 1.383 ======================= Grid point 5 (6/294) ======================= q-point: ( 0.42 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.074 ( 4.795 -3.806 -2.770) 6.719 2.232 ( 10.687 11.679 8.030) 17.751 2.695 ( 1.908 -8.765 -0.046) 8.970 2.990 ( -11.225 0.786 -1.199) 11.316 3.978 ( -4.713 2.532 2.822) 6.049 4.024 ( -2.618 0.016 -3.811) 4.623 4.505 ( 3.942 -0.474 -0.061) 3.971 5.122 ( 9.120 8.466 7.876) 14.727 5.842 ( -8.741 -6.673 -5.330) 12.220 6.585 ( 28.827 13.538 3.597) 32.050 8.045 ( -8.417 -7.366 -2.126) 11.385 8.510 ( 2.613 4.645 3.996) 6.661 8.783 ( -3.848 -4.254 -0.505) 5.758 9.668 ( -9.950 -0.786 -0.791) 10.012 9.785 ( 1.754 0.448 -0.885) 2.015 10.095 ( -4.719 -5.217 -3.559) 7.883 10.498 ( 3.129 2.143 -0.607) 3.841 11.324 ( 4.671 2.857 2.437) 5.993 12.727 ( -0.545 5.663 2.898) 6.385 13.243 ( 3.163 -3.112 -4.200) 6.110 14.084 ( -1.903 -3.177 -0.530) 3.742 14.588 ( -6.032 -1.930 2.528) 6.819 15.049 ( 17.564 8.748 3.740) 19.975 16.276 ( 1.962 4.096 -1.681) 4.843 16.612 ( -6.860 -5.367 7.711) 11.633 17.431 ( -6.202 -6.003 -11.576) 14.440 19.055 ( 1.501 -0.487 -0.699) 1.726 19.992 ( 0.141 1.592 0.004) 1.598 20.035 ( -1.332 0.160 2.225) 2.598 20.080 ( -0.464 -0.015 -0.553) 0.722 ======================= Grid point 6 (7/294) ======================= q-point: (-0.50 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.081 ( 0.000 0.000 0.000) 0.000 2.461 ( 0.000 -0.000 -0.000) 0.000 2.621 ( 0.000 0.000 0.000) 0.000 2.884 ( 0.000 0.000 0.000) 0.000 3.963 ( 0.000 0.000 0.000) 0.000 3.987 ( 0.000 0.000 0.000) 0.000 4.531 ( 0.000 0.000 0.000) 0.000 5.315 ( 0.000 0.000 0.000) 0.000 5.668 ( 0.000 0.000 0.000) 0.000 6.979 ( 0.000 0.000 0.000) 0.000 7.847 ( 0.000 0.000 0.000) 0.000 8.574 ( 0.000 0.000 0.000) 0.000 8.744 ( 0.000 -0.000 0.000) 0.000 9.564 ( 0.000 0.000 0.000) 0.000 9.818 ( 0.000 -0.000 0.000) 0.000 10.000 ( 0.000 -0.000 0.000) 0.000 10.540 ( 0.000 0.000 0.000) 0.000 11.383 ( 0.000 0.000 0.000) 0.000 12.759 ( 0.000 -0.000 0.000) 0.000 13.240 ( 0.000 0.000 0.000) 0.000 14.048 ( 0.000 0.000 0.000) 0.000 14.532 ( 0.000 0.000 0.000) 0.000 15.279 ( 0.000 0.000 0.000) 0.000 16.269 ( 0.000 0.000 0.000) 0.000 16.575 ( 0.000 0.000 0.000) 0.000 17.307 ( 0.000 0.000 0.000) 0.000 19.064 ( 0.000 0.000 0.000) 0.000 20.003 ( 0.000 -0.000 0.000) 0.000 20.027 ( 0.000 0.000 0.000) 0.000 20.075 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 14 (8/294) ======================= q-point: ( 0.08 0.08 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.683 ( -4.643 15.706 33.792) 37.551 0.736 ( -13.658 34.097 7.719) 37.533 1.284 ( 10.217 58.544 13.721) 60.992 3.179 ( -0.168 -5.999 -4.696) 7.621 4.011 ( 3.491 -8.229 -10.410) 13.721 4.126 ( 4.344 -5.229 2.358) 7.195 4.928 ( -5.387 -5.566 8.047) 11.170 4.958 ( -3.343 3.442 9.152) 10.334 5.248 ( 4.451 -26.345 31.390) 41.221 6.009 ( -0.420 6.116 -0.366) 6.141 8.016 ( -3.294 -0.415 -3.495) 4.820 8.090 ( 0.762 3.092 2.394) 3.984 9.431 ( 0.192 6.055 3.584) 7.039 9.651 ( -2.217 -6.664 -2.027) 7.310 9.798 ( 4.146 6.442 1.967) 7.909 10.047 ( -0.367 13.161 -21.451) 25.170 10.868 ( -0.040 -4.931 0.427) 4.949 11.409 ( 0.825 -18.571 4.389) 19.101 12.404 ( 4.736 0.557 -0.068) 4.769 12.597 ( -4.412 17.801 -1.302) 18.386 13.258 ( -2.798 8.224 4.243) 9.668 14.535 ( 2.546 35.899 -58.356) 68.561 15.589 ( -1.686 -11.941 4.445) 12.852 15.743 ( 2.127 2.947 3.050) 4.745 16.950 ( -0.097 1.345 0.491) 1.435 18.309 ( -1.792 6.062 -15.899) 17.110 19.078 ( -5.959 -23.072 18.126) 29.940 19.905 ( 0.865 0.123 -1.152) 1.446 19.987 ( 5.240 2.294 7.152) 9.158 20.145 ( 0.042 -0.138 -0.066) 0.159 ======================= Grid point 15 (9/294) ======================= q-point: ( 0.17 0.08 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.970 ( 8.474 16.750 19.277) 26.907 1.086 ( 6.636 28.391 8.454) 30.356 2.268 ( 32.479 45.096 16.150) 57.873 3.041 ( -4.388 -7.311 -7.337) 11.249 3.890 ( -3.603 -7.750 -7.743) 11.533 4.136 ( -0.533 -3.727 4.640) 5.975 4.733 ( -8.604 -3.651 -3.013) 9.820 4.978 ( -6.103 -7.713 24.727) 26.611 5.255 ( 4.444 -3.216 2.897) 6.204 6.074 ( 1.463 5.215 -1.314) 5.573 7.962 ( 0.781 -0.305 -4.971) 5.041 8.175 ( 2.513 3.668 3.513) 5.667 9.392 ( -5.073 0.915 -1.693) 5.426 9.693 ( 9.395 -4.010 0.748) 10.243 9.800 ( -8.821 10.382 -1.269) 13.682 10.232 ( 12.667 5.241 -6.195) 15.044 10.798 ( -1.288 -5.463 0.336) 5.622 11.170 ( -9.864 -15.612 2.167) 18.594 12.492 ( 4.019 -0.403 6.058) 7.281 12.876 ( 16.419 18.927 -6.122) 25.794 13.259 ( -7.467 12.221 -1.354) 14.386 14.649 ( 4.829 12.687 -22.048) 25.892 15.404 ( -7.398 -14.603 3.338) 16.707 15.856 ( 3.454 5.426 5.920) 8.742 16.964 ( -0.077 -0.098 1.116) 1.123 18.187 ( -6.252 0.344 -16.210) 17.378 18.898 ( 0.750 -15.304 4.345) 15.927 19.914 ( 0.834 -0.095 -0.085) 0.844 20.099 ( 0.436 1.987 5.383) 5.755 20.150 ( -0.328 1.421 2.224) 2.659 ======================= Grid point 16 (10/294) ======================= q-point: ( 0.25 0.08 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( 14.114 11.225 17.641) 25.227 1.515 ( 11.205 23.448 2.375) 26.096 2.843 ( -5.318 -7.440 -7.340) 11.727 3.235 ( 30.391 27.424 13.854) 43.216 3.680 ( -8.886 -4.764 -5.355) 11.416 4.120 ( -1.467 -0.842 6.290) 6.514 4.567 ( -7.172 1.064 -7.150) 10.183 4.927 ( -4.959 -6.461 16.622) 18.510 5.377 ( 9.907 3.207 1.506) 10.521 6.110 ( 0.102 0.873 -2.875) 3.006 7.977 ( 3.644 0.933 -4.429) 5.810 8.269 ( 2.720 3.114 4.104) 5.826 9.287 ( -4.271 -7.883 -0.196) 8.968 9.765 ( -6.165 11.706 -3.428) 13.667 9.830 ( 9.403 0.502 -1.596) 9.551 10.315 ( -3.256 -2.475 -0.956) 4.200 10.770 ( -0.649 -6.958 -2.450) 7.405 10.928 ( -2.464 -3.452 4.971) 6.534 12.590 ( 4.386 -1.305 6.480) 7.933 13.234 ( -7.481 18.862 -2.262) 20.417 13.366 ( 25.449 11.085 -8.495) 29.029 14.662 ( -3.614 3.825 -2.017) 5.636 15.143 ( -9.150 -15.134 4.135) 18.162 16.013 ( 3.335 8.133 6.916) 11.184 16.941 ( -2.225 -3.337 2.253) 4.600 17.953 ( -8.439 -2.917 -17.881) 19.987 18.851 ( 6.552 -10.596 -1.785) 12.585 19.931 ( 1.200 -0.134 0.338) 1.254 20.110 ( -0.342 -0.681 -0.128) 0.773 20.180 ( -3.312 4.365 6.217) 8.287 ======================= Grid point 17 (11/294) ======================= q-point: ( 0.33 0.08 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.787 ( 12.138 7.028 5.828) 15.188 1.891 ( 8.724 18.127 8.385) 21.795 2.678 ( -2.089 -6.489 -4.580) 8.213 3.423 ( -13.246 -0.262 -1.544) 13.339 3.851 ( 18.573 -2.398 5.151) 19.422 4.150 ( -2.571 5.160 3.451) 6.719 4.458 ( -5.325 5.522 -3.685) 8.510 4.927 ( 1.091 0.368 10.274) 10.338 5.705 ( 20.533 13.044 3.655) 24.599 6.048 ( -3.296 -4.198 -4.529) 7.000 8.033 ( 4.152 0.395 -2.979) 5.125 8.377 ( 4.265 3.929 3.332) 6.688 9.090 ( -9.122 -10.895 1.231) 14.263 9.770 ( -2.280 6.687 -2.889) 7.633 9.956 ( 2.925 2.541 -4.040) 5.598 10.157 ( -6.850 -4.682 -0.961) 8.352 10.565 ( -7.153 -8.357 -0.759) 11.026 11.091 ( 9.321 5.715 3.864) 11.596 12.670 ( 4.083 -3.523 4.800) 7.219 13.255 ( -5.636 15.409 -4.547) 17.025 13.844 ( 21.694 8.565 -5.514) 23.966 14.633 ( -2.657 4.223 5.811) 7.659 14.900 ( -7.639 -12.927 6.956) 16.548 16.182 ( 2.568 9.257 5.767) 11.205 16.849 ( -5.352 -6.571 3.932) 9.342 17.684 ( -8.743 -2.850 -17.405) 19.685 18.869 ( 8.425 -8.325 -4.778) 12.772 19.953 ( 1.357 -0.253 0.708) 1.552 20.090 ( -0.390 -1.262 -1.299) 1.852 20.184 ( -5.053 4.365 5.350) 8.556 ======================= Grid point 18 (12/294) ======================= q-point: ( 0.42 0.08 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.966 ( 4.813 3.525 -1.726) 6.211 2.255 ( 8.907 14.688 11.375) 20.602 2.598 ( 0.747 -6.528 -1.345) 6.707 3.194 ( -13.117 -0.322 -1.630) 13.222 3.989 ( 3.032 -3.585 -1.536) 4.940 4.115 ( -5.029 2.205 0.492) 5.513 4.443 ( 0.615 0.039 0.102) 0.625 5.088 ( 8.242 3.687 8.924) 12.695 5.863 ( -6.982 -8.821 -5.080) 12.344 6.313 ( 27.207 22.424 3.319) 35.413 8.045 ( -0.601 -4.276 -1.526) 4.580 8.508 ( 3.961 4.465 1.600) 6.179 8.841 ( -8.740 -8.132 1.071) 11.986 9.756 ( -2.595 -5.215 -0.429) 5.841 9.851 ( -9.507 5.090 -1.899) 10.950 10.083 ( -1.126 -2.248 -5.070) 5.660 10.467 ( 1.362 -1.565 0.982) 2.295 11.291 ( 6.151 4.962 2.040) 8.162 12.701 ( 3.380 -6.868 1.890) 7.885 13.298 ( -4.351 15.351 -2.804) 16.200 14.040 ( 2.724 -2.445 -1.864) 4.108 14.702 ( -6.860 -5.059 9.476) 12.746 14.871 ( 15.122 7.329 4.617) 17.427 16.302 ( -0.221 5.622 0.442) 5.644 16.712 ( -6.496 -5.808 6.511) 10.878 17.446 ( -7.361 -0.273 -12.630) 14.621 18.905 ( 8.589 -7.320 -6.196) 12.874 19.974 ( 1.111 -0.867 1.078) 1.774 20.063 ( -0.316 -1.075 -1.541) 1.906 20.163 ( -5.299 3.797 3.778) 7.534 ======================= Grid point 19 (13/294) ======================= q-point: ( 0.50 0.08 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.059 ( 3.916 4.226 -0.470) 5.780 2.457 ( -1.759 -3.315 -0.033) 3.753 2.623 ( 5.820 7.777 6.611) 11.750 2.989 ( -10.572 0.640 -1.405) 10.684 3.919 ( -1.123 -5.865 -4.466) 7.457 4.079 ( -5.352 5.266 1.336) 7.626 4.478 ( 4.409 -2.601 0.729) 5.171 5.297 ( 5.134 2.198 3.230) 6.452 5.636 ( -2.927 -9.235 -2.458) 9.995 6.928 ( 16.790 19.145 1.649) 25.518 7.888 ( -8.208 -7.325 -0.042) 11.001 8.518 ( -0.211 -5.620 -4.371) 7.123 8.788 ( 0.586 4.839 3.967) 6.285 9.586 ( -5.573 -6.378 -0.233) 8.473 9.834 ( -1.097 2.579 0.189) 2.809 10.015 ( -1.507 2.013 -3.404) 4.232 10.519 ( 2.895 -0.511 1.531) 3.315 11.391 ( 0.968 2.585 -0.056) 2.761 12.674 ( 2.527 -9.553 -0.529) 9.896 13.363 ( -4.399 14.704 0.216) 15.350 14.011 ( 1.050 -2.839 -1.906) 3.577 14.596 ( -5.863 -4.978 10.505) 13.020 15.219 ( 10.780 6.335 1.251) 12.567 16.264 ( -2.292 -2.732 -2.203) 4.192 16.627 ( -5.100 0.455 0.907) 5.200 17.348 ( -1.741 5.387 -0.587) 5.692 18.937 ( 7.939 -6.996 -6.649) 12.497 19.976 ( 0.218 -2.453 0.975) 2.649 20.053 ( 0.478 0.302 -0.840) 1.013 20.129 ( -4.684 2.997 2.189) 5.976 ======================= Grid point 20 (14/294) ======================= q-point: (-0.42 0.08 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.128 ( -0.654 -2.987 -0.923) 3.194 2.333 ( -7.612 4.460 -0.520) 8.838 2.815 ( 0.965 8.512 2.610) 8.955 2.874 ( -0.764 -0.662 -0.667) 1.211 3.852 ( 3.215 -6.708 -2.757) 7.934 4.058 ( -3.170 4.358 2.019) 5.755 4.519 ( 2.079 -2.054 0.365) 2.945 5.151 ( -10.393 -10.373 -6.089) 15.896 5.747 ( 12.348 2.999 4.729) 13.559 6.933 ( -24.826 -3.032 -2.803) 25.167 7.941 ( 13.610 8.170 2.287) 16.038 8.436 ( 1.371 -6.525 -6.251) 9.140 8.829 ( -3.610 2.894 2.398) 5.211 9.543 ( 5.466 -1.503 0.681) 5.710 9.821 ( -1.731 0.188 1.357) 2.208 10.078 ( 4.742 6.797 -0.492) 8.302 10.527 ( -1.712 -3.187 2.831) 4.593 11.370 ( -4.090 -0.063 -2.314) 4.700 12.607 ( 1.651 -10.669 -1.094) 10.851 13.422 ( -5.194 13.002 1.525) 14.084 14.040 ( 4.897 0.669 -1.247) 5.097 14.551 ( -0.779 -2.522 6.843) 7.334 15.209 ( -12.162 -5.477 -2.443) 13.560 16.268 ( 3.044 -1.631 2.959) 4.548 16.546 ( -1.269 3.303 -8.705) 9.397 17.484 ( 4.616 10.645 9.930) 15.272 18.955 ( 6.908 -7.031 -6.826) 11.990 19.954 ( 0.018 -3.162 0.827) 3.268 20.069 ( 0.622 1.272 -0.353) 1.459 20.093 ( -3.648 1.785 1.323) 4.271 ======================= Grid point 21 (15/294) ======================= q-point: (-0.33 0.08 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.902 ( -13.263 -8.599 -7.228) 17.381 2.340 ( -9.085 13.001 5.588) 16.816 2.777 ( -4.206 0.991 -3.856) 5.792 3.002 ( 10.148 1.557 1.349) 10.355 3.852 ( 5.105 -7.487 -1.715) 9.223 4.111 ( 2.975 5.910 3.070) 7.294 4.466 ( -6.775 -4.685 -1.837) 8.439 4.872 ( -6.290 -10.142 -1.800) 12.070 5.988 ( 8.802 4.351 2.161) 10.054 6.339 ( -32.955 -7.876 -5.100) 34.265 8.192 ( 2.901 4.026 3.485) 6.064 8.374 ( -0.721 -2.210 -6.421) 6.829 8.848 ( 7.124 2.713 -1.061) 7.696 9.658 ( 4.465 -1.531 1.923) 5.097 9.857 ( 5.140 4.625 2.447) 7.335 10.242 ( 4.640 5.686 2.909) 7.894 10.452 ( -2.239 -4.446 2.068) 5.390 11.236 ( -8.467 -2.320 -4.496) 9.863 12.524 ( 0.867 -10.324 -0.168) 10.362 13.450 ( -6.661 11.649 1.124) 13.465 14.152 ( 5.466 3.349 1.335) 6.548 14.595 ( 2.107 -3.270 4.861) 6.226 14.822 ( -17.084 -8.233 -6.902) 20.181 16.208 ( -7.654 -2.769 0.370) 8.147 16.649 ( 10.474 5.358 -5.196) 12.861 17.758 ( 6.886 12.330 12.983) 19.184 18.953 ( 5.862 -7.096 -7.618) 11.947 19.931 ( 0.308 -3.254 0.880) 3.385 20.054 ( -3.500 2.015 0.299) 4.049 20.094 ( 1.014 0.298 0.618) 1.224 ======================= Grid point 22 (16/294) ======================= q-point: (-0.25 0.08 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( -18.797 -5.220 -9.568) 21.728 2.199 ( -23.133 5.293 1.526) 23.779 2.767 ( 5.706 0.399 -0.827) 5.779 3.196 ( 8.202 2.090 0.888) 8.510 3.792 ( -4.318 -9.498 -3.291) 10.940 4.166 ( -15.356 -7.265 1.340) 17.040 4.302 ( 8.789 5.500 3.769) 11.032 4.781 ( 1.516 -3.199 0.084) 3.541 5.740 ( -24.021 -4.651 -7.655) 25.637 6.152 ( 3.322 2.063 1.251) 4.105 8.201 ( -4.843 0.947 4.344) 6.575 8.263 ( -3.984 -2.372 -7.125) 8.501 9.091 ( 15.736 4.801 -2.194) 16.598 9.651 ( -3.541 -0.701 2.698) 4.507 10.075 ( 10.228 4.810 3.714) 11.897 10.202 ( -8.680 -5.123 5.124) 11.306 10.567 ( 13.078 4.309 -1.031) 13.808 11.019 ( -10.604 -3.418 -5.355) 12.361 12.447 ( 0.347 -8.421 1.375) 8.540 13.430 ( -9.255 11.160 -0.639) 14.512 14.081 ( -23.079 -9.049 1.080) 24.814 14.455 ( 4.642 -0.656 3.276) 5.720 14.842 ( 14.192 2.359 -4.538) 15.085 16.046 ( -8.656 -2.178 -0.030) 8.926 16.827 ( 8.027 3.144 -2.582) 8.999 18.055 ( 6.520 11.375 12.628) 18.204 18.928 ( 5.184 -6.674 -9.907) 13.021 19.913 ( 0.391 -2.885 0.933) 3.057 20.018 ( -3.220 1.191 1.294) 3.669 20.116 ( 0.883 0.297 0.444) 1.032 ======================= Grid point 23 (17/294) ======================= q-point: (-0.17 0.08 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( -21.794 -1.052 -9.460) 23.782 1.752 ( -30.680 -2.420 -4.396) 31.088 2.873 ( -9.390 -3.362 1.334) 10.063 3.028 ( -18.059 -4.936 -1.037) 18.750 3.683 ( 5.429 4.824 5.011) 8.823 4.010 ( 1.941 -9.692 3.832) 10.601 4.537 ( 9.256 8.779 -1.450) 12.839 4.802 ( 3.387 -1.537 -1.740) 4.106 5.385 ( -11.926 -2.843 -4.579) 13.087 6.171 ( -2.474 0.309 -0.302) 2.511 8.111 ( -5.229 -0.929 -0.847) 5.378 8.186 ( -2.464 0.137 -2.314) 3.383 9.341 ( 12.399 -1.247 -1.717) 12.579 9.608 ( -5.808 7.592 3.081) 10.044 9.994 ( -9.678 -8.062 4.842) 13.495 10.286 ( 6.172 1.959 0.452) 6.491 10.808 ( -1.821 0.057 -5.575) 5.865 10.853 ( 12.064 1.636 1.808) 12.308 12.399 ( 0.020 -4.617 3.014) 5.514 13.349 ( -13.990 13.679 -6.177) 20.518 13.538 ( -24.364 -15.793 2.771) 29.167 14.652 ( 10.333 2.927 6.762) 12.691 15.104 ( 17.224 2.089 -3.587) 17.717 15.898 ( -7.616 -1.434 1.025) 7.817 16.929 ( 3.581 0.996 -1.324) 3.945 18.302 ( 4.863 7.159 9.747) 13.034 18.890 ( 4.851 -4.684 -13.197) 14.820 19.902 ( 0.199 -1.480 1.238) 1.940 19.987 ( -3.055 0.386 3.317) 4.527 20.132 ( 0.640 0.134 0.257) 0.702 ======================= Grid point 24 (18/294) ======================= q-point: (-0.08 0.08 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.715 ( -22.881 4.322 -3.272) 23.514 1.150 ( -33.874 -3.873 -8.625) 35.169 2.086 ( -58.793 0.818 5.744) 59.078 3.119 ( 8.607 -0.083 -0.015) 8.607 3.937 ( 11.161 6.081 3.094) 13.081 4.018 ( 6.292 -7.568 6.551) 11.823 4.709 ( 4.818 5.524 -4.747) 8.733 4.825 ( 3.876 -4.114 -2.403) 6.142 5.218 ( -6.319 0.008 1.840) 6.581 6.093 ( -5.995 0.057 -0.865) 6.057 8.046 ( -1.229 1.166 -3.473) 3.864 8.126 ( -3.762 -1.292 0.941) 4.087 9.411 ( 1.159 -2.742 -0.499) 3.018 9.685 ( -0.332 13.410 0.327) 13.418 9.794 ( -5.354 -10.918 1.614) 12.266 10.294 ( -4.759 0.364 0.611) 4.812 10.798 ( 4.423 0.007 -0.244) 4.430 11.141 ( 17.471 -0.196 0.440) 17.477 12.401 ( -0.283 1.135 4.489) 4.639 12.966 ( -26.758 -2.272 -3.758) 27.116 13.284 ( -6.940 1.262 -2.578) 7.510 14.864 ( 8.925 0.168 2.511) 9.273 15.372 ( 15.343 0.112 -0.986) 15.375 15.789 ( -5.636 -0.228 1.960) 5.972 16.956 ( 0.110 0.036 -0.330) 0.350 18.429 ( 3.585 -0.815 -2.201) 4.285 18.873 ( 3.545 0.935 -7.005) 7.906 19.908 ( 0.104 0.688 0.872) 1.116 19.964 ( -2.817 -0.827 6.169) 6.832 20.142 ( 0.379 -0.014 0.048) 0.382 ======================= Grid point 26 (19/294) ======================= q-point: ( 0.08 0.17 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( -3.235 16.337 29.393) 33.783 1.326 ( -11.263 31.208 11.809) 35.217 2.098 ( -33.623 43.586 8.603) 55.716 3.055 ( 3.977 -6.532 -5.286) 9.296 3.783 ( 6.177 -8.504 -12.661) 16.455 4.009 ( 0.912 -9.600 1.823) 9.814 4.830 ( 13.166 -2.040 0.471) 13.331 5.040 ( 7.584 -16.550 24.447) 30.481 5.198 ( -10.875 5.830 0.767) 12.363 6.102 ( -2.325 6.730 0.230) 7.124 8.033 ( -0.712 1.928 -2.772) 3.451 8.178 ( -3.785 2.890 4.628) 6.641 9.408 ( 1.797 0.293 -0.860) 2.014 9.677 ( 12.226 5.952 -0.746) 13.619 9.760 ( -9.824 -0.343 -2.223) 10.078 10.212 ( -10.858 4.564 -7.378) 13.898 10.805 ( 0.746 -4.712 0.585) 4.806 11.159 ( 9.739 -15.566 1.951) 18.465 12.346 ( -0.521 -1.837 -2.265) 2.963 12.994 ( -19.646 18.151 0.332) 26.749 13.351 ( 6.792 15.819 4.765) 17.863 14.565 ( -3.601 10.406 -26.944) 29.107 15.452 ( 6.967 -14.194 7.349) 17.436 15.788 ( -2.485 3.797 1.699) 4.846 16.972 ( -0.259 0.549 1.328) 1.460 18.256 ( 4.250 3.074 -14.116) 15.059 19.039 ( -2.345 -13.226 6.876) 15.090 19.880 ( -0.172 -0.775 -1.969) 2.123 19.984 ( 1.559 1.219 6.359) 6.660 20.140 ( 0.341 -0.260 -0.166) 0.460 ======================= Grid point 27 (20/294) ======================= q-point: ( 0.17 0.17 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( -5.047 14.595 30.216) 33.934 1.437 ( -11.905 31.131 7.684) 34.204 2.442 ( 9.341 46.839 10.957) 49.002 2.978 ( -1.631 -7.044 -5.627) 9.162 3.710 ( 5.203 -8.942 -11.819) 15.708 4.041 ( 8.061 -5.748 1.282) 9.983 4.836 ( -8.428 -12.164 5.911) 15.936 5.073 ( 10.191 -12.400 4.601) 16.697 5.169 ( -6.617 6.693 10.617) 14.188 6.141 ( -1.898 6.733 0.497) 7.013 7.983 ( -4.220 1.770 -3.571) 5.804 8.202 ( 0.346 4.882 3.684) 6.126 9.451 ( 1.494 -11.491 -1.492) 11.683 9.590 ( -4.276 6.482 1.337) 7.880 10.004 ( 16.515 9.785 -1.478) 19.253 10.053 ( -10.184 8.546 -6.896) 14.977 10.747 ( -0.536 -7.509 -0.366) 7.537 11.088 ( 0.401 -17.699 0.970) 17.730 12.417 ( 8.108 1.075 -0.378) 8.188 12.926 ( -6.458 17.040 -0.413) 18.227 13.569 ( -5.933 19.148 4.369) 20.516 14.580 ( 5.335 15.377 -19.755) 25.596 15.367 ( -2.890 -16.488 5.526) 17.628 15.870 ( 4.114 5.102 5.868) 8.796 16.977 ( -0.562 -0.138 1.574) 1.677 18.208 ( -3.848 1.441 -15.340) 15.880 18.807 ( -6.178 -17.939 3.991) 19.388 19.893 ( 1.625 0.462 -1.956) 2.584 20.088 ( 3.246 -0.055 3.846) 5.033 20.158 ( 2.384 1.187 2.649) 3.756 ======================= Grid point 28 (21/294) ======================= q-point: ( 0.25 0.17 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( -1.843 18.260 18.723) 26.218 1.713 ( 1.635 27.147 8.468) 28.484 2.796 ( -2.739 -8.143 -7.395) 11.336 3.139 ( 17.943 23.734 10.791) 31.650 3.655 ( 2.005 -5.000 -5.973) 8.043 4.128 ( 5.387 -0.373 0.686) 5.443 4.617 ( -6.658 -7.067 1.129) 9.775 5.060 ( -4.467 -7.292 12.981) 15.544 5.268 ( 6.480 7.744 0.058) 10.097 6.145 ( -3.442 2.870 -0.993) 4.591 7.950 ( -0.452 3.760 -3.048) 4.861 8.286 ( 1.628 4.212 3.025) 5.436 9.280 ( -4.570 -10.111 -1.444) 11.190 9.696 ( 6.240 1.829 2.357) 6.916 9.961 ( -6.273 9.050 -7.535) 13.343 10.290 ( 5.953 5.025 1.132) 7.872 10.669 ( 1.370 -7.994 -1.881) 8.325 10.916 ( -1.659 -11.303 1.307) 11.498 12.546 ( 4.703 -0.735 5.133) 7.000 13.111 ( 11.955 13.938 -5.766) 19.246 13.619 ( -11.923 24.883 -0.542) 27.598 14.709 ( 2.982 7.411 -2.530) 8.380 15.151 ( -7.607 -15.488 4.375) 17.801 16.054 ( 6.056 7.022 8.219) 12.391 16.956 ( -1.891 -3.189 2.741) 4.611 17.994 ( -9.948 -0.383 -18.457) 20.971 18.644 ( 2.901 -14.278 0.866) 14.596 19.912 ( 1.296 0.324 -0.681) 1.499 20.099 ( -0.017 -1.489 -0.603) 1.606 20.250 ( 2.087 1.692 4.866) 5.558 ======================= Grid point 29 (22/294) ======================= q-point: ( 0.33 0.17 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.800 ( 4.021 16.161 9.717) 19.281 2.035 ( 3.692 21.276 9.281) 23.504 2.629 ( -3.144 -6.160 -6.561) 9.533 3.452 ( 6.346 -9.591 -3.332) 11.973 3.677 ( 4.038 3.970 7.475) 9.378 4.205 ( 1.665 1.709 -2.148) 3.210 4.526 ( -1.123 -0.938 -0.546) 1.562 5.006 ( -4.535 -0.968 10.956) 11.897 5.566 ( 16.358 18.480 2.456) 24.802 6.063 ( -5.534 -2.608 -3.121) 6.869 7.987 ( 1.593 3.079 -1.619) 3.826 8.372 ( 2.865 4.440 2.114) 5.692 9.101 ( -5.135 -11.948 0.639) 13.020 9.790 ( 2.121 -2.139 1.306) 3.284 9.954 ( 0.605 10.378 -7.720) 12.948 10.256 ( -8.939 -1.938 0.508) 9.161 10.549 ( -3.219 -11.386 -1.957) 11.993 10.986 ( 10.973 3.250 2.132) 11.641 12.607 ( 1.774 -3.090 4.827) 5.999 13.394 ( 9.509 8.283 -6.112) 14.014 13.735 ( -0.342 27.115 -2.096) 27.198 14.768 ( -3.620 3.008 8.560) 9.769 14.915 ( -6.548 -13.257 5.119) 15.647 16.263 ( 3.861 8.945 7.909) 12.549 16.880 ( -3.838 -7.032 4.424) 9.151 17.725 ( -9.524 0.883 -19.173) 21.426 18.608 ( 7.807 -12.150 -2.987) 14.748 19.934 ( 1.315 0.231 0.122) 1.341 20.073 ( -0.337 -1.797 -1.501) 2.366 20.294 ( -1.364 1.602 3.769) 4.317 ======================= Grid point 30 (23/294) ======================= q-point: ( 0.42 0.17 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.998 ( -0.180 11.047 2.871) 11.415 2.336 ( 5.487 14.110 10.416) 18.377 2.533 ( 0.323 -2.536 -3.204) 4.099 3.333 ( -6.525 -4.392 -4.175) 8.905 3.832 ( 9.141 -5.474 4.329) 11.500 4.168 ( -1.701 -1.063 -4.470) 4.899 4.496 ( -3.328 0.614 -0.070) 3.385 5.040 ( 3.348 -0.486 8.530) 9.177 5.869 ( -7.429 -8.638 -3.504) 11.920 6.166 ( 23.122 29.460 3.200) 37.587 8.009 ( 0.140 -1.264 -0.417) 1.339 8.491 ( 4.207 4.627 0.872) 6.314 8.895 ( -7.073 -10.152 1.763) 12.498 9.742 ( -2.513 -6.105 -0.528) 6.623 10.039 ( 1.937 6.352 -6.313) 9.163 10.064 ( -11.570 0.065 -0.900) 11.605 10.423 ( 0.404 -6.325 0.545) 6.362 11.216 ( 9.947 4.452 0.941) 10.938 12.603 ( 0.930 -6.054 1.737) 6.366 13.511 ( -1.727 13.085 -2.514) 13.436 13.981 ( 3.608 10.036 -1.574) 10.780 14.772 ( -1.249 -6.932 8.044) 10.692 14.824 ( 0.708 5.397 9.749) 11.166 16.384 ( -2.464 4.427 2.526) 5.661 16.780 ( -3.615 -5.224 6.760) 9.277 17.512 ( -7.270 3.898 -14.266) 16.480 18.621 ( 10.102 -11.194 -6.276) 16.333 19.957 ( 1.031 -0.266 0.721) 1.286 20.042 ( -0.030 -1.707 -2.000) 2.630 20.285 ( -3.585 1.655 2.771) 4.824 ======================= Grid point 31 (24/294) ======================= q-point: ( 0.50 0.17 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.072 ( -0.493 5.552 1.361) 5.738 2.461 ( -0.352 0.358 0.817) 0.959 2.652 ( 5.754 9.930 6.601) 13.240 3.153 ( -9.562 -0.867 -2.662) 9.963 3.828 ( 0.300 -10.718 -3.414) 11.253 4.192 ( 2.968 5.454 -0.963) 6.284 4.434 ( -4.309 0.423 0.972) 4.438 5.202 ( 10.852 0.645 5.343) 12.114 5.600 ( -8.861 -13.459 -4.104) 16.629 6.847 ( 21.823 28.999 2.645) 36.389 7.940 ( -5.387 -5.894 0.762) 8.022 8.470 ( -4.717 -8.536 -3.249) 10.280 8.837 ( 2.095 5.765 3.841) 7.237 9.596 ( -5.173 -9.881 -0.558) 11.168 9.916 ( -6.147 0.660 -0.391) 6.195 10.049 ( -1.927 5.655 -5.228) 7.939 10.452 ( 5.103 -1.949 1.913) 5.787 11.374 ( 4.764 2.765 -0.529) 5.534 12.552 ( 0.936 -8.169 -0.329) 8.229 13.589 ( -3.934 14.564 0.110) 15.086 13.987 ( -3.022 -0.923 -1.388) 3.451 14.704 ( -5.353 -8.177 14.929) 17.844 15.108 ( 13.196 12.994 1.994) 18.627 16.282 ( -6.461 -6.181 -1.860) 9.133 16.737 ( -5.391 2.080 1.878) 6.076 17.439 ( -1.985 8.265 -2.116) 8.760 18.650 ( 10.871 -10.629 -8.392) 17.366 19.960 ( -0.074 -1.828 0.543) 1.909 20.031 ( 1.216 -0.421 -1.317) 1.841 20.246 ( -4.579 1.672 2.017) 5.275 ======================= Grid point 32 (25/294) ======================= q-point: (-0.42 0.17 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.094 ( -0.348 -2.945 0.747) 3.058 2.486 ( -1.940 10.021 0.696) 10.231 2.818 ( 2.693 2.745 3.988) 5.540 3.001 ( -8.205 3.170 -2.022) 9.025 3.715 ( 2.099 -10.221 -2.339) 10.693 4.239 ( -7.388 11.009 -0.089) 13.259 4.418 ( 4.391 -4.284 0.383) 6.147 5.201 ( -11.289 -10.999 -3.814) 16.216 5.544 ( 16.159 -1.426 3.391) 16.572 7.257 ( -9.111 12.313 -0.994) 15.350 7.835 ( 5.714 2.699 2.786) 6.907 8.308 ( 0.247 -8.908 -5.857) 10.664 8.939 ( -2.730 4.813 2.966) 6.279 9.461 ( 1.177 -5.546 0.090) 5.671 9.859 ( -2.074 0.108 1.241) 2.419 10.076 ( 1.754 6.693 -3.259) 7.648 10.511 ( 2.221 -3.103 2.981) 4.842 11.412 ( -1.273 0.763 -1.959) 2.458 12.487 ( 1.168 -8.494 -0.331) 8.580 13.636 ( -5.946 11.536 0.216) 12.981 13.965 ( 2.997 0.900 -1.658) 3.542 14.622 ( -5.293 -6.243 12.398) 14.856 15.316 ( -3.323 3.923 -0.664) 5.184 16.175 ( 4.288 -4.274 -0.103) 6.055 16.629 ( -8.697 2.937 -4.983) 10.444 17.574 ( 3.867 11.713 7.495) 14.433 18.677 ( 10.419 -10.135 -9.470) 17.348 19.937 ( -0.325 -2.342 0.412) 2.400 20.050 ( 1.623 0.112 -0.331) 1.661 20.195 ( -4.695 1.517 1.673) 5.210 ======================= Grid point 33 (26/294) ======================= q-point: (-0.33 0.17 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.989 ( -7.606 -4.969 -1.304) 9.178 2.565 ( -2.293 9.627 1.471) 10.005 2.836 ( -4.781 -2.728 -3.050) 6.293 2.954 ( 0.981 8.738 1.687) 8.953 3.693 ( 5.106 -7.905 0.269) 9.414 4.220 ( -5.956 10.283 2.736) 12.195 4.440 ( 2.388 -5.211 -2.797) 6.378 4.886 ( -9.159 -12.738 0.159) 15.690 5.836 ( 15.060 2.617 0.958) 15.316 6.827 ( -35.459 -3.586 -3.384) 35.800 8.153 ( 9.673 7.794 2.172) 12.610 8.262 ( 7.894 -1.744 -5.777) 9.936 8.851 ( -6.716 -1.581 -0.098) 6.900 9.552 ( 8.778 0.678 1.896) 9.006 9.863 ( 0.712 1.711 2.740) 3.308 10.195 ( 6.677 6.321 -1.816) 9.372 10.480 ( -3.332 -5.835 4.037) 7.839 11.330 ( -6.855 -0.770 -3.240) 7.622 12.433 ( 0.899 -6.956 1.252) 7.124 13.633 ( -4.559 8.130 -1.638) 9.464 14.073 ( 7.232 3.072 0.244) 7.861 14.572 ( -1.044 -3.823 7.243) 8.256 15.062 ( -21.609 -5.056 -3.441) 22.458 16.283 ( 2.276 -0.960 4.091) 4.779 16.530 ( 1.315 4.205 -7.111) 8.366 17.826 ( 6.977 11.413 9.279) 16.280 18.691 ( 9.025 -8.913 -10.085) 16.204 19.916 ( -0.203 -1.949 0.947) 2.176 20.077 ( 1.526 0.122 -0.026) 1.532 20.144 ( -4.312 1.077 2.084) 4.909 ======================= Grid point 34 (27/294) ======================= q-point: (-0.25 0.17 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( -15.861 -0.523 -2.643) 16.088 2.546 ( -15.156 -1.502 -0.922) 15.259 2.669 ( 2.786 -2.620 -4.256) 5.722 3.166 ( 5.847 15.163 3.366) 16.596 3.686 ( 2.761 -8.974 0.242) 9.392 4.273 ( -3.584 -4.026 4.910) 7.292 4.344 ( -2.820 5.839 -1.939) 6.768 4.732 ( -0.294 -7.475 4.365) 8.661 6.049 ( 4.792 2.859 -3.353) 6.510 6.178 ( -31.426 -3.879 -3.238) 31.829 8.191 ( 1.873 -1.946 -4.669) 5.394 8.363 ( -5.577 2.613 1.395) 6.316 8.873 ( 11.861 1.685 -1.513) 12.075 9.682 ( 3.432 2.046 1.624) 4.313 9.971 ( 7.750 2.853 3.772) 9.079 10.328 ( -7.289 -3.601 4.005) 9.063 10.394 ( 9.540 0.594 -1.395) 9.660 11.152 ( -10.938 -1.399 -3.264) 11.500 12.404 ( 0.206 -3.711 3.465) 5.081 13.617 ( -4.722 5.290 -2.046) 7.380 14.205 ( 3.347 -0.489 -0.937) 3.510 14.563 ( -13.276 -3.788 4.701) 14.584 14.668 ( -1.587 0.158 -4.652) 4.918 16.196 ( -9.782 -0.864 3.064) 10.287 16.679 ( 11.237 2.620 -3.353) 12.016 18.083 ( 8.198 6.305 5.945) 11.929 18.697 ( 6.884 -4.615 -9.770) 12.812 19.905 ( -0.144 -1.087 1.415) 1.790 20.098 ( -1.643 1.314 -0.216) 2.115 20.103 ( -0.796 -0.972 3.716) 3.922 ======================= Grid point 35 (28/294) ======================= q-point: (-0.17 0.17 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( -21.279 4.181 -1.258) 21.723 2.124 ( -24.371 -7.628 -7.675) 26.665 2.774 ( 9.474 -0.129 -0.246) 9.478 3.366 ( -7.648 13.656 4.448) 16.272 3.635 ( 4.224 -6.269 -1.188) 7.652 4.044 ( -12.326 -8.232 8.735) 17.204 4.510 ( 5.835 10.308 1.934) 12.002 4.716 ( 2.298 -6.179 2.631) 7.098 5.618 ( -23.546 0.049 -4.926) 24.056 6.167 ( 2.924 0.474 -2.458) 3.849 8.152 ( -2.152 -0.113 -7.378) 7.686 8.259 ( -6.848 0.092 4.059) 7.961 9.109 ( 14.229 -0.488 -0.939) 14.268 9.747 ( -0.433 6.733 1.267) 6.865 10.110 ( -10.642 -8.456 3.281) 13.983 10.169 ( 9.390 1.466 1.303) 9.592 10.610 ( 14.040 1.167 -1.296) 14.148 10.941 ( -11.396 -0.490 -0.458) 11.416 12.414 ( -0.242 0.925 5.586) 5.667 13.528 ( -7.248 -3.233 -1.442) 8.066 13.911 ( -27.229 1.279 -8.230) 28.474 14.537 ( 7.681 1.307 4.328) 8.913 14.831 ( 14.969 0.553 -1.017) 15.014 16.045 ( -9.677 -0.836 3.776) 10.421 16.837 ( 7.775 0.477 -1.595) 7.951 18.238 ( 8.089 -4.038 -3.980) 9.878 18.743 ( 4.364 4.620 -5.113) 8.157 19.907 ( -0.023 0.200 1.362) 1.377 20.065 ( -3.207 -0.792 5.278) 6.226 20.120 ( 0.991 -0.289 0.406) 1.109 ======================= Grid point 36 (29/294) ======================= q-point: (-0.08 0.17 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.152 ( -22.860 6.100 5.369) 24.261 1.598 ( -27.937 0.597 -8.284) 29.145 2.922 ( 5.826 -0.774 0.270) 5.883 3.061 ( -37.616 10.230 5.738) 39.402 3.746 ( 8.883 -5.317 -3.071) 10.799 3.972 ( 3.514 1.019 11.268) 11.847 4.677 ( 5.023 -4.075 -5.331) 8.382 4.705 ( 2.155 1.565 6.805) 7.307 5.360 ( -9.542 3.095 0.683) 10.055 6.158 ( -2.128 0.517 -2.774) 3.534 8.072 ( -2.865 2.519 -6.442) 7.487 8.195 ( -4.461 -0.738 4.448) 6.343 9.291 ( 10.160 -1.325 -0.231) 10.248 9.787 ( -3.704 -4.467 -0.184) 5.806 9.875 ( -9.380 6.067 -2.204) 11.387 10.309 ( 5.348 -1.840 1.913) 5.970 10.802 ( -3.318 2.954 0.181) 4.447 10.849 ( 13.783 -4.368 2.275) 14.637 12.474 ( -0.591 4.686 6.935) 8.391 13.251 ( -15.295 -13.100 -0.261) 20.140 13.534 ( -21.215 15.827 -10.938) 28.639 14.691 ( 9.147 -3.553 -0.900) 9.854 15.097 ( 17.053 -1.344 1.114) 17.142 15.918 ( -7.939 -0.062 4.180) 8.972 16.924 ( 3.785 -0.557 -0.148) 3.828 18.244 ( 6.940 -7.168 -14.317) 17.451 18.860 ( 3.065 8.408 1.436) 9.064 19.921 ( 0.045 1.409 0.493) 1.493 20.034 ( -2.999 -3.135 7.385) 8.565 20.132 ( 0.687 -0.322 -0.053) 0.761 ======================= Grid point 38 (30/294) ======================= q-point: ( 0.08 0.25 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( -5.962 13.558 25.415) 29.416 1.828 ( -8.612 29.990 4.610) 31.541 2.838 ( -1.691 -3.795 -3.236) 5.266 3.096 ( -23.603 17.922 8.728) 30.894 3.579 ( 0.085 -0.056 -7.570) 7.570 3.949 ( -6.096 -10.690 -3.618) 12.827 4.546 ( 16.022 -4.115 -0.939) 16.568 4.903 ( 4.404 -10.800 7.765) 14.012 5.480 ( -11.004 11.386 7.569) 17.550 6.172 ( 0.812 3.868 -0.129) 3.954 8.069 ( -1.920 4.816 -3.321) 6.157 8.281 ( -2.096 2.421 6.196) 6.974 9.359 ( 2.126 -11.148 0.225) 11.351 9.559 ( 6.305 9.888 -2.368) 11.963 9.914 ( -8.889 3.571 -4.279) 10.492 10.255 ( 2.528 -5.278 -2.928) 6.543 10.821 ( 1.570 -4.198 -1.426) 4.704 10.893 ( 1.908 -4.860 3.601) 6.343 12.361 ( -6.309 -4.987 -1.753) 8.231 13.368 ( 0.585 11.308 -3.232) 11.776 13.566 ( -15.132 26.901 5.550) 31.360 14.521 ( 1.508 -1.720 -8.273) 8.583 15.213 ( 11.070 -13.364 9.121) 19.604 15.904 ( -5.762 4.085 1.664) 7.256 16.965 ( 2.259 -1.704 2.819) 3.994 18.074 ( 10.404 1.788 -15.793) 18.996 19.001 ( -2.368 -7.259 1.023) 7.703 19.880 ( -2.797 -2.689 -1.561) 4.182 20.015 ( 0.178 0.808 5.404) 5.467 20.127 ( 0.698 -0.320 -0.322) 0.833 ======================= Grid point 39 (31/294) ======================= q-point: ( 0.17 0.25 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( -1.259 15.443 23.834) 28.428 1.988 ( -12.553 23.041 14.211) 29.840 2.748 ( -2.500 3.030 -4.443) 5.930 3.072 ( -9.312 22.613 6.091) 25.202 3.518 ( 0.423 -0.218 -13.778) 13.787 3.840 ( 7.069 -9.827 0.624) 12.122 4.748 ( 12.986 -5.843 -0.319) 14.244 4.840 ( 0.532 -15.332 3.958) 15.844 5.459 ( -10.972 12.291 9.154) 18.848 6.225 ( -0.282 4.426 1.334) 4.631 8.053 ( -3.307 3.802 -2.818) 5.773 8.297 ( -2.678 3.845 5.054) 6.891 9.291 ( 2.663 -10.682 -0.271) 11.012 9.763 ( -7.838 2.996 -1.884) 8.600 9.819 ( 11.666 8.769 -4.177) 15.181 10.209 ( -1.768 0.564 -1.871) 2.636 10.732 ( -5.548 -1.960 -0.756) 5.932 10.889 ( 4.596 -13.684 0.320) 14.438 12.310 ( 3.975 0.828 -2.744) 4.900 13.272 ( -14.774 11.655 1.796) 18.903 13.836 ( 0.656 26.086 5.970) 26.769 14.528 ( 4.297 7.158 -10.604) 13.496 15.245 ( 3.660 -16.161 8.907) 18.812 15.914 ( -0.159 5.763 4.299) 7.191 16.985 ( 0.349 -1.721 2.712) 3.231 18.128 ( 4.411 0.930 -16.309) 16.920 18.788 ( -9.003 -16.378 0.874) 18.710 19.854 ( 1.623 0.703 -2.859) 3.362 20.068 ( 1.625 -0.063 4.058) 4.372 20.145 ( 1.720 0.725 1.846) 2.625 ======================= Grid point 40 (32/294) ======================= q-point: ( 0.25 0.25 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.887 ( -5.061 12.764 23.936) 27.595 2.055 ( -9.102 25.056 7.486) 27.689 2.704 ( 0.393 -6.370 -5.688) 8.549 3.191 ( 0.456 6.309 0.207) 6.329 3.553 ( 5.270 9.224 -2.862) 11.002 3.943 ( 12.369 -4.075 -2.485) 13.258 4.647 ( -5.104 -11.619 2.026) 12.851 4.941 ( 12.125 -3.028 2.681) 12.782 5.458 ( -9.353 14.614 6.706) 18.602 6.234 ( -3.669 1.712 0.945) 4.157 8.016 ( -3.567 5.060 -1.969) 6.497 8.338 ( -0.590 4.749 3.407) 5.874 9.196 ( -0.228 -13.835 -0.488) 13.845 9.709 ( -1.866 5.172 0.152) 5.500 9.969 ( 3.854 -0.662 -7.660) 8.600 10.293 ( 6.234 8.530 2.060) 10.764 10.615 ( -5.365 -3.091 -1.084) 6.286 10.800 ( 1.667 -12.373 -0.533) 12.496 12.437 ( 9.466 1.609 -0.491) 9.615 13.207 ( -7.306 11.877 0.919) 13.974 14.019 ( -8.368 23.669 1.559) 25.153 14.680 ( 7.637 7.718 -1.550) 10.968 15.149 ( -3.660 -11.327 5.530) 13.126 16.053 ( 6.037 5.752 8.294) 11.761 16.972 ( -1.426 -3.512 3.579) 5.213 18.022 ( -5.656 -0.189 -19.715) 20.512 18.516 ( -3.885 -16.465 2.243) 17.066 19.882 ( 2.150 0.882 -2.184) 3.189 20.079 ( 0.113 -1.746 -0.231) 1.765 20.229 ( 4.034 1.028 4.147) 5.876 ======================= Grid point 41 (33/294) ======================= q-point: ( 0.33 0.25 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.035 ( -4.027 15.084 16.052) 22.392 2.253 ( -0.775 21.396 4.727) 21.926 2.595 ( -2.697 -4.261 -5.340) 7.345 3.217 ( 7.017 -10.047 -0.428) 12.262 3.685 ( 2.516 1.314 1.942) 3.439 4.074 ( 9.440 -3.344 -7.296) 12.391 4.507 ( -1.615 -7.598 1.285) 7.873 5.110 ( 1.962 1.968 8.310) 8.762 5.602 ( 4.868 26.125 3.379) 26.789 6.138 ( -7.490 -2.740 -0.959) 8.033 8.023 ( -1.555 5.536 -0.332) 5.760 8.392 ( 0.867 3.782 1.670) 4.225 9.046 ( -2.246 -13.007 0.884) 13.229 9.754 ( 1.337 0.728 0.975) 1.808 9.954 ( 1.696 0.314 -5.653) 5.910 10.381 ( -2.145 -2.619 -1.997) 3.930 10.486 ( -5.967 -2.945 -1.488) 6.819 10.832 ( 10.694 0.615 1.194) 10.778 12.573 ( 4.446 -1.266 3.153) 5.595 13.281 ( 5.428 9.535 -4.462) 11.844 14.095 ( -9.292 24.455 0.513) 26.165 14.825 ( 3.038 -2.229 8.969) 9.728 15.001 ( -9.110 -0.835 3.332) 9.736 16.287 ( 8.153 7.219 8.862) 14.040 16.903 ( -3.961 -7.385 5.585) 10.071 17.777 ( -8.765 1.521 -21.306) 23.088 18.384 ( 3.243 -14.364 0.496) 14.734 19.912 ( 1.774 0.723 -1.004) 2.163 20.052 ( -0.435 -2.180 -1.376) 2.615 20.307 ( 2.264 0.132 2.690) 3.518 ======================= Grid point 42 (34/294) ======================= q-point: ( 0.42 0.25 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.189 ( -4.104 13.618 6.757) 15.746 2.442 ( 1.237 8.796 7.228) 11.452 2.519 ( -0.766 4.566 -3.921) 6.067 3.242 ( 6.527 -8.476 -1.860) 10.858 3.706 ( 2.821 -6.367 3.553) 7.818 4.093 ( 3.561 -3.830 -8.879) 10.305 4.469 ( 3.710 -4.797 0.463) 6.082 5.123 ( -5.707 2.613 6.864) 9.301 5.918 ( -9.470 -6.900 -0.825) 11.747 6.143 ( 17.898 32.620 2.701) 37.305 8.031 ( -2.565 1.573 0.907) 3.143 8.467 ( 3.434 2.021 0.734) 4.051 8.899 ( -3.452 -8.814 2.263) 9.732 9.717 ( -2.326 -6.480 -0.930) 6.947 9.997 ( 3.102 1.645 -2.077) 4.080 10.256 ( -6.552 0.643 -4.574) 8.016 10.361 ( -3.592 -4.440 -0.421) 5.726 11.067 ( 12.624 3.581 0.353) 13.127 12.579 ( -1.620 -4.405 2.429) 5.285 13.479 ( 10.854 6.989 -4.968) 13.833 14.178 ( -7.968 18.175 1.991) 19.945 14.804 ( -3.316 -5.362 7.386) 9.711 14.961 ( -4.218 7.651 8.879) 12.456 16.469 ( -0.678 2.647 4.617) 5.365 16.808 ( -1.354 -5.462 7.715) 9.550 17.580 ( -5.823 5.678 -17.133) 18.965 18.333 ( 7.105 -13.479 -3.048) 15.539 19.941 ( 1.374 0.425 -0.023) 1.438 20.014 ( -0.318 -2.299 -2.074) 3.112 20.334 ( -0.279 -0.160 1.498) 1.532 ======================= Grid point 43 (35/294) ======================= q-point: ( 0.50 0.25 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.201 ( -7.169 5.323 2.302) 9.221 2.491 ( 0.068 5.034 1.364) 5.216 2.683 ( 5.543 8.902 5.182) 11.697 3.213 ( -1.476 -3.272 -3.529) 5.034 3.681 ( 2.114 -12.501 -0.634) 12.694 4.094 ( 6.212 -0.982 -4.829) 7.929 4.535 ( 2.925 4.229 1.087) 5.256 5.112 ( 0.065 1.177 4.576) 4.725 5.629 ( -12.022 -12.719 -2.868) 17.734 6.801 ( 20.925 31.911 2.963) 38.275 7.979 ( -4.044 -2.124 1.326) 4.757 8.449 ( -3.774 -10.470 0.225) 11.132 8.874 ( 2.175 6.000 2.531) 6.866 9.572 ( -4.536 -10.115 -1.387) 11.172 9.980 ( -3.083 -3.119 0.178) 4.389 10.162 ( -7.186 8.624 -7.113) 13.290 10.342 ( 5.947 -4.071 2.211) 7.538 11.273 ( 9.320 1.658 -1.003) 9.520 12.497 ( -2.247 -6.348 0.389) 6.745 13.672 ( 6.632 7.674 -2.422) 10.428 14.131 ( -11.934 5.472 0.878) 13.158 14.777 ( -2.803 -6.340 14.168) 15.773 15.108 ( 5.301 16.816 2.738) 17.844 16.333 ( -9.327 -9.429 -0.071) 13.263 16.844 ( -2.033 3.821 3.693) 5.689 17.526 ( -0.903 8.538 -5.051) 9.961 18.325 ( 9.971 -12.024 -6.505) 16.921 19.949 ( -0.327 -1.611 0.041) 1.644 19.995 ( 1.554 -0.498 -1.607) 2.291 20.317 ( -2.209 -0.107 0.862) 2.374 ======================= Grid point 44 (36/294) ======================= q-point: ( 0.58 0.25 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.126 ( -5.234 -0.567 1.635) 5.512 2.587 ( 1.331 9.826 0.767) 9.945 2.832 ( 1.836 2.768 4.070) 5.253 3.123 ( -5.129 1.287 -2.954) 6.057 3.566 ( 1.701 -12.435 -1.695) 12.665 4.196 ( 9.026 -2.035 -3.370) 9.848 4.589 ( -9.184 13.671 2.563) 16.668 5.249 ( 7.148 0.066 0.429) 7.161 5.280 ( -4.754 -16.452 -0.691) 17.139 7.394 ( 13.840 25.952 0.283) 29.414 7.870 ( -7.151 -3.310 3.457) 8.605 8.223 ( -5.643 -12.275 -3.261) 13.898 9.025 ( 1.948 8.388 2.688) 9.022 9.396 ( -2.460 -9.847 -1.017) 10.200 9.904 ( -3.087 -1.078 0.735) 3.351 10.116 ( -2.269 5.909 -4.589) 7.818 10.432 ( 5.702 -2.780 2.448) 6.799 11.381 ( 4.154 -0.467 -1.796) 4.549 12.413 ( -0.562 -6.123 -0.177) 6.151 13.798 ( -0.374 7.171 -0.029) 7.181 13.985 ( -6.948 2.679 -1.900) 7.685 14.718 ( -5.380 -7.555 13.390) 16.289 15.396 ( 4.631 16.040 0.233) 16.696 16.095 ( -4.367 -10.698 -1.383) 11.637 16.791 ( -8.888 3.869 -1.703) 9.843 17.640 ( 4.136 8.161 4.474) 10.184 18.359 ( 10.990 -8.581 -7.919) 16.036 19.921 ( -0.259 -2.157 -0.227) 2.184 20.019 ( 1.905 0.133 -0.483) 1.970 20.275 ( -3.276 -0.080 0.784) 3.370 ======================= Grid point 45 (37/294) ======================= q-point: (-0.33 0.25 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.049 ( -4.346 -1.378 1.336) 4.751 2.646 ( -2.551 3.310 -3.452) 5.420 2.859 ( -1.909 -1.603 0.618) 2.568 3.076 ( -2.200 8.363 1.348) 8.752 3.540 ( 5.963 -6.987 1.820) 9.364 4.284 ( 7.257 -3.673 -4.025) 9.076 4.531 ( -14.630 13.223 2.867) 19.928 4.924 ( -10.455 -14.230 0.977) 17.685 5.565 ( 19.853 0.831 -0.549) 19.878 7.347 ( -30.223 1.166 -0.545) 30.250 8.035 ( 16.772 6.204 -0.033) 17.883 8.101 ( 3.253 -0.411 -2.920) 4.390 8.983 ( -10.336 -1.953 0.308) 10.523 9.416 ( 9.227 -0.361 1.315) 9.327 9.880 ( -0.148 0.205 1.779) 1.797 10.152 ( 3.000 4.384 -2.474) 5.860 10.472 ( 0.973 -3.966 2.666) 4.877 11.379 ( -1.719 -1.608 -1.866) 3.004 12.373 ( 1.209 -3.768 0.879) 4.053 13.757 ( -6.359 2.052 -0.411) 6.695 14.008 ( 3.961 4.495 -2.188) 6.378 14.628 ( -5.023 -5.309 8.087) 10.900 15.368 ( -18.294 3.654 -2.049) 18.768 16.123 ( 13.716 -1.216 -0.044) 13.770 16.645 ( -10.791 2.549 -1.390) 11.175 17.815 ( 7.529 2.158 3.640) 8.637 18.437 ( 9.377 -1.544 -5.931) 11.202 19.904 ( 0.205 -1.612 0.453) 1.687 20.049 ( 1.790 0.058 -0.237) 1.807 20.223 ( -3.547 -0.345 1.395) 3.827 ======================= Grid point 46 (38/294) ======================= q-point: (-0.25 0.25 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( -8.359 1.807 0.914) 8.601 2.594 ( -0.003 -1.977 -4.643) 5.046 2.683 ( -10.981 -7.839 -3.014) 13.824 3.246 ( 6.222 11.132 2.719) 13.039 3.603 ( 2.482 -0.371 4.514) 5.165 4.284 ( -0.660 -6.857 -2.407) 7.297 4.442 ( -4.914 5.366 1.269) 7.386 4.736 ( -5.103 -3.165 6.477) 8.833 5.859 ( 15.580 1.177 -3.267) 15.962 6.757 ( -39.060 -0.399 -1.560) 39.093 8.086 ( 5.328 -3.178 -4.921) 7.918 8.403 ( 9.118 8.385 1.511) 12.479 8.798 ( -5.369 -2.830 -0.617) 6.101 9.590 ( 9.628 1.110 1.237) 9.771 9.921 ( 3.218 0.158 2.852) 4.303 10.253 ( 6.835 0.693 -1.401) 7.012 10.417 ( -4.729 -2.574 1.572) 5.609 11.283 ( -7.151 -1.393 -0.671) 7.316 12.391 ( 1.843 -0.036 3.118) 3.622 13.683 ( -3.361 -1.163 -1.062) 3.712 14.103 ( 5.520 0.561 -2.458) 6.068 14.570 ( -0.566 -2.418 3.159) 4.018 15.006 ( -25.298 3.903 -3.398) 25.822 16.316 ( 2.867 -0.501 3.693) 4.702 16.533 ( 0.706 1.449 -2.123) 2.666 17.937 ( 9.647 -6.915 -3.168) 12.285 18.573 ( 6.482 7.435 -1.626) 9.997 19.902 ( 0.417 -0.698 1.124) 1.387 20.075 ( 1.618 -0.016 -0.367) 1.659 20.172 ( -3.238 -1.141 2.839) 4.455 ======================= Grid point 47 (39/294) ======================= q-point: (-0.17 0.25 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.812 ( -15.084 5.923 1.913) 16.318 2.322 ( -16.613 -9.835 -6.542) 20.384 2.631 ( 6.024 -0.939 -1.759) 6.345 3.425 ( 9.187 -4.273 -1.497) 10.242 3.658 ( -5.406 13.371 7.103) 16.076 4.168 ( -4.579 -6.535 3.547) 8.732 4.491 ( 5.107 -0.176 -0.008) 5.110 4.719 ( -3.321 3.244 7.976) 9.229 6.034 ( 3.490 1.254 -5.923) 6.988 6.135 ( -31.249 2.055 -0.595) 31.322 8.116 ( 2.612 0.507 -5.265) 5.899 8.419 ( -8.892 0.779 2.789) 9.351 8.872 ( 12.829 -0.849 -0.499) 12.867 9.747 ( 6.525 2.674 0.160) 7.053 10.004 ( 6.622 -5.050 3.404) 8.997 10.238 ( -5.934 -3.336 -2.146) 7.137 10.428 ( 7.019 2.424 -0.863) 7.476 11.134 ( -10.385 0.405 2.507) 10.691 12.463 ( 1.541 4.079 5.556) 7.062 13.567 ( -5.893 -8.216 -1.658) 10.246 14.131 ( -1.372 0.275 -6.567) 6.714 14.612 ( 0.124 1.254 3.622) 3.835 14.687 ( -10.448 6.507 -3.465) 12.787 16.227 ( -10.338 -1.144 5.480) 11.756 16.669 ( 11.270 -0.790 -1.414) 11.386 17.968 ( 9.509 -10.845 -10.007) 17.555 18.751 ( 4.208 11.351 0.762) 12.130 19.915 ( 0.411 0.457 1.323) 1.459 20.096 ( 1.309 0.112 -0.911) 1.599 20.128 ( -2.652 -2.828 5.007) 6.333 ======================= Grid point 48 (40/294) ======================= q-point: (-0.08 0.25 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( -20.643 6.410 7.470) 22.870 1.939 ( -17.702 0.809 -7.027) 19.063 2.739 ( 8.742 -1.034 -2.200) 9.073 3.429 ( 2.815 -11.884 0.489) 12.223 3.781 ( -6.385 19.727 3.584) 21.042 4.044 ( -7.041 -4.182 8.494) 11.799 4.522 ( 2.785 -7.969 -3.270) 9.053 4.767 ( -1.160 4.895 7.683) 9.184 5.665 ( -22.993 8.009 0.923) 24.366 6.126 ( 3.801 -0.425 -4.510) 5.913 8.106 ( -1.838 3.024 -5.615) 6.637 8.311 ( -6.696 0.793 4.409) 8.056 9.072 ( 13.655 -3.437 0.902) 14.110 9.801 ( -2.601 -2.968 -1.323) 4.162 10.017 ( -0.020 -1.629 -1.797) 2.425 10.178 ( 2.826 0.874 -1.808) 3.467 10.577 ( 11.689 -3.236 -0.682) 12.148 11.005 ( -10.168 3.544 5.917) 12.286 12.567 ( 0.238 5.443 7.094) 8.945 13.322 ( -9.652 -10.103 -3.523) 14.409 13.976 ( -17.645 12.895 -9.838) 23.967 14.563 ( -0.371 -1.533 2.480) 2.939 14.830 ( 14.317 -1.559 1.279) 14.458 16.085 ( -9.474 -0.380 5.388) 10.906 16.813 ( 8.387 -2.121 0.406) 8.660 17.956 ( 9.096 -7.870 -14.549) 18.877 18.911 ( 2.392 9.439 0.994) 9.788 19.937 ( 0.246 1.572 0.885) 1.820 20.081 ( -2.659 -4.456 5.582) 7.621 20.111 ( 1.122 -0.562 -0.445) 1.331 ======================= Grid point 50 (41/294) ======================= q-point: ( 0.08 0.33 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( -8.494 9.411 19.301) 23.092 2.169 ( -0.084 23.263 -1.770) 23.330 2.769 ( -0.058 -0.348 -0.439) 0.563 3.187 ( 6.310 -8.854 -0.106) 10.873 3.840 ( -8.802 -6.450 1.399) 11.002 4.129 ( -24.767 8.365 -1.827) 26.205 4.263 ( 13.133 -0.564 -1.086) 13.189 4.806 ( -1.385 -7.163 2.318) 7.655 5.879 ( -15.626 19.341 8.516) 26.283 6.127 ( 6.300 -0.780 -1.395) 6.499 8.134 ( -1.741 5.261 -3.443) 6.524 8.376 ( -3.011 2.480 5.990) 7.148 9.125 ( 11.619 -11.561 1.755) 16.484 9.606 ( -2.529 4.079 -2.494) 5.408 10.000 ( 3.783 -3.283 -4.249) 6.569 10.132 ( -2.559 0.295 -3.635) 4.455 10.583 ( 9.807 -8.057 0.958) 12.728 11.071 ( -10.166 5.060 0.566) 11.370 12.430 ( -9.662 -6.936 -0.734) 11.916 13.402 ( 6.339 14.507 -3.887) 16.301 14.092 ( -13.083 19.654 2.850) 23.782 14.439 ( -1.669 -4.148 1.062) 4.595 14.982 ( 9.770 -9.636 11.689) 18.026 16.058 ( -6.940 4.092 1.298) 8.160 16.891 ( 6.119 -4.039 5.021) 8.886 17.797 ( 13.059 1.171 -17.723) 22.046 18.991 ( -3.591 -5.322 -1.195) 6.530 19.896 ( -3.401 -3.246 -1.238) 4.861 20.048 ( 0.041 0.922 4.099) 4.201 20.108 ( 1.092 -0.104 -0.385) 1.162 ======================= Grid point 51 (42/294) ======================= q-point: ( 0.17 0.33 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.922 ( -0.641 11.430 19.619) 22.715 2.379 ( -2.483 19.367 5.739) 20.352 2.725 ( -2.886 -2.919 -0.306) 4.116 3.233 ( 4.281 0.567 -3.965) 5.863 3.665 ( -0.818 -12.635 -2.050) 12.826 3.812 ( -23.046 15.923 -0.329) 28.014 4.479 ( 13.803 0.403 -0.448) 13.816 4.720 ( 0.146 -11.493 0.244) 11.496 5.856 ( -14.385 17.836 7.527) 24.119 6.224 ( 4.542 1.024 1.910) 5.032 8.130 ( -2.512 4.953 -3.045) 6.333 8.393 ( -2.120 2.616 5.567) 6.506 9.139 ( 4.123 -12.563 0.509) 13.232 9.694 ( 7.205 5.235 -1.429) 9.020 9.925 ( -7.248 2.057 -4.493) 8.773 10.117 ( 4.790 -4.156 -2.126) 6.689 10.645 ( 7.165 -10.260 0.792) 12.539 10.932 ( -11.345 4.740 -2.264) 12.502 12.279 ( -2.043 -1.232 -2.390) 3.377 13.538 ( -4.292 9.211 -0.304) 10.167 14.169 ( -6.340 26.894 6.561) 28.400 14.446 ( 5.131 -0.203 -1.827) 5.450 15.077 ( 6.410 -12.079 11.960) 18.166 16.024 ( -3.771 5.629 2.785) 7.325 16.954 ( 2.895 -3.823 4.716) 6.725 17.911 ( 10.844 1.175 -18.670) 21.623 18.792 ( -8.856 -13.638 -1.181) 16.304 19.834 ( -0.627 0.009 -2.338) 2.421 20.071 ( 0.123 -0.629 1.878) 1.984 20.138 ( 1.558 1.256 2.492) 3.196 ======================= Grid point 52 (43/294) ======================= q-point: ( 0.25 0.33 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.147 ( 1.007 12.112 16.631) 20.599 2.473 ( -9.333 11.240 13.361) 19.798 2.636 ( -2.549 -2.581 -4.077) 5.457 3.186 ( -4.394 -2.160 -8.719) 10.000 3.659 ( 12.843 -5.630 -3.707) 14.505 3.705 ( -8.360 10.569 1.032) 13.515 4.579 ( -0.742 -12.306 -0.786) 12.354 4.752 ( 13.520 6.280 2.793) 15.167 5.836 ( -12.543 18.306 4.728) 22.689 6.285 ( -0.517 0.510 3.229) 3.309 8.115 ( -3.159 5.410 -2.109) 6.611 8.412 ( -1.623 2.144 3.881) 4.722 9.063 ( 0.979 -12.157 0.512) 12.207 9.810 ( -2.656 3.295 -1.437) 4.470 9.828 ( 3.688 -2.576 -4.437) 6.319 10.196 ( 8.067 -0.388 -0.510) 8.093 10.635 ( 4.052 -10.282 0.122) 11.052 10.787 ( -10.766 6.326 -2.249) 12.688 12.314 ( 6.385 2.489 -2.181) 7.192 13.469 ( -11.355 5.929 2.147) 12.988 14.351 ( -5.044 19.394 4.783) 20.602 14.601 ( 9.520 6.841 0.815) 11.751 15.115 ( 2.300 -4.526 6.840) 8.519 16.082 ( 1.739 4.758 7.093) 8.717 16.969 ( 0.269 -4.271 5.107) 6.663 17.930 ( 3.214 0.398 -21.074) 21.321 18.480 ( -9.452 -17.013 0.965) 19.486 19.842 ( 1.947 1.304 -2.499) 3.426 20.062 ( -0.179 -1.753 -0.148) 1.768 20.205 ( 2.683 1.221 3.770) 4.786 ======================= Grid point 53 (44/294) ======================= q-point: ( 0.33 0.33 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.313 ( -3.976 9.309 13.021) 16.493 2.505 ( -6.216 13.641 2.577) 15.210 2.581 ( -0.085 0.014 2.078) 2.079 3.059 ( 0.214 -8.570 -2.737) 8.999 3.681 ( -1.964 -0.156 -0.354) 2.002 3.807 ( 12.571 -3.802 -7.536) 15.142 4.441 ( -1.061 -11.077 -1.185) 11.190 5.080 ( 11.315 9.030 6.779) 15.986 5.892 ( -4.993 24.912 1.539) 25.454 6.232 ( -7.451 -2.044 2.668) 8.174 8.120 ( -2.540 6.735 -0.264) 7.203 8.415 ( -0.459 -1.429 1.632) 2.218 8.963 ( -0.800 -9.672 1.421) 9.808 9.767 ( -1.849 -0.470 -2.153) 2.876 9.861 ( 4.679 -2.265 -1.260) 5.350 10.268 ( 3.231 -7.201 -1.752) 8.085 10.599 ( -1.163 -2.958 -5.337) 6.211 10.740 ( 0.000 8.231 3.219) 8.838 12.467 ( 8.876 2.063 -0.146) 9.114 13.354 ( -7.018 3.462 -1.275) 7.928 14.446 ( -6.942 18.057 4.167) 19.789 14.781 ( 5.120 -2.681 8.859) 10.578 15.158 ( -2.851 9.928 -0.024) 10.330 16.253 ( 8.232 4.780 8.943) 13.061 16.930 ( -3.247 -7.150 7.446) 10.821 17.783 ( -5.252 1.391 -23.945) 24.554 18.242 ( -1.957 -15.791 2.935) 16.180 19.879 ( 2.325 1.224 -1.748) 3.155 20.033 ( -0.631 -2.252 -1.063) 2.569 20.277 ( 2.815 0.195 2.551) 3.804 ======================= Grid point 54 (45/294) ======================= q-point: ( 0.42 0.33 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.375 ( -2.444 7.997 0.361) 8.370 2.546 ( -0.511 5.820 8.234) 10.096 2.627 ( -5.197 9.332 -0.029) 10.681 3.032 ( 7.319 -8.871 2.287) 11.725 3.623 ( 0.331 -7.857 -0.899) 7.915 3.906 ( 8.425 -2.076 -8.238) 11.964 4.348 ( 2.652 -8.302 -1.176) 8.794 5.262 ( -1.114 4.798 5.923) 7.703 6.028 ( -10.465 -7.307 -1.014) 12.803 6.238 ( 8.988 33.626 3.439) 34.976 8.125 ( -4.586 3.830 1.425) 6.143 8.406 ( 3.098 -5.679 1.026) 6.550 8.888 ( -1.422 -3.273 1.805) 3.999 9.690 ( -2.537 -6.199 -1.959) 6.979 9.945 ( 5.083 2.073 0.663) 5.530 10.185 ( 0.387 -10.038 -1.531) 10.162 10.490 ( -7.510 2.806 -5.961) 9.990 10.920 ( 9.547 5.226 1.817) 11.034 12.566 ( 1.276 -2.449 1.677) 3.231 13.352 ( 5.914 3.744 -4.335) 8.233 14.503 ( -9.276 15.408 3.283) 18.282 14.833 ( 0.265 -5.093 11.514) 12.592 15.188 ( -6.698 13.656 0.390) 15.215 16.485 ( 5.874 3.005 5.895) 8.848 16.825 ( -3.330 -7.782 8.872) 12.262 17.606 ( -3.639 5.415 -19.990) 21.028 18.121 ( 2.194 -14.070 0.896) 14.268 19.918 ( 2.008 1.042 -0.818) 2.405 19.990 ( -0.885 -2.548 -1.589) 3.130 20.322 ( 1.629 -0.607 1.038) 2.025 ======================= Grid point 55 (46/294) ======================= q-point: ( 0.50 0.33 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.376 ( -6.022 4.661 -0.027) 7.615 2.587 ( -4.529 6.426 -0.838) 7.907 2.699 ( 4.724 6.535 7.532) 11.034 3.108 ( 6.945 -4.533 -0.705) 8.323 3.539 ( 0.769 -11.455 -1.214) 11.545 3.957 ( 5.421 -0.884 -5.888) 8.052 4.401 ( 11.187 -2.210 -0.304) 11.408 5.260 ( -6.884 5.188 3.954) 9.483 5.724 ( -14.825 -10.214 -1.535) 18.068 6.793 ( 17.735 29.952 2.231) 34.880 8.056 ( -5.750 -0.578 1.207) 5.904 8.384 ( 0.424 -11.108 3.319) 11.601 8.907 ( 1.942 6.186 0.578) 6.509 9.549 ( -4.789 -8.694 -1.836) 10.094 9.991 ( -1.515 -1.954 0.850) 2.615 10.176 ( 7.654 -2.629 0.049) 8.093 10.350 ( -8.783 3.111 -5.559) 10.850 11.121 ( 9.889 1.881 -0.055) 10.066 12.496 ( -4.004 -6.019 0.705) 7.264 13.541 ( 12.770 5.004 -3.464) 14.146 14.426 ( -14.729 8.151 -0.511) 16.841 14.846 ( -2.271 -5.841 15.326) 16.558 15.255 ( -1.417 17.846 -0.686) 17.915 16.398 ( -9.787 -11.340 1.854) 15.093 16.900 ( 3.627 5.492 4.496) 7.971 17.561 ( 0.756 6.079 -7.613) 9.772 18.058 ( 5.688 -10.900 -2.658) 12.579 19.940 ( -0.843 -2.110 -0.695) 2.376 19.958 ( 1.840 0.368 -1.096) 2.173 20.330 ( 0.005 -0.948 0.050) 0.950 ======================= Grid point 56 (47/294) ======================= q-point: ( 0.58 0.33 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.263 ( -9.601 0.930 0.969) 9.695 2.641 ( 2.013 7.914 -0.990) 8.226 2.850 ( 2.335 2.657 5.077) 6.188 3.144 ( 1.810 0.696 -2.478) 3.146 3.418 ( 0.447 -12.677 -1.530) 12.777 4.028 ( 6.967 -0.560 -2.918) 7.574 4.651 ( 16.363 4.770 0.376) 17.048 5.199 ( -6.856 0.644 2.672) 7.387 5.363 ( -15.884 -8.258 -1.692) 17.982 7.346 ( 18.686 21.388 0.099) 28.401 7.972 ( -4.519 -0.223 1.726) 4.843 8.226 ( -8.289 -11.509 2.336) 14.374 9.055 ( 5.791 9.133 0.476) 10.825 9.361 ( -6.159 -9.813 -1.411) 11.671 9.938 ( -2.276 -2.109 1.101) 3.292 10.210 ( -6.538 4.125 -5.620) 9.558 10.311 ( 7.703 -2.117 2.403) 8.343 11.265 ( 7.460 -1.100 -0.882) 7.592 12.382 ( -2.436 -5.767 -0.114) 6.262 13.762 ( 9.266 4.864 -2.298) 10.714 14.214 ( -16.048 4.307 -2.018) 16.738 14.803 ( -4.709 -7.523 12.842) 15.610 15.472 ( 6.112 19.255 -1.272) 20.242 16.107 ( -11.142 -12.794 -0.835) 16.986 16.952 ( -5.412 5.697 -0.484) 7.873 17.624 ( 4.147 -1.776 2.799) 5.309 18.104 ( 9.891 -0.819 -4.204) 10.778 19.902 ( -0.282 -2.318 -0.755) 2.454 19.991 ( 1.723 0.653 -0.183) 1.852 20.308 ( -1.386 -1.106 -0.290) 1.797 ======================= Grid point 57 (48/294) ======================= q-point: (-0.33 0.33 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.140 ( -6.467 0.995 0.711) 6.581 2.704 ( -2.919 4.258 -3.828) 6.427 2.858 ( -0.725 -4.714 1.762) 5.084 3.170 ( -1.508 4.510 -0.546) 4.787 3.386 ( 7.868 -4.530 2.689) 9.469 4.122 ( 6.765 -1.021 -1.986) 7.124 4.840 ( -7.436 -6.424 -0.489) 9.839 5.009 ( -7.036 4.310 2.652) 8.667 5.267 ( 9.686 1.177 -1.007) 9.809 7.733 ( 7.185 8.115 -2.845) 11.206 7.839 ( -12.981 -10.601 4.511) 17.356 8.077 ( 2.569 8.628 -2.055) 9.234 9.133 ( -10.100 -3.114 0.308) 10.574 9.263 ( 9.516 0.814 -0.219) 9.554 9.897 ( -1.503 -0.807 0.705) 1.846 10.155 ( -1.059 2.237 -1.979) 3.169 10.410 ( 4.722 -1.765 1.853) 5.371 11.332 ( 3.667 -2.897 -0.373) 4.688 12.328 ( 1.016 -2.590 0.059) 2.783 13.852 ( -2.265 -1.376 0.357) 2.674 14.038 ( -5.979 6.094 -4.063) 9.455 14.708 ( -5.711 -5.199 6.273) 9.950 15.682 ( -11.080 12.567 -1.345) 16.808 15.881 ( 8.730 -7.807 -2.290) 11.933 16.854 ( -10.998 3.290 0.765) 11.505 17.661 ( 6.654 -10.529 0.543) 12.467 18.304 ( 10.067 9.209 -0.404) 13.649 19.883 ( 0.569 -1.701 0.065) 1.795 20.022 ( 1.550 0.474 -0.062) 1.623 20.265 ( -2.213 -1.406 0.046) 2.622 ======================= Grid point 58 (49/294) ======================= q-point: (-0.25 0.33 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.082 ( -4.082 3.311 0.480) 5.278 2.596 ( -5.903 -1.177 -4.441) 7.480 2.756 ( -6.830 -6.868 -0.998) 9.737 3.191 ( 3.583 -2.869 0.245) 4.597 3.593 ( 9.768 9.012 5.522) 14.392 4.194 ( 3.769 -1.132 -1.137) 4.096 4.523 ( -9.627 -15.196 0.102) 17.989 4.985 ( -12.955 14.852 6.121) 20.637 5.547 ( 20.468 0.123 -4.526) 20.963 7.354 ( -33.219 -1.268 1.516) 33.278 7.886 ( 10.715 -5.834 -3.771) 12.769 8.320 ( 10.352 11.721 -1.137) 15.679 8.917 ( -10.803 -4.562 0.684) 11.746 9.438 ( 9.864 1.209 0.218) 9.941 9.890 ( 1.190 -1.065 0.651) 1.724 10.173 ( 2.182 -0.984 -0.082) 2.395 10.449 ( 0.404 0.277 0.566) 0.749 11.330 ( -0.780 -2.847 1.539) 3.329 12.369 ( 3.718 1.947 1.406) 4.427 13.725 ( -6.180 -6.188 1.560) 8.883 14.048 ( 0.954 4.052 -4.618) 6.217 14.605 ( -4.489 -2.102 0.463) 4.978 15.414 ( -20.806 4.114 -3.489) 21.494 16.119 ( 16.018 1.417 -1.290) 16.132 16.688 ( -12.419 0.424 3.623) 12.944 17.663 ( 8.567 -13.076 -3.893) 16.110 18.561 ( 7.791 12.484 1.862) 14.833 19.889 ( 1.165 -0.736 0.919) 1.657 20.049 ( 1.390 0.254 -0.208) 1.429 20.213 ( -2.422 -2.087 1.024) 3.358 ======================= Grid point 59 (50/294) ======================= q-point: (-0.17 0.33 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( -6.523 5.046 0.080) 8.247 2.466 ( -11.997 -3.969 -3.198) 13.035 2.558 ( -1.522 -3.383 -0.523) 3.746 3.219 ( 6.511 -8.837 -1.118) 11.033 3.858 ( 4.147 13.071 4.797) 14.528 4.156 ( -3.638 -5.981 1.121) 7.090 4.377 ( 4.348 -6.641 1.307) 8.045 4.954 ( -10.579 11.714 7.422) 17.442 5.810 ( 15.263 -0.429 -6.401) 16.557 6.785 ( -37.652 3.662 0.922) 37.841 7.993 ( 9.359 -2.187 -3.478) 10.221 8.523 ( 2.766 3.578 0.281) 4.531 8.750 ( -2.938 -1.942 0.457) 3.551 9.608 ( 10.383 -0.255 0.227) 10.389 9.907 ( 2.222 -3.668 0.709) 4.347 10.177 ( 2.484 -5.299 -1.587) 6.064 10.454 ( -1.915 4.664 -1.050) 5.150 11.281 ( -4.873 -0.797 4.462) 6.655 12.489 ( 4.362 5.885 3.556) 8.143 13.565 ( -5.533 -10.374 0.463) 11.766 14.071 ( 2.201 1.102 -4.337) 4.987 14.557 ( 1.061 0.341 -1.914) 2.215 15.102 ( -22.322 8.972 -3.481) 24.308 16.329 ( 6.527 -0.705 0.095) 6.565 16.539 ( -4.294 -2.137 4.791) 6.779 17.656 ( 9.063 -11.784 -7.862) 16.816 18.794 ( 5.221 11.859 1.676) 13.066 19.915 ( 1.249 0.460 1.462) 1.977 20.069 ( 1.267 -0.048 -0.496) 1.361 20.160 ( -2.279 -3.257 2.289) 4.587 ======================= Grid point 60 (51/294) ======================= q-point: (-0.08 0.33 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.972 ( -9.607 7.059 1.892) 12.071 2.151 ( -16.784 -2.339 -0.704) 16.961 2.618 ( 6.224 2.052 -0.907) 6.616 3.219 ( 6.307 -11.951 -1.315) 13.577 3.977 ( -1.758 6.779 3.439) 7.802 4.100 ( 0.847 -3.930 1.262) 4.214 4.428 ( 2.487 -1.179 1.358) 3.069 4.940 ( -7.838 6.922 8.066) 13.206 5.960 ( 8.873 -1.610 -6.270) 10.984 6.267 ( -33.458 11.164 2.190) 35.339 8.090 ( 4.913 1.339 -3.676) 6.281 8.464 ( -8.008 0.371 3.470) 8.735 8.831 ( 10.823 -3.034 0.158) 11.241 9.767 ( 8.058 0.072 -0.764) 8.095 9.865 ( 0.769 -9.637 -0.011) 9.667 10.171 ( 3.262 -0.968 -4.713) 5.813 10.466 ( -0.217 2.647 -0.958) 2.823 11.218 ( -7.328 2.486 6.298) 9.977 12.637 ( 2.381 6.156 5.466) 8.570 13.349 ( -7.349 -9.436 -3.204) 12.382 14.095 ( 1.913 1.790 -4.519) 5.224 14.633 ( 8.439 -1.049 -0.178) 8.506 14.826 ( -20.892 10.053 -0.041) 23.185 16.266 ( -9.198 -0.554 3.947) 10.025 16.628 ( 10.849 -3.812 2.616) 11.793 17.656 ( 9.343 -7.718 -11.876) 16.968 18.960 ( 2.520 8.509 0.439) 8.885 19.951 ( 0.840 1.668 1.425) 2.349 20.082 ( 0.831 -1.747 0.310) 1.959 20.103 ( -1.933 -3.447 2.155) 4.501 ======================= Grid point 62 (52/294) ======================= q-point: ( 0.08 0.42 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.071 ( -8.263 2.881 11.440) 14.403 2.269 ( 5.335 15.546 -2.362) 16.605 2.820 ( 0.649 6.362 0.913) 6.460 2.986 ( 6.616 -9.012 0.285) 11.184 3.864 ( -6.328 -9.257 -0.671) 11.233 4.062 ( 6.459 0.232 -2.310) 6.864 4.460 ( -5.237 1.738 -2.349) 5.997 4.948 ( -16.828 0.604 6.585) 18.080 5.940 ( 10.831 -5.680 -3.344) 12.679 6.436 ( -20.800 24.651 6.244) 32.852 8.138 ( 4.543 -0.312 -2.757) 5.324 8.476 ( -2.400 0.713 5.342) 5.899 8.863 ( 8.121 -5.910 0.732) 10.071 9.626 ( 0.462 -4.346 -1.775) 4.717 9.827 ( 5.214 -2.053 -0.917) 5.678 10.169 ( 3.046 2.081 -5.155) 6.339 10.453 ( -0.998 -2.245 1.622) 2.944 11.256 ( -7.466 3.776 -1.974) 8.596 12.526 ( -10.658 -7.945 0.201) 13.295 13.398 ( 7.390 13.872 -5.073) 16.516 14.170 ( 6.538 -1.372 3.530) 7.555 14.594 ( -3.060 -1.678 4.359) 5.584 14.976 ( -8.116 7.356 11.450) 15.846 16.193 ( -4.950 1.717 -1.034) 5.340 16.766 ( 8.226 -3.694 8.313) 12.264 17.504 ( 11.281 1.247 -17.249) 20.648 18.997 ( -4.050 -5.201 -1.667) 6.800 19.915 ( -3.299 -2.950 -1.029) 4.544 20.073 ( -0.098 0.309 1.470) 1.506 20.089 ( 1.733 1.419 0.744) 2.360 ======================= Grid point 63 (53/294) ======================= q-point: ( 0.17 0.42 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.100 ( -0.700 4.414 13.257) 13.990 2.488 ( 4.378 12.022 -2.279) 12.996 2.845 ( -5.902 5.545 3.937) 9.004 3.070 ( 11.789 -3.043 -0.675) 12.194 3.630 ( -9.226 -10.352 -3.479) 14.296 4.124 ( -2.592 0.482 -2.440) 3.592 4.408 ( 0.228 4.931 0.240) 4.942 4.715 ( -12.228 -2.038 3.153) 12.792 6.027 ( 7.900 -6.041 -3.203) 10.448 6.422 ( -15.474 25.309 8.936) 30.982 8.165 ( 0.658 1.498 -3.123) 3.526 8.485 ( -1.936 1.332 5.072) 5.590 8.929 ( 7.396 -9.114 1.202) 11.799 9.622 ( 4.080 -2.788 -1.403) 5.137 9.882 ( 4.811 -2.753 -0.463) 5.563 10.142 ( -5.422 4.846 -5.742) 9.265 10.462 ( 5.000 -6.531 1.863) 8.433 11.137 ( -9.566 4.692 -4.235) 11.466 12.319 ( -6.472 -3.482 -1.338) 7.470 13.612 ( 4.772 11.594 -2.718) 12.829 14.291 ( 7.721 -4.036 5.445) 10.274 14.566 ( -6.334 11.024 4.178) 13.383 15.020 ( -1.000 1.443 13.651) 13.764 16.143 ( -3.516 2.607 0.839) 4.457 16.884 ( 4.849 -3.681 8.253) 10.255 17.619 ( 12.797 2.535 -20.426) 24.236 18.805 ( -8.433 -11.796 -2.005) 14.638 19.844 ( -2.095 -0.501 -1.716) 2.754 20.067 ( -0.114 -1.080 -0.065) 1.088 20.146 ( 1.405 2.217 2.833) 3.862 ======================= Grid point 64 (54/294) ======================= q-point: ( 0.25 0.42 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.257 ( 4.925 5.448 11.008) 13.233 2.585 ( 0.512 3.652 -0.419) 3.711 2.793 ( -8.636 3.293 7.491) 11.897 3.254 ( 0.971 5.345 -4.766) 7.227 3.370 ( 2.189 -13.039 -4.513) 13.970 3.968 ( -13.222 2.989 -0.713) 13.575 4.473 ( -0.157 -8.369 -1.488) 8.501 4.684 ( 6.944 12.032 4.286) 14.537 6.043 ( 2.393 -3.161 -3.513) 5.297 6.480 ( -11.793 21.448 9.086) 26.109 8.166 ( -0.036 1.930 -2.808) 3.407 8.477 ( -2.650 -1.073 3.489) 4.511 8.940 ( 3.026 -7.388 1.276) 8.085 9.658 ( 6.225 -7.325 -1.413) 9.716 9.902 ( -2.003 1.039 -1.455) 2.685 10.112 ( 1.402 4.683 -2.330) 5.415 10.475 ( 4.249 -8.211 -0.146) 9.246 11.006 ( -9.753 6.291 -3.210) 12.041 12.259 ( 1.367 1.484 -1.774) 2.686 13.669 ( -6.563 3.177 1.143) 7.380 14.429 ( 9.697 -0.962 5.642) 11.260 14.652 ( -1.219 12.189 4.001) 12.886 15.122 ( 1.260 7.861 7.910) 11.223 16.143 ( -0.405 1.346 4.631) 4.840 16.949 ( 1.642 -3.387 8.338) 9.149 17.711 ( 9.468 2.263 -22.376) 24.401 18.499 ( -11.299 -15.868 -0.732) 19.494 19.824 ( 0.276 1.283 -1.811) 2.236 20.049 ( -0.361 -1.664 -0.476) 1.768 20.205 ( 1.503 1.680 3.159) 3.880 ======================= Grid point 65 (55/294) ======================= q-point: ( 0.33 0.42 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.432 ( 3.261 4.980 3.813) 7.069 2.607 ( -1.290 2.694 2.759) 4.066 2.737 ( -6.404 2.945 9.350) 11.710 3.041 ( -8.580 -5.588 -3.679) 10.880 3.498 ( 12.630 -4.538 -7.395) 15.323 3.807 ( -9.093 3.588 0.231) 9.779 4.342 ( -1.576 -10.573 -2.119) 10.898 5.023 ( 12.414 13.475 5.764) 19.207 6.036 ( 2.143 -0.407 -3.947) 4.510 6.509 ( -13.618 18.848 7.224) 24.349 8.183 ( 1.203 2.655 -1.359) 3.216 8.407 ( -3.183 -6.280 1.099) 7.126 8.921 ( -0.148 -2.869 1.797) 3.388 9.667 ( 5.319 -9.096 -0.787) 10.566 9.862 ( -2.755 3.924 -2.211) 5.280 10.175 ( 1.703 -1.997 -0.136) 2.628 10.475 ( 5.360 -4.646 -2.274) 7.449 10.917 ( -7.392 7.643 -0.814) 10.664 12.355 ( 7.397 3.868 -1.159) 8.427 13.512 ( -11.456 -2.402 0.283) 11.709 14.634 ( 7.044 3.720 10.441) 13.133 14.745 ( 0.120 4.432 3.374) 5.571 15.286 ( 0.995 16.714 -1.485) 16.810 16.219 ( 5.193 0.729 7.368) 9.044 16.962 ( -2.119 -5.327 10.679) 12.120 17.696 ( 1.649 3.493 -25.959) 26.245 18.185 ( -7.550 -16.540 3.138) 18.451 19.848 ( 1.810 1.687 -1.393) 2.839 20.019 ( -0.754 -2.069 -0.878) 2.371 20.259 ( 1.630 0.794 2.447) 3.046 ======================= Grid point 66 (56/294) ======================= q-point: ( 0.42 0.42 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.465 ( -2.739 6.279 -4.344) 8.112 2.627 ( -1.052 -0.358 5.593) 5.703 2.778 ( -0.404 4.953 6.175) 7.926 2.916 ( -0.626 -4.295 2.185) 4.859 3.515 ( 2.544 -8.300 -6.270) 10.709 3.788 ( 1.551 4.686 -1.181) 5.076 4.224 ( 0.704 -9.195 -2.309) 9.507 5.310 ( 5.332 7.384 4.893) 10.339 6.046 ( 0.543 -3.855 -2.492) 4.623 6.532 ( -7.487 23.419 3.887) 24.892 8.236 ( 0.046 4.225 0.971) 4.335 8.283 ( -0.923 -11.322 0.122) 11.360 8.907 ( -1.062 0.749 1.182) 1.757 9.644 ( 0.803 -6.706 -0.739) 6.794 9.892 ( 3.377 3.430 -0.330) 4.825 10.111 ( -2.208 -7.226 -0.314) 7.562 10.510 ( 1.989 -0.548 -4.428) 4.885 10.918 ( -0.563 6.444 1.259) 6.590 12.507 ( 5.926 1.844 0.208) 6.209 13.333 ( -4.726 -2.236 -1.870) 5.553 14.760 ( -5.175 10.852 -3.176) 12.435 14.827 ( 4.552 -4.131 17.589) 18.632 15.396 ( -3.539 14.337 -4.788) 15.524 16.411 ( 9.887 3.348 5.218) 11.671 16.880 ( -6.387 -9.165 11.169) 15.797 17.583 ( -1.810 5.717 -22.036) 22.838 18.001 ( -1.228 -13.085 3.660) 13.642 19.891 ( 2.102 1.548 -0.763) 2.720 19.977 ( -1.156 -2.297 -1.092) 2.794 20.297 ( 1.388 -0.100 1.121) 1.787 ======================= Grid point 67 (57/294) ======================= q-point: ( 0.50 0.42 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.483 ( -1.683 8.033 -2.859) 8.691 2.626 ( 0.900 -2.935 0.316) 3.086 2.808 ( -3.714 4.520 5.446) 7.992 2.958 ( 6.116 -2.077 2.131) 6.801 3.429 ( 0.038 -8.092 -2.626) 8.507 3.862 ( 3.592 2.771 -2.450) 5.156 4.203 ( 7.344 -4.794 -1.691) 8.932 5.388 ( -2.581 1.966 2.057) 3.842 5.885 ( -12.455 -5.036 -0.094) 13.434 6.807 ( 11.172 20.746 0.947) 23.582 8.135 ( -5.099 -4.458 -0.923) 6.836 8.297 ( 2.320 -4.262 4.996) 6.965 8.930 ( 1.306 4.154 -0.906) 4.448 9.551 ( -4.488 -5.065 -1.157) 6.866 10.008 ( -1.880 -1.829 1.065) 2.831 10.022 ( 7.783 -1.744 0.882) 8.025 10.456 ( -4.998 0.823 -5.348) 7.366 11.015 ( 5.611 2.300 1.140) 6.170 12.515 ( -3.598 -4.302 0.604) 5.641 13.368 ( 9.801 3.083 -2.377) 10.546 14.701 ( -10.146 9.468 -8.444) 16.244 14.905 ( -1.359 -7.864 19.106) 20.706 15.433 ( -2.732 12.878 -3.690) 13.672 16.453 ( -7.467 -9.644 2.597) 12.470 16.880 ( 6.903 5.731 2.030) 9.199 17.540 ( 1.071 1.295 -4.787) 5.073 17.918 ( 1.260 -5.578 -0.705) 5.762 19.923 ( -0.255 -1.618 -1.358) 2.128 19.939 ( 0.816 0.599 0.142) 1.022 20.313 ( 0.701 -0.757 -0.148) 1.043 ======================= Grid point 68 (58/294) ======================= q-point: (-0.42 -0.58 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.430 ( -8.820 -0.034 0.127) 8.821 2.659 ( 2.397 6.213 -3.338) 7.449 2.853 ( 2.544 0.665 3.377) 4.280 3.069 ( 7.169 1.343 1.213) 7.393 3.320 ( -2.712 -8.398 -1.712) 8.990 3.938 ( 4.323 2.467 -0.564) 5.009 4.364 ( 16.335 -1.209 -1.330) 16.434 5.280 ( -7.876 -9.157 -1.224) 12.140 5.643 ( -15.595 5.532 2.140) 16.685 7.186 ( 17.275 6.727 -1.173) 18.575 8.037 ( -3.519 0.879 -0.354) 3.645 8.283 ( -3.559 -3.040 5.805) 7.457 9.014 ( 5.161 3.256 -2.511) 6.599 9.409 ( -7.263 -2.390 -0.528) 7.665 9.951 ( -1.094 -3.059 1.528) 3.590 10.180 ( 8.211 0.807 1.853) 8.456 10.326 ( -7.631 0.940 -4.602) 8.961 11.131 ( 7.114 -1.291 0.576) 7.254 12.385 ( -4.764 -5.884 0.181) 7.572 13.603 ( 13.341 5.012 -2.100) 14.405 14.509 ( -16.236 6.143 -8.033) 19.128 14.866 ( -3.603 -9.083 12.840) 16.136 15.529 ( 2.966 9.339 -1.971) 9.995 16.191 ( -11.583 -8.387 -1.002) 14.336 17.036 ( 2.122 8.764 -6.418) 11.068 17.541 ( 1.020 -11.529 11.565) 16.362 17.980 ( 7.612 8.237 -3.634) 11.790 19.882 ( -0.666 -2.356 -0.742) 2.558 19.975 ( 1.389 1.302 0.304) 1.928 20.304 ( -0.241 -1.235 -0.961) 1.584 ======================= Grid point 70 (59/294) ======================= q-point: (-0.33 -0.58 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.272 ( -8.609 0.456 -1.688) 8.785 2.730 ( 2.991 1.079 -1.843) 3.676 2.875 ( -4.622 0.764 1.010) 4.792 3.189 ( -1.487 -7.128 -1.846) 7.512 3.245 ( 9.438 5.666 2.377) 11.262 4.041 ( 4.500 2.952 1.619) 5.620 4.636 ( 16.929 -6.531 -1.796) 18.234 5.010 ( -5.341 -10.666 -2.887) 12.273 5.512 ( -15.011 13.486 3.571) 20.493 7.422 ( 15.975 -12.292 -3.173) 20.405 8.038 ( -3.078 3.425 3.280) 5.653 8.212 ( -7.906 9.468 0.430) 12.342 9.080 ( 4.703 -7.233 -2.572) 9.003 9.307 ( -5.892 6.729 0.666) 8.968 9.919 ( -1.723 -1.281 0.669) 2.249 10.201 ( -3.805 -0.820 -1.054) 4.032 10.320 ( 5.784 1.123 1.147) 6.003 11.222 ( 6.145 -3.426 1.263) 7.148 12.295 ( -0.447 -3.143 0.053) 3.175 13.802 ( 6.602 1.436 -1.649) 6.954 14.249 ( -14.924 3.839 -5.172) 16.255 14.777 ( -4.809 -4.889 3.922) 7.900 15.640 ( 8.288 -6.485 -2.469) 10.809 15.969 ( -11.283 6.681 -2.483) 13.345 17.033 ( -5.645 5.550 -6.483) 10.232 17.485 ( 0.807 -15.475 11.335) 19.199 18.244 ( 11.143 13.738 0.494) 17.696 19.857 ( 0.409 -1.881 0.023) 1.925 20.009 ( 1.111 1.129 0.360) 1.625 20.273 ( -1.106 -1.734 -1.157) 2.360 ======================= Grid point 71 (60/294) ======================= q-point: (-0.25 -0.58 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.171 ( -4.016 3.165 -2.809) 5.834 2.712 ( -7.821 -7.734 -0.126) 11.000 2.749 ( -3.513 2.095 -1.163) 4.253 3.123 ( 0.476 -5.953 -0.877) 6.036 3.507 ( 12.264 9.008 2.053) 15.355 4.152 ( 3.878 3.319 3.501) 6.190 4.503 ( -8.075 -18.451 -0.787) 20.156 5.160 ( 21.915 1.190 -5.202) 22.555 5.418 ( -15.864 14.863 4.561) 22.212 7.462 ( 10.250 -21.321 -2.520) 23.790 7.909 ( -16.154 5.804 2.881) 17.405 8.308 ( 3.548 14.173 -3.840) 15.106 8.992 ( -3.494 -8.868 0.320) 9.537 9.357 ( 2.203 6.697 -0.305) 7.057 9.877 ( -1.231 -1.415 -0.827) 2.050 10.163 ( -1.238 -1.119 1.906) 2.533 10.415 ( 4.395 0.963 0.169) 4.503 11.283 ( 4.030 -3.742 3.432) 6.482 12.322 ( 4.526 1.741 0.341) 4.861 13.769 ( -5.696 -8.340 1.852) 10.268 14.106 ( -5.373 6.719 -5.859) 10.409 14.667 ( -5.422 -0.942 -2.840) 6.193 15.580 ( -0.966 -10.660 -5.875) 12.210 15.987 ( 1.606 11.508 -0.213) 11.621 16.907 ( -10.566 1.597 -1.887) 10.851 17.426 ( 3.193 -13.941 6.209) 15.592 18.556 ( 9.545 13.622 2.298) 16.791 19.862 ( 1.579 -0.926 0.800) 1.998 20.036 ( 0.840 0.857 0.250) 1.225 20.225 ( -1.631 -2.409 -0.730) 3.000 ======================= Grid point 72 (61/294) ======================= q-point: (-0.17 0.42 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.151 ( -2.694 4.471 -2.883) 5.963 2.515 ( -4.636 -4.967 -2.373) 7.197 2.666 ( -8.892 -1.287 2.690) 9.379 3.065 ( 1.412 -7.616 -1.567) 7.902 3.800 ( 12.202 7.322 -0.477) 14.238 4.220 ( -7.091 -13.361 0.794) 15.147 4.275 ( 3.929 4.431 5.845) 8.321 5.311 ( -12.074 8.864 3.518) 15.386 5.494 ( 16.843 3.662 -5.233) 18.013 7.272 ( -14.403 -10.676 0.761) 17.944 7.813 ( 0.730 2.451 -1.728) 3.087 8.472 ( 5.810 7.678 -3.806) 10.353 8.844 ( -6.944 -5.056 2.354) 8.906 9.468 ( 6.113 2.397 -0.345) 6.575 9.855 ( 0.944 -2.003 -0.845) 2.370 10.122 ( -1.975 -4.079 0.709) 4.587 10.486 ( 2.205 2.838 -0.924) 3.711 11.323 ( 1.197 -2.193 5.705) 6.228 12.466 ( 7.219 6.382 1.212) 9.712 13.572 ( -7.175 -12.160 3.272) 14.493 14.068 ( -2.306 3.901 -5.187) 6.888 14.569 ( -3.524 1.903 -6.000) 7.214 15.412 ( -9.259 0.064 -5.496) 10.767 16.149 ( 9.015 2.797 -0.101) 9.440 16.720 ( -11.946 -1.415 2.370) 12.261 17.399 ( 5.322 -10.731 0.613) 11.993 18.817 ( 6.499 11.290 1.953) 13.172 19.898 ( 2.225 0.401 1.349) 2.633 20.054 ( 0.581 0.450 0.033) 0.735 20.168 ( -1.834 -3.279 0.034) 3.757 ======================= Grid point 73 (62/294) ======================= q-point: (-0.08 0.42 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.090 ( -4.668 1.643 -3.065) 5.821 2.442 ( -12.311 0.590 2.148) 12.511 2.545 ( 2.606 2.147 1.647) 3.757 3.019 ( 3.976 -9.498 -2.009) 10.491 3.988 ( 6.135 1.699 -3.223) 7.135 4.046 ( -2.826 -7.878 2.346) 8.692 4.424 ( 3.468 5.884 5.363) 8.684 5.216 ( -11.545 6.946 5.736) 14.644 5.719 ( 12.986 -0.811 -6.572) 14.577 6.898 ( -26.981 5.661 2.006) 27.641 7.907 ( 11.130 -3.656 -2.142) 11.909 8.563 ( -0.213 1.541 -0.708) 1.709 8.738 ( -1.783 -0.613 1.405) 2.351 9.588 ( 8.120 -1.764 -0.005) 8.310 9.838 ( -1.081 -2.311 -0.739) 2.656 10.061 ( 1.593 -4.378 -1.953) 5.052 10.519 ( -0.985 3.251 -1.498) 3.712 11.341 ( -1.947 0.378 5.661) 5.998 12.658 ( 5.728 7.415 2.412) 9.676 13.357 ( -6.628 -10.744 0.447) 12.631 14.054 ( 0.672 1.229 -3.010) 3.319 14.541 ( 1.704 1.274 -3.502) 4.098 15.225 ( -14.837 6.654 -2.177) 16.406 16.296 ( 6.794 -1.372 -1.569) 7.107 16.561 ( -5.919 -2.377 6.214) 8.905 17.401 ( 6.585 -6.693 -5.259) 10.761 18.991 ( 3.121 7.163 0.652) 7.840 19.952 ( 2.063 1.784 1.524) 3.124 20.061 ( 0.116 -0.723 0.018) 0.732 20.107 ( -1.684 -3.509 0.394) 3.912 ======================= Grid point 76 (63/294) ======================= q-point: ( 0.08 0.50 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.153 ( 3.776 1.786 1.819) 4.556 2.379 ( -5.285 4.611 4.626) 8.402 2.739 ( 10.191 -1.608 -5.088) 11.504 2.912 ( 0.594 3.814 3.185) 5.004 3.895 ( -6.535 -5.831 2.010) 8.986 4.023 ( 2.253 6.654 -1.761) 7.243 4.463 ( -2.317 -4.455 -5.804) 7.674 5.274 ( -11.538 3.220 7.448) 14.106 5.670 ( 8.217 -8.902 -3.919) 12.733 6.976 ( -11.651 18.551 2.222) 22.019 7.915 ( 12.111 -7.354 -0.683) 14.185 8.530 ( -3.563 -3.616 4.790) 6.980 8.787 ( 2.926 3.407 -2.460) 5.120 9.535 ( 0.115 -5.045 -0.328) 5.057 9.813 ( -0.983 1.614 0.460) 1.945 10.069 ( 5.935 2.102 -1.580) 6.491 10.510 ( -3.481 -0.650 0.768) 3.623 11.352 ( -3.185 1.661 -4.255) 5.568 12.615 ( -9.138 -8.178 -0.025) 12.263 13.374 ( 7.299 12.439 -4.047) 14.980 14.078 ( 3.803 -2.271 3.292) 5.519 14.555 ( 3.045 -4.549 6.889) 8.799 15.280 ( -6.046 6.929 6.041) 11.003 16.218 ( -2.177 -2.524 -2.681) 4.277 16.674 ( 7.468 0.923 5.506) 9.324 17.321 ( 2.880 3.409 -8.800) 9.867 19.001 ( -3.767 -5.949 -1.266) 7.154 19.936 ( -2.980 -2.247 -1.136) 3.901 20.065 ( 0.476 -0.195 -0.531) 0.739 20.098 ( 1.445 3.090 1.404) 3.689 ======================= Grid point 77 (64/294) ======================= q-point: ( 0.17 0.50 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.175 ( -0.438 -2.243 7.037) 7.399 2.515 ( 5.336 12.281 -0.981) 13.426 2.833 ( 9.674 -4.553 -1.572) 10.807 2.986 ( -1.086 5.851 3.014) 6.671 3.686 ( -10.227 -8.891 -0.530) 13.561 4.143 ( 1.616 10.230 -1.617) 10.483 4.367 ( 1.604 -4.128 -4.950) 6.642 5.064 ( -20.936 2.286 7.573) 22.381 5.735 ( 13.480 -11.884 -4.292) 18.476 6.978 ( -15.778 25.451 4.670) 30.307 8.050 ( 11.357 -5.151 -2.836) 12.789 8.474 ( 0.312 -8.514 5.710) 10.256 8.852 ( 1.017 5.199 -0.609) 5.332 9.493 ( 2.700 -7.332 -0.837) 7.858 9.834 ( 1.332 1.550 1.034) 2.290 10.161 ( 3.402 2.360 -3.847) 5.652 10.436 ( -4.220 -1.765 1.399) 4.784 11.272 ( -5.787 3.296 -5.717) 8.778 12.396 ( -8.323 -5.363 -0.543) 9.916 13.600 ( 7.710 12.652 -3.989) 15.344 14.155 ( 6.403 -5.487 6.066) 10.387 14.621 ( 3.958 -2.530 7.786) 9.094 15.284 ( -8.901 11.568 9.242) 17.276 16.154 ( 0.257 -4.828 -1.524) 5.070 16.840 ( 6.047 0.332 9.507) 11.272 17.373 ( 6.913 6.054 -16.839) 19.183 18.818 ( -7.652 -11.090 -2.141) 13.643 19.869 ( -2.552 -0.508 -1.336) 2.926 20.057 ( -0.155 -0.935 -0.445) 1.047 20.161 ( 1.482 2.895 1.752) 3.694 ======================= Grid point 78 (65/294) ======================= q-point: ( 0.25 0.50 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.239 ( 5.259 -0.366 6.552) 8.409 2.636 ( -1.036 7.230 -0.524) 7.322 2.964 ( 2.209 -3.799 2.847) 5.237 3.033 ( 7.016 5.212 -0.940) 8.791 3.420 ( -10.790 -8.704 -2.238) 14.043 4.129 ( -5.622 0.015 -4.162) 6.995 4.449 ( 1.478 6.527 0.474) 6.709 4.824 ( -11.004 5.167 5.690) 13.423 5.809 ( 12.156 -12.269 -4.067) 17.744 6.991 ( -15.679 25.063 5.864) 30.139 8.123 ( 3.766 -1.480 -3.790) 5.544 8.438 ( 3.334 -12.023 3.337) 12.915 8.910 ( -0.570 5.543 1.803) 5.856 9.476 ( 5.180 -9.099 -0.994) 10.517 9.892 ( 2.690 1.364 1.023) 3.185 10.170 ( -1.679 4.014 -4.119) 5.991 10.375 ( -0.649 -4.329 0.727) 4.437 11.174 ( -7.146 4.628 -4.083) 9.443 12.272 ( -2.776 -0.225 -0.771) 2.890 13.760 ( 0.252 5.340 -0.132) 5.347 14.262 ( 10.256 -4.670 5.900) 12.720 14.714 ( 3.488 1.487 4.714) 6.050 15.332 ( -6.069 15.615 7.168) 18.222 16.123 ( 2.756 -6.872 1.560) 7.566 16.965 ( 1.959 -0.551 12.386) 12.552 17.462 ( 9.076 7.135 -21.819) 24.685 18.532 ( -10.938 -14.509 -1.808) 18.260 19.835 ( -1.108 1.092 -1.102) 1.907 20.038 ( -0.494 -1.375 -0.554) 1.563 20.217 ( 1.210 2.183 2.143) 3.289 ======================= Grid point 79 (66/294) ======================= q-point: ( 0.33 0.50 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.389 ( 7.688 1.938 3.090) 8.510 2.662 ( -1.307 2.793 2.611) 4.041 2.897 ( -6.482 -1.948 3.732) 7.729 3.125 ( -7.227 -4.423 -3.348) 9.110 3.258 ( 7.677 -0.422 -2.469) 8.075 3.991 ( -8.075 -0.096 -2.021) 8.324 4.346 ( -10.736 -2.453 0.645) 11.032 4.999 ( 10.233 14.498 4.505) 18.308 5.856 ( 9.808 -10.257 -3.927) 14.725 6.983 ( -15.922 20.100 5.071) 26.139 8.125 ( 2.397 -4.086 -1.531) 4.979 8.380 ( 0.607 -7.647 -1.601) 7.836 8.950 ( -1.948 3.757 3.086) 5.237 9.482 ( 6.427 -8.302 -0.476) 10.510 9.920 ( -1.059 2.301 -1.762) 3.086 10.181 ( -1.660 2.692 0.202) 3.170 10.345 ( 3.811 -4.447 -0.700) 5.898 11.086 ( -7.087 4.811 -1.890) 8.772 12.295 ( 3.724 3.900 -0.741) 5.443 13.672 ( -10.843 -3.620 1.386) 11.515 14.488 ( 14.854 -2.309 9.086) 17.565 14.802 ( 2.008 5.542 -1.225) 6.021 15.444 ( -2.105 14.906 1.353) 15.114 16.148 ( 6.093 -4.893 4.400) 8.968 17.027 ( -1.719 -3.405 14.565) 15.056 17.535 ( 6.060 8.728 -24.968) 27.135 18.200 ( -10.884 -15.651 1.148) 19.098 19.841 ( 0.536 1.906 -0.561) 2.058 20.010 ( -0.855 -1.691 -0.692) 2.017 20.263 ( 0.839 1.420 1.991) 2.585 ======================= Grid point 80 (67/294) ======================= q-point: ( 0.42 0.50 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.513 ( 2.658 4.810 -2.139) 5.897 2.649 ( -3.090 -6.223 4.232) 8.135 2.821 ( -0.848 0.153 3.480) 3.585 2.972 ( -5.457 0.924 -0.986) 5.622 3.359 ( 5.363 -1.470 -3.421) 6.529 3.879 ( -5.194 1.761 0.206) 5.488 4.175 ( -5.881 -4.116 -0.339) 7.186 5.303 ( 7.721 9.603 3.388) 12.779 5.913 ( 8.761 -5.173 -2.957) 10.595 6.898 ( -14.209 10.526 2.759) 17.897 8.125 ( 3.932 -6.568 1.158) 7.742 8.315 ( -1.893 0.346 -4.027) 4.463 8.948 ( -2.237 0.524 2.350) 3.287 9.528 ( 5.989 -4.105 0.413) 7.272 9.918 ( -1.338 4.829 -1.914) 5.364 10.107 ( -4.391 -4.598 -0.369) 6.369 10.424 ( 5.893 -0.209 0.791) 5.949 11.017 ( -4.986 3.280 -0.723) 6.012 12.430 ( 6.771 4.875 -0.394) 8.353 13.432 ( -11.787 -5.164 0.554) 12.881 14.727 ( 9.781 -7.182 13.994) 18.523 14.879 ( 1.736 11.212 -8.564) 14.215 15.512 ( -1.513 5.547 -1.867) 6.045 16.302 ( 10.360 4.035 3.044) 11.527 16.978 ( -7.245 -9.010 12.640) 17.130 17.538 ( 0.490 9.603 -21.991) 24.001 17.954 ( -4.412 -11.807 5.024) 13.569 19.876 ( 1.466 2.053 0.043) 2.523 19.972 ( -1.235 -1.848 -0.712) 2.335 20.292 ( 0.404 0.684 1.189) 1.430 ======================= Grid point 81 (68/294) ======================= q-point: (-0.50 -0.50 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.559 ( -0.000 0.000 -0.000) 0.000 2.568 ( 0.000 -0.000 0.000) 0.000 2.848 ( -0.000 0.000 0.000) 0.000 2.937 ( 0.000 0.000 0.000) 0.000 3.377 ( 0.000 0.000 0.000) 0.000 3.853 ( 0.000 -0.000 0.000) 0.000 4.100 ( -0.000 0.000 0.000) 0.000 5.421 ( 0.000 0.000 0.000) 0.000 5.971 ( 0.000 0.000 0.000) 0.000 6.819 ( -0.000 0.000 0.000) 0.000 8.133 ( -0.000 0.000 0.000) 0.000 8.290 ( 0.000 0.000 0.000) 0.000 8.934 ( -0.000 0.000 0.000) 0.000 9.568 ( -0.000 0.000 0.000) 0.000 9.940 ( 0.000 0.000 0.000) 0.000 10.022 ( -0.000 -0.000 0.000) 0.000 10.480 ( 0.000 0.000 0.000) 0.000 10.987 ( -0.000 0.000 0.000) 0.000 12.528 ( -0.000 0.000 0.000) 0.000 13.291 ( 0.000 0.000 0.000) 0.000 14.801 ( 0.000 -0.000 0.000) 0.000 14.943 ( -0.000 0.000 -0.000) 0.000 15.510 ( 0.000 0.000 0.000) 0.000 16.479 ( -0.000 0.000 0.000) 0.000 16.846 ( 0.000 0.000 0.000) 0.000 17.521 ( -0.000 0.000 0.000) 0.000 17.884 ( 0.000 0.000 0.000) 0.000 19.913 ( -0.000 -0.000 0.000) 0.000 19.936 ( 0.000 0.000 0.000) 0.000 20.302 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 162 (69/294) ======================= q-point: ( 0.08 0.08 0.08) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 292 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.375 ( -0.000 0.000 22.513) 22.513 0.375 ( -0.000 0.000 22.513) 22.513 0.958 ( -0.000 0.000 56.896) 56.896 3.243 ( 0.000 -0.000 -2.793) 2.793 4.089 ( 0.000 -0.000 -8.841) 8.841 4.089 ( 0.000 -0.000 -8.841) 8.841 4.961 ( -0.000 0.000 4.640) 4.640 4.961 ( -0.000 0.000 4.640) 4.640 5.939 ( 0.000 -0.000 -1.347) 1.347 6.492 ( 0.000 -0.000 -4.109) 4.109 8.035 ( 0.000 0.000 -1.119) 1.119 8.035 ( 0.000 -0.000 -1.119) 1.119 9.352 ( -0.000 0.000 1.227) 1.227 9.352 ( -0.000 0.000 1.227) 1.227 9.734 ( -0.000 0.000 0.400) 0.400 9.734 ( -0.000 0.000 0.400) 0.400 10.922 ( -0.000 0.000 1.118) 1.118 11.762 ( 0.000 -0.000 -2.031) 2.031 12.392 ( 0.000 0.000 -0.644) 0.644 12.392 ( 0.000 -0.000 -0.644) 0.644 13.168 ( 0.000 0.000 0.602) 0.602 13.168 ( -0.000 0.000 0.602) 0.602 15.732 ( -0.000 0.000 3.874) 3.874 15.732 ( -0.000 0.000 3.874) 3.874 16.934 ( -0.000 0.000 0.223) 0.223 18.211 ( -0.000 0.000 0.441) 0.441 19.633 ( -0.000 0.000 1.267) 1.267 19.902 ( 0.000 -0.000 -1.081) 1.081 19.902 ( 0.000 -0.000 -1.081) 1.081 20.146 ( 0.000 -0.000 -0.165) 0.165 ======================= Grid point 163 (70/294) ======================= q-point: ( 0.17 0.08 0.08) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.709 ( 33.617 -3.788 8.113) 34.789 0.992 ( 14.075 9.238 28.923) 33.467 1.651 ( 34.738 29.246 34.525) 57.044 3.124 ( -6.710 -4.918 -4.808) 9.609 3.903 ( -8.663 0.925 -12.022) 14.847 4.124 ( -0.757 3.307 -4.889) 5.950 4.820 ( -6.586 -9.674 0.922) 11.740 5.137 ( 6.963 4.719 7.572) 11.318 5.638 ( -38.715 -20.699 27.617) 51.865 5.991 ( 5.015 1.952 -1.291) 5.534 7.981 ( 0.951 -3.475 -3.371) 4.934 8.139 ( 5.070 2.493 2.579) 6.211 9.324 ( 1.086 0.409 -1.888) 2.216 9.673 ( -3.882 1.229 -1.412) 4.310 9.753 ( 2.981 1.072 -0.530) 3.212 9.993 ( 23.187 13.967 -11.296) 29.332 10.883 ( -3.667 -2.214 1.274) 4.469 11.443 ( -18.383 -9.715 2.485) 20.940 12.423 ( -1.179 9.428 -0.800) 9.535 12.650 ( 22.033 3.896 1.178) 22.406 13.131 ( 2.693 -4.993 -2.695) 6.280 14.009 ( 39.573 28.019 -33.869) 59.146 15.648 ( -7.074 -8.661 5.246) 12.352 15.791 ( 0.501 5.304 5.168) 7.423 16.957 ( 1.629 0.790 0.657) 1.926 18.174 ( -3.005 -3.670 -4.406) 6.474 19.263 ( -14.232 -15.946 6.140) 22.238 19.906 ( -0.170 1.918 -1.098) 2.216 20.025 ( 0.947 6.477 3.780) 7.559 20.143 ( -0.248 -0.089 -0.223) 0.345 ======================= Grid point 164 (71/294) ======================= q-point: ( 0.25 0.08 0.08) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( 31.782 -0.453 2.878) 31.916 1.400 ( 9.966 5.100 30.274) 32.278 2.736 ( 38.347 31.570 19.870) 53.498 2.931 ( -4.642 -5.451 -5.788) 9.207 3.680 ( -12.115 0.945 -8.495) 14.827 4.101 ( -4.006 6.260 -3.662) 8.285 4.596 ( -8.869 -10.058 -1.844) 13.536 5.194 ( -18.573 -8.507 15.647) 25.733 5.349 ( 10.115 2.846 6.304) 12.253 6.082 ( 4.764 0.040 -1.478) 4.989 7.970 ( 3.415 -2.096 -3.344) 5.219 8.254 ( 4.359 1.131 4.426) 6.314 9.375 ( 5.674 -0.646 -2.907) 6.408 9.562 ( -9.625 2.481 -0.564) 9.956 9.833 ( 5.645 1.528 -1.166) 5.964 10.273 ( 5.083 5.378 -5.054) 8.961 10.825 ( -0.180 -0.964 0.450) 1.078 11.087 ( -15.509 -8.148 2.166) 17.652 12.501 ( -2.410 13.360 0.816) 13.601 13.091 ( 16.099 -6.842 3.496) 17.839 13.160 ( 18.455 6.558 -7.621) 21.016 14.439 ( 10.919 13.302 -15.092) 22.889 15.429 ( -11.243 -11.502 6.771) 17.452 15.902 ( 2.075 7.319 5.451) 9.359 16.987 ( 0.289 -0.445 2.136) 2.201 17.990 ( -6.881 -8.569 -10.340) 15.089 19.038 ( -2.304 -9.284 -0.261) 9.569 19.920 ( 0.250 2.104 -1.156) 2.413 20.090 ( -2.313 5.007 5.098) 7.510 20.134 ( -1.018 0.414 0.399) 1.169 ======================= Grid point 165 (72/294) ======================= q-point: ( 0.33 0.08 0.08) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( 23.050 -1.795 0.726) 23.131 1.767 ( 10.047 6.352 23.372) 26.221 2.758 ( -2.628 -4.574 -5.094) 7.333 3.397 ( -11.908 3.189 1.383) 12.405 3.746 ( 29.711 17.236 8.305) 35.338 4.082 ( -2.754 7.280 -4.104) 8.800 4.351 ( -10.307 -3.585 -2.330) 11.158 4.980 ( -9.843 -0.671 6.679) 11.914 5.618 ( 16.979 1.997 6.781) 18.392 6.100 ( 0.121 -3.667 -2.056) 4.206 8.016 ( 5.489 -0.579 -2.412) 6.024 8.353 ( 3.995 1.075 4.057) 5.794 9.294 ( -9.505 -9.963 1.703) 13.874 9.550 ( 2.268 10.273 -4.734) 11.536 9.938 ( 5.945 0.951 -2.029) 6.353 10.213 ( -8.507 -1.835 -2.193) 8.974 10.715 ( -10.371 -7.761 -1.243) 13.013 11.005 ( 6.033 5.437 2.157) 8.403 12.600 ( -2.561 14.380 1.952) 14.736 13.119 ( 6.670 -7.333 -5.986) 11.580 13.689 ( 29.921 5.921 0.156) 30.502 14.547 ( -2.131 7.353 0.346) 7.663 15.180 ( -10.777 -11.183 9.476) 18.193 16.046 ( 2.952 8.090 4.615) 9.770 16.966 ( -3.277 -3.183 4.457) 6.382 17.706 ( -7.815 -9.531 -15.725) 19.980 18.970 ( 2.764 -4.953 -4.294) 7.114 19.940 ( 0.415 2.372 -1.157) 2.672 20.101 ( -0.898 0.145 0.053) 0.911 20.127 ( -3.764 3.324 4.924) 7.033 ======================= Grid point 166 (73/294) ======================= q-point: ( 0.42 0.08 0.08) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.960 ( 11.760 -5.229 -2.496) 13.110 2.107 ( 8.819 8.951 17.662) 21.676 2.708 ( 3.334 -5.100 -1.666) 6.317 3.188 ( -13.362 0.185 -0.321) 13.367 4.007 ( -3.887 5.897 -4.531) 8.391 4.091 ( -4.305 -4.965 1.345) 6.707 4.380 ( 7.896 7.176 0.205) 10.672 5.001 ( 3.604 10.292 6.982) 12.949 5.987 ( -5.877 -7.075 -2.749) 9.600 6.054 ( 27.040 7.872 5.473) 28.690 8.086 ( 3.830 -1.176 -1.327) 4.220 8.456 ( 4.374 2.034 2.696) 5.526 9.013 ( -13.560 -8.730 1.213) 16.173 9.655 ( 2.363 7.077 -3.120) 8.088 9.904 ( -8.485 -5.036 -0.662) 9.889 10.105 ( 0.343 -1.246 -3.680) 3.901 10.515 ( -5.189 -3.266 1.136) 6.236 11.186 ( 6.958 6.426 -1.354) 9.568 12.699 ( -2.286 11.805 2.268) 12.236 13.129 ( 6.452 -5.071 -7.237) 10.941 14.095 ( 12.119 -3.238 2.037) 12.709 14.630 ( 4.073 10.475 5.423) 12.479 15.010 ( -5.219 -8.244 14.164) 17.200 16.184 ( 2.354 6.727 1.894) 7.374 16.871 ( -6.622 -6.202 6.597) 11.218 17.417 ( -6.331 -5.984 -17.101) 19.192 18.966 ( 4.475 -2.844 -6.428) 8.332 19.963 ( 0.204 2.745 -1.049) 2.945 20.078 ( -0.576 -1.264 -1.294) 1.899 20.121 ( -3.895 2.485 5.172) 6.935 ======================= Grid point 167 (74/294) ======================= q-point: ( 0.50 0.08 0.08) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.040 ( 6.244 -3.811 -0.826) 7.362 2.398 ( 5.671 9.727 10.706) 15.537 2.681 ( 0.519 -8.701 -1.328) 8.817 2.986 ( -10.268 -0.477 0.749) 10.307 3.952 ( -1.258 -1.019 -4.057) 4.369 4.015 ( -4.397 3.492 0.819) 5.674 4.466 ( 2.078 1.924 -4.406) 5.238 5.254 ( 7.962 7.148 7.185) 12.888 5.771 ( -8.703 -7.108 -2.712) 11.560 6.642 ( 27.236 11.671 3.171) 29.800 8.026 ( -7.941 -6.440 -0.058) 10.225 8.544 ( 2.914 0.579 -0.301) 2.986 8.788 ( -5.371 -2.968 1.365) 6.287 9.653 ( -8.696 0.751 -0.885) 8.773 9.782 ( 2.398 -0.090 0.465) 2.444 10.032 ( -2.525 -4.575 -3.354) 6.209 10.515 ( 2.291 1.894 2.356) 3.793 11.307 ( 3.194 4.726 -4.400) 7.204 12.754 ( -1.774 4.748 0.285) 5.077 13.165 ( 4.950 0.533 -4.704) 6.849 14.100 ( -1.576 -6.318 2.744) 7.067 14.732 ( -7.738 0.211 13.135) 15.246 15.149 ( 14.252 2.815 8.633) 16.899 16.239 ( -0.856 2.573 -2.102) 3.431 16.717 ( -7.310 -7.832 2.593) 11.023 17.255 ( -0.797 1.828 -7.882) 8.130 18.981 ( 4.656 -1.855 -7.532) 9.047 19.984 ( -0.347 3.009 -0.912) 3.164 20.050 ( -0.437 -1.559 -0.915) 1.860 20.107 ( -2.659 0.803 3.770) 4.683 ======================= Grid point 168 (75/294) ======================= q-point: (-0.42 0.08 0.08) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( 2.645 0.757 2.945) 4.030 2.448 ( -7.388 -11.126 -0.827) 13.381 2.636 ( -1.557 9.790 1.547) 10.033 2.907 ( 1.776 -1.829 2.068) 3.283 3.921 ( 2.290 -3.561 -2.614) 4.976 4.016 ( 0.193 2.641 1.016) 2.836 4.481 ( -0.268 4.377 -5.932) 7.377 5.287 ( -8.062 -7.209 -2.185) 11.034 5.718 ( 6.177 4.167 5.005) 8.976 6.969 ( -3.445 -1.960 -1.160) 4.130 7.865 ( 1.619 0.823 2.104) 2.780 8.530 ( 0.749 -6.100 -4.499) 7.616 8.776 ( -1.861 3.820 3.121) 5.272 9.563 ( 0.312 0.166 -0.154) 0.385 9.833 ( -0.225 0.030 1.716) 1.730 9.990 ( 3.885 0.790 -1.045) 4.100 10.571 ( -0.237 0.546 3.447) 3.498 11.324 ( -1.115 1.851 -6.863) 7.195 12.733 ( -1.350 -1.546 -2.872) 3.530 13.239 ( 2.290 4.343 -0.095) 4.911 14.057 ( 1.113 -2.595 1.757) 3.326 14.659 ( -7.471 -1.647 13.405) 15.435 15.312 ( -2.833 -4.736 4.312) 7.004 16.263 ( 4.655 3.229 -0.492) 5.687 16.522 ( -6.330 -6.188 -6.284) 10.856 17.350 ( 6.439 7.987 4.769) 11.313 18.993 ( 3.933 -1.465 -8.233) 9.241 19.994 ( -0.869 1.993 -0.877) 2.344 20.028 ( -0.239 -0.953 -0.341) 1.040 20.095 ( -1.105 -0.221 2.462) 2.708 ======================= Grid point 169 (76/294) ======================= q-point: (-0.33 0.08 0.08) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.088 ( -11.394 -10.038 -0.697) 15.201 2.200 ( -6.058 1.088 4.442) 7.591 2.685 ( -2.318 6.800 -1.013) 7.255 3.013 ( 10.573 -1.263 0.919) 10.687 3.925 ( 3.858 -3.197 -3.153) 5.920 4.069 ( 2.830 1.082 0.925) 3.168 4.463 ( -3.129 3.298 -4.974) 6.739 5.023 ( -10.421 -7.525 -3.208) 13.248 5.934 ( 8.541 4.613 5.370) 11.094 6.527 ( -29.496 -15.141 -3.181) 33.308 8.092 ( 9.333 8.096 3.281) 12.784 8.429 ( -1.784 -6.811 -5.260) 8.788 8.796 ( 1.338 2.969 1.036) 3.417 9.677 ( 10.251 2.550 0.252) 10.566 9.810 ( -1.599 -0.393 2.001) 2.591 10.137 ( 8.057 5.560 1.418) 9.892 10.541 ( -4.843 -2.052 4.411) 6.865 11.230 ( -5.281 -1.556 -8.600) 10.211 12.664 ( -1.252 -3.851 -4.359) 5.950 13.299 ( -0.813 3.614 2.585) 4.517 14.113 ( 3.890 2.034 3.214) 5.440 14.645 ( -0.155 0.992 7.510) 7.577 15.033 ( -19.468 -13.633 2.610) 23.909 16.272 ( -6.635 -5.064 -2.763) 8.792 16.514 ( 11.140 6.337 -3.021) 13.167 17.612 ( 9.442 9.734 9.852) 16.762 18.985 ( 2.706 -1.461 -9.363) 9.855 19.985 ( -0.566 -0.043 -0.749) 0.939 20.016 ( -0.722 -0.298 -0.039) 0.782 20.097 ( 0.078 0.067 1.577) 1.580 ======================= Grid point 170 (77/294) ======================= q-point: (-0.25 0.08 0.08) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( -17.019 -15.221 -1.574) 22.886 2.135 ( -14.214 2.753 7.198) 16.169 2.720 ( 3.317 3.771 -1.575) 5.263 3.201 ( 12.690 -1.529 -0.060) 12.782 3.927 ( 1.678 -5.198 -6.003) 8.116 4.069 ( -9.213 4.895 -2.798) 10.801 4.407 ( 1.502 -3.902 1.602) 4.478 4.831 ( -5.651 -1.982 -0.806) 6.042 5.863 ( -24.767 -13.512 -3.418) 28.419 6.129 ( 3.335 2.297 3.399) 5.287 8.204 ( -3.030 1.982 5.076) 6.235 8.296 ( -3.571 -5.265 -5.676) 8.526 8.960 ( 12.341 6.881 -1.462) 14.206 9.743 ( -0.086 -6.132 2.057) 6.468 9.952 ( 10.720 8.715 0.413) 13.821 10.276 ( -3.202 1.862 4.988) 6.213 10.503 ( 4.710 1.411 1.451) 5.126 11.039 ( -8.206 -4.005 -9.135) 12.916 12.580 ( -1.413 -4.041 -4.296) 6.064 13.294 ( -4.707 1.212 2.764) 5.592 14.200 ( -4.196 0.331 6.728) 7.936 14.590 ( -13.433 -11.308 0.735) 17.574 14.770 ( 8.078 4.023 3.709) 9.757 16.093 ( -7.159 -4.142 -2.983) 8.792 16.740 ( 9.435 5.187 -0.335) 10.772 17.921 ( 9.653 9.441 11.306) 17.611 18.946 ( 1.556 -1.756 -11.888) 12.118 19.970 ( 0.079 -1.385 -0.983) 1.700 19.997 ( -1.598 0.093 0.831) 1.803 20.113 ( 0.495 0.470 1.062) 1.262 ======================= Grid point 171 (78/294) ======================= q-point: (-0.17 0.08 0.08) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( -18.008 -15.860 3.555) 24.258 1.832 ( -24.166 -6.657 5.459) 25.654 2.857 ( 8.053 4.297 -1.741) 9.292 3.231 ( -14.608 -14.199 -3.652) 20.696 3.685 ( -5.028 -4.260 0.061) 6.590 4.011 ( -2.606 8.829 -4.802) 10.382 4.503 ( 9.896 -3.335 4.091) 11.216 4.787 ( -1.114 3.308 1.791) 3.923 5.437 ( -12.485 -7.060 -4.009) 14.893 6.185 ( -0.468 -0.682 2.288) 2.433 8.153 ( -3.546 -3.782 -1.480) 5.392 8.178 ( -4.157 -0.570 1.182) 4.360 9.234 ( 11.879 8.771 -1.680) 14.861 9.670 ( -1.628 -8.521 2.205) 8.951 10.109 ( -10.530 2.473 5.947) 12.343 10.219 ( 6.365 1.270 -2.507) 6.958 10.717 ( 11.552 5.313 -2.903) 13.043 10.840 ( -3.891 -1.256 -3.976) 5.703 12.499 ( -1.879 -2.776 -3.367) 4.751 13.193 ( -8.634 -1.918 -0.064) 8.844 13.866 ( -23.427 -14.464 7.701) 28.589 14.615 ( 9.148 4.458 4.219) 11.016 15.010 ( 12.919 6.888 0.248) 14.643 15.935 ( -6.619 -2.963 -1.106) 7.336 16.894 ( 4.950 2.519 0.374) 5.567 18.213 ( 8.442 7.460 10.762) 15.580 18.872 ( 1.456 -2.294 -15.926) 16.156 19.948 ( 0.453 -2.565 -1.921) 3.237 19.982 ( -2.788 1.833 3.528) 4.856 20.130 ( 0.438 0.404 0.630) 0.867 ======================= Grid point 172 (79/294) ======================= q-point: (-0.08 0.08 0.08) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( -16.047 -15.696 16.626) 27.934 1.328 ( -27.671 -15.420 5.372) 32.129 2.367 ( -48.470 -26.369 -1.366) 55.195 3.065 ( 7.599 4.437 -3.255) 9.382 3.826 ( 11.331 5.318 0.337) 12.522 4.042 ( -0.484 8.356 -4.292) 9.406 4.674 ( 10.525 -1.577 8.961) 13.912 4.866 ( 2.151 3.962 8.401) 9.534 5.222 ( -6.551 -3.453 -5.606) 9.288 6.129 ( -4.715 -3.409 0.987) 5.901 8.059 ( -0.277 -4.178 -5.081) 6.584 8.131 ( -4.180 0.373 4.443) 6.111 9.460 ( 3.153 10.514 0.721) 11.000 9.571 ( 2.374 -12.055 0.754) 12.310 9.940 ( -11.815 -0.252 4.704) 12.719 10.244 ( -1.569 -1.607 -10.091) 10.338 10.765 ( 4.100 2.116 -1.868) 4.978 11.061 ( 14.624 8.851 1.737) 17.182 12.435 ( -2.436 0.014 -1.923) 3.103 12.955 ( -14.155 -8.270 -2.924) 16.652 13.461 ( -14.844 -11.084 8.183) 20.252 14.813 ( 5.873 4.574 -4.574) 8.737 15.302 ( 13.887 7.271 1.214) 15.722 15.813 ( -5.519 -1.657 0.895) 5.831 16.956 ( 0.919 0.224 0.714) 1.185 18.410 ( 3.555 2.139 -0.250) 4.157 18.815 ( 6.109 -1.450 -9.837) 11.670 19.921 ( -0.166 -1.242 -1.572) 2.011 19.980 ( -3.492 2.828 6.371) 7.796 20.141 ( 0.221 0.242 0.236) 0.404 ======================= Grid point 175 (80/294) ======================= q-point: ( 0.17 0.17 0.08) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( -22.774 30.136 11.577) 39.508 1.141 ( 5.519 27.807 20.480) 34.973 1.795 ( 7.697 26.283 43.328) 51.258 3.104 ( -1.454 -8.458 -4.537) 9.708 3.796 ( 5.445 -8.671 -14.393) 17.663 4.097 ( 2.480 1.860 -6.394) 7.107 4.962 ( -12.008 0.308 1.326) 12.085 5.057 ( 8.984 -1.628 5.135) 10.475 5.766 ( 0.925 -41.526 18.965) 45.661 6.000 ( -0.885 6.464 -0.075) 6.524 7.966 ( -4.531 -1.528 -2.341) 5.323 8.122 ( 0.775 5.145 1.420) 5.393 9.478 ( -4.486 6.271 1.736) 7.903 9.590 ( 5.108 -0.127 -5.946) 7.840 9.757 ( 5.572 12.496 -7.994) 15.846 9.842 ( -3.546 8.980 1.372) 9.752 10.882 ( -0.072 -5.654 1.301) 5.802 11.453 ( 0.595 -20.233 0.537) 20.248 12.407 ( 10.198 0.542 0.017) 10.212 12.591 ( -9.090 16.876 0.799) 19.185 13.309 ( -8.993 10.739 1.138) 14.054 13.788 ( 7.838 48.242 -28.675) 56.665 15.669 ( -4.309 -11.166 5.542) 13.189 15.828 ( 4.651 3.156 6.981) 8.963 16.960 ( -0.143 1.924 0.645) 2.034 18.179 ( -1.356 -3.236 -2.689) 4.421 19.254 ( -6.081 -26.083 5.652) 27.373 19.879 ( 2.479 -0.150 -1.945) 3.154 20.064 ( 3.500 6.696 2.016) 7.820 20.143 ( 0.198 0.315 -0.180) 0.414 ======================= Grid point 176 (81/294) ======================= q-point: ( 0.25 0.17 0.08) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( 3.965 26.895 6.337) 27.914 1.530 ( 4.425 11.836 28.703) 31.362 2.625 ( 28.289 34.300 26.148) 51.579 2.919 ( -5.610 -8.450 -6.732) 12.173 3.722 ( 0.427 -5.174 -11.473) 12.593 4.130 ( 2.438 2.474 -5.898) 6.844 4.702 ( -13.980 -4.434 0.510) 14.675 5.238 ( 9.497 -0.678 3.384) 10.104 5.420 ( -13.169 -21.854 16.067) 30.152 6.053 ( 0.065 5.499 -1.035) 5.596 7.901 ( 0.130 -0.393 -2.068) 2.109 8.226 ( 3.831 3.689 2.365) 5.821 9.360 ( -5.011 0.955 -1.908) 5.446 9.709 ( 3.939 -0.761 0.708) 4.074 9.752 ( -3.831 6.428 -3.568) 8.291 10.144 ( 14.695 10.393 -3.872) 18.410 10.809 ( -1.386 -6.817 0.875) 7.011 11.192 ( -8.877 -15.980 0.303) 18.283 12.592 ( 4.192 1.340 5.736) 7.230 12.787 ( 17.730 14.894 -4.165) 23.527 13.211 ( -12.735 15.988 -4.676) 20.968 14.303 ( 17.226 28.517 -17.201) 37.494 15.476 ( -7.467 -15.082 5.457) 17.692 15.977 ( 3.124 6.287 8.283) 10.858 16.987 ( 0.697 0.748 1.653) 1.944 18.015 ( -9.395 -8.120 -5.051) 13.406 18.954 ( -3.943 -18.387 2.501) 18.971 19.905 ( 1.733 0.005 -1.037) 2.020 20.118 ( -0.130 -0.727 -0.390) 0.835 20.205 ( 1.230 5.703 1.976) 6.160 ======================= Grid point 177 (82/294) ======================= q-point: ( 0.33 0.17 0.08) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( 13.396 17.504 2.659) 22.201 1.860 ( 5.614 9.703 25.425) 27.787 2.719 ( -3.859 -7.233 -7.085) 10.835 3.484 ( 25.756 14.917 9.331) 31.192 3.585 ( -5.246 2.562 0.524) 5.862 4.146 ( -0.205 3.515 -4.738) 5.903 4.484 ( -9.212 0.433 -1.164) 9.295 5.153 ( -9.884 -7.744 8.590) 15.213 5.427 ( 12.142 0.603 4.742) 13.049 6.069 ( -1.024 0.100 -1.743) 2.024 7.932 ( 3.609 1.327 -0.885) 3.946 8.323 ( 3.365 2.174 2.176) 4.559 9.287 ( -2.189 -7.239 0.241) 7.567 9.677 ( -6.034 11.441 -6.025) 14.269 9.837 ( 6.620 -0.654 1.764) 6.882 10.285 ( -2.405 0.477 -2.483) 3.489 10.732 ( -2.528 -8.447 -2.044) 9.051 10.990 ( 0.133 -3.034 2.272) 3.792 12.678 ( 2.676 -0.046 3.827) 4.670 13.158 ( -7.003 15.356 -6.527) 18.096 13.280 ( 25.313 13.656 -1.584) 28.805 14.629 ( 4.644 14.999 -2.178) 15.852 15.233 ( -7.402 -15.943 6.535) 18.753 16.136 ( 1.788 9.023 7.402) 11.806 16.996 ( -1.108 -2.554 4.134) 4.984 17.707 ( -11.563 -8.722 -10.827) 18.083 18.815 ( 2.998 -11.723 -2.278) 12.313 19.928 ( 1.541 0.424 -0.684) 1.739 20.097 ( -0.551 -1.418 -1.045) 1.846 20.256 ( -2.281 4.519 2.642) 5.710 ======================= Grid point 178 (83/294) ======================= q-point: ( 0.42 0.17 0.08) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( 8.588 9.463 0.796) 12.804 2.178 ( 6.507 10.316 19.224) 22.767 2.602 ( 1.165 -5.706 -4.172) 7.164 3.371 ( -9.821 -2.139 -4.691) 11.091 3.954 ( 9.441 -3.746 6.730) 12.184 4.129 ( -2.168 3.196 -5.828) 6.992 4.427 ( -3.278 6.985 0.066) 7.716 5.081 ( -0.516 2.290 7.830) 8.174 5.775 ( 21.742 12.323 3.886) 25.291 5.990 ( -4.256 -5.861 -1.692) 7.438 8.011 ( 4.033 0.841 0.343) 4.134 8.416 ( 4.402 2.875 1.115) 5.374 9.112 ( -8.912 -11.143 1.280) 14.326 9.694 ( -0.886 9.843 -5.649) 11.383 9.926 ( 2.144 -0.923 0.760) 2.455 10.137 ( -8.427 -3.962 -1.473) 9.428 10.552 ( -5.017 -7.573 -0.751) 9.115 11.121 ( 8.149 5.732 -0.440) 9.973 12.714 ( 2.971 -4.598 0.181) 5.477 13.180 ( -6.009 18.673 -3.890) 19.998 13.800 ( 23.434 6.932 0.233) 24.439 14.737 ( -2.464 6.988 5.751) 9.380 15.061 ( -3.175 -12.105 12.184) 17.466 16.267 ( -0.696 8.740 4.268) 9.751 16.935 ( -4.779 -6.699 5.451) 9.871 17.410 ( -8.169 -2.652 -14.009) 16.432 18.776 ( 6.393 -8.988 -6.004) 12.558 19.955 ( 1.532 0.688 -0.489) 1.749 20.065 ( -0.542 -1.740 -1.583) 2.414 20.253 ( -4.315 3.432 2.813) 6.189 ======================= Grid point 179 (84/294) ======================= q-point: ( 0.50 0.17 0.08) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.955 ( 3.823 5.395 0.964) 6.682 2.461 ( 4.914 8.186 11.992) 15.328 2.581 ( 3.293 -4.292 -0.346) 5.420 3.163 ( -11.172 -1.403 -2.225) 11.477 3.948 ( -2.284 -4.054 -3.246) 5.673 4.105 ( -1.893 2.552 -1.606) 3.561 4.426 ( -0.090 1.093 -2.215) 2.472 5.218 ( 7.236 2.524 6.289) 9.914 5.801 ( -7.163 -9.930 -2.203) 12.441 6.378 ( 26.287 21.525 4.412) 34.261 8.042 ( -0.517 -3.859 1.096) 4.045 8.509 ( 1.738 1.670 -1.604) 2.896 8.867 ( -7.862 -6.478 2.002) 10.382 9.744 ( 1.301 -0.389 -1.554) 2.064 9.812 ( -10.325 1.040 -1.859) 10.543 10.025 ( -2.349 -2.844 -1.580) 4.013 10.493 ( 2.399 -1.341 2.037) 3.421 11.278 ( 4.746 6.119 -3.682) 8.575 12.694 ( 2.829 -7.634 -2.673) 8.569 13.263 ( -4.137 18.818 -1.057) 19.296 14.041 ( 3.865 -4.663 2.196) 6.442 14.888 ( 4.039 8.520 7.324) 11.939 15.019 ( 3.297 -8.599 17.340) 19.634 16.297 ( -4.123 3.044 -0.604) 5.160 16.775 ( -7.704 -6.491 -1.992) 10.269 17.287 ( -2.112 5.833 -4.062) 7.415 18.775 ( 8.058 -7.824 -8.938) 14.354 19.982 ( 1.150 0.266 -0.198) 1.197 20.034 ( -0.036 -1.309 -1.936) 2.337 20.219 ( -5.013 2.539 2.869) 6.309 ======================= Grid point 180 (85/294) ======================= q-point: ( 0.58 0.17 0.08) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.081 ( 4.626 5.189 3.234) 7.667 2.462 ( -4.631 -6.945 1.126) 8.423 2.725 ( 3.998 9.001 4.978) 11.036 2.972 ( -9.315 -0.836 -0.847) 9.390 3.852 ( -0.285 -5.802 -3.455) 6.759 4.083 ( -4.166 5.406 -0.889) 6.883 4.444 ( 3.223 0.704 -4.661) 5.710 5.322 ( -2.670 -3.853 0.636) 4.731 5.643 ( 3.952 -6.130 2.546) 7.725 6.953 ( 13.719 17.571 1.257) 22.328 7.907 ( -7.687 -6.584 2.283) 10.375 8.429 ( -1.298 -7.239 -6.003) 9.493 8.857 ( 0.374 5.199 4.174) 6.678 9.580 ( -5.534 -6.532 -0.412) 8.571 9.840 ( 1.751 3.691 0.323) 4.098 9.966 ( -0.841 1.331 -1.743) 2.349 10.565 ( 3.529 -0.550 3.762) 5.187 11.335 ( -0.507 4.618 -6.521) 8.007 12.642 ( 2.355 -8.574 -3.134) 9.428 13.367 ( -3.859 16.303 0.341) 16.757 14.008 ( 0.794 -5.577 2.050) 5.995 14.859 ( -9.702 -6.631 18.848) 22.211 15.268 ( 9.306 1.554 5.417) 10.879 16.227 ( -0.906 -1.302 -2.077) 2.613 16.572 ( -8.600 -1.792 -7.471) 11.532 17.391 ( 3.551 11.243 5.436) 12.983 18.784 ( 8.497 -7.347 -11.319) 15.947 19.981 ( 0.093 -2.004 -0.224) 2.019 20.033 ( 1.021 1.125 -1.664) 2.254 20.176 ( -4.703 1.798 3.135) 5.932 ======================= Grid point 181 (86/294) ======================= q-point: (-0.33 0.17 0.08) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.144 ( -5.150 -8.695 3.553) 10.712 2.358 ( -3.619 9.413 3.162) 10.568 2.813 ( -6.471 5.786 -1.190) 8.761 2.885 ( 3.745 -1.163 0.086) 3.922 3.812 ( 3.595 -5.412 -2.168) 6.849 4.080 ( -1.704 5.396 0.484) 5.680 4.466 ( 1.609 0.599 -6.326) 6.554 5.103 ( -10.515 -9.970 0.602) 14.503 5.816 ( 12.450 0.870 3.308) 12.911 6.887 ( -26.911 -4.131 -2.555) 27.346 7.988 ( 13.791 8.489 3.286) 16.524 8.331 ( 1.370 -7.289 -6.142) 9.630 8.866 ( -5.673 1.018 2.072) 6.125 9.556 ( 6.439 -0.262 0.722) 6.485 9.855 ( -1.609 0.505 2.546) 3.054 10.060 ( 7.279 6.442 -1.342) 9.813 10.597 ( -1.058 -3.371 5.287) 6.359 11.276 ( -5.566 2.511 -8.683) 10.615 12.581 ( 1.473 -8.010 -1.948) 8.374 13.431 ( -4.430 11.799 -0.077) 12.604 14.051 ( 6.234 -0.331 2.999) 6.926 14.742 ( -7.072 -6.424 13.408) 16.464 15.209 ( -13.755 -9.999 3.287) 17.320 16.309 ( 5.795 0.359 1.794) 6.077 16.406 ( -2.765 3.468 -7.540) 8.747 17.638 ( 7.152 13.109 8.355) 17.112 18.780 ( 7.818 -7.330 -13.867) 17.525 19.960 ( 0.075 -2.302 -0.048) 2.303 20.052 ( 0.450 1.875 -1.452) 2.414 20.141 ( -3.485 1.091 3.899) 5.342 ======================= Grid point 182 (87/294) ======================= q-point: (-0.25 0.17 0.08) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.863 ( -16.490 -10.148 3.066) 19.603 2.446 ( -8.075 11.234 6.928) 15.473 2.703 ( -3.910 -2.079 -4.898) 6.603 3.009 ( 10.212 2.749 -0.726) 10.600 3.814 ( 3.285 -5.462 -2.974) 7.033 4.149 ( 1.817 7.809 1.072) 8.089 4.411 ( -3.484 -3.161 -3.884) 6.100 4.897 ( -5.874 -6.795 4.545) 10.067 6.010 ( 5.986 0.171 0.573) 6.016 6.272 ( -31.758 -8.247 -3.050) 32.953 8.225 ( 1.797 -3.014 -1.868) 3.975 8.296 ( 1.693 4.198 -0.462) 4.550 8.834 ( 5.157 1.338 -0.448) 5.347 9.688 ( 5.082 -1.082 1.590) 5.434 9.899 ( 4.319 5.815 2.233) 7.580 10.260 ( 9.526 6.260 -0.331) 11.403 10.523 ( -5.282 -6.761 5.798) 10.355 11.115 ( -9.501 0.941 -9.441) 13.427 12.521 ( 0.384 -6.440 -0.007) 6.451 13.448 ( -5.519 9.147 -0.834) 10.715 14.203 ( 7.071 1.838 4.518) 8.590 14.687 ( -1.493 -2.831 0.401) 3.226 14.802 ( -18.480 -15.492 9.083) 25.768 16.206 ( -9.441 0.506 0.000) 9.454 16.600 ( 12.802 4.283 -0.849) 13.526 17.935 ( 8.381 12.323 8.362) 17.089 18.740 ( 6.323 -7.275 -17.443) 19.929 19.941 ( -0.014 -2.005 0.249) 2.020 20.062 ( -0.943 2.261 -0.264) 2.463 20.130 ( -1.512 0.489 4.281) 4.566 ======================= Grid point 183 (88/294) ======================= q-point: (-0.17 0.17 0.08) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( -20.182 -7.738 7.280) 22.807 2.216 ( -24.407 -3.418 0.520) 24.651 2.740 ( 8.325 2.415 -2.426) 9.001 3.206 ( 6.263 4.212 0.117) 7.549 3.742 ( -3.942 -5.994 -2.844) 7.717 4.173 ( -9.900 3.276 -0.151) 10.429 4.381 ( 6.156 0.803 5.243) 8.126 4.828 ( -1.184 -2.776 5.648) 6.404 5.632 ( -23.880 -5.786 -5.101) 25.095 6.163 ( 3.527 -0.714 0.092) 3.600 8.144 ( -2.951 -3.387 -6.393) 7.814 8.279 ( -5.471 0.301 4.516) 7.100 9.058 ( 15.156 4.934 -1.600) 16.018 9.693 ( -2.689 -0.704 2.357) 3.645 10.097 ( 9.105 5.903 -1.043) 10.901 10.304 ( -8.869 -6.666 6.400) 12.809 10.547 ( 12.381 3.234 -1.467) 12.881 10.912 ( -9.611 1.199 -6.589) 11.714 12.477 ( -0.489 -3.918 2.239) 4.539 13.395 ( -10.278 8.309 -2.930) 13.537 14.101 ( -20.038 -15.544 0.638) 25.368 14.544 ( 5.378 1.112 7.072) 8.954 14.836 ( 11.773 -0.919 3.389) 12.286 16.065 ( -9.508 0.726 2.711) 9.913 16.807 ( 8.817 2.131 0.164) 9.072 18.208 ( 7.763 7.601 5.373) 12.120 18.661 ( 4.713 -4.616 -20.596) 21.627 19.925 ( -0.221 -1.278 0.375) 1.350 20.068 ( -1.376 2.141 2.289) 3.423 20.141 ( -0.686 0.265 4.045) 4.111 ======================= Grid point 184 (89/294) ======================= q-point: (-0.08 0.17 0.08) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( -19.748 -4.981 16.403) 26.150 1.692 ( -29.636 -11.121 -2.295) 31.737 2.885 ( 0.631 3.228 -1.666) 3.687 3.022 ( -27.195 -3.737 1.997) 27.523 3.725 ( 7.803 4.614 -1.052) 9.126 4.078 ( -1.650 -1.513 4.280) 4.830 4.564 ( 8.259 4.958 4.569) 10.662 4.857 ( 3.136 -4.197 8.295) 9.811 5.312 ( -9.936 0.320 -4.086) 10.748 6.162 ( -1.734 -2.209 -0.842) 2.932 8.027 ( -3.205 -1.850 -5.903) 6.967 8.226 ( -4.264 -0.200 3.924) 5.798 9.309 ( 12.245 0.338 -1.947) 12.404 9.656 ( -5.158 5.434 2.618) 7.937 10.041 ( -8.121 -11.938 -0.707) 14.456 10.278 ( -0.038 5.519 -0.415) 5.535 10.720 ( 2.507 3.892 -4.344) 6.348 10.887 ( 11.183 2.195 2.067) 11.582 12.463 ( -1.050 -0.119 4.554) 4.675 13.224 ( -18.259 9.055 -7.619) 21.759 13.597 ( -17.661 -20.128 3.056) 26.952 14.722 ( 7.025 0.747 1.442) 7.211 15.095 ( 16.840 1.867 2.028) 17.064 15.944 ( -8.577 0.625 4.692) 9.797 16.925 ( 4.077 0.387 0.872) 4.187 18.304 ( 4.043 -6.375 -12.992) 15.026 18.667 ( 6.487 7.581 -6.966) 12.169 19.916 ( -0.314 -0.185 0.252) 0.443 20.085 ( -1.058 1.565 4.288) 4.686 20.153 ( -0.935 -0.060 4.161) 4.265 ======================= Grid point 187 (90/294) ======================= q-point: ( 0.17 0.25 0.08) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( -5.856 25.289 14.402) 29.686 1.562 ( -6.450 25.663 19.380) 32.799 2.409 ( -27.175 24.325 27.393) 45.613 2.986 ( 3.957 -4.364 -2.183) 6.282 3.550 ( 2.251 -10.350 -15.056) 18.408 3.997 ( 2.993 -6.055 -4.046) 7.873 4.828 ( 15.721 -1.973 0.165) 15.845 5.154 ( -7.276 -10.098 -1.009) 12.487 5.462 ( 6.212 -11.078 18.219) 22.209 6.104 ( -1.803 8.154 0.178) 8.353 7.990 ( -0.466 1.869 -2.057) 2.818 8.240 ( -5.639 4.468 2.653) 7.668 9.387 ( 5.244 2.132 -1.455) 5.845 9.664 ( 9.756 3.717 -0.653) 10.461 9.721 ( -10.102 -0.595 -2.483) 10.420 10.107 ( -12.290 8.088 -4.488) 15.382 10.817 ( 0.683 -5.801 0.838) 5.901 11.182 ( 9.403 -16.315 0.395) 18.835 12.319 ( -0.744 -3.225 -1.089) 3.484 13.002 ( -17.471 17.826 1.048) 24.982 13.415 ( 9.373 21.421 2.434) 23.508 14.135 ( -16.535 22.701 -22.618) 36.060 15.591 ( 5.354 -13.505 8.759) 16.964 15.847 ( -0.439 3.614 5.385) 6.500 16.996 ( -1.061 1.380 1.559) 2.337 18.081 ( 6.733 -3.456 -6.596) 10.040 19.101 ( 1.516 -15.112 1.786) 15.293 19.844 ( -1.038 -1.565 -2.291) 2.962 20.083 ( 0.870 1.290 4.027) 4.317 20.140 ( 0.715 0.402 0.485) 0.953 ======================= Grid point 188 (91/294) ======================= q-point: ( 0.25 0.25 0.08) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.577 ( -17.643 29.562 9.466) 35.704 1.786 ( -2.961 15.535 23.465) 28.297 2.696 ( 10.886 17.081 12.822) 23.972 2.937 ( -4.116 4.726 6.177) 8.799 3.499 ( 9.359 -4.974 -12.309) 16.244 4.015 ( 6.813 -3.474 -5.092) 9.188 4.880 ( -11.678 -10.320 0.371) 15.589 5.039 ( 12.835 -3.926 -1.251) 13.481 5.445 ( -4.466 -10.911 13.159) 17.668 6.149 ( -2.912 7.345 0.728) 7.935 7.945 ( -4.287 1.553 -0.916) 4.651 8.249 ( -0.428 6.035 1.878) 6.335 9.420 ( -2.403 -9.925 -2.031) 10.412 9.608 ( 1.889 5.296 0.657) 5.661 9.856 ( 3.034 7.133 -7.803) 10.999 10.082 ( 1.940 13.225 2.315) 13.566 10.750 ( -0.613 -9.043 0.658) 9.087 11.088 ( 0.345 -17.911 -0.874) 17.935 12.416 ( 12.527 0.548 0.170) 12.540 12.943 ( -10.751 16.789 2.345) 20.074 13.597 ( -11.453 20.175 -1.052) 23.223 14.254 ( 11.117 31.511 -17.677) 37.803 15.466 ( -5.097 -16.392 6.225) 18.261 15.999 ( 5.918 5.173 9.129) 12.046 17.004 ( -0.449 1.056 1.741) 2.085 18.025 ( -3.489 -7.649 -6.600) 10.688 18.870 ( -6.088 -20.316 3.305) 21.465 19.857 ( 2.931 0.393 -2.250) 3.716 20.106 ( 0.156 -1.167 -0.218) 1.197 20.210 ( 3.702 3.479 2.290) 5.573 ======================= Grid point 189 (92/294) ======================= q-point: ( 0.33 0.25 0.08) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( -7.428 28.059 6.474) 29.739 2.032 ( 1.933 10.745 22.346) 24.870 2.674 ( -3.766 -7.532 -6.625) 10.715 3.294 ( 13.636 4.830 2.321) 14.651 3.611 ( 7.958 7.313 5.874) 12.301 4.074 ( 6.497 -0.706 -7.469) 9.925 4.627 ( -9.190 -4.647 0.786) 10.328 5.176 ( 6.769 -4.855 2.553) 8.713 5.356 ( -2.629 1.387 7.557) 8.121 6.134 ( -5.312 2.790 -0.246) 6.005 7.930 ( -0.382 3.964 0.684) 4.041 8.320 ( 1.404 4.258 1.021) 4.598 9.263 ( -3.366 -8.772 -0.540) 9.411 9.735 ( 6.647 1.368 2.243) 7.147 9.834 ( -5.057 7.315 -6.875) 11.240 10.294 ( 3.352 7.622 -0.951) 8.381 10.652 ( -0.203 -10.159 -0.283) 10.165 10.928 ( 0.644 -10.498 0.018) 10.518 12.628 ( 8.526 -2.267 4.601) 9.950 13.027 ( 6.089 13.957 -4.690) 15.933 13.588 ( -12.885 27.406 -2.442) 30.383 14.650 ( 11.068 21.059 -4.453) 24.204 15.235 ( -7.761 -16.318 5.555) 18.904 16.200 ( 5.297 7.010 8.572) 12.275 17.012 ( -0.718 -1.481 3.858) 4.195 17.763 ( -11.445 -9.844 -8.969) 17.560 18.659 ( -0.365 -15.189 0.838) 15.216 19.894 ( 2.387 0.421 -1.376) 2.787 20.084 ( -0.508 -1.875 -0.987) 2.179 20.298 ( 1.953 2.444 1.126) 3.325 ======================= Grid point 190 (93/294) ======================= q-point: ( 0.42 0.25 0.08) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( -0.695 20.639 4.700) 21.178 2.291 ( 4.328 10.280 16.733) 20.110 2.530 ( -1.965 -4.921 -4.555) 6.987 3.355 ( 2.457 -6.049 -7.539) 9.973 3.841 ( 6.486 -2.678 11.391) 13.379 4.096 ( 2.636 -1.080 -10.189) 10.579 4.525 ( -2.714 0.247 0.087) 2.727 5.154 ( -4.188 -1.797 6.346) 7.812 5.633 ( 17.325 20.029 4.914) 26.935 6.025 ( -7.018 -3.658 -0.909) 7.966 7.991 ( 1.428 3.331 2.032) 4.155 8.390 ( 2.839 4.047 0.017) 4.943 9.118 ( -4.346 -11.097 1.337) 11.992 9.772 ( -2.663 2.512 -4.798) 6.035 9.880 ( 4.561 5.087 0.625) 6.861 10.242 ( -8.819 -2.031 -2.092) 9.288 10.523 ( -2.493 -10.290 -1.119) 10.647 11.005 ( 10.547 2.447 -0.231) 10.829 12.665 ( -0.949 -3.247 1.792) 3.828 13.291 ( 11.944 8.673 -5.730) 15.834 13.726 ( -0.955 28.269 1.214) 28.311 14.882 ( -3.354 6.899 4.223) 8.757 15.036 ( -0.272 -10.620 9.603) 14.320 16.375 ( 1.605 8.310 4.831) 9.745 16.972 ( -3.980 -6.604 5.857) 9.683 17.456 ( -8.760 -2.967 -11.854) 15.035 18.560 ( 4.033 -12.507 -2.760) 13.428 19.928 ( 2.027 0.611 -0.849) 2.280 20.047 ( -0.684 -2.261 -1.521) 2.809 20.329 ( -0.888 1.577 0.707) 1.944 ======================= Grid point 191 (94/294) ======================= q-point: ( 0.50 0.25 0.08) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.045 ( -2.564 12.475 3.875) 13.312 2.478 ( 1.480 -2.953 -1.065) 3.471 2.545 ( 5.701 9.648 11.046) 15.735 3.253 ( -4.437 -3.486 -5.312) 7.749 3.888 ( 1.077 -9.040 0.891) 9.148 4.074 ( 3.829 -0.190 -5.076) 6.361 4.486 ( -3.487 1.932 -1.243) 4.176 5.149 ( 2.952 -2.010 4.220) 5.529 5.824 ( -8.710 -8.896 -1.980) 12.607 6.247 ( 22.740 28.228 6.477) 36.822 8.025 ( -0.308 -1.341 2.073) 2.488 8.491 ( 3.072 3.884 -0.778) 5.013 8.928 ( -6.730 -8.837 2.047) 11.294 9.717 ( -1.588 -3.851 -2.630) 4.926 9.962 ( -3.009 6.275 -2.286) 7.325 10.048 ( -7.113 -3.542 -0.991) 8.008 10.435 ( 2.005 -4.925 0.919) 5.396 11.201 ( 8.947 4.642 -2.952) 10.502 12.602 ( -1.272 -4.951 -1.939) 5.467 13.470 ( 1.767 12.783 -1.854) 13.037 13.985 ( 2.582 10.510 2.098) 11.024 14.864 ( 4.009 3.040 3.588) 6.180 15.081 ( -1.999 -5.781 19.498) 20.435 16.412 ( -6.158 2.230 1.033) 6.630 16.821 ( -6.559 -4.433 -4.860) 9.289 17.361 ( -0.943 6.523 -1.263) 6.711 18.512 ( 6.931 -11.463 -6.586) 14.927 19.961 ( 1.612 0.468 -0.329) 1.710 20.008 ( -0.200 -2.125 -2.013) 2.934 20.314 ( -2.857 1.138 0.812) 3.181 ======================= Grid point 192 (95/294) ======================= q-point: ( 0.58 0.25 0.08) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.119 ( -0.835 5.527 4.637) 7.263 2.478 ( -0.395 0.063 1.346) 1.404 2.760 ( 4.333 7.264 5.660) 10.178 3.104 ( -7.836 -1.007 -3.235) 8.537 3.766 ( -0.883 -10.116 -4.247) 11.007 4.154 ( 4.389 3.898 -3.188) 6.680 4.436 ( -5.237 4.082 -0.729) 6.680 5.261 ( 8.826 -1.137 1.728) 9.066 5.566 ( -7.121 -13.712 0.011) 15.451 6.899 ( 19.702 27.009 3.632) 33.628 7.970 ( -4.678 -5.285 2.628) 7.531 8.406 ( -8.312 -8.393 -4.301) 12.571 8.901 ( 3.000 5.572 3.705) 7.334 9.583 ( -4.809 -10.460 -0.994) 11.555 9.892 ( -4.323 4.787 -2.682) 6.985 9.998 ( -1.423 1.733 -0.129) 2.246 10.492 ( 5.913 -1.994 2.630) 6.772 11.325 ( 3.653 4.237 -5.386) 7.766 12.525 ( 0.334 -6.284 -2.829) 6.899 13.592 ( -2.418 14.588 0.486) 14.795 13.984 ( -3.701 -3.167 1.450) 5.082 15.031 ( -7.600 -11.956 21.764) 25.969 15.141 ( 14.035 10.328 3.250) 17.726 16.256 ( -7.879 -6.202 -1.008) 10.078 16.667 ( -7.268 4.100 -10.130) 13.125 17.484 ( 2.716 11.033 6.976) 13.333 18.493 ( 8.879 -10.387 -10.210) 17.058 19.962 ( -0.199 -2.140 -0.210) 2.159 20.005 ( 1.908 0.661 -1.824) 2.721 20.274 ( -3.722 0.909 1.372) 4.070 ======================= Grid point 193 (96/294) ======================= q-point: (-0.33 0.25 0.08) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.147 ( -1.257 -5.147 5.820) 7.870 2.504 ( -1.589 8.940 1.357) 9.181 2.859 ( 0.301 1.863 0.874) 2.080 2.969 ( -7.361 2.970 -1.765) 8.132 3.680 ( 3.411 -7.651 -2.323) 8.693 4.215 ( -1.871 8.434 -3.068) 9.168 4.398 ( -1.334 1.179 -1.810) 2.539 5.182 ( -10.487 -11.034 1.444) 15.291 5.582 ( 16.121 -3.174 1.150) 16.471 7.243 ( -11.963 10.745 -0.615) 16.091 7.894 ( 5.389 3.089 4.227) 7.514 8.208 ( -0.477 -8.377 -5.888) 10.250 8.986 ( -4.408 2.746 2.607) 5.811 9.461 ( 2.916 -4.462 -0.187) 5.333 9.885 ( -0.211 0.591 1.583) 1.703 10.034 ( 2.246 6.270 -1.306) 6.787 10.566 ( 3.384 -3.820 3.258) 6.055 11.336 ( -2.523 3.581 -6.871) 8.149 12.471 ( 1.860 -6.267 -1.515) 6.710 13.637 ( -7.176 10.742 0.019) 12.918 13.964 ( 4.562 -1.289 2.256) 5.250 14.874 ( -9.342 -12.039 15.121) 21.468 15.331 ( -4.755 0.189 3.307) 5.795 16.164 ( 6.653 -3.035 -0.776) 7.354 16.539 ( -8.938 5.992 -5.669) 12.163 17.704 ( 5.293 11.994 7.988) 15.352 18.486 ( 8.986 -8.496 -13.238) 18.115 19.940 ( 0.091 -1.982 0.061) 1.986 20.034 ( 1.746 0.914 -1.632) 2.559 20.231 ( -3.587 0.689 2.543) 4.451 ======================= Grid point 194 (97/294) ======================= q-point: (-0.25 0.25 0.08) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.030 ( -9.548 -6.888 6.340) 13.372 2.571 ( 0.962 3.782 -1.144) 4.066 2.789 ( -8.553 -4.564 -2.350) 9.975 2.980 ( 1.575 13.746 1.597) 13.928 3.687 ( 4.552 -5.096 -1.312) 6.958 4.250 ( -2.192 10.320 -0.369) 10.556 4.374 ( -0.124 -2.415 -3.221) 4.027 4.943 ( -6.725 -10.999 5.919) 14.186 5.831 ( 14.631 -0.124 -1.385) 14.697 6.785 ( -37.233 -3.373 -1.735) 37.426 8.132 ( 2.767 -4.252 -4.385) 6.706 8.229 ( 14.496 9.823 1.861) 17.609 8.855 ( -7.940 -2.921 0.632) 8.484 9.576 ( 9.090 0.922 0.962) 9.187 9.915 ( 1.449 2.040 3.194) 4.057 10.167 ( 7.261 6.230 -1.245) 9.648 10.542 ( -2.175 -7.569 2.735) 8.337 11.243 ( -7.975 3.462 -6.513) 10.862 12.452 ( 2.139 -4.563 1.041) 5.146 13.608 ( -5.344 7.491 -1.087) 9.265 14.097 ( 8.657 0.122 3.170) 9.220 14.711 ( -5.330 -8.163 6.748) 11.857 15.052 ( -21.688 -9.077 3.015) 23.703 16.335 ( 5.385 0.244 2.110) 5.789 16.454 ( -0.164 5.704 -1.245) 5.841 17.946 ( 7.594 7.574 5.174) 11.908 18.477 ( 6.918 -3.582 -15.187) 17.069 19.928 ( 0.148 -1.376 0.630) 1.521 20.059 ( 1.366 0.954 -1.771) 2.432 20.204 ( -2.680 0.269 4.356) 5.121 ======================= Grid point 195 (98/294) ======================= q-point: (-0.17 0.25 0.08) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.809 ( -16.380 -2.804 8.492) 18.662 2.487 ( -16.286 -10.091 -5.088) 19.823 2.628 ( 4.461 0.682 -1.770) 4.848 3.213 ( 5.469 17.254 2.336) 18.250 3.681 ( 1.145 -5.600 -0.607) 5.748 4.283 ( -2.666 -2.177 -2.614) 4.323 4.379 ( 2.434 7.902 4.541) 9.433 4.836 ( -1.489 -7.359 7.981) 10.957 5.981 ( -3.277 0.089 -3.852) 5.059 6.146 ( -25.022 -3.122 -1.295) 25.249 8.103 ( 0.865 -2.492 -4.991) 5.645 8.404 ( -4.482 2.751 2.728) 5.924 8.858 ( 11.191 1.618 -0.195) 11.309 9.705 ( 4.129 1.413 1.122) 4.506 10.022 ( 6.222 3.808 2.005) 7.565 10.350 ( 4.794 2.797 -1.028) 5.644 10.393 ( -1.193 -9.351 0.517) 9.441 11.090 ( -11.138 4.249 -3.322) 12.375 12.466 ( 1.304 -1.392 3.844) 4.292 13.581 ( -5.660 5.680 -2.112) 8.292 14.181 ( -1.945 -7.378 -1.665) 7.809 14.620 ( -10.362 -0.255 2.199) 10.596 14.700 ( 0.063 -7.690 7.429) 10.692 16.263 ( -10.118 1.083 5.280) 11.464 16.652 ( 12.216 1.874 0.191) 12.360 18.095 ( 7.972 -5.682 -5.578) 11.268 18.510 ( 4.414 9.034 -10.641) 14.640 19.925 ( -0.078 -0.557 0.952) 1.106 20.077 ( 1.038 0.910 -1.529) 2.059 20.198 ( -1.597 -0.582 6.148) 6.379 ======================= Grid point 196 (99/294) ======================= q-point: (-0.08 0.25 0.08) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( -18.853 1.492 13.385) 23.169 2.019 ( -24.576 -10.574 -4.229) 27.086 2.730 ( 9.072 0.020 -4.862) 10.293 3.441 ( -4.215 17.279 3.991) 18.228 3.620 ( 1.306 -7.288 -0.074) 7.404 4.170 ( -7.552 -4.009 5.614) 10.229 4.535 ( 4.595 5.810 0.259) 7.412 4.820 ( 0.870 -5.317 9.886) 11.259 5.561 ( -23.113 2.867 -1.728) 23.354 6.118 ( 3.620 -1.672 -3.299) 5.175 8.044 ( -2.947 -0.017 -5.186) 5.964 8.324 ( -5.978 0.096 3.529) 6.942 9.098 ( 13.874 0.766 -0.286) 13.898 9.767 ( -0.072 4.684 1.293) 4.860 10.075 ( -9.262 -5.096 -5.790) 12.053 10.224 ( 6.883 -5.005 3.322) 9.136 10.583 ( 13.107 1.984 -1.960) 13.401 10.950 ( -9.895 5.025 1.654) 11.221 12.514 ( 0.500 2.742 6.067) 6.677 13.482 ( -8.464 1.121 -4.192) 9.512 13.795 ( -25.452 -8.170 -5.279) 27.247 14.632 ( 4.901 -2.069 7.120) 8.888 14.850 ( 14.767 -0.226 2.771) 15.027 16.134 ( -10.119 -0.244 6.895) 12.247 16.833 ( 8.327 0.165 1.213) 8.416 18.046 ( 5.592 -10.757 -17.492) 21.283 18.663 ( 4.450 14.189 -3.880) 15.368 19.926 ( -0.306 0.393 0.859) 0.993 20.094 ( 0.971 0.640 -0.865) 1.449 20.201 ( -1.206 -2.231 7.033) 7.476 ======================= Grid point 199 (100/294) ======================= q-point: ( 0.17 0.33 0.08) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.835 ( -5.709 14.001 16.562) 22.426 1.933 ( 0.667 26.353 13.550) 29.640 2.779 ( 1.206 -3.690 -3.333) 5.117 3.297 ( -9.950 -2.432 8.525) 13.326 3.459 ( -23.312 15.269 -0.309) 27.869 3.873 ( -1.648 -10.549 -6.110) 12.302 4.529 ( 16.292 -4.331 -0.495) 16.866 4.983 ( 4.764 -15.737 1.439) 16.505 5.631 ( -9.126 11.271 9.204) 17.176 6.172 ( 2.151 5.086 0.242) 5.527 8.024 ( -1.426 4.657 -1.822) 5.200 8.364 ( -2.821 3.363 3.475) 5.598 9.346 ( -0.370 -8.346 -1.544) 8.496 9.541 ( 8.588 8.130 0.219) 11.829 9.858 ( -8.161 1.638 -2.421) 8.668 10.203 ( 1.244 -3.725 -3.055) 4.975 10.800 ( 2.130 -3.336 -1.199) 4.136 10.924 ( 1.183 -7.412 0.128) 7.506 12.340 ( -7.641 -6.523 -0.618) 10.066 13.299 ( 2.082 14.480 -4.560) 15.323 13.667 ( -11.428 28.837 6.155) 31.623 14.388 ( -9.337 4.408 -7.731) 12.899 15.386 ( 10.455 -11.379 10.767) 18.834 15.954 ( -5.048 2.732 4.409) 7.238 17.018 ( 0.793 -0.780 3.399) 3.577 17.830 ( 13.395 -2.794 -12.282) 18.387 18.980 ( 0.263 -6.733 -2.429) 7.163 19.850 ( -3.436 -2.953 -1.939) 4.929 20.095 ( 0.099 -0.877 1.632) 1.856 20.137 ( 1.108 0.301 3.073) 3.280 ======================= Grid point 200 (101/294) ======================= q-point: ( 0.25 0.33 0.08) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.000 ( -2.680 15.037 16.486) 22.474 2.233 ( -8.311 22.729 15.027) 28.486 2.680 ( -2.590 -4.381 -4.117) 6.546 3.174 ( -3.897 -2.331 -4.175) 6.169 3.390 ( -5.925 20.344 8.918) 22.989 3.809 ( 7.356 -8.661 -4.614) 12.264 4.741 ( 15.079 -4.999 0.039) 15.886 4.856 ( -0.971 -15.788 -1.245) 15.867 5.617 ( -9.963 8.256 7.853) 15.136 6.248 ( -0.224 5.288 1.571) 5.521 8.021 ( -2.821 3.449 -0.914) 4.549 8.358 ( -3.732 4.870 2.184) 6.512 9.287 ( 2.640 -10.044 -0.123) 10.386 9.718 ( -7.366 3.873 -3.174) 8.907 9.768 ( 9.042 5.834 -1.635) 10.884 10.192 ( 0.806 3.112 -0.494) 3.252 10.724 ( -5.171 -2.580 -0.255) 5.785 10.880 ( 4.482 -14.766 -1.301) 15.486 12.279 ( 4.354 0.018 -1.043) 4.477 13.311 ( -12.620 12.126 2.696) 17.708 13.914 ( -1.503 26.904 3.695) 27.199 14.329 ( -0.164 19.284 -12.894) 23.198 15.389 ( 0.409 -16.309 7.807) 18.086 16.021 ( 3.064 6.036 8.194) 10.628 17.029 ( -0.379 -0.380 2.562) 2.617 17.890 ( 5.904 -6.405 -11.177) 14.171 18.806 ( -6.128 -16.936 0.934) 18.035 19.810 ( 1.329 0.502 -2.277) 2.683 20.091 ( 0.072 -1.390 -0.256) 1.415 20.198 ( 2.586 1.889 3.313) 4.608 ======================= Grid point 201 (102/294) ======================= q-point: ( 0.33 0.33 0.08) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.175 ( -10.708 22.822 7.712) 26.363 2.247 ( -8.179 8.492 16.980) 20.672 2.621 ( -0.124 -4.354 -3.010) 5.294 3.134 ( 5.539 -2.794 -7.672) 9.867 3.625 ( 4.591 10.721 11.735) 16.545 3.861 ( 10.251 -5.466 -7.453) 13.802 4.655 ( -3.991 -12.284 -0.741) 12.937 4.984 ( 14.847 2.264 3.482) 15.417 5.563 ( -10.263 10.360 4.447) 15.245 6.252 ( -5.082 2.017 1.333) 5.628 8.007 ( -2.648 4.925 0.893) 5.663 8.373 ( -1.579 5.053 0.737) 5.345 9.194 ( -0.517 -12.538 0.337) 12.553 9.700 ( 1.057 4.556 -1.325) 4.861 9.871 ( 1.634 1.510 -3.546) 4.187 10.308 ( 5.585 5.976 -0.100) 8.180 10.604 ( -5.505 -4.157 -0.288) 6.905 10.789 ( 2.740 -11.531 -0.856) 11.883 12.436 ( 12.626 1.317 0.439) 12.702 13.213 ( -11.591 10.134 -0.577) 15.407 14.039 ( -11.416 25.910 1.383) 28.348 14.626 ( 13.090 21.794 -4.780) 25.868 15.232 ( -5.445 -13.803 4.577) 15.528 16.207 ( 6.237 5.439 9.289) 12.441 17.034 ( -0.548 -0.961 3.798) 3.956 17.754 ( -5.033 -9.770 -12.041) 16.303 18.557 ( -4.238 -16.650 2.397) 17.348 19.847 ( 2.919 1.060 -1.910) 3.646 20.068 ( -0.469 -2.051 -0.885) 2.283 20.277 ( 3.034 1.384 1.627) 3.711 ======================= Grid point 202 (103/294) ======================= q-point: ( 0.42 0.33 0.08) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.190 ( -7.939 16.490 4.221) 18.782 2.400 ( 1.468 9.507 7.549) 12.228 2.552 ( -4.552 0.230 3.974) 6.047 3.168 ( 7.195 -5.861 -5.463) 10.768 3.780 ( 3.920 -5.105 9.077) 11.127 3.916 ( 8.179 -4.291 -11.285) 14.583 4.508 ( -1.048 -8.719 -1.010) 8.840 5.227 ( 2.038 2.503 5.574) 6.441 5.670 ( 6.494 25.928 4.216) 27.059 6.131 ( -9.492 -3.056 0.363) 9.979 8.045 ( -0.937 5.485 2.811) 6.234 8.401 ( 0.394 3.706 -0.719) 3.796 9.067 ( -1.680 -11.620 1.574) 11.846 9.749 ( 1.380 -1.360 -1.834) 2.668 9.891 ( 1.767 4.295 -1.132) 4.780 10.332 ( -3.505 -3.501 -3.615) 6.133 10.470 ( -4.779 -5.630 -0.375) 7.394 10.846 ( 10.169 1.525 0.100) 10.284 12.625 ( 6.435 -2.512 3.047) 7.550 13.187 ( 2.059 9.990 -6.840) 12.281 14.125 ( -9.880 27.249 3.188) 29.159 14.973 ( 8.573 9.078 7.582) 14.608 15.031 ( -8.288 -6.409 1.369) 10.566 16.407 ( 5.937 6.530 4.641) 9.972 17.014 ( -3.759 -5.576 7.358) 9.968 17.481 ( -6.976 -5.073 -13.743) 16.226 18.394 ( 0.196 -14.262 0.877) 14.290 19.892 ( 2.536 1.010 -1.319) 3.032 20.030 ( -0.857 -2.486 -1.257) 2.915 20.330 ( 1.679 0.402 0.223) 1.740 ======================= Grid point 203 (104/294) ======================= q-point: ( 0.50 0.33 0.08) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.259 ( -3.925 10.487 3.539) 11.743 2.456 ( -2.048 4.850 -2.600) 5.872 2.621 ( 2.289 6.637 11.426) 13.410 3.183 ( 3.903 -4.726 -4.801) 7.786 3.770 ( 1.794 -12.168 1.522) 12.393 3.949 ( 6.100 -1.798 -6.046) 8.774 4.460 ( 4.151 -4.305 -1.337) 6.128 5.203 ( -6.327 2.344 2.636) 7.244 5.899 ( -11.249 -8.026 -1.444) 13.894 6.226 ( 18.814 31.092 6.965) 37.002 8.064 ( -3.062 0.930 2.782) 4.240 8.469 ( 3.631 3.263 -0.330) 4.893 8.937 ( -3.271 -8.605 2.123) 9.447 9.685 ( -2.217 -6.240 -2.581) 7.108 9.988 ( 2.947 3.798 1.226) 4.961 10.176 ( -8.472 -0.337 -4.868) 9.777 10.362 ( -0.606 -5.993 0.341) 6.033 11.056 ( 11.174 3.967 -1.910) 12.011 12.604 ( -3.676 -4.602 0.376) 5.902 13.386 ( 12.950 8.127 -5.491) 16.245 14.226 ( -9.112 17.993 3.591) 20.486 14.900 ( -2.934 2.441 3.622) 5.261 15.157 ( 0.605 -0.936 14.836) 14.878 16.518 ( -2.468 2.559 0.880) 3.662 16.852 ( -6.782 -5.725 -4.972) 10.173 17.406 ( 2.142 6.109 -1.654) 6.682 18.287 ( 2.865 -13.500 -2.085) 13.957 19.934 ( 2.167 1.042 -1.035) 2.618 19.984 ( -0.831 -2.639 -1.316) 3.064 20.342 ( -0.168 -0.179 -0.349) 0.427 ======================= Grid point 204 (105/294) ======================= q-point: ( 0.58 0.33 0.08) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.255 ( -6.709 3.075 4.644) 8.720 2.496 ( 1.662 6.007 -0.279) 6.238 2.790 ( 3.690 6.270 6.600) 9.823 3.145 ( -1.341 -2.185 -4.393) 5.087 3.647 ( -0.531 -12.540 -3.989) 13.170 4.026 ( 7.706 -1.102 -2.633) 8.217 4.544 ( 4.446 5.585 0.062) 7.139 5.160 ( -0.995 1.371 1.177) 2.063 5.600 ( -11.930 -13.400 -0.705) 17.955 6.864 ( 19.751 28.845 4.574) 35.257 8.009 ( -3.743 -2.347 1.873) 4.799 8.450 ( -6.706 -8.398 0.038) 10.747 8.912 ( 3.381 4.845 1.857) 6.193 9.545 ( -3.949 -10.147 -1.725) 11.024 9.986 ( -4.437 -2.427 -0.265) 5.065 10.069 ( -4.710 7.287 -2.823) 9.124 10.375 ( 6.408 -3.355 1.537) 7.395 11.233 ( 8.083 2.979 -3.802) 9.416 12.488 ( -3.411 -5.167 -1.612) 6.398 13.625 ( 9.415 7.428 -2.535) 12.258 14.144 ( -13.099 3.298 1.211) 13.562 15.067 ( 6.689 6.414 13.987) 16.779 15.156 ( -3.228 -2.363 8.484) 9.380 16.339 ( -11.556 -10.564 0.697) 15.672 16.753 ( -3.113 9.169 -13.696) 16.773 17.569 ( 4.445 9.335 8.697) 13.511 18.214 ( 6.075 -11.921 -6.564) 14.904 19.943 ( -0.375 -2.470 -0.854) 2.641 19.971 ( 1.975 1.040 -1.098) 2.488 20.322 ( -1.550 -0.416 -0.179) 1.615 ======================= Grid point 205 (106/294) ======================= q-point: (-0.33 0.33 0.08) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.185 ( -4.666 -3.023 5.347) 7.713 2.586 ( 0.617 6.782 -0.501) 6.829 2.894 ( -0.125 2.340 2.942) 3.761 3.074 ( -3.592 2.593 -2.571) 5.122 3.534 ( 3.064 -9.214 -2.684) 10.074 4.125 ( 7.565 -0.910 -4.285) 8.742 4.630 ( -8.162 14.541 2.180) 16.817 5.232 ( -1.124 -4.622 -1.515) 4.992 5.298 ( 3.898 -13.078 1.676) 13.749 7.407 ( 11.461 22.778 1.335) 25.534 7.935 ( -4.504 -1.440 3.818) 6.078 8.163 ( -10.410 -12.051 -3.480) 16.300 9.067 ( 2.312 7.009 2.287) 7.727 9.375 ( -1.541 -9.641 -1.497) 9.878 9.910 ( -2.337 0.110 -0.418) 2.377 10.074 ( -0.832 4.968 0.264) 5.044 10.466 ( 6.026 -3.092 1.293) 6.895 11.326 ( 3.207 2.202 -4.529) 5.970 12.400 ( -0.380 -4.578 -1.405) 4.804 13.792 ( 2.765 6.739 -0.287) 7.290 13.965 ( -8.422 0.097 0.261) 8.426 14.974 ( -8.671 -15.185 13.931) 22.357 15.408 ( 5.283 14.060 2.860) 15.290 16.073 ( -4.814 -11.278 -1.057) 12.308 16.708 ( -6.491 9.720 -7.546) 13.913 17.765 ( 3.518 5.100 9.961) 11.730 18.207 ( 9.116 -4.506 -10.405) 14.549 19.918 ( 0.295 -1.987 -0.127) 2.013 20.005 ( 1.771 0.979 -1.261) 2.385 20.288 ( -2.102 -0.607 0.697) 2.296 ======================= Grid point 206 (107/294) ======================= q-point: (-0.25 0.33 0.08) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.113 ( -3.882 -4.501 6.027) 8.465 2.584 ( -3.181 0.311 -3.545) 4.773 2.849 ( -5.536 -3.348 -1.459) 6.632 3.111 ( 0.963 10.728 2.418) 11.039 3.556 ( 6.744 -2.776 -0.379) 7.303 4.201 ( 5.770 -0.794 -4.972) 7.658 4.576 ( -14.031 11.141 2.377) 18.073 4.980 ( -7.474 -11.830 5.058) 14.879 5.532 ( 19.154 -1.312 -3.226) 19.468 7.346 ( -31.597 2.487 0.259) 31.695 7.997 ( 5.343 -7.560 -3.465) 9.885 8.095 ( 13.207 11.290 1.674) 17.455 8.996 ( -11.061 -3.022 1.095) 11.518 9.424 ( 10.355 0.018 -0.265) 10.358 9.908 ( 1.544 -0.104 1.257) 1.994 10.141 ( 2.729 4.658 1.262) 5.544 10.495 ( 1.150 -4.899 -0.414) 5.049 11.331 ( -2.272 2.441 -3.430) 4.784 12.383 ( 2.681 -2.372 0.327) 3.595 13.761 ( -7.640 2.699 0.829) 8.145 13.987 ( 6.056 0.691 0.625) 6.128 14.760 ( -7.557 -11.519 5.511) 14.838 15.361 ( -19.273 0.325 1.684) 19.349 16.114 ( 15.284 -1.441 -0.347) 15.356 16.637 ( -8.970 6.237 0.529) 10.938 17.859 ( 5.313 -6.898 1.405) 8.819 18.322 ( 7.764 9.390 -7.542) 14.329 19.913 ( 0.719 -1.255 0.688) 1.602 20.032 ( 1.538 0.892 -1.542) 2.354 20.255 ( -1.809 -1.075 2.217) 3.057 ======================= Grid point 207 (108/294) ======================= q-point: (-0.17 0.33 0.08) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.029 ( -7.556 -2.007 6.781) 10.349 2.506 ( -2.087 -3.009 -4.738) 5.988 2.653 ( -9.970 -6.228 -1.141) 11.810 3.270 ( 5.693 6.598 0.237) 8.717 3.661 ( 2.530 6.074 2.275) 6.962 4.230 ( 2.005 -2.522 -3.473) 4.737 4.474 ( -4.596 1.965 2.214) 5.467 4.869 ( -4.123 -1.556 8.769) 9.814 5.785 ( 15.301 -0.743 -5.280) 16.203 6.748 ( -40.272 0.534 0.312) 40.277 8.012 ( 4.765 -2.602 -3.554) 6.489 8.424 ( 10.523 7.267 1.096) 12.836 8.804 ( -6.383 -3.035 1.172) 7.165 9.599 ( 9.842 0.875 -0.130) 9.881 9.964 ( 4.493 -0.806 1.882) 4.937 10.250 ( 5.795 0.357 0.895) 5.875 10.403 ( -5.172 -3.531 -3.324) 7.089 11.271 ( -6.889 3.526 -0.362) 7.748 12.441 ( 3.909 1.040 2.711) 4.869 13.681 ( -5.015 -0.312 0.698) 5.073 14.077 ( 5.205 -3.721 -0.103) 6.399 14.616 ( -1.079 -5.962 1.429) 6.225 14.991 ( -24.039 0.424 1.786) 24.109 16.345 ( 9.540 -0.810 0.193) 9.576 16.565 ( -4.253 2.600 5.744) 7.605 17.841 ( 6.278 -12.161 -8.080) 15.893 18.518 ( 5.325 15.526 -4.680) 17.068 19.923 ( 0.637 -0.349 1.278) 1.470 20.054 ( 1.351 0.774 -1.740) 2.335 20.234 ( -1.048 -2.154 3.936) 4.608 ======================= Grid point 208 (109/294) ======================= q-point: (-0.08 0.33 0.08) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.907 ( -11.698 1.672 7.648) 14.075 2.252 ( -18.186 -8.059 -0.793) 19.908 2.589 ( 4.944 0.010 -3.154) 5.864 3.390 ( 8.261 -4.459 -2.710) 9.771 3.756 ( -4.229 13.694 4.968) 15.169 4.203 ( 0.618 -4.384 0.295) 4.437 4.493 ( 3.213 -1.975 0.242) 3.780 4.878 ( -2.959 3.113 10.374) 11.229 5.941 ( 6.306 -0.087 -5.035) 8.070 6.136 ( -33.856 3.677 0.713) 34.063 8.041 ( 1.499 0.883 -3.374) 3.796 8.463 ( -7.581 1.182 2.294) 8.008 8.873 ( 13.063 -0.756 0.727) 13.105 9.746 ( 6.422 1.576 -0.104) 6.613 10.049 ( 7.478 -5.474 1.777) 9.436 10.163 ( -7.914 -5.569 -6.590) 11.708 10.419 ( 6.683 2.837 -0.161) 7.262 11.181 ( -9.507 4.785 2.855) 11.020 12.549 ( 3.383 4.707 4.475) 7.323 13.544 ( -7.771 -8.884 -1.439) 11.890 14.034 ( -7.131 -0.630 -4.656) 8.540 14.663 ( 8.964 -0.948 3.333) 9.610 14.710 ( -12.592 2.573 5.462) 13.964 16.320 ( -8.301 -1.888 5.109) 9.929 16.684 ( 10.086 -0.447 3.506) 10.687 17.761 ( 5.480 -10.899 -14.429) 18.895 18.714 ( 3.847 15.123 -4.505) 16.242 19.939 ( 0.168 0.638 1.382) 1.531 20.073 ( 1.311 0.579 -1.651) 2.186 20.219 ( -0.611 -4.090 5.076) 6.547 ======================= Grid point 211 (110/294) ======================= q-point: ( 0.17 0.42 0.08) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.089 ( -2.652 8.253 11.335) 14.270 2.170 ( 2.542 17.646 7.197) 19.226 2.760 ( -0.978 4.129 -0.362) 4.258 3.185 ( 4.834 -8.763 -0.574) 10.024 3.797 ( -6.828 -10.241 -6.616) 13.974 4.155 ( -19.412 2.976 4.805) 20.218 4.261 ( 7.976 4.665 1.161) 9.313 4.841 ( -4.155 -9.115 1.767) 10.172 5.986 ( -11.257 14.007 2.758) 18.180 6.132 ( 5.178 5.225 3.141) 7.999 8.092 ( -1.940 4.538 -1.427) 5.138 8.452 ( -2.504 3.469 2.887) 5.162 9.144 ( 10.668 -11.499 0.492) 15.693 9.576 ( -1.574 5.577 -0.842) 5.856 9.953 ( 0.671 -1.900 -1.117) 2.304 10.076 ( 0.546 -2.887 -3.069) 4.249 10.598 ( 8.769 -6.636 0.696) 11.019 11.038 ( -10.077 2.754 -4.190) 11.256 12.425 ( -11.194 -8.439 0.395) 14.024 13.314 ( 8.095 16.347 -6.319) 19.305 14.175 ( -10.019 21.989 6.791) 25.100 14.473 ( -6.725 -3.416 2.377) 7.908 15.205 ( 8.077 -7.555 14.056) 17.886 16.093 ( -5.764 2.490 3.084) 6.995 16.988 ( 4.042 -2.754 6.399) 8.054 17.491 ( 14.379 -1.291 -18.110) 23.161 18.931 ( -2.204 -3.334 -5.186) 6.547 19.872 ( -3.891 -3.199 -1.511) 5.259 20.084 ( 0.448 -0.757 -0.740) 1.150 20.141 ( 1.345 0.019 4.510) 4.706 ======================= Grid point 212 (111/294) ======================= q-point: ( 0.25 0.42 0.08) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.214 ( 0.224 7.667 14.264) 16.195 2.445 ( 6.462 13.224 2.343) 14.904 2.755 ( -5.580 3.568 4.367) 7.934 3.146 ( -3.400 -0.004 -6.685) 7.499 3.586 ( 1.203 -12.291 -6.363) 13.893 3.905 ( -20.157 9.029 10.010) 24.250 4.485 ( 13.552 2.981 1.556) 13.963 4.708 ( -0.431 -12.181 -1.506) 12.282 5.940 ( -11.099 11.700 2.076) 16.260 6.275 ( 2.614 6.087 4.108) 7.795 8.093 ( -1.990 4.055 -1.288) 4.697 8.459 ( -2.682 3.524 2.187) 4.939 9.144 ( 3.757 -11.731 0.185) 12.320 9.686 ( 6.509 4.449 0.633) 7.910 9.861 ( -8.213 2.121 -3.401) 9.139 10.094 ( 6.684 -4.055 -0.472) 7.832 10.651 ( 6.588 -10.150 -0.274) 12.104 10.880 ( -10.138 4.063 -3.753) 11.549 12.255 ( -2.801 -2.088 -0.430) 3.520 13.526 ( 0.545 11.922 -1.277) 12.003 14.272 ( -8.099 27.079 5.233) 28.745 14.417 ( -0.429 4.177 -1.288) 4.392 15.267 ( 2.757 -12.044 10.131) 15.979 16.103 ( -0.797 5.612 6.460) 8.594 17.031 ( 0.991 -1.977 4.191) 4.738 17.607 ( 12.730 -3.795 -16.422) 21.123 18.764 ( -6.274 -12.637 -2.170) 14.275 19.801 ( -1.206 -0.172 -1.490) 1.925 20.074 ( 0.087 -1.350 -0.766) 1.554 20.197 ( 1.795 1.222 3.578) 4.186 ======================= Grid point 213 (112/294) ======================= q-point: ( 0.33 0.42 0.08) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.372 ( 1.216 6.697 9.808) 11.939 2.559 ( -1.912 0.482 -3.790) 4.272 2.709 ( -10.603 8.866 13.860) 19.573 3.028 ( -3.063 1.980 -10.198) 10.830 3.577 ( 11.454 -8.364 -6.178) 15.470 3.792 ( -8.426 3.015 9.072) 12.743 4.552 ( -0.470 -13.179 -2.466) 13.416 4.815 ( 15.191 10.203 5.119) 19.002 5.878 ( -10.508 12.505 0.135) 16.334 6.348 ( -3.156 4.343 3.901) 6.636 8.096 ( -1.750 4.673 -0.120) 4.992 8.452 ( -2.784 2.507 0.760) 3.823 9.075 ( 1.161 -11.559 0.840) 11.648 9.758 ( -4.295 3.458 -3.501) 6.532 9.799 ( 5.023 -1.792 -0.081) 5.334 10.201 ( 7.904 -1.193 1.119) 8.071 10.614 ( 2.682 -10.956 -2.327) 11.517 10.762 ( -8.242 6.675 -1.012) 10.654 12.292 ( 6.912 2.202 -0.371) 7.264 13.488 ( -12.272 4.847 -0.097) 13.195 14.441 ( -7.668 20.324 6.101) 22.563 14.584 ( 12.146 17.968 -3.199) 21.923 15.208 ( -2.253 -8.602 4.930) 10.167 16.222 ( 3.634 4.164 8.736) 10.338 17.050 ( 0.342 -0.472 4.079) 4.120 17.603 ( 3.595 -7.303 -16.649) 18.533 18.506 ( -6.877 -16.255 1.456) 17.710 19.809 ( 1.794 1.537 -1.363) 2.727 20.051 ( -0.401 -1.947 -0.963) 2.209 20.256 ( 2.073 1.007 2.247) 3.219 ======================= Grid point 214 (113/294) ======================= q-point: ( 0.42 0.42 0.08) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.370 ( -5.466 1.247 -4.439) 7.151 2.560 ( -2.540 10.254 5.737) 12.021 2.723 ( -6.220 5.467 11.912) 14.508 2.998 ( 3.952 -2.882 -4.936) 6.949 3.648 ( 9.159 -7.370 -8.006) 14.223 3.759 ( -0.550 -2.581 6.418) 6.940 4.408 ( -0.372 -11.763 -2.743) 12.085 5.190 ( 11.632 8.842 6.379) 15.943 5.895 ( -2.287 19.131 -0.897) 19.288 6.285 ( -10.445 2.413 3.314) 11.220 8.134 ( -0.729 6.252 1.983) 6.599 8.420 ( -1.414 -1.322 -1.014) 2.185 8.988 ( -0.305 -9.146 1.473) 9.269 9.724 ( -1.028 -0.669 -2.598) 2.873 9.856 ( 4.639 -0.269 0.472) 4.671 10.251 ( 1.613 -7.436 -0.514) 7.626 10.532 ( -2.760 -3.845 -2.435) 5.323 10.768 ( 1.927 7.860 0.011) 8.093 12.475 ( 10.978 1.829 1.074) 11.181 13.309 ( -10.522 3.478 -4.202) 11.852 14.522 ( -8.098 18.007 4.764) 20.311 14.937 ( 10.440 7.455 8.323) 15.292 15.123 ( -4.715 4.407 -2.311) 6.856 16.376 ( 6.249 3.248 5.055) 8.669 17.070 ( -2.500 -2.849 9.050) 9.812 17.420 ( -2.859 -5.534 -19.436) 20.410 18.292 ( -2.890 -14.914 3.210) 15.527 19.856 ( 2.507 1.628 -1.002) 3.153 20.015 ( -0.890 -2.362 -1.063) 2.739 20.303 ( 1.837 0.191 0.683) 1.969 ======================= Grid point 215 (114/294) ======================= q-point: ( 0.50 0.42 0.08) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.331 ( 0.200 5.222 -3.500) 6.290 2.611 ( -4.811 6.208 1.277) 7.957 2.747 ( -3.786 5.701 10.626) 12.639 3.027 ( 6.120 -4.527 -2.515) 8.017 3.617 ( 2.942 -11.652 -2.435) 12.262 3.816 ( 5.232 0.061 -0.088) 5.233 4.316 ( 3.736 -8.387 -2.607) 9.544 5.336 ( -2.366 4.130 2.894) 5.570 5.998 ( -8.148 -5.272 -2.298) 9.973 6.320 ( 7.284 28.973 5.971) 30.466 8.159 ( -4.468 2.062 2.353) 5.454 8.413 ( 4.262 -2.461 -0.129) 4.923 8.914 ( -1.294 -4.860 1.221) 5.176 9.653 ( -2.578 -5.560 -2.196) 6.510 9.964 ( 5.440 2.921 1.462) 6.345 10.162 ( -0.288 -8.367 -1.422) 8.492 10.419 ( -7.245 0.145 -2.280) 7.597 10.928 ( 8.268 5.998 -0.925) 10.256 12.597 ( 1.354 -3.612 1.975) 4.333 13.262 ( 4.961 6.474 -6.254) 10.278 14.534 ( -9.370 8.873 0.829) 12.931 15.049 ( -4.241 7.956 10.413) 13.774 15.203 ( 2.125 3.836 5.089) 6.718 16.528 ( 5.038 4.227 -1.316) 6.707 16.894 ( -10.681 -10.510 -3.122) 15.306 17.383 ( 5.832 7.427 -4.913) 10.645 18.148 ( -1.016 -13.873 2.961) 14.222 19.903 ( 2.136 1.454 -0.930) 2.746 19.970 ( -1.060 -2.453 -0.758) 2.778 20.325 ( 1.035 -0.576 -0.504) 1.287 ======================= Grid point 216 (115/294) ======================= q-point: ( 0.58 0.42 0.08) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.389 ( -1.782 4.343 1.574) 4.952 2.553 ( -3.952 3.904 -1.916) 5.877 2.837 ( 1.709 4.698 7.263) 8.817 3.067 ( 4.577 -2.546 -3.359) 6.222 3.515 ( -0.164 -12.016 -2.553) 12.285 3.904 ( 5.376 0.469 0.112) 5.397 4.383 ( 12.601 -2.004 -1.702) 12.872 5.308 ( -6.810 5.092 1.894) 8.712 5.699 ( -15.339 -9.975 -1.654) 18.372 6.845 ( 17.361 26.191 3.952) 31.670 8.071 ( -5.347 -2.476 0.397) 5.906 8.440 ( -0.066 -7.329 3.501) 8.122 8.908 ( 2.470 3.836 -0.581) 4.600 9.518 ( -4.648 -7.987 -1.683) 9.393 10.009 ( -1.874 -2.440 0.852) 3.192 10.164 ( 4.113 2.535 -1.004) 4.935 10.295 ( -4.489 -1.017 -1.117) 4.736 11.105 ( 8.551 3.347 -1.960) 9.389 12.504 ( -5.121 -6.082 0.128) 7.951 13.473 ( 13.467 7.057 -4.283) 15.795 14.390 ( -12.879 2.089 -2.519) 13.289 15.177 ( -2.255 -3.876 22.699) 23.138 15.223 ( -0.909 11.303 -2.899) 11.704 16.424 ( -11.822 -13.435 0.784) 17.913 16.770 ( 2.442 11.266 -16.910) 20.466 17.601 ( 8.300 9.649 7.532) 14.789 18.024 ( 0.288 -12.701 0.154) 12.705 19.919 ( -0.198 -1.782 -1.438) 2.298 19.953 ( 1.204 0.833 0.194) 1.477 20.321 ( 0.052 -1.069 -1.008) 1.471 ======================= Grid point 217 (116/294) ======================= q-point: ( 0.67 0.42 0.08) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.295 ( -8.652 -2.291 2.536) 9.303 2.616 ( 2.829 6.858 -1.186) 7.512 2.918 ( 0.482 -0.682 2.416) 2.557 3.107 ( 1.924 4.456 -1.276) 5.019 3.386 ( 1.174 -10.713 -2.806) 11.136 4.003 ( 5.509 1.294 0.244) 5.664 4.645 ( 18.014 3.464 -1.056) 18.375 5.240 ( -6.195 -3.001 2.272) 7.249 5.337 ( -16.895 -4.010 -1.619) 17.440 7.359 ( 17.695 17.328 1.493) 24.811 7.985 ( -2.244 -0.642 -0.443) 2.376 8.270 ( -12.815 -9.604 3.077) 16.307 9.052 ( 7.965 6.882 -0.894) 10.564 9.343 ( -6.367 -8.516 -0.634) 10.652 9.947 ( -2.881 -1.476 -0.516) 3.278 10.162 ( -4.617 4.120 0.329) 6.197 10.336 ( 7.501 -1.930 0.421) 7.757 11.240 ( 6.577 1.419 -1.978) 7.013 12.377 ( -2.918 -5.049 -0.476) 5.851 13.714 ( 10.307 5.499 -2.886) 12.034 14.168 ( -13.510 1.005 -2.213) 13.727 15.030 ( -7.782 -15.626 10.109) 20.173 15.474 ( 6.729 17.839 4.088) 19.499 16.087 ( -11.860 -14.286 -1.746) 18.649 16.820 ( -0.941 11.558 -12.167) 16.808 17.799 ( -0.597 -6.672 15.072) 16.494 18.007 ( 10.266 6.195 -7.338) 14.058 19.893 ( 0.201 -1.948 -0.315) 1.984 19.985 ( 1.337 1.321 -0.391) 1.920 20.299 ( -0.662 -1.455 -0.753) 1.767 ======================= Grid point 218 (117/294) ======================= q-point: (-0.25 0.42 0.08) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.166 ( -4.805 -3.079 1.797) 5.984 2.660 ( -4.894 3.746 -0.762) 6.210 2.864 ( -1.971 -5.554 -0.860) 5.956 3.173 ( -0.102 3.399 0.826) 3.500 3.402 ( 9.886 -0.249 -1.194) 9.961 4.105 ( 4.625 2.441 0.402) 5.245 4.835 ( -6.971 -9.561 -0.074) 11.832 5.051 ( 2.157 3.578 1.318) 4.381 5.245 ( 1.774 3.242 -1.045) 3.841 7.702 ( 10.591 2.917 -0.693) 11.007 7.899 ( -22.718 -9.086 1.514) 24.515 8.043 ( 6.189 9.946 -0.972) 11.755 9.145 ( -9.577 -5.534 0.981) 11.104 9.248 ( 10.377 2.888 -1.335) 10.854 9.898 ( -0.920 -0.952 -0.577) 1.444 10.166 ( -0.320 2.364 2.982) 3.819 10.416 ( 4.137 -1.577 -1.283) 4.609 11.323 ( 3.348 0.764 -0.502) 3.471 12.329 ( 1.472 -1.898 0.037) 2.402 13.848 ( 2.083 0.112 -0.850) 2.252 13.986 ( -7.255 2.475 -0.974) 7.728 14.798 ( -7.994 -12.152 2.238) 14.717 15.682 ( -14.317 6.951 1.721) 16.008 15.852 ( 11.666 -6.298 -0.655) 13.273 16.811 ( -5.054 6.855 -4.600) 9.679 17.721 ( -0.241 -13.583 4.998) 14.475 18.278 ( 9.733 15.363 -2.114) 18.309 19.889 ( 1.091 -1.332 0.532) 1.802 20.014 ( 1.102 1.259 -0.691) 1.810 20.268 ( -0.837 -2.034 0.215) 2.210 ======================= Grid point 219 (118/294) ======================= q-point: (-0.17 0.42 0.08) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.106 ( -1.996 -1.167 1.589) 2.805 2.544 ( -7.600 -0.591 -1.186) 7.715 2.752 ( -6.781 -4.973 0.516) 8.425 3.187 ( 3.132 -4.403 -0.767) 5.457 3.633 ( 11.526 9.103 -0.502) 14.696 4.197 ( 1.785 3.919 1.459) 4.547 4.531 ( -8.476 -15.217 0.823) 17.438 5.097 ( -10.918 13.888 6.744) 18.909 5.452 ( 19.918 -1.432 -6.552) 21.017 7.378 ( -34.456 -0.665 1.193) 34.484 7.837 ( 10.168 -5.460 -1.821) 11.684 8.296 ( 11.633 8.993 -1.608) 14.792 8.941 ( -10.586 -4.024 2.009) 11.502 9.430 ( 10.479 1.305 -0.991) 10.606 9.896 ( 2.289 -2.056 0.080) 3.078 10.193 ( 0.670 -2.405 1.666) 3.001 10.430 ( -0.425 1.597 -2.419) 2.930 11.359 ( -0.582 1.303 1.871) 2.354 12.391 ( 5.230 2.275 1.209) 5.830 13.760 ( -6.439 -5.292 2.337) 8.656 13.990 ( 2.268 0.916 -1.613) 2.930 14.602 ( -4.310 -6.812 -1.303) 8.166 15.380 ( -20.084 0.578 -0.553) 20.100 16.107 ( 15.332 1.126 0.034) 15.374 16.737 ( -7.721 1.396 2.359) 8.194 17.621 ( 1.824 -12.567 -1.403) 12.776 18.549 ( 6.836 16.111 -2.957) 17.749 19.908 ( 1.597 -0.449 1.204) 2.049 20.037 ( 0.848 1.087 -0.956) 1.678 20.237 ( -0.579 -3.102 1.570) 3.525 ======================= Grid point 220 (119/294) ======================= q-point: (-0.08 0.42 0.08) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.057 ( -5.035 -0.306 0.890) 5.122 2.447 ( -5.771 -0.270 0.580) 5.807 2.570 ( -8.030 -2.668 2.575) 8.845 3.192 ( 6.038 -8.740 -2.014) 10.813 3.876 ( 7.096 9.016 -1.816) 11.616 4.184 ( -5.234 -2.648 1.658) 6.096 4.407 ( 3.765 -4.490 2.049) 6.208 5.088 ( -8.566 10.091 7.959) 15.445 5.695 ( 15.578 -1.092 -6.855) 17.055 6.809 ( -37.558 4.400 1.886) 37.862 7.948 ( 8.596 -1.785 -1.676) 8.938 8.511 ( 7.151 2.645 -1.640) 7.799 8.779 ( -5.225 -1.852 2.835) 6.227 9.604 ( 10.634 0.049 -0.459) 10.644 9.916 ( 3.122 -5.105 0.275) 5.991 10.134 ( -1.365 -5.830 -4.071) 7.240 10.437 ( -1.365 5.045 -0.295) 5.235 11.349 ( -4.499 2.236 3.240) 5.978 12.537 ( 6.301 5.824 2.025) 8.816 13.580 ( -8.435 -10.850 0.985) 13.778 14.017 ( 2.208 -0.448 -2.213) 3.158 14.558 ( 4.311 -2.235 3.127) 5.775 15.082 ( -20.290 6.589 0.661) 21.343 16.312 ( 8.761 -1.590 -1.619) 9.050 16.648 ( -3.816 -2.182 7.124) 8.371 17.527 ( 2.688 -9.998 -7.219) 12.621 18.763 ( 4.250 14.666 -4.823) 16.013 19.942 ( 1.376 0.590 1.561) 2.163 20.052 ( 0.757 0.782 -1.271) 1.673 20.206 ( -0.371 -4.794 2.787) 5.558 ======================= Grid point 223 (120/294) ======================= q-point: ( 0.17 0.50 0.08) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.179 ( 4.346 10.188 0.745) 11.101 2.330 ( -4.211 3.558 9.737) 11.189 2.816 ( 3.377 5.629 -0.578) 6.589 3.015 ( 5.737 -6.819 2.505) 9.257 3.822 ( -9.030 -6.459 -4.356) 11.926 4.041 ( 6.268 -0.847 -0.501) 6.345 4.401 ( -1.118 -1.375 -4.382) 4.727 5.069 ( -19.627 1.251 7.476) 21.040 5.887 ( 11.405 -6.482 -2.809) 13.415 6.534 ( -17.459 24.255 5.031) 30.305 8.107 ( 3.570 -1.366 -0.846) 3.915 8.539 ( -1.964 3.257 1.947) 4.273 8.873 ( 9.497 -7.123 0.590) 11.886 9.603 ( 0.377 -3.796 -0.845) 3.907 9.831 ( 4.284 -1.420 1.386) 4.721 10.091 ( 1.522 2.062 -3.762) 4.552 10.489 ( -0.641 -2.434 2.276) 3.394 11.178 ( -7.436 2.400 -7.010) 10.497 12.535 ( -11.422 -9.312 0.948) 14.767 13.296 ( 7.613 15.621 -6.679) 18.616 14.259 ( 8.275 -0.462 6.666) 10.636 14.706 ( -8.430 0.720 7.840) 11.534 15.202 ( -2.679 3.255 15.566) 16.127 16.189 ( -2.187 -0.024 1.029) 2.417 16.901 ( 10.104 -1.601 6.041) 11.881 17.205 ( 4.668 0.751 -16.815) 17.467 18.920 ( -3.545 -2.192 -7.001) 8.148 19.898 ( -3.629 -3.004 -1.024) 4.821 20.064 ( 0.586 -0.219 -1.319) 1.460 20.141 ( 1.778 0.401 3.849) 4.259 ======================= Grid point 224 (121/294) ======================= q-point: ( 0.25 0.50 0.08) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.295 ( 2.146 0.685 9.587) 9.848 2.455 ( 4.190 10.538 -1.622) 11.455 2.896 ( -2.108 7.117 2.641) 7.878 3.082 ( 8.594 -4.103 1.661) 9.667 3.551 ( -11.868 -7.490 -5.911) 15.228 4.103 ( -0.299 -1.835 -0.230) 1.873 4.402 ( 5.254 1.270 -0.646) 5.444 4.791 ( -17.569 1.114 5.817) 18.541 5.968 ( 7.832 -6.601 -3.681) 10.884 6.554 ( -12.871 24.168 6.373) 28.114 8.122 ( 0.627 0.134 -1.787) 1.899 8.549 ( -2.459 2.710 2.291) 4.317 8.943 ( 7.491 -8.969 0.560) 11.700 9.611 ( 4.642 -3.731 0.144) 5.957 9.893 ( 3.204 -1.707 1.409) 3.894 10.063 ( -4.042 4.183 -3.263) 6.669 10.482 ( 3.394 -6.470 0.292) 7.312 11.050 ( -7.999 5.137 -5.768) 11.120 12.312 ( -7.304 -4.331 0.638) 8.515 13.554 ( 8.065 14.701 -4.103) 17.262 14.384 ( 4.958 -4.616 4.908) 8.365 14.651 ( -7.962 12.403 5.798) 15.838 15.248 ( -2.488 -1.956 13.749) 14.109 16.190 ( -0.509 1.535 4.579) 4.856 17.028 ( 1.374 -0.492 8.418) 8.543 17.258 ( 13.745 0.443 -21.708) 25.698 18.746 ( -6.709 -9.741 -4.897) 12.801 19.823 ( -2.423 -0.603 -0.766) 2.612 20.056 ( 0.070 -0.996 -1.176) 1.543 20.199 ( 1.758 1.238 3.148) 3.812 ======================= Grid point 225 (122/294) ======================= q-point: ( 0.33 0.50 0.08) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.395 ( 3.613 -0.149 5.083) 6.238 2.577 ( 2.308 6.546 0.104) 6.941 2.898 ( -4.857 3.006 4.196) 7.087 3.205 ( -8.356 5.705 -1.206) 10.189 3.282 ( 6.424 -11.806 -5.407) 14.488 3.995 ( -9.521 -1.741 3.620) 10.334 4.445 ( -1.732 -7.951 -1.775) 8.328 4.769 ( 6.913 13.008 6.082) 15.937 5.977 ( 2.880 -4.210 -4.284) 6.661 6.609 ( -11.482 20.662 5.867) 24.355 8.127 ( 0.940 1.041 -1.751) 2.244 8.518 ( -3.547 -1.794 1.282) 4.176 8.956 ( 2.964 -6.157 0.668) 6.866 9.653 ( 6.318 -7.983 0.735) 10.207 9.861 ( -5.004 2.230 -3.246) 6.368 10.114 ( 4.478 4.175 2.305) 6.542 10.460 ( 3.099 -8.312 -1.573) 9.009 10.954 ( -7.905 7.033 -2.920) 10.977 12.246 ( 0.888 1.058 0.325) 1.419 13.675 ( -5.380 4.422 -0.553) 6.986 14.487 ( 10.242 4.130 0.401) 11.050 14.725 ( -2.406 11.211 4.499) 12.317 15.258 ( -3.914 2.495 9.737) 10.787 16.244 ( 2.248 -0.231 6.511) 6.892 17.076 ( -0.052 3.526 3.796) 5.182 17.341 ( 9.564 -3.416 -18.077) 20.734 18.486 ( -8.190 -14.490 -1.321) 16.697 19.805 ( -0.003 1.484 -0.394) 1.535 20.035 ( -0.368 -1.568 -1.127) 1.966 20.252 ( 1.408 1.080 2.304) 2.908 ======================= Grid point 226 (123/294) ======================= q-point: ( 0.42 0.50 0.08) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.421 ( -2.001 1.961 -3.658) 4.608 2.676 ( 0.748 4.813 4.995) 6.977 2.875 ( -2.443 0.906 4.613) 5.298 2.980 ( -7.670 -3.884 -2.446) 8.939 3.401 ( 9.722 -3.529 -3.683) 10.979 3.860 ( -8.075 -0.223 6.000) 10.063 4.300 ( -2.345 -9.759 -2.954) 10.462 5.120 ( 12.855 12.265 5.773) 18.681 5.966 ( 2.620 -0.726 -4.330) 5.113 6.610 ( -13.959 17.639 4.495) 22.939 8.168 ( 3.112 2.529 -0.378) 4.027 8.412 ( -3.690 -7.972 -0.633) 8.807 8.944 ( -0.310 -1.837 0.977) 2.104 9.669 ( 4.487 -8.812 0.942) 9.933 9.816 ( -1.146 4.493 -3.050) 5.550 10.186 ( 0.191 -3.233 0.828) 3.343 10.456 ( 4.609 -3.390 0.749) 5.770 10.894 ( -5.970 8.001 -2.077) 10.196 12.350 ( 7.833 3.676 0.559) 8.670 13.501 ( -13.472 -1.569 -1.625) 13.660 14.701 ( 2.793 5.411 -1.855) 6.366 14.860 ( 9.967 5.243 7.438) 13.496 15.291 ( -5.436 12.006 5.033) 14.107 16.323 ( 4.997 -1.651 4.404) 6.862 17.151 ( -0.941 3.642 9.904) 10.594 17.265 ( 0.892 -3.959 -23.647) 23.993 18.237 ( -5.091 -14.677 2.800) 15.785 19.836 ( 1.582 2.114 0.002) 2.640 20.003 ( -0.836 -1.942 -0.976) 2.329 20.288 ( 0.971 0.479 1.115) 1.554 ======================= Grid point 227 (124/294) ======================= q-point: ( 0.50 0.50 0.08) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.379 ( -2.713 6.510 -5.458) 8.918 2.706 ( -2.609 -0.569 4.203) 4.980 2.875 ( -0.829 -2.525 3.991) 4.794 2.912 ( 1.831 0.789 -2.103) 2.898 3.454 ( 4.358 -6.424 -1.001) 7.827 3.820 ( -2.128 2.758 5.228) 6.282 4.177 ( 0.646 -8.329 -3.313) 8.987 5.376 ( 4.217 5.091 3.016) 7.266 5.998 ( 2.242 -1.972 -3.115) 4.315 6.598 ( -7.993 20.202 3.855) 22.065 8.246 ( -3.773 -0.743 -0.305) 3.858 8.283 ( 5.768 -6.641 0.301) 8.802 8.920 ( -1.910 0.021 0.346) 1.941 9.632 ( -0.931 -5.570 -0.568) 5.676 9.884 ( 5.951 3.075 -0.552) 6.721 10.106 ( -2.224 -6.711 -0.710) 7.106 10.490 ( -1.460 -0.485 2.295) 2.763 10.909 ( 0.864 7.059 -2.277) 7.467 12.520 ( 6.975 1.169 1.433) 7.216 13.289 ( -7.060 0.193 -3.339) 7.812 14.683 ( -4.731 2.841 -5.842) 8.036 15.117 ( 9.228 -3.474 13.954) 17.086 15.348 ( -6.135 15.447 2.301) 16.779 16.440 ( 7.976 2.447 -1.540) 8.484 16.948 ( -11.692 -11.765 -8.808) 18.780 17.336 ( 6.396 11.603 -2.941) 13.572 18.078 ( -2.244 -12.855 5.937) 14.337 19.885 ( 1.734 2.014 0.119) 2.660 19.963 ( -1.115 -2.037 -0.521) 2.380 20.304 ( 0.570 -0.246 -0.199) 0.652 ======================= Grid point 228 (125/294) ======================= q-point: ( 0.58 0.50 0.08) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.430 ( 2.286 9.071 -3.186) 9.882 2.639 ( -5.311 -2.954 0.501) 6.098 2.857 ( 1.251 -3.684 0.348) 3.906 2.966 ( 4.299 1.410 -0.116) 4.526 3.426 ( -0.820 -6.407 1.997) 6.761 3.875 ( 1.764 2.848 4.024) 5.236 4.165 ( 7.894 -3.703 -2.867) 9.179 5.407 ( -2.821 -1.258 0.279) 3.101 5.874 ( -11.774 -2.042 -1.269) 12.016 6.836 ( 10.748 16.723 2.532) 20.040 8.109 ( -4.006 -5.624 -2.212) 7.250 8.378 ( 4.098 -2.480 4.567) 6.618 8.906 ( 0.149 2.408 -1.795) 3.007 9.532 ( -4.833 -4.135 -0.989) 6.437 10.016 ( -1.630 -3.144 -0.322) 3.556 10.037 ( 8.983 0.812 0.648) 9.043 10.419 ( -7.578 0.651 1.103) 7.685 11.010 ( 5.873 3.537 -1.538) 7.026 12.531 ( -3.898 -5.162 1.312) 6.600 13.321 ( 9.022 5.940 -3.240) 11.277 14.557 ( -8.806 2.526 -8.317) 12.374 15.181 ( 0.002 -12.755 9.356) 15.819 15.435 ( -3.155 13.892 8.279) 16.476 16.466 ( -8.125 -12.336 -1.708) 14.870 16.712 ( 3.531 9.053 -17.773) 20.256 17.578 ( 9.564 12.220 3.191) 15.842 17.965 ( -3.079 -11.467 8.349) 14.515 19.907 ( -0.693 -0.925 -0.589) 1.297 19.946 ( 0.916 0.793 0.682) 1.390 20.301 ( 0.217 -0.921 -1.253) 1.570 ======================= Grid point 229 (126/294) ======================= q-point: (-0.33 -0.50 0.08) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.426 ( -9.053 -2.638 -1.170) 9.502 2.608 ( 4.069 5.961 -2.583) 7.666 2.873 ( 4.103 -2.485 -0.700) 4.847 3.079 ( 6.892 3.490 0.326) 7.732 3.320 ( -5.863 -6.334 1.887) 8.835 3.972 ( 3.643 3.385 4.262) 6.550 4.333 ( 16.519 -1.065 -2.334) 16.717 5.254 ( -7.564 -13.274 -1.836) 15.388 5.672 ( -15.121 9.394 1.183) 17.840 7.174 ( 16.811 1.995 -0.148) 16.929 8.018 ( -2.553 1.836 -1.946) 3.698 8.379 ( -4.316 -3.534 5.564) 7.879 8.960 ( 5.317 1.733 -3.769) 6.744 9.408 ( -6.567 -1.003 0.403) 6.655 9.964 ( -1.408 -2.090 -0.280) 2.536 10.196 ( 8.313 0.727 0.139) 8.346 10.301 ( -7.913 1.397 1.553) 8.184 11.131 ( 7.058 0.684 -0.360) 7.100 12.394 ( -5.256 -5.783 0.877) 7.864 13.561 ( 12.762 6.452 -2.789) 14.569 14.365 ( -11.752 2.510 -7.700) 14.272 15.035 ( -5.198 -15.043 4.310) 16.489 15.567 ( 1.005 6.521 7.704) 10.143 16.145 ( -11.065 -10.080 -4.605) 15.660 16.814 ( 4.356 10.355 -15.162) 18.870 17.848 ( -5.553 -11.098 13.885) 18.622 17.902 ( 12.337 14.704 0.997) 19.220 19.878 ( -0.596 -1.702 0.145) 1.809 19.980 ( 1.046 1.657 0.350) 1.991 20.281 ( -0.089 -1.568 -1.702) 2.316 ======================= Grid point 230 (127/294) ======================= q-point: (-0.25 -0.50 0.08) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.235 ( -7.568 -3.153 -3.070) 8.754 2.707 ( 4.241 0.940 -0.592) 4.384 2.882 ( -4.363 0.857 -0.400) 4.464 3.175 ( -1.903 -8.322 -0.262) 8.541 3.265 ( 8.171 8.404 1.181) 11.781 4.096 ( 3.544 5.000 4.638) 7.685 4.602 ( 17.874 -6.247 -2.230) 19.065 4.959 ( -5.764 -13.870 -3.246) 15.367 5.566 ( -14.597 15.170 2.800) 21.238 7.371 ( 16.160 -15.433 -2.717) 22.510 8.062 ( 1.882 9.083 -0.815) 9.312 8.238 ( -14.843 2.812 2.912) 15.385 9.026 ( 6.513 -6.286 -3.721) 9.787 9.330 ( -5.942 6.023 2.111) 8.720 9.912 ( -2.531 -1.287 -1.276) 3.113 10.231 ( -3.061 0.497 4.082) 5.127 10.319 ( 5.734 0.834 -1.284) 5.935 11.245 ( 6.459 -0.680 1.556) 6.679 12.303 ( -0.851 -2.804 0.917) 3.070 13.765 ( 7.446 2.851 -2.591) 8.384 14.160 ( -11.361 2.292 -4.117) 12.299 14.814 ( -6.975 -11.315 -1.276) 13.353 15.619 ( 4.798 -13.661 -1.054) 14.517 15.952 ( -8.157 8.396 1.734) 11.834 16.852 ( 0.782 4.905 -11.730) 12.738 17.720 ( -7.016 -9.199 12.133) 16.765 18.251 ( 11.340 15.447 1.644) 19.233 19.865 ( 0.571 -1.337 0.762) 1.641 20.012 ( 0.764 1.617 0.109) 1.792 20.252 ( -0.244 -2.317 -1.365) 2.700 ======================= Grid point 231 (128/294) ======================= q-point: (-0.17 -0.50 0.08) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.120 ( -1.877 -0.541 -3.455) 3.969 2.708 ( -9.272 -6.697 -0.334) 11.443 2.762 ( -2.508 2.649 2.476) 4.409 3.104 ( 1.060 -7.099 -1.459) 7.325 3.512 ( 11.071 9.338 -0.586) 14.495 4.230 ( 3.295 5.913 5.278) 8.584 4.495 ( -7.080 -18.488 -0.280) 19.799 5.059 ( 20.978 -1.124 -6.635) 22.031 5.494 ( -14.583 15.830 4.211) 21.931 7.411 ( 12.851 -22.295 -3.111) 25.921 7.966 ( -20.546 5.475 3.453) 21.541 8.237 ( 4.833 12.032 -4.399) 13.692 8.993 ( -0.038 -8.503 -0.260) 8.507 9.360 ( 0.297 7.196 0.874) 7.255 9.862 ( -0.691 -1.802 -0.705) 2.055 10.208 ( -3.129 -0.984 2.224) 3.963 10.404 ( 4.418 1.443 -0.692) 4.699 11.342 ( 4.458 -0.837 3.375) 5.654 12.335 ( 4.587 1.799 1.051) 5.038 13.787 ( -2.469 -5.770 0.012) 6.276 14.031 ( -5.389 3.950 -2.140) 7.016 14.610 ( -5.621 -5.563 -4.245) 8.975 15.490 ( 0.206 -13.980 -4.958) 14.835 16.021 ( 0.712 10.314 4.048) 11.103 16.806 ( -1.984 -0.620 -7.701) 7.977 17.586 ( -7.076 -8.027 10.424) 14.938 18.561 ( 8.482 15.516 -1.395) 17.738 19.881 ( 1.776 -0.560 1.195) 2.213 20.036 ( 0.441 1.412 0.032) 1.480 20.216 ( -0.244 -3.324 -0.410) 3.358 ======================= Grid point 232 (129/294) ======================= q-point: (-0.08 0.50 0.08) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.109 ( -0.275 2.078 -2.073) 2.948 2.486 ( -6.603 -5.737 -0.844) 8.788 2.737 ( -6.483 0.397 5.214) 8.329 3.035 ( 1.298 -8.640 -1.967) 8.956 3.762 ( 10.502 6.961 -3.082) 12.971 4.231 ( -5.285 -13.960 0.671) 14.942 4.373 ( 2.506 7.423 4.874) 9.227 5.291 ( 9.465 -2.366 -5.669) 11.283 5.479 ( -3.188 13.269 3.451) 14.076 7.272 ( -10.138 -12.405 -0.609) 16.032 7.805 ( -2.963 3.426 0.700) 4.583 8.398 ( 7.090 6.295 -4.933) 10.688 8.889 ( -5.413 -4.701 2.956) 7.755 9.462 ( 5.695 3.030 -0.214) 6.454 9.848 ( 1.257 -2.405 0.048) 2.714 10.120 ( -4.864 -3.399 -1.431) 6.104 10.478 ( 1.913 2.905 0.628) 3.535 11.401 ( 1.064 -0.676 3.080) 3.328 12.483 ( 7.818 5.894 0.743) 9.819 13.620 ( -7.889 -11.221 2.025) 13.865 14.001 ( -1.405 2.824 -2.767) 4.196 14.513 ( 0.190 -1.573 0.542) 1.674 15.344 ( -5.653 -2.960 -2.727) 6.939 16.163 ( 5.831 4.035 1.275) 7.204 16.703 ( -3.251 -4.455 -3.471) 6.516 17.460 ( -5.637 -6.475 5.871) 10.401 18.795 ( 5.189 13.897 -4.467) 15.492 19.922 ( 2.402 0.455 1.338) 2.787 20.052 ( 0.005 1.104 -0.105) 1.109 20.176 ( -0.274 -4.670 0.758) 4.739 ======================= Grid point 236 (130/294) ======================= q-point: ( 0.17 0.58 0.08) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.191 ( 4.570 5.642 2.870) 7.807 2.463 ( -5.999 -1.567 4.638) 7.743 2.677 ( 12.492 -1.979 -1.622) 12.751 2.965 ( 1.484 3.260 2.704) 4.488 3.902 ( -8.578 -3.657 -1.584) 9.459 4.006 ( 2.763 6.954 -0.456) 7.497 4.342 ( -1.915 -5.250 -8.143) 9.876 5.366 ( -2.814 0.964 3.027) 4.243 5.641 ( 0.551 -8.065 1.083) 8.156 7.000 ( -7.756 16.939 0.481) 18.637 7.920 ( 9.473 -6.862 1.299) 11.769 8.581 ( -0.309 0.052 0.731) 0.795 8.761 ( 2.417 0.338 -0.056) 2.441 9.532 ( -0.319 -4.596 -0.138) 4.609 9.835 ( -1.009 1.439 2.138) 2.768 10.038 ( 3.692 3.712 -1.589) 5.471 10.541 ( -3.904 -1.866 2.449) 4.972 11.241 ( -3.260 1.661 -8.508) 9.262 12.610 ( -7.680 -9.041 -0.558) 11.876 13.301 ( 4.424 13.461 -4.209) 14.782 14.151 ( 6.265 -1.481 5.185) 8.267 14.734 ( 3.327 -8.628 12.941) 15.905 15.415 ( -1.451 4.751 10.471) 11.590 16.194 ( -2.489 -1.610 0.135) 2.967 16.673 ( 14.424 0.569 -7.006) 16.046 17.241 ( -8.724 5.165 0.574) 10.154 18.919 ( -3.841 -2.174 -8.330) 9.427 19.921 ( -2.992 -2.654 -0.701) 4.061 20.049 ( 0.419 0.565 -1.383) 1.551 20.134 ( 2.083 0.827 2.762) 3.557 ======================= Grid point 237 (131/294) ======================= q-point: ( 0.25 0.58 0.08) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.284 ( 2.326 -4.142 6.001) 7.653 2.500 ( 2.561 11.289 -1.015) 11.620 2.833 ( 10.783 -3.319 1.747) 11.417 3.029 ( -0.229 3.830 1.949) 4.304 3.654 ( -11.885 -7.610 -3.822) 14.621 4.117 ( -0.624 7.253 -1.628) 7.459 4.296 ( 6.196 0.194 -3.009) 6.891 5.182 ( -21.295 1.589 6.327) 22.272 5.667 ( 13.477 -13.122 -3.533) 19.139 7.039 ( -12.516 24.472 2.290) 27.582 8.016 ( 8.777 -6.270 -1.121) 10.844 8.552 ( 0.444 -7.536 3.480) 8.312 8.838 ( 3.017 5.204 -0.831) 6.072 9.489 ( 2.177 -6.975 0.152) 7.309 9.863 ( 1.385 0.913 2.303) 2.838 10.108 ( 1.318 3.261 -1.839) 3.969 10.452 ( -4.180 -3.086 -0.011) 5.196 11.166 ( -4.674 5.181 -6.360) 9.441 12.398 ( -8.088 -6.171 0.806) 10.206 13.527 ( 8.648 14.993 -4.483) 17.880 14.258 ( 6.673 -5.873 5.481) 10.443 14.766 ( 1.395 -4.954 9.294) 10.624 15.457 ( -7.168 6.722 11.709) 15.286 16.166 ( 2.297 -5.935 2.803) 6.954 16.889 ( 15.772 1.468 -10.337) 18.914 17.178 ( -6.961 8.599 0.587) 11.078 18.739 ( -6.730 -8.218 -7.177) 12.820 19.855 ( -2.532 -0.690 -0.341) 2.647 20.043 ( -0.193 -0.373 -1.345) 1.409 20.196 ( 2.168 1.450 2.320) 3.490 ======================= Grid point 238 (132/294) ======================= q-point: ( 0.33 0.58 0.08) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.331 ( 5.095 -3.661 4.544) 7.747 2.624 ( 0.536 9.475 -0.926) 9.535 2.987 ( 8.999 -7.722 1.041) 11.903 3.045 ( -1.665 7.043 0.960) 7.301 3.374 ( -10.562 -7.096 -3.156) 13.110 4.078 ( -3.396 -1.668 -1.943) 4.253 4.464 ( 1.326 8.997 1.349) 9.194 4.918 ( -11.516 3.508 5.573) 13.266 5.738 ( 12.167 -12.337 -4.285) 17.849 7.069 ( -13.963 23.999 3.103) 27.938 8.065 ( 4.335 -2.804 -2.825) 5.885 8.484 ( 0.716 -13.190 2.007) 13.361 8.929 ( 0.801 7.098 0.530) 7.163 9.474 ( 5.093 -9.424 0.596) 10.728 9.897 ( 0.211 0.426 -0.547) 0.725 10.146 ( 0.545 5.141 1.355) 5.344 10.367 ( -1.148 -4.512 -1.536) 4.902 11.111 ( -5.879 6.503 -3.263) 9.354 12.274 ( -3.157 -0.816 1.139) 3.454 13.745 ( 3.041 8.427 -1.720) 9.123 14.331 ( 8.505 -4.285 1.250) 9.605 14.798 ( 1.232 -1.999 5.988) 6.432 15.471 ( -6.904 9.065 10.211) 15.301 16.177 ( 4.933 -8.745 4.084) 10.840 17.047 ( 10.673 3.807 -22.353) 25.061 17.205 ( -3.057 7.797 11.276) 14.046 18.480 ( -8.569 -12.406 -4.607) 15.766 19.827 ( -1.069 1.205 0.270) 1.633 20.023 ( -0.525 -0.926 -1.226) 1.624 20.252 ( 1.574 1.323 1.889) 2.792 ======================= Grid point 239 (133/294) ======================= q-point: ( 0.42 0.58 0.08) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.414 ( 4.113 0.775 0.240) 4.192 2.705 ( 1.729 4.120 1.938) 4.870 2.930 ( -3.347 -6.820 0.591) 7.620 3.044 ( -7.282 -0.532 -6.178) 9.565 3.269 ( 4.140 0.017 3.728) 5.571 3.991 ( -4.504 -2.378 1.796) 5.400 4.358 ( -13.469 -0.534 0.659) 13.496 5.075 ( 10.582 12.559 4.560) 17.044 5.785 ( 9.776 -9.509 -4.474) 14.353 7.051 ( -15.524 18.611 2.779) 24.395 8.094 ( 4.228 -2.251 -1.967) 5.178 8.356 ( -0.982 -12.464 -1.516) 12.594 8.988 ( -2.027 5.564 1.463) 6.099 9.487 ( 6.855 -8.981 0.944) 11.338 9.878 ( -2.175 3.291 -2.718) 4.791 10.189 ( -2.658 -0.428 -0.440) 2.728 10.363 ( 5.720 -0.972 3.729) 6.897 11.052 ( -6.788 5.840 -2.019) 9.179 12.297 ( 3.433 3.458 0.995) 4.973 13.685 ( -11.504 -2.291 0.191) 11.731 14.532 ( 16.001 3.195 -6.011) 17.388 14.833 ( 2.081 -2.931 7.053) 7.916 15.518 ( -4.604 8.982 8.141) 12.967 16.212 ( 6.576 -6.949 2.698) 9.941 17.073 ( 4.355 3.966 -26.251) 26.904 17.302 ( -2.950 6.622 14.435) 16.153 18.209 ( -6.895 -13.359 -0.437) 15.039 19.843 ( 0.476 2.207 0.900) 2.431 19.996 ( -0.862 -1.278 -0.931) 1.801 20.289 ( 0.662 0.917 1.157) 1.618 ======================= Grid point 240 (134/294) ======================= q-point: ( 0.50 0.58 0.08) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.461 ( -1.242 6.495 -3.731) 7.592 2.724 ( -2.247 -7.809 4.780) 9.427 2.846 ( 2.817 -3.217 -1.181) 4.436 2.909 ( -4.753 1.673 -5.766) 7.658 3.371 ( 3.627 0.588 4.895) 6.120 3.924 ( -3.563 -1.342 4.796) 6.124 4.165 ( -8.107 -1.007 -0.837) 8.212 5.350 ( 6.910 6.211 2.133) 9.533 5.857 ( 9.738 -2.940 -3.511) 10.761 6.941 ( -14.319 8.203 2.322) 16.664 8.132 ( 4.337 -5.931 -0.516) 7.366 8.251 ( 0.438 -1.980 -3.360) 3.925 8.978 ( -3.564 1.069 1.128) 3.888 9.538 ( 5.800 -4.325 0.669) 7.266 9.885 ( -0.535 6.056 -1.800) 6.341 10.087 ( -3.661 -5.059 -1.972) 6.548 10.495 ( 4.158 0.583 7.433) 8.537 10.984 ( -5.082 4.156 -3.082) 7.252 12.435 ( 6.962 4.181 0.950) 8.176 13.434 ( -13.217 -3.313 -0.322) 13.630 14.684 ( 3.176 4.304 -13.563) 14.580 14.949 ( 11.226 -7.628 11.344) 17.689 15.558 ( -3.238 3.813 7.356) 8.896 16.312 ( 8.641 1.480 -1.378) 8.874 16.929 ( -6.017 -3.896 -21.035) 22.223 17.415 ( -0.763 11.459 8.862) 14.506 18.033 ( -2.142 -11.012 4.914) 12.247 19.887 ( 1.187 2.450 1.251) 2.996 19.962 ( -1.164 -1.462 -0.401) 1.911 20.302 ( -0.219 0.387 0.053) 0.448 ======================= Grid point 241 (135/294) ======================= q-point: (-0.42 -0.42 0.08) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.483 ( -1.065 9.418 -4.913) 10.676 2.643 ( -0.259 -9.049 4.067) 9.924 2.812 ( -2.890 -1.665 -3.715) 4.993 2.886 ( 4.826 -2.239 -5.021) 7.315 3.453 ( -0.009 2.382 8.426) 8.756 3.892 ( -0.624 -3.968 3.870) 5.578 4.096 ( -1.433 4.461 -0.165) 4.689 5.405 ( -0.863 -3.991 -1.888) 4.498 5.962 ( 1.729 3.264 -1.166) 3.873 6.830 ( -0.921 -3.849 1.381) 4.192 8.104 ( -1.568 1.140 -3.031) 3.598 8.302 ( 5.646 -1.259 1.307) 5.930 8.929 ( -2.156 -0.482 -0.642) 2.301 9.564 ( -0.968 0.360 -0.426) 1.117 9.947 ( 1.752 1.070 0.662) 2.158 10.006 ( 0.823 0.287 -1.750) 1.955 10.543 ( -4.060 -0.155 7.260) 8.320 10.957 ( 1.554 1.157 -3.460) 3.966 12.537 ( 0.570 -1.024 1.113) 1.617 13.286 ( -1.573 2.430 -0.628) 2.962 14.633 ( -3.931 4.208 -13.204) 14.405 15.048 ( 5.836 -14.208 5.643) 16.363 15.589 ( -0.124 -0.544 9.154) 9.171 16.436 ( 0.528 -1.653 -5.248) 5.528 16.666 ( -3.460 3.078 -17.664) 18.261 17.599 ( 4.436 13.447 4.853) 14.968 17.966 ( -1.184 -8.430 10.719) 13.688 19.918 ( -1.316 -0.399 0.555) 1.483 19.944 ( 0.974 1.208 0.956) 1.823 20.291 ( -0.722 -0.257 -1.250) 1.466 ======================= Grid point 242 (136/294) ======================= q-point: (-0.33 -0.42 0.08) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.508 ( -5.065 -2.091 -3.360) 6.428 2.582 ( 1.933 1.652 -4.019) 4.756 2.754 ( 3.519 -3.698 -4.278) 6.660 2.965 ( 8.274 1.408 -0.246) 8.397 3.470 ( -8.346 2.917 9.339) 12.860 3.910 ( 6.931 -4.921 3.251) 9.101 4.179 ( 3.731 7.388 0.408) 8.287 5.239 ( -7.600 -12.366 -4.215) 15.114 5.950 ( -7.677 7.763 1.392) 11.006 6.856 ( 13.206 -15.288 -2.079) 20.308 8.097 ( -2.914 8.303 -2.098) 9.046 8.379 ( 3.993 -2.713 3.513) 5.970 8.902 ( 0.358 -0.278 -3.058) 3.091 9.527 ( -5.365 4.657 0.266) 7.109 9.938 ( 1.381 -3.579 0.313) 3.849 10.107 ( 4.845 4.653 -0.088) 6.718 10.460 ( -8.686 0.065 4.426) 9.749 11.014 ( 6.665 -1.897 -0.723) 6.968 12.447 ( -6.499 -5.098 1.652) 8.424 13.417 ( 10.332 6.495 -1.309) 12.274 14.504 ( -7.980 4.334 -12.253) 15.251 14.956 ( -0.692 -15.221 0.806) 15.258 15.600 ( -0.634 -9.933 7.000) 12.168 16.205 ( -9.096 -4.296 -7.825) 12.744 16.743 ( 5.555 10.428 -13.283) 17.777 17.856 ( 6.960 15.764 -5.005) 17.944 17.947 ( -1.182 -6.965 23.569) 24.605 19.885 ( -1.594 -1.377 1.044) 2.351 19.985 ( 0.929 1.990 0.811) 2.341 20.263 ( -0.744 -1.070 -2.315) 2.657 ======================= Grid point 243 (137/294) ======================= q-point: (-0.25 -0.42 0.08) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.306 ( -8.466 -5.146 -6.682) 11.950 2.625 ( 3.244 -0.952 -1.939) 3.898 2.806 ( 8.992 -2.548 -6.900) 11.617 3.168 ( 7.411 8.505 2.330) 11.518 3.349 ( -11.760 -0.397 8.206) 14.346 4.049 ( 10.503 -2.434 4.301) 11.607 4.339 ( 8.015 5.248 -0.110) 9.581 4.924 ( -9.643 -15.811 -4.394) 19.034 5.910 ( -9.607 11.384 2.374) 15.084 6.894 ( 16.203 -23.929 -5.227) 29.368 8.136 ( -1.248 7.824 -0.456) 7.936 8.414 ( -1.367 1.579 2.443) 3.214 8.889 ( 1.478 -1.970 -4.059) 4.748 9.504 ( -5.699 8.283 2.052) 10.262 9.928 ( -0.730 -1.266 -0.670) 1.607 10.201 ( 4.197 -1.448 2.029) 4.881 10.365 ( -5.787 3.222 1.739) 6.848 11.117 ( 8.379 -3.201 1.998) 9.190 12.320 ( -4.036 -3.708 2.182) 5.899 13.641 ( 10.201 4.331 -2.224) 11.303 14.332 ( -10.205 3.814 -8.341) 13.720 14.789 ( -3.654 -10.208 -3.264) 11.323 15.426 ( -2.137 -20.871 -2.635) 21.145 16.101 ( -2.131 3.841 0.033) 4.393 16.806 ( 1.295 5.931 -11.801) 13.271 17.868 ( -7.384 -1.096 11.240) 13.493 18.224 ( 11.216 12.994 7.475) 18.722 19.859 ( -0.700 -1.289 1.505) 2.101 20.018 ( 0.627 1.815 0.434) 1.968 20.224 ( -0.464 -1.996 -2.574) 3.290 ======================= Grid point 244 (138/294) ======================= q-point: (-0.17 -0.42 0.08) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.117 ( -3.544 -3.772 -7.750) 9.320 2.641 ( 1.976 -4.872 0.085) 5.258 2.883 ( 6.023 -1.407 -6.289) 8.820 3.088 ( -14.577 -2.311 5.058) 15.601 3.460 ( 8.594 9.298 2.907) 12.991 4.209 ( 7.027 -2.487 5.019) 8.986 4.447 ( -1.610 -3.599 0.077) 3.943 4.731 ( 9.309 -5.469 -5.131) 11.954 5.866 ( -11.542 12.464 2.554) 17.179 6.889 ( 17.552 -27.692 -5.988) 33.328 8.175 ( -1.450 2.494 1.727) 3.362 8.386 ( -7.417 8.670 -2.293) 11.638 8.870 ( 2.117 -3.855 -2.831) 5.230 9.508 ( -5.522 8.714 2.676) 10.658 9.876 ( -2.968 -0.940 -0.518) 3.156 10.262 ( 1.951 -3.447 6.167) 7.329 10.345 ( -0.353 4.391 -2.739) 5.188 11.239 ( 8.141 -3.297 3.432) 9.430 12.297 ( 2.057 0.209 2.157) 2.988 13.748 ( 2.007 -2.497 -1.569) 3.568 14.176 ( -8.856 4.179 -3.637) 10.446 14.628 ( -4.757 -3.518 -5.498) 8.077 15.211 ( 5.199 -20.558 -7.463) 22.480 16.143 ( 0.164 4.093 3.836) 5.612 16.773 ( -2.041 2.217 -10.477) 10.902 17.772 ( -11.124 -2.289 14.598) 18.496 18.552 ( 9.634 14.572 1.086) 17.503 19.860 ( 0.925 -0.687 1.681) 2.038 20.045 ( 0.446 1.460 0.423) 1.584 20.183 ( -0.242 -2.932 -1.904) 3.505 ======================= Grid point 245 (139/294) ======================= q-point: (-0.08 -0.42 0.08) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.059 ( 4.261 -1.202 -6.340) 7.733 2.537 ( -7.348 -10.920 1.624) 13.262 2.864 ( -5.500 4.188 0.802) 6.959 2.942 ( 0.145 -7.347 -1.349) 7.471 3.689 ( 7.176 9.480 0.108) 11.890 4.176 ( -3.646 -10.866 2.399) 11.709 4.438 ( 1.551 5.306 2.815) 6.203 4.943 ( 18.841 -2.373 -6.282) 20.002 5.800 ( -12.023 11.462 3.235) 16.923 6.896 ( 18.799 -27.041 -4.781) 33.279 8.103 ( -13.114 4.594 3.329) 14.289 8.369 ( -0.249 8.112 -6.606) 10.465 8.855 ( 1.935 -4.891 -0.201) 5.263 9.518 ( -3.974 7.440 1.961) 8.660 9.832 ( -1.348 -1.066 0.900) 1.940 10.208 ( -7.242 -0.069 0.987) 7.310 10.430 ( 6.124 0.434 1.354) 6.287 11.340 ( 5.688 -3.457 2.009) 6.953 12.412 ( 7.476 4.737 1.224) 8.935 13.644 ( -6.179 -9.764 0.897) 11.589 14.084 ( -5.838 4.379 -2.080) 7.588 14.528 ( -2.675 1.152 -2.249) 3.680 15.149 ( 11.807 -14.713 -6.807) 20.056 16.208 ( 0.620 3.327 4.412) 5.561 16.673 ( -4.058 -0.467 -9.720) 10.543 17.634 ( -12.421 -2.680 13.792) 18.754 18.806 ( 6.193 13.184 -3.727) 15.035 19.895 ( 2.321 0.452 1.535) 2.819 20.065 ( 0.108 1.070 0.720) 1.295 20.139 ( -0.338 -3.964 -0.832) 4.064 ======================= Grid point 248 (140/294) ======================= q-point: ( 0.17 -0.33 0.08) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.160 ( 4.154 -3.331 5.428) 7.603 2.416 ( 16.708 0.564 -0.030) 16.717 2.553 ( -5.280 -2.285 1.822) 6.035 3.045 ( -3.306 8.891 0.846) 9.523 3.991 ( -1.578 -1.869 -3.871) 4.579 4.014 ( -0.272 5.923 -1.239) 6.057 4.321 ( -5.887 -2.719 -6.132) 8.925 5.136 ( 13.451 -9.839 -3.153) 16.960 5.829 ( -13.329 1.503 6.163) 14.761 6.864 ( 27.591 -5.240 -1.930) 28.151 7.953 ( -11.310 3.872 3.224) 12.381 8.541 ( 5.848 1.385 -2.858) 6.655 8.747 ( -1.384 -1.836 2.103) 3.116 9.582 ( -7.803 1.723 -0.826) 8.034 9.859 ( 1.115 1.232 1.768) 2.426 10.083 ( -3.733 5.843 0.867) 6.987 10.557 ( 0.021 -5.021 2.532) 5.623 11.218 ( 2.161 1.290 -8.508) 8.873 12.603 ( -2.930 -7.563 -3.841) 8.974 13.354 ( 2.174 10.514 0.256) 10.739 14.116 ( 0.072 -0.133 4.518) 4.521 14.664 ( 2.304 -7.398 9.551) 12.299 15.304 ( 17.672 -7.893 7.633) 20.805 16.317 ( -5.811 0.902 0.301) 5.888 16.444 ( 5.606 3.967 -6.496) 9.453 17.507 ( -12.133 8.026 7.067) 16.173 18.905 ( -3.317 -2.778 -9.701) 10.622 19.935 ( -2.040 -2.402 -0.588) 3.206 20.046 ( 0.368 1.739 -1.569) 2.371 20.121 ( 1.834 0.585 1.932) 2.727 ======================= Grid point 249 (141/294) ======================= q-point: ( 0.25 -0.33 0.08) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.209 ( 3.537 -7.490 4.198) 9.286 2.547 ( 2.636 7.243 1.087) 7.784 2.667 ( 10.032 1.161 3.100) 10.564 3.084 ( -1.229 6.526 0.650) 6.672 3.746 ( -11.692 -9.141 -7.367) 16.569 4.185 ( 3.080 -0.033 -2.784) 4.152 4.227 ( 1.053 13.479 -0.083) 13.520 5.243 ( 15.379 -13.172 -3.460) 20.542 5.587 ( -19.887 -1.900 5.022) 20.599 7.248 ( 16.302 9.692 -1.987) 19.070 7.858 ( -3.362 -1.316 3.364) 4.935 8.519 ( -3.615 -7.839 1.513) 8.764 8.819 ( 6.588 5.278 -0.307) 8.447 9.467 ( -5.416 -2.278 -0.577) 5.904 9.875 ( -0.468 0.506 1.494) 1.645 10.119 ( 0.233 4.634 0.733) 4.698 10.488 ( -3.153 -4.025 -1.155) 5.242 11.227 ( -0.469 5.420 -5.319) 7.609 12.446 ( -5.110 -6.853 -1.130) 8.623 13.525 ( 5.288 13.173 -2.153) 14.357 14.153 ( 3.191 -3.855 4.412) 6.672 14.695 ( 4.253 -8.390 8.989) 13.011 15.528 ( 11.158 -3.894 8.268) 14.423 16.170 ( -9.465 -2.706 1.901) 10.026 16.617 ( 13.243 4.010 -8.873) 16.437 17.450 ( -10.717 11.806 6.389) 17.178 18.725 ( -6.095 -7.568 -9.101) 13.314 19.884 ( -1.929 -0.748 -0.334) 2.096 20.043 ( -0.687 0.495 -1.415) 1.649 20.180 ( 2.698 1.331 1.436) 3.334 ======================= Grid point 250 (142/294) ======================= q-point: ( 0.33 -0.33 0.08) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.221 ( 4.935 -6.443 3.359) 8.784 2.702 ( 2.738 10.158 -1.307) 10.601 2.801 ( 6.073 -3.239 4.414) 8.177 3.138 ( 0.209 5.941 1.063) 6.039 3.430 ( -10.208 -9.295 -6.774) 15.378 4.115 ( -4.430 -0.043 -1.495) 4.675 4.525 ( 8.905 18.380 1.993) 20.521 5.229 ( -20.528 -5.647 3.173) 21.526 5.350 ( 14.567 -12.513 -3.377) 19.498 7.481 ( -5.801 21.175 -0.506) 21.961 7.884 ( 9.616 -6.285 0.126) 11.489 8.357 ( -2.929 -15.439 1.806) 15.818 8.989 ( 4.801 9.514 0.145) 10.658 9.361 ( -1.991 -6.857 -0.060) 7.141 9.886 ( 0.813 0.002 0.352) 0.886 10.168 ( 1.339 2.206 2.438) 3.550 10.388 ( -4.387 -1.138 -2.957) 5.412 11.233 ( -3.423 6.567 -2.444) 7.798 12.325 ( -3.671 -2.325 0.651) 4.394 13.733 ( 7.062 10.373 -2.315) 12.761 14.179 ( 4.084 -6.650 1.818) 8.013 14.740 ( 4.471 -6.992 6.965) 10.834 15.683 ( 1.067 6.440 6.310) 9.079 16.014 ( -0.810 -12.726 2.136) 12.930 16.807 ( 11.423 4.567 -12.101) 17.256 17.455 ( -7.819 12.411 8.688) 17.048 18.477 ( -8.152 -10.184 -7.246) 14.923 19.858 ( -1.150 0.860 0.340) 1.475 20.023 ( -0.944 -0.074 -1.220) 1.544 20.242 ( 2.350 1.278 1.205) 2.934 ======================= Grid point 251 (143/294) ======================= q-point: ( 0.42 0.67 0.08) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.301 ( 8.319 -3.021 1.910) 9.054 2.739 ( -2.318 1.589 -1.988) 3.443 2.865 ( 2.441 -4.808 0.675) 5.434 3.168 ( -8.516 3.369 -5.297) 10.580 3.254 ( 2.658 0.770 4.891) 5.620 4.038 ( -4.237 -0.538 0.745) 4.336 4.660 ( -16.795 5.485 1.031) 17.698 5.060 ( 5.869 8.031 3.310) 10.483 5.451 ( 14.632 -11.948 -3.665) 19.242 7.465 ( -15.682 12.166 1.612) 19.914 7.982 ( 6.107 -2.209 -2.644) 7.012 8.202 ( 2.535 -13.309 -1.204) 13.602 9.109 ( -3.349 8.055 0.926) 8.773 9.306 ( 6.147 -7.583 0.517) 9.775 9.899 ( 0.527 1.250 -1.285) 1.868 10.241 ( -0.082 2.109 0.552) 2.182 10.305 ( 0.068 -1.207 2.111) 2.433 11.203 ( -6.243 5.227 -0.916) 8.194 12.303 ( 0.423 2.468 1.103) 2.736 13.818 ( -5.201 0.352 0.373) 5.226 14.256 ( 13.626 -1.043 -5.425) 14.703 14.780 ( 3.683 -6.406 5.979) 9.505 15.698 ( -7.772 1.941 3.597) 8.781 16.009 ( 11.168 -7.519 2.025) 13.615 16.915 ( 5.570 5.215 -16.975) 18.611 17.521 ( -4.325 9.445 12.766) 16.459 18.210 ( -8.491 -9.816 -4.001) 13.582 19.867 ( -0.033 1.943 1.131) 2.248 19.998 ( -1.125 -0.418 -0.850) 1.471 20.289 ( 1.380 1.061 0.796) 1.914 ======================= Grid point 252 (144/294) ======================= q-point: (-0.50 -0.33 0.08) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.431 ( 7.666 -0.279 0.151) 7.672 2.697 ( 1.996 -4.904 -1.709) 5.564 2.776 ( -5.243 -6.018 -2.712) 8.430 3.028 ( -8.712 3.287 -3.544) 9.963 3.387 ( 2.884 6.296 6.211) 9.302 3.982 ( -3.508 -0.727 4.133) 5.470 4.377 ( -15.994 0.778 0.296) 16.016 5.292 ( 7.227 3.490 0.123) 8.027 5.607 ( 15.668 -0.759 -1.911) 15.803 7.209 ( -17.476 -9.396 1.336) 19.887 8.034 ( 4.619 0.151 -0.465) 4.644 8.189 ( 2.617 1.884 -5.382) 6.274 9.042 ( -4.667 -4.452 0.825) 6.503 9.423 ( 7.276 3.279 0.980) 8.040 9.927 ( 1.089 4.023 -1.192) 4.335 10.139 ( -7.562 -0.299 -2.917) 8.111 10.439 ( 7.997 -0.902 8.165) 11.465 11.114 ( -8.347 2.406 -1.122) 8.759 12.389 ( 4.549 4.966 0.757) 6.777 13.628 ( -13.621 -3.691 0.968) 14.145 14.475 ( 15.449 2.458 -13.063) 20.380 14.809 ( 3.965 -8.163 7.541) 11.799 15.583 ( -1.392 -11.789 3.281) 12.316 16.192 ( 9.742 6.616 -0.517) 11.787 16.875 ( -2.726 2.352 -19.805) 20.130 17.621 ( -2.841 7.260 15.432) 17.289 18.009 ( -4.601 -6.008 -0.003) 7.568 19.902 ( 0.848 2.387 1.626) 3.010 19.970 ( -1.337 -0.631 -0.217) 1.494 20.312 ( 0.017 0.819 -0.031) 0.820 ======================= Grid point 253 (145/294) ======================= q-point: (-0.42 -0.33 0.08) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.514 ( 3.688 -2.273 0.522) 4.364 2.601 ( -4.560 -6.555 -5.835) 9.890 2.730 ( 6.199 -1.794 -0.502) 6.473 2.885 ( -8.703 1.923 -5.648) 10.552 3.520 ( 2.235 5.547 7.780) 9.813 3.935 ( -5.575 -1.138 5.454) 7.882 4.225 ( -6.339 5.421 1.134) 8.417 5.337 ( 2.163 -5.485 -4.170) 7.222 5.882 ( 12.266 7.367 -0.373) 14.313 6.803 ( -11.399 -23.998 0.481) 26.572 8.141 ( 5.055 5.327 -0.168) 7.346 8.219 ( 0.027 4.494 -4.038) 6.042 8.935 ( -1.993 -5.673 -0.232) 6.017 9.566 ( 3.770 6.113 0.607) 7.207 9.982 ( -1.565 -2.025 -1.997) 3.246 10.017 ( -2.877 7.499 0.214) 8.035 10.586 ( 4.907 -1.988 9.658) 11.014 10.974 ( -7.289 -1.301 -3.364) 8.133 12.512 ( 3.764 2.933 0.218) 4.777 13.399 ( -10.372 -0.892 1.376) 10.501 14.590 ( 5.301 3.637 -17.235) 18.395 14.836 ( 5.658 -12.916 6.363) 15.470 15.501 ( 5.152 -15.633 3.540) 16.836 16.396 ( 4.921 8.254 -3.901) 10.371 16.677 ( -7.029 1.180 -17.522) 18.916 17.741 ( -1.202 8.946 13.674) 16.384 17.956 ( 0.512 -2.648 5.302) 5.949 19.940 ( -1.074 -0.903 0.299) 1.435 19.952 ( 0.567 2.486 1.948) 3.209 20.304 ( -1.322 0.450 -1.295) 1.904 ======================= Grid point 254 (146/294) ======================= q-point: (-0.33 -0.33 0.08) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.452 ( 2.445 -11.477 -8.312) 14.380 2.547 ( -0.617 2.377 -2.747) 3.684 2.690 ( -3.192 -7.104 -4.258) 8.876 2.886 ( 5.541 8.114 0.593) 9.843 3.654 ( 1.552 4.963 9.830) 11.121 3.836 ( -6.355 -3.249 4.013) 8.188 4.258 ( -0.558 9.282 1.890) 9.489 5.216 ( -5.323 -9.498 -6.242) 12.550 6.074 ( 1.648 6.863 0.648) 7.087 6.478 ( 4.750 -28.605 -2.286) 29.087 8.221 ( -1.996 2.855 -0.913) 3.601 8.277 ( 5.335 4.655 -0.259) 7.085 8.882 ( 0.195 -1.369 -1.868) 2.324 9.656 ( -1.595 8.485 0.701) 8.662 9.892 ( -1.271 -3.464 -0.442) 3.716 10.123 ( 1.702 8.678 1.022) 8.903 10.624 ( -6.435 -1.106 8.670) 10.854 10.872 ( 3.782 -5.752 -3.761) 7.845 12.513 ( -4.441 -2.417 0.997) 5.153 13.352 ( 2.598 3.344 0.483) 4.262 14.555 ( -1.872 3.369 -14.561) 15.062 14.796 ( 2.677 -13.600 0.918) 13.892 15.457 ( 4.713 -18.137 1.044) 18.769 16.278 ( -9.944 -3.092 -9.387) 14.020 16.698 ( 5.107 11.887 -9.344) 15.959 17.915 ( 2.557 15.248 2.492) 15.660 18.008 ( 1.901 -4.596 18.526) 19.182 19.910 ( -1.781 -1.070 1.490) 2.557 19.997 ( 0.705 2.277 1.202) 2.669 20.265 ( -2.055 -0.272 -2.748) 3.443 ======================= Grid point 255 (147/294) ======================= q-point: (-0.25 -0.33 0.08) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.293 ( -3.291 -11.605 -11.568) 16.713 2.527 ( 5.037 -2.235 -8.630) 10.239 2.637 ( 2.403 -1.602 -1.508) 3.258 3.112 ( 9.952 9.043 5.018) 14.353 3.632 ( -14.920 1.054 8.271) 17.091 3.846 ( 9.650 -4.592 4.496) 11.594 4.372 ( 1.475 10.539 1.445) 10.740 4.930 ( -11.095 -13.275 -5.351) 18.110 6.092 ( -2.199 0.921 2.634) 3.553 6.382 ( 12.786 -22.417 -7.566) 26.893 8.209 ( -0.800 -0.258 1.465) 1.689 8.380 ( 3.758 1.916 -1.891) 4.622 8.887 ( -0.310 4.534 -2.115) 5.013 9.694 ( -5.308 10.377 2.280) 11.877 9.883 ( 3.373 -2.847 0.295) 4.424 10.196 ( -1.698 2.738 2.015) 3.799 10.513 ( -7.708 2.105 1.832) 8.198 10.933 ( 9.755 -6.538 1.632) 11.856 12.388 ( -6.673 -3.799 2.784) 8.167 13.494 ( 10.023 2.135 -1.857) 10.414 14.451 ( -5.657 3.005 -10.188) 12.034 14.703 ( 0.150 -9.512 -2.304) 9.789 15.264 ( -4.131 -20.453 -5.467) 21.570 16.117 ( -1.637 -2.129 -3.672) 4.549 16.805 ( 1.214 9.098 -8.075) 12.225 18.025 ( -3.133 6.486 4.103) 8.290 18.224 ( 8.929 7.541 16.638) 20.333 19.880 ( -1.822 -1.158 2.285) 3.144 20.029 ( 0.404 1.856 0.289) 1.921 20.208 ( -1.678 -1.301 -3.524) 4.114 ======================= Grid point 256 (148/294) ======================= q-point: (-0.17 -0.33 0.08) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.050 ( -3.167 -11.295 -12.865) 17.410 2.563 ( 6.101 -5.142 -4.249) 9.039 2.681 ( 5.769 0.290 -4.415) 7.271 3.365 ( -6.888 -7.171 8.297) 12.950 3.425 ( -0.118 13.187 2.075) 13.349 4.014 ( 13.600 -5.457 4.329) 15.280 4.492 ( -0.906 6.852 0.759) 6.953 4.627 ( -6.212 -8.407 -2.159) 10.673 6.090 ( -1.749 2.138 1.991) 3.405 6.322 ( 12.109 -23.361 -9.391) 27.938 8.210 ( -0.047 -0.354 1.794) 1.829 8.412 ( 2.822 -2.619 -3.717) 5.351 8.915 ( -3.679 9.188 -1.683) 10.039 9.695 ( -6.548 6.626 2.665) 9.689 9.918 ( -0.000 1.577 0.999) 1.867 10.175 ( 2.035 -5.281 4.387) 7.161 10.466 ( -5.531 7.498 -1.098) 9.382 11.057 ( 10.717 -6.052 2.772) 12.616 12.303 ( -1.839 -1.602 3.496) 4.263 13.641 ( 7.897 -2.137 -2.178) 8.466 14.330 ( -7.259 3.558 -5.739) 9.914 14.597 ( -0.364 -9.848 -2.503) 10.168 14.966 ( -4.370 -13.259 -10.624) 17.544 16.109 ( 3.941 -3.812 0.532) 5.509 16.820 ( -3.185 6.855 -6.970) 10.282 18.014 ( -8.626 1.881 11.839) 14.768 18.541 ( 9.559 12.681 5.537) 16.818 19.861 ( -0.659 -0.931 2.389) 2.648 20.050 ( 0.542 1.003 -0.298) 1.179 20.154 ( -0.808 -1.953 -2.643) 3.385 ======================= Grid point 257 (149/294) ======================= q-point: (-0.08 -0.33 0.08) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.883 ( 4.456 -10.017 -11.540) 15.918 2.528 ( -1.367 -11.628 2.234) 11.920 2.760 ( 6.856 -1.434 -5.854) 9.129 3.106 ( -13.878 -0.116 3.354) 14.278 3.671 ( 7.506 9.849 1.597) 12.485 4.186 ( 2.896 -1.523 4.824) 5.829 4.386 ( 2.463 -6.851 -2.335) 7.646 4.692 ( 7.375 4.277 0.473) 8.539 6.066 ( -8.080 6.512 1.153) 10.441 6.275 ( 19.035 -27.654 -8.039) 34.521 8.214 ( -0.478 -0.461 1.947) 2.058 8.395 ( 1.568 -2.837 -4.938) 5.907 8.903 ( -7.420 9.449 -1.857) 12.157 9.652 ( -3.791 1.959 1.951) 4.692 9.912 ( -5.580 4.663 2.951) 7.848 10.242 ( 6.556 -5.526 5.901) 10.408 10.426 ( -6.208 7.350 -2.223) 9.874 11.178 ( 9.312 -6.033 0.450) 11.105 12.353 ( 5.140 2.696 2.636) 6.375 13.637 ( -2.391 -8.343 0.073) 8.679 14.225 ( -6.673 3.204 -2.215) 7.727 14.525 ( 5.420 -8.721 -0.348) 10.274 14.807 ( 2.067 -4.354 -11.268) 12.255 16.154 ( 5.616 -5.192 1.869) 7.873 16.761 ( -6.888 6.203 -6.357) 11.240 17.913 ( -13.061 -0.611 14.287) 19.367 18.803 ( 6.660 12.458 -2.808) 14.402 19.876 ( 1.528 0.262 1.999) 2.530 20.064 ( 0.987 -0.810 0.251) 1.301 20.115 ( -0.903 -1.445 -1.097) 2.027 ======================= Grid point 260 (150/294) ======================= q-point: ( 0.17 -0.25 0.08) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( 15.831 -8.691 3.436) 18.384 2.232 ( 10.669 2.730 7.330) 13.229 2.627 ( -5.397 -0.397 0.224) 5.416 3.230 ( -5.864 12.512 -0.443) 13.825 3.886 ( 1.569 -8.833 -6.824) 11.271 4.052 ( 2.190 1.921 -4.951) 5.744 4.407 ( -5.625 4.456 -1.026) 7.249 4.846 ( 7.328 -10.313 -2.556) 12.907 6.060 ( -8.349 1.837 5.304) 10.060 6.244 ( 34.396 -9.221 -0.390) 35.613 8.159 ( -6.266 -0.491 4.223) 7.572 8.403 ( 9.198 0.791 -3.417) 9.844 8.835 ( -8.751 2.703 0.724) 9.188 9.769 ( -11.457 1.152 -0.877) 11.548 9.864 ( 1.612 5.913 0.294) 6.136 10.223 ( -5.254 2.093 1.485) 5.847 10.496 ( 0.710 -5.149 2.273) 5.673 11.098 ( 8.076 0.673 -7.513) 11.051 12.537 ( -0.755 -6.293 -5.970) 8.707 13.403 ( 4.818 8.412 3.223) 10.216 14.187 ( -4.221 -0.367 6.336) 7.623 14.650 ( -1.823 -3.566 0.900) 4.104 14.908 ( 20.436 -11.452 9.723) 25.364 16.183 ( 9.328 -0.291 -5.295) 10.730 16.628 ( -11.275 4.855 2.235) 12.478 17.833 ( -12.167 8.769 9.269) 17.630 18.863 ( -2.250 -3.239 -11.610) 12.262 19.936 ( -1.302 -2.340 -0.443) 2.714 20.042 ( 1.792 2.621 -2.125) 3.821 20.114 ( 0.264 -0.230 1.569) 1.608 ======================= Grid point 261 (151/294) ======================= q-point: ( 0.25 -0.25 0.08) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.077 ( 6.657 -8.780 4.391) 11.861 2.543 ( 12.975 8.226 5.001) 16.157 2.581 ( -0.698 1.687 2.873) 3.404 3.226 ( -6.832 8.897 -0.387) 11.225 3.718 ( -3.435 -13.445 -11.118) 17.781 4.144 ( 5.295 8.022 -0.845) 9.649 4.361 ( -4.514 8.010 -0.820) 9.231 4.864 ( 11.179 -14.320 -2.857) 18.390 5.896 ( -15.469 -0.501 3.679) 15.909 6.784 ( 36.187 -2.205 0.935) 36.266 8.055 ( -9.910 3.030 3.774) 11.029 8.502 ( 1.160 -2.959 -2.133) 3.827 8.767 ( 0.843 1.086 2.341) 2.715 9.590 ( -10.308 0.489 -2.003) 10.512 9.900 ( -1.195 1.071 0.061) 1.606 10.201 ( -3.131 5.192 1.428) 6.229 10.451 ( 0.538 -5.576 -1.597) 5.825 11.211 ( 5.644 4.766 -3.792) 8.304 12.426 ( -1.833 -5.612 -3.840) 7.042 13.572 ( 2.935 10.242 1.234) 10.725 14.148 ( -2.796 -1.764 4.444) 5.538 14.611 ( 1.360 -6.117 4.696) 7.831 15.196 ( 22.163 -11.674 7.446) 26.133 16.278 ( 1.655 0.502 -6.059) 6.301 16.527 ( -4.274 3.805 3.607) 6.764 17.784 ( -11.465 11.303 7.356) 17.700 18.694 ( -4.983 -6.472 -10.438) 13.254 19.898 ( -1.069 -0.880 -0.671) 1.539 20.056 ( -0.724 1.404 -1.854) 2.436 20.149 ( 2.801 0.469 1.084) 3.039 ======================= Grid point 262 (152/294) ======================= q-point: ( 0.33 -0.25 0.08) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.103 ( 3.982 -6.430 2.966) 8.124 2.667 ( 5.629 2.789 3.371) 7.130 2.790 ( 4.283 5.602 3.306) 7.788 3.181 ( -2.285 0.394 -0.836) 2.465 3.464 ( -7.856 -5.018 -8.997) 12.956 4.211 ( -4.796 4.319 -0.105) 6.455 4.532 ( 11.345 15.138 1.261) 18.959 4.911 ( 13.571 -15.848 -2.313) 20.992 5.597 ( -21.052 -1.726 1.537) 21.179 7.335 ( 30.036 2.567 -0.627) 30.152 7.955 ( -10.646 6.325 4.274) 13.100 8.326 ( -8.956 -13.249 -0.745) 16.010 8.923 ( 10.294 4.572 1.462) 11.358 9.418 ( -9.021 -1.454 -2.158) 9.389 9.881 ( -0.448 -0.656 -0.125) 0.804 10.203 ( -2.082 1.176 3.199) 3.994 10.410 ( -0.682 -0.003 -3.925) 3.984 11.304 ( 1.106 5.973 -1.661) 6.298 12.345 ( -1.642 -1.923 -1.415) 2.898 13.712 ( 4.435 7.201 0.013) 8.457 14.109 ( -0.827 -4.597 1.924) 5.051 14.628 ( 4.445 -6.404 4.265) 8.886 15.488 ( 19.946 -6.896 5.111) 21.714 16.123 ( -13.584 -1.766 -2.050) 13.851 16.638 ( 8.837 3.473 -0.980) 9.546 17.746 ( -9.414 8.922 5.544) 14.105 18.483 ( -7.360 -5.526 -7.331) 11.767 19.880 ( -0.566 0.559 -0.211) 0.823 20.039 ( -1.326 0.722 -1.233) 1.949 20.210 ( 3.225 0.588 0.617) 3.336 ======================= Grid point 263 (153/294) ======================= q-point: ( 0.42 -0.25 0.08) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.150 ( 6.478 -3.704 1.623) 7.637 2.760 ( -2.390 -7.314 0.842) 7.741 2.808 ( 1.951 3.231 -2.361) 4.452 3.190 ( 2.747 -4.686 1.299) 5.585 3.342 ( -4.416 10.798 -1.543) 11.768 4.146 ( -6.752 3.478 0.336) 7.602 4.845 ( 6.737 -2.537 -0.154) 7.200 4.992 ( 10.410 3.112 1.109) 10.922 5.269 ( -12.147 -1.677 -0.745) 12.285 7.758 ( 18.214 3.636 -2.995) 18.813 7.802 ( -16.999 -5.340 3.376) 18.135 8.091 ( -1.606 -5.181 -0.534) 5.450 9.138 ( 9.440 -0.019 0.875) 9.480 9.253 ( -7.449 1.488 -1.233) 7.695 9.885 ( 1.335 0.331 -0.437) 1.443 10.216 ( 2.281 -1.734 4.078) 4.984 10.367 ( -4.119 2.375 -2.528) 5.385 11.331 ( -3.550 4.920 -0.487) 6.087 12.328 ( -0.117 2.263 0.037) 2.266 13.843 ( 3.927 2.512 -0.627) 4.704 14.065 ( 2.945 -4.907 -1.730) 5.978 14.669 ( 5.104 -6.016 2.708) 8.341 15.708 ( 7.934 -15.539 1.323) 17.498 15.906 ( -5.502 8.372 -0.014) 10.018 16.793 ( 7.064 3.187 -4.799) 9.116 17.709 ( -4.503 1.569 4.918) 6.850 18.288 ( -9.921 0.253 -2.014) 10.126 19.888 ( 0.140 1.567 0.521) 1.657 20.016 ( -1.482 0.414 -0.682) 1.683 20.267 ( 2.732 0.489 0.217) 2.784 ======================= Grid point 264 (154/294) ======================= q-point: (-0.50 -0.25 0.08) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.259 ( 9.592 -2.890 -0.227) 10.020 2.613 ( -2.089 -7.936 -4.590) 9.403 2.796 ( -2.985 -4.757 -0.267) 5.622 3.167 ( -3.922 2.907 -0.010) 4.882 3.458 ( 1.291 11.236 3.464) 11.828 4.082 ( -5.098 2.427 3.196) 6.488 4.636 ( -15.216 -5.913 -1.302) 16.376 5.147 ( 6.470 -4.467 -3.784) 8.725 5.402 ( 14.596 11.677 3.144) 18.954 7.349 ( -19.434 -24.545 0.274) 31.308 7.945 ( 6.656 0.464 -0.958) 6.740 8.184 ( 3.817 13.330 -2.762) 14.138 9.040 ( -4.179 -10.571 -1.259) 11.437 9.386 ( 6.140 10.135 1.533) 11.949 9.924 ( 2.136 2.513 -0.458) 3.329 10.252 ( -3.860 2.675 -3.499) 5.856 10.335 ( 4.336 -3.751 7.525) 9.460 11.271 ( -7.917 2.137 0.178) 8.203 12.383 ( 2.410 5.028 0.093) 5.577 13.784 ( -8.247 -3.937 0.368) 9.146 14.174 ( 13.955 -0.170 -7.031) 15.628 14.706 ( 4.458 -5.404 1.572) 7.180 15.474 ( -5.125 -20.397 -1.554) 21.088 16.119 ( 9.766 11.917 0.503) 15.416 16.835 ( -0.095 1.601 -10.960) 11.077 17.707 ( 2.434 -5.431 9.361) 11.093 18.154 ( -11.299 7.981 2.308) 14.025 19.917 ( 0.787 1.871 0.838) 2.196 19.993 ( -1.523 0.367 0.251) 1.587 20.306 ( 1.537 0.484 -0.533) 1.698 ======================= Grid point 265 (155/294) ======================= q-point: (-0.42 -0.25 0.08) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.353 ( 7.257 -8.077 -5.738) 12.281 2.513 ( 0.476 -5.239 -3.695) 6.428 2.693 ( -1.032 -6.800 3.596) 7.761 3.081 ( -11.655 7.173 -3.443) 14.112 3.580 ( 1.084 6.734 3.658) 7.740 4.072 ( -3.891 3.149 7.257) 8.816 4.393 ( -9.783 2.068 -1.130) 10.062 5.175 ( 6.612 -6.757 -6.190) 11.300 5.755 ( 12.979 10.636 2.213) 16.926 6.769 ( -17.585 -32.679 -0.720) 37.117 8.044 ( 5.923 -0.265 0.116) 5.930 8.328 ( -0.908 14.286 -3.373) 14.707 8.891 ( -1.490 -7.936 -1.196) 8.163 9.573 ( 4.698 8.922 1.057) 10.138 9.981 ( 0.741 2.372 -0.629) 2.563 10.166 ( -6.518 6.144 -0.845) 8.997 10.463 ( 9.824 -5.993 7.052) 13.497 11.116 ( -11.408 -1.426 -0.046) 11.497 12.483 ( 3.666 4.565 -0.842) 5.915 13.582 ( -11.867 -2.764 1.475) 12.274 14.347 ( 12.812 -2.451 -9.488) 16.130 14.725 ( 2.537 -4.092 0.004) 4.814 15.238 ( 3.158 -21.576 -3.003) 22.012 16.372 ( 7.199 10.090 -1.171) 12.450 16.706 ( -6.111 0.259 -14.363) 15.611 17.800 ( 6.811 -6.624 17.002) 19.477 18.095 ( -9.642 12.960 2.202) 16.303 19.942 ( 0.137 0.297 -0.151) 0.361 19.987 ( -0.611 1.730 2.149) 2.826 20.316 ( -0.236 0.518 -1.714) 1.806 ======================= Grid point 266 (156/294) ======================= q-point: (-0.33 -0.25 0.08) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.225 ( 1.341 -15.149 -14.220) 20.821 2.531 ( 3.896 -2.007 3.961) 5.907 2.631 ( -2.194 -11.077 -1.176) 11.353 2.981 ( -5.550 13.150 -2.176) 14.438 3.672 ( 2.103 2.440 4.445) 5.490 4.041 ( -9.533 3.931 7.278) 12.622 4.357 ( -1.047 7.225 0.103) 7.301 5.144 ( 0.833 -6.289 -8.073) 10.267 6.028 ( 10.011 4.868 -0.740) 11.157 6.213 ( -9.869 -32.984 0.231) 34.429 8.120 ( 5.032 -4.017 1.018) 6.519 8.378 ( -2.906 7.298 -2.257) 8.173 8.858 ( 1.513 2.602 -1.702) 3.458 9.711 ( 3.005 5.999 0.507) 6.728 9.938 ( -5.295 1.009 -0.354) 5.402 10.214 ( 0.007 11.152 1.907) 11.314 10.598 ( 9.754 -6.953 5.640) 13.240 10.886 ( -12.702 -4.215 -0.903) 13.413 12.542 ( 0.073 0.893 -1.239) 1.529 13.406 ( -7.226 -1.875 2.187) 7.780 14.415 ( 7.509 -8.095 -6.918) 13.030 14.704 ( -0.410 -1.128 -4.164) 4.333 15.148 ( 9.696 -17.425 -5.075) 20.577 16.352 ( -8.974 -4.358 -8.858) 13.341 16.687 ( 4.568 11.568 -6.440) 14.006 17.980 ( 8.095 -5.148 22.614) 24.564 18.106 ( -5.799 15.011 -0.218) 16.094 19.931 ( -0.954 -0.727 0.691) 1.384 20.019 ( 0.220 2.269 1.781) 2.893 20.287 ( -2.200 0.274 -3.240) 3.926 ======================= Grid point 267 (157/294) ======================= q-point: (-0.25 -0.25 0.08) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.041 ( 5.022 -15.969 -17.402) 24.147 2.400 ( -2.789 -14.999 -7.861) 17.162 2.624 ( 1.674 4.029 3.794) 5.782 3.112 ( 4.590 10.728 3.911) 12.307 3.730 ( 2.749 -4.493 4.881) 7.181 3.919 ( -13.671 1.787 5.828) 14.968 4.447 ( 2.100 9.272 -0.359) 9.514 4.966 ( -8.890 -7.551 -6.736) 13.469 5.853 ( 5.426 -29.635 -2.408) 30.224 6.200 ( 3.936 4.435 -1.384) 6.089 8.144 ( 3.577 -6.639 2.686) 8.005 8.368 ( -0.700 0.706 -3.832) 3.959 8.945 ( 1.014 11.044 -0.683) 11.112 9.784 ( 3.680 -1.831 -0.042) 4.111 9.898 ( -5.170 8.126 2.798) 10.029 10.304 ( -3.725 6.698 2.246) 7.987 10.654 ( -5.790 -3.285 -4.696) 8.147 10.720 ( 6.906 -4.806 7.121) 11.023 12.480 ( -5.976 -2.407 1.416) 6.596 13.356 ( 3.727 -3.979 -0.863) 5.520 14.383 ( 4.353 -12.310 -3.679) 13.566 14.656 ( -2.407 1.482 -5.970) 6.605 15.097 ( 2.731 -10.294 -7.614) 13.091 16.117 ( -6.514 -5.133 -6.213) 10.362 16.825 ( 2.839 9.361 -5.093) 11.029 18.140 ( -0.261 6.238 4.647) 7.782 18.252 ( 6.719 6.566 17.433) 19.803 19.911 ( -1.383 -0.957 2.047) 2.650 20.046 ( -0.204 1.881 0.320) 1.919 20.217 ( -3.176 -0.561 -4.421) 5.472 ======================= Grid point 268 (158/294) ======================= q-point: (-0.17 -0.25 0.08) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.847 ( 1.418 -17.385 -17.888) 24.985 2.261 ( 9.758 -13.623 -11.858) 20.528 2.700 ( -0.476 5.556 3.400) 6.531 3.319 ( 6.973 2.083 6.955) 10.066 3.699 ( -15.200 2.539 1.507) 15.485 3.755 ( 8.642 -14.248 6.274) 17.806 4.579 ( 2.074 10.684 -0.667) 10.904 4.712 ( -11.476 -3.041 -2.052) 12.048 5.743 ( 12.145 -22.903 -5.447) 26.490 6.240 ( -0.868 1.754 -2.509) 3.182 8.163 ( 3.695 -5.510 3.521) 7.510 8.328 ( 0.499 -2.619 -6.053) 6.614 9.058 ( -1.438 13.010 -0.089) 13.090 9.824 ( 2.199 -2.360 0.231) 3.234 9.917 ( -3.190 4.611 5.635) 7.949 10.211 ( -6.675 -2.285 0.835) 7.105 10.616 ( -2.958 9.592 -1.711) 10.183 10.837 ( 9.555 -6.049 3.662) 11.887 12.366 ( -5.552 -2.725 4.096) 7.418 13.425 ( 11.358 -6.000 -2.923) 13.174 14.269 ( 1.973 -19.276 -5.652) 20.184 14.573 ( -6.132 0.637 -2.087) 6.509 14.979 ( -5.848 3.778 -8.685) 11.131 16.006 ( 1.476 -5.831 -1.847) 6.292 16.889 ( -0.820 6.577 -4.302) 7.902 18.196 ( -3.467 5.235 5.938) 8.642 18.545 ( 8.717 9.114 12.052) 17.445 19.889 ( -1.892 -1.061 2.973) 3.680 20.045 ( -0.493 0.373 -2.490) 2.565 20.147 ( -1.570 -0.838 -2.526) 3.090 ======================= Grid point 269 (159/294) ======================= q-point: (-0.08 -0.25 0.08) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( 3.463 -17.463 -15.896) 23.867 2.259 ( 12.724 -18.736 -8.148) 24.069 2.751 ( -2.017 6.224 2.228) 6.912 3.296 ( -6.438 -7.672 3.944) 10.764 3.658 ( 2.773 6.702 -1.506) 7.407 3.899 ( 18.572 -9.478 8.064) 22.356 4.490 ( -13.455 0.812 0.735) 13.500 4.707 ( 1.362 8.220 -0.787) 8.370 5.723 ( 14.188 -20.148 -7.586) 25.784 6.199 ( -3.562 1.023 -1.483) 3.992 8.189 ( 2.728 -4.926 3.879) 6.838 8.281 ( 1.853 -2.742 -7.465) 8.166 9.126 ( -5.313 12.929 -0.977) 14.012 9.722 ( -7.059 -4.900 1.666) 8.753 10.015 ( 7.721 -1.461 6.215) 10.019 10.152 ( -3.526 3.566 1.690) 5.292 10.629 ( -7.569 11.122 -1.058) 13.495 10.950 ( 10.194 -6.920 -0.051) 12.321 12.333 ( 1.012 0.245 4.077) 4.208 13.539 ( 7.256 -6.187 -0.120) 9.536 14.050 ( 7.236 -26.582 -7.940) 28.670 14.481 ( -7.123 3.843 2.568) 8.491 14.903 ( -8.019 12.448 -7.857) 16.763 16.008 ( 5.472 -6.643 0.705) 8.635 16.882 ( -3.965 5.382 -3.668) 7.624 18.173 ( -9.167 1.167 11.046) 14.402 18.798 ( 6.059 11.053 -1.031) 12.646 19.876 ( -0.117 -0.346 2.452) 2.479 20.027 ( 1.021 -2.006 -1.386) 2.644 20.122 ( -0.732 0.250 -0.242) 0.810 ======================= Grid point 272 (160/294) ======================= q-point: ( 0.17 -0.17 0.08) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( 21.067 -7.397 8.378) 23.848 2.081 ( 17.429 -0.033 9.790) 19.990 2.744 ( -8.169 2.301 -1.528) 8.624 3.404 ( 1.813 9.550 -3.036) 10.184 3.729 ( -1.802 -17.178 -2.443) 17.445 3.890 ( 12.120 2.298 -9.298) 15.448 4.560 ( -5.328 7.891 1.554) 9.648 4.697 ( -1.433 -8.667 -0.923) 8.833 5.676 ( 25.281 -4.363 2.329) 25.760 6.192 ( -2.931 0.212 3.399) 4.493 8.204 ( 0.999 -1.275 3.862) 4.188 8.244 ( 8.004 -0.729 -1.481) 8.173 9.061 ( -12.971 4.570 -0.429) 13.759 9.819 ( 2.723 1.628 0.753) 3.261 9.999 ( -6.113 1.388 -3.607) 7.233 10.209 ( 1.179 -5.189 1.270) 5.470 10.591 ( -10.844 3.422 1.155) 11.430 10.910 ( 10.248 0.922 -5.167) 11.514 12.452 ( -0.031 -5.651 -6.237) 8.416 13.376 ( 10.196 8.011 3.018) 13.313 14.144 ( 17.144 -10.955 9.416) 22.418 14.548 ( -2.420 -1.182 0.499) 2.739 14.860 ( -10.703 -0.906 4.803) 11.766 16.015 ( 8.160 -0.497 -2.679) 8.603 16.832 ( -7.527 2.554 2.432) 8.312 18.150 ( -10.518 7.639 8.322) 15.435 18.796 ( -1.318 -1.437 -13.063) 13.208 19.928 ( -0.862 -2.463 -0.966) 2.782 20.014 ( 2.666 1.434 -0.875) 3.151 20.123 ( -0.659 -0.232 0.781) 1.048 ======================= Grid point 273 (161/294) ======================= q-point: ( 0.25 -0.17 0.08) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.866 ( 13.535 -8.036 8.077) 17.692 2.448 ( 14.257 8.812 8.061) 18.598 2.649 ( -4.388 1.531 0.773) 4.712 3.439 ( -10.817 1.877 0.037) 10.979 3.518 ( 4.641 -8.583 -9.265) 13.455 4.095 ( 9.643 7.850 -4.937) 13.378 4.495 ( -5.230 -0.404 0.321) 5.255 4.628 ( 2.379 -4.904 -2.681) 6.074 6.104 ( -6.951 -0.635 0.924) 7.040 6.183 ( 33.260 -1.884 6.515) 33.944 8.198 ( -3.382 0.155 3.595) 4.938 8.383 ( 8.917 -0.342 -0.823) 8.961 8.888 ( -11.633 1.228 1.406) 11.781 9.733 ( -7.739 -3.116 -1.591) 8.493 9.949 ( -4.440 3.030 -2.797) 6.059 10.235 ( 5.817 1.134 -2.276) 6.348 10.445 ( -8.291 -2.042 1.194) 8.622 11.097 ( 10.779 4.288 -2.150) 11.798 12.374 ( -0.158 -3.077 -4.921) 5.806 13.602 ( 5.531 7.150 2.348) 9.339 14.236 ( -4.075 -1.802 5.823) 7.332 14.577 ( 4.515 -4.024 -0.350) 6.058 14.794 ( 10.774 -10.256 9.012) 17.392 16.148 ( 8.865 1.697 -3.809) 9.797 16.722 ( -10.041 0.767 4.691) 11.109 18.080 ( -10.171 5.130 2.652) 11.696 18.674 ( -4.525 -0.447 -8.126) 9.311 19.894 ( -0.317 -0.954 -1.464) 1.776 20.058 ( 1.418 1.643 -2.041) 2.979 20.122 ( 0.806 -0.756 1.411) 1.792 ======================= Grid point 274 (162/294) ======================= q-point: ( 0.33 -0.17 0.08) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.000 ( 5.934 -4.169 5.449) 9.071 2.636 ( 2.750 0.614 0.916) 2.963 2.770 ( 7.942 7.040 6.780) 12.594 3.179 ( -6.239 -14.321 -5.203) 16.465 3.523 ( -3.609 7.682 -4.606) 9.656 4.281 ( 5.756 6.396 -2.907) 9.082 4.442 ( 2.002 -4.771 0.756) 5.229 4.679 ( 7.078 4.414 0.127) 8.343 5.888 ( -16.203 -2.688 0.154) 16.425 6.803 ( 36.373 1.103 4.053) 36.615 8.160 ( -4.853 3.376 3.373) 6.807 8.377 ( -8.881 -7.539 -1.104) 11.702 8.824 ( 4.399 1.678 2.377) 5.274 9.556 ( -9.987 -0.898 -2.750) 10.398 9.883 ( -1.750 -1.705 -1.419) 2.826 10.292 ( -6.386 -0.742 2.985) 7.088 10.360 ( 4.940 2.126 -4.935) 7.299 11.280 ( 6.919 4.794 -1.273) 8.513 12.340 ( -0.163 1.088 -2.932) 3.132 13.713 ( 2.516 1.616 2.314) 3.781 14.138 ( -5.810 -3.334 1.610) 6.889 14.556 ( 0.013 -3.601 2.140) 4.189 15.092 ( 23.739 -5.794 6.508) 25.288 16.230 ( -0.550 1.599 -5.927) 6.164 16.620 ( -3.592 -0.765 7.645) 8.482 17.932 ( -8.265 -3.231 -4.494) 9.947 18.573 ( -7.588 5.901 -1.153) 9.681 19.884 ( 0.176 0.583 -1.192) 1.338 20.061 ( -0.963 1.103 -1.474) 2.078 20.158 ( 3.316 -0.754 0.840) 3.503 ======================= Grid point 275 (163/294) ======================= q-point: ( 0.42 -0.17 0.08) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.064 ( 2.765 -0.820 2.693) 3.946 2.691 ( 2.761 -7.412 1.835) 8.119 2.820 ( -3.689 -1.626 -3.748) 5.505 3.078 ( 6.483 -3.776 1.344) 7.622 3.513 ( -4.628 11.164 -0.970) 12.124 4.302 ( -6.362 5.989 -2.294) 9.033 4.496 ( 14.068 -15.106 -0.856) 20.660 4.958 ( 11.792 15.905 4.733) 20.358 5.550 ( -20.519 -2.784 -2.292) 20.833 7.368 ( 28.154 -0.119 1.967) 28.223 8.014 ( -17.423 -15.431 -2.163) 23.374 8.165 ( -4.274 9.106 4.229) 10.912 8.986 ( 9.080 -0.620 0.488) 9.114 9.386 ( -7.868 1.769 -1.994) 8.307 9.860 ( 1.067 -0.797 -0.524) 1.431 10.203 ( -1.897 -4.495 2.665) 5.559 10.421 ( -0.116 4.495 -2.794) 5.294 11.384 ( 1.703 3.696 -1.329) 4.281 12.354 ( -0.010 4.582 -1.220) 4.741 13.772 ( 4.334 -2.289 1.286) 5.067 14.027 ( -3.352 -4.339 -0.271) 5.490 14.557 ( 3.260 -3.581 0.376) 4.857 15.417 ( 15.800 -5.707 3.718) 17.206 16.094 ( -10.367 2.891 -3.638) 11.361 16.695 ( 6.112 -0.439 4.989) 7.902 17.732 ( -4.085 -8.934 -6.741) 11.914 18.517 ( -10.152 10.551 3.750) 15.115 19.896 ( 0.571 1.559 -0.585) 1.760 20.042 ( -1.436 0.758 -0.665) 1.755 20.212 ( 3.763 -0.835 -0.023) 3.855 ======================= Grid point 276 (164/294) ======================= q-point: (-0.50 -0.17 0.08) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.118 ( 4.094 -1.323 -0.034) 4.303 2.558 ( -2.957 -9.411 -2.153) 10.097 2.775 ( -1.266 -5.063 -2.410) 5.748 3.165 ( 5.633 -0.690 1.961) 6.004 3.601 ( -1.210 14.367 2.470) 14.628 4.220 ( -7.261 3.299 -0.457) 7.989 4.552 ( 9.511 -14.009 -1.755) 17.024 5.196 ( -16.130 -1.035 -4.916) 16.895 5.344 ( 12.343 16.027 5.817) 21.048 7.391 ( -15.869 -28.906 -0.320) 32.977 7.831 ( 8.690 5.039 -1.084) 10.104 8.267 ( 1.645 13.491 2.044) 13.744 8.980 ( -1.957 -10.015 -2.583) 10.526 9.412 ( 3.605 10.026 1.015) 10.702 9.896 ( 3.320 1.263 -0.150) 3.555 10.190 ( 3.736 -4.669 2.901) 6.647 10.403 ( -4.808 2.320 -0.246) 5.344 11.386 ( -3.742 1.319 -0.991) 4.090 12.408 ( 0.675 6.426 -0.716) 6.501 13.790 ( 1.410 -7.279 -1.068) 7.491 13.994 ( 4.172 -0.389 -1.011) 4.310 14.590 ( 4.561 -2.406 -1.894) 5.494 15.386 ( -6.635 -17.058 -0.820) 18.321 16.110 ( 5.208 11.744 0.218) 12.849 16.777 ( 2.528 -1.968 -2.371) 3.985 17.609 ( 3.133 -8.967 -0.053) 9.499 18.473 ( -11.805 12.283 5.850) 18.012 19.922 ( 0.791 1.781 -0.333) 1.977 20.025 ( -1.372 0.754 0.386) 1.612 20.260 ( 3.387 -0.844 -1.100) 3.660 ======================= Grid point 277 (165/294) ======================= q-point: (-0.42 -0.17 0.08) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.144 ( 4.068 -7.074 -5.570) 9.880 2.464 ( -0.439 -3.662 -0.248) 3.697 2.642 ( -2.274 -11.163 -0.178) 11.394 3.257 ( 0.070 5.420 1.753) 5.697 3.682 ( -4.918 9.137 -0.472) 10.387 4.169 ( -1.383 1.694 3.993) 4.553 4.509 ( -2.515 -3.344 -1.900) 4.596 5.009 ( -0.725 -2.497 -7.569) 8.003 5.696 ( 10.373 12.432 4.998) 16.945 6.764 ( -21.231 -33.914 -1.592) 40.043 7.974 ( 4.221 2.420 0.942) 4.956 8.440 ( 1.203 12.139 -0.816) 12.226 8.833 ( -1.262 -6.913 -2.258) 7.381 9.590 ( 4.616 9.532 0.794) 10.621 9.980 ( 3.430 3.678 -0.176) 5.032 10.262 ( 7.342 -2.960 1.824) 8.124 10.328 ( -4.975 -0.663 3.051) 5.874 11.274 ( -9.068 -1.986 -0.462) 9.295 12.479 ( 1.453 5.758 -1.776) 6.198 13.692 ( -4.259 -6.005 -0.064) 7.362 14.101 ( 9.219 -2.013 -2.418) 9.741 14.638 ( 4.567 -0.198 -3.066) 5.504 15.048 ( -7.911 -19.624 -4.157) 21.563 16.340 ( 7.362 8.932 0.526) 11.586 16.705 ( -2.828 -2.076 -10.093) 10.686 17.679 ( 9.393 -5.812 10.844) 15.480 18.428 ( -12.181 12.847 5.857) 18.647 19.942 ( 0.232 0.812 -0.833) 1.186 20.024 ( -0.606 1.450 1.842) 2.421 20.290 ( 2.213 -0.637 -2.522) 3.415 ======================= Grid point 278 (166/294) ======================= q-point: (-0.33 -0.17 0.08) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.005 ( -1.966 -14.256 -13.469) 19.711 2.414 ( 1.744 -15.698 2.683) 16.021 2.585 ( 1.843 -0.388 3.496) 3.971 3.244 ( -10.922 12.247 -1.220) 16.455 3.675 ( 1.080 0.964 -0.337) 1.486 4.216 ( -1.754 2.441 5.645) 6.396 4.442 ( -3.967 5.234 -2.770) 7.128 4.985 ( 5.391 -4.133 -9.213) 11.446 5.935 ( 2.749 0.034 1.645) 3.203 6.129 ( -12.778 -26.883 0.529) 29.770 8.041 ( 2.441 -1.299 2.207) 3.538 8.444 ( -3.849 -1.845 -1.964) 4.699 8.868 ( 3.804 9.551 -1.348) 10.369 9.719 ( 1.822 5.240 -0.499) 5.570 10.030 ( -2.228 3.674 1.095) 4.434 10.319 ( 1.507 3.353 2.771) 4.603 10.380 ( 8.773 -2.867 1.671) 9.379 11.060 ( -12.551 -4.612 0.199) 13.373 12.528 ( 1.138 2.727 -3.516) 4.593 13.543 ( -9.383 -4.307 2.799) 10.697 14.163 ( 6.942 -13.583 0.209) 15.256 14.688 ( 0.924 3.360 -5.825) 6.788 14.830 ( 6.408 -10.851 -7.663) 14.749 16.369 ( -4.543 -6.232 -6.895) 10.346 16.692 ( 3.769 10.026 -4.867) 11.764 17.888 ( 11.212 -3.751 17.660) 21.253 18.390 ( -10.666 13.057 4.340) 17.409 19.937 ( -0.425 -0.223 -0.508) 0.699 20.048 ( 0.021 1.888 1.958) 2.720 20.287 ( 0.139 -0.372 -4.200) 4.219 ======================= Grid point 279 (167/294) ======================= q-point: (-0.25 -0.17 0.08) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( -0.394 -17.951 -18.061) 25.468 2.221 ( -1.942 -25.138 -0.487) 25.217 2.682 ( 1.782 7.294 4.584) 8.797 3.208 ( -4.495 9.281 -0.534) 10.326 3.697 ( 0.355 -4.057 2.346) 4.700 4.155 ( -9.848 -0.765 2.541) 10.199 4.462 ( 2.077 6.366 -4.068) 7.835 4.958 ( 0.463 -2.108 -9.267) 9.516 5.579 ( -5.903 -25.394 0.961) 26.089 6.155 ( 4.971 2.391 0.935) 5.595 8.058 ( 1.764 -5.073 3.767) 6.560 8.348 ( -1.811 -4.115 -3.551) 5.730 9.041 ( 2.831 14.511 0.356) 14.789 9.729 ( -0.806 -1.999 -1.861) 2.848 10.047 ( -1.750 5.365 4.779) 7.395 10.383 ( 2.626 -4.841 -2.324) 5.978 10.517 ( 4.579 6.669 2.027) 8.340 10.833 ( -9.324 -2.247 2.216) 9.844 12.521 ( -1.069 -0.480 -2.993) 3.215 13.343 ( -9.210 -7.723 3.269) 12.456 14.099 ( 7.598 -23.469 0.585) 24.675 14.678 ( -0.137 4.869 -8.619) 9.900 14.922 ( 8.858 3.836 -5.769) 11.246 16.147 ( -7.749 -7.148 -7.118) 12.721 16.832 ( 3.677 8.374 -2.868) 9.585 18.142 ( 9.579 -1.708 18.140) 20.584 18.395 ( -5.267 12.370 4.731) 14.253 19.924 ( -0.443 -0.658 0.445) 0.910 20.072 ( -0.342 1.692 0.865) 1.931 20.236 ( -2.453 -0.463 -5.682) 6.206 ======================= Grid point 280 (168/294) ======================= q-point: (-0.17 -0.17 0.08) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( 5.818 -19.037 -21.195) 29.078 1.935 ( 0.710 -25.210 -6.816) 26.125 2.795 ( -0.380 7.308 5.020) 8.874 3.191 ( 2.884 -17.794 1.145) 18.063 3.642 ( -1.408 -2.453 5.452) 6.142 3.962 ( -13.064 1.627 0.925) 13.197 4.585 ( 6.420 9.147 -5.149) 12.304 4.866 ( -6.959 3.740 -6.015) 9.930 5.396 ( 4.659 -16.399 0.019) 17.048 6.216 ( 2.117 -1.405 -1.369) 2.886 8.071 ( 3.423 -4.999 4.490) 7.541 8.264 ( -0.825 -4.328 -5.263) 6.864 9.210 ( -0.490 14.676 1.201) 14.733 9.698 ( 4.409 -5.429 -1.132) 7.084 10.100 ( -5.971 4.676 6.933) 10.275 10.237 ( -2.958 -10.904 -4.396) 12.123 10.651 ( 3.336 4.574 3.551) 6.683 10.809 ( -0.864 8.735 0.687) 8.804 12.455 ( -4.795 -2.247 1.823) 5.600 13.194 ( 2.692 -11.165 -0.416) 11.493 13.971 ( 4.844 -25.137 -4.555) 26.001 14.674 ( -2.899 5.443 -2.241) 6.562 15.057 ( 1.529 11.714 -4.898) 12.788 15.953 ( -3.717 -6.359 -3.488) 8.150 16.919 ( 1.214 4.977 -2.494) 5.698 18.297 ( 0.347 4.525 4.898) 6.678 18.562 ( 6.843 7.310 14.179) 17.358 19.917 ( -0.485 -0.890 1.971) 2.217 20.059 ( -2.806 0.544 -3.563) 4.568 20.156 ( -2.107 -0.557 -3.293) 3.948 ======================= Grid point 281 (169/294) ======================= q-point: (-0.08 -0.17 0.08) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( 3.718 -20.927 -18.508) 28.184 1.768 ( 13.859 -23.989 -11.920) 30.160 2.839 ( 3.419 -10.174 6.453) 12.523 3.030 ( 6.591 -21.878 -0.025) 22.849 3.752 ( 2.164 3.837 13.288) 13.999 3.804 ( -7.888 8.302 -2.553) 11.733 4.724 ( -7.636 5.757 -6.285) 11.444 4.740 ( -0.434 7.988 -3.023) 8.552 5.365 ( 7.942 -12.151 -2.075) 14.664 6.198 ( 0.452 -3.431 -1.990) 3.992 8.110 ( 2.569 -4.544 3.556) 6.316 8.198 ( 1.732 -2.638 -6.306) 7.051 9.294 ( -3.124 10.541 0.002) 10.994 9.783 ( 5.636 -1.873 0.658) 5.976 9.878 ( -7.145 -11.550 2.019) 13.730 10.257 ( 1.554 3.563 3.646) 5.329 10.757 ( 4.825 0.186 2.566) 5.468 10.869 ( -5.401 12.768 -1.944) 13.999 12.373 ( -3.651 -1.909 4.938) 6.431 13.254 ( 16.908 -9.523 -0.388) 19.409 13.708 ( -2.260 -26.355 -9.413) 28.077 14.663 ( -5.774 5.932 4.967) 9.654 15.123 ( -5.931 15.560 -4.720) 17.308 15.880 ( 2.720 -6.159 0.212) 6.736 16.944 ( -0.935 2.910 -2.059) 3.685 18.339 ( -3.147 3.475 4.889) 6.774 18.803 ( 5.277 7.967 3.451) 10.160 19.903 ( -2.041 -1.007 2.764) 3.581 19.986 ( -0.039 -1.782 -3.226) 3.685 20.134 ( -0.443 0.395 -0.135) 0.608 ======================= Grid point 321 (170/294) ======================= q-point: ( 0.17 0.17 0.17) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.750 ( -0.000 0.000 22.553) 22.553 0.750 ( -0.000 0.000 22.553) 22.553 1.884 ( -0.000 0.000 53.765) 53.765 3.179 ( 0.000 -0.000 -4.508) 4.508 3.893 ( 0.000 -0.000 -14.135) 14.135 3.893 ( 0.000 -0.000 -14.135) 14.135 5.054 ( -0.000 0.000 6.037) 6.037 5.054 ( -0.000 0.000 6.037) 6.037 5.906 ( 0.000 -0.000 -2.605) 2.605 6.390 ( 0.000 -0.000 -8.198) 8.198 8.017 ( 0.000 0.000 -0.757) 0.757 8.017 ( 0.000 0.000 -0.757) 0.757 9.376 ( -0.000 0.000 1.460) 1.460 9.376 ( -0.000 0.000 1.460) 1.460 9.742 ( -0.000 0.000 0.554) 0.554 9.742 ( -0.000 0.000 0.554) 0.554 10.949 ( -0.000 0.000 2.003) 2.003 11.714 ( 0.000 -0.000 -3.634) 3.634 12.386 ( 0.000 0.000 0.287) 0.287 12.386 ( -0.000 0.000 0.287) 0.287 13.169 ( 0.000 0.000 -0.818) 0.818 13.169 ( 0.000 0.000 -0.818) 0.818 15.825 ( -0.000 0.000 7.029) 7.029 15.825 ( -0.000 0.000 7.029) 7.029 16.939 ( -0.000 0.000 0.350) 0.350 18.221 ( -0.000 0.000 0.769) 0.769 19.663 ( -0.000 0.000 2.180) 2.180 19.876 ( 0.000 -0.000 -1.927) 1.927 19.876 ( 0.000 -0.000 -1.927) 1.927 20.142 ( 0.000 -0.000 -0.257) 0.257 ======================= Grid point 322 (171/294) ======================= q-point: ( 0.25 0.17 0.17) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( 23.053 -7.763 15.289) 28.731 1.391 ( 21.714 18.595 20.914) 35.422 2.339 ( 16.165 13.878 43.992) 48.880 3.045 ( -7.273 -6.931 -4.322) 10.937 3.676 ( -7.535 3.433 -14.699) 16.871 3.973 ( 4.675 3.533 -12.579) 13.876 4.874 ( -10.276 -10.773 4.864) 15.662 5.223 ( 4.797 5.989 3.677) 8.509 5.882 ( -20.803 -11.803 1.964) 23.999 5.988 ( -2.283 -2.496 2.325) 4.105 7.940 ( 0.328 -3.969 -1.309) 4.192 8.166 ( 7.138 4.337 0.882) 8.399 9.307 ( -0.926 -1.209 -0.173) 1.533 9.632 ( 2.142 3.144 -3.004) 4.847 9.751 ( 1.471 2.768 0.299) 3.149 9.887 ( 17.223 9.686 -2.852) 19.964 10.908 ( -4.095 -2.438 1.785) 5.089 11.453 ( -16.693 -9.256 -1.042) 19.115 12.408 ( -0.679 10.534 -0.382) 10.563 12.667 ( 21.805 4.673 1.134) 22.329 13.085 ( 3.014 -9.351 -3.080) 10.297 13.660 ( 29.366 25.099 -12.527) 40.611 15.756 ( -5.592 -10.583 7.586) 14.171 15.899 ( -1.112 7.035 7.481) 10.329 16.970 ( 2.400 1.195 1.004) 2.863 18.147 ( -7.194 -5.122 0.046) 8.831 19.323 ( -15.854 -15.430 2.186) 22.231 19.880 ( -0.630 3.177 -1.943) 3.777 20.055 ( 5.933 5.997 0.464) 8.449 20.138 ( -0.163 -0.040 -0.345) 0.384 ======================= Grid point 323 (172/294) ======================= q-point: ( 0.33 0.17 0.17) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( 27.528 -4.172 7.844) 28.926 1.874 ( 9.631 5.506 25.785) 28.071 2.812 ( -5.261 -5.025 -5.413) 9.068 3.155 ( 30.550 22.363 24.219) 44.944 3.519 ( -9.227 5.604 -7.992) 13.432 3.973 ( -1.759 6.620 -11.260) 13.180 4.611 ( -11.338 -11.125 3.135) 16.191 5.263 ( -11.465 0.917 -1.210) 11.565 5.540 ( -0.156 -6.603 9.840) 11.851 6.065 ( 5.036 -1.029 -0.283) 5.148 7.937 ( 3.327 -1.954 -0.504) 3.891 8.305 ( 5.473 1.370 1.620) 5.870 9.339 ( 4.998 1.445 -1.137) 5.326 9.546 ( -8.302 -1.954 -1.203) 8.614 9.830 ( 4.014 3.261 0.802) 5.233 10.186 ( 7.348 6.998 -5.050) 11.335 10.826 ( -2.757 -2.524 -0.125) 3.741 11.107 ( -14.052 -6.773 -0.013) 15.599 12.512 ( -2.654 16.351 0.968) 16.593 13.012 ( 6.851 -4.617 -7.764) 11.337 13.178 ( 29.186 -1.402 4.584) 29.577 14.224 ( 19.284 21.336 -10.971) 30.781 15.555 ( -9.253 -13.366 8.062) 18.145 16.006 ( 0.088 8.744 6.729) 11.034 17.029 ( 1.730 0.582 2.876) 3.407 17.884 ( -14.088 -11.435 -2.991) 18.390 19.023 ( -5.953 -10.733 -1.178) 12.330 19.893 ( -0.172 3.268 -1.956) 3.813 20.111 ( -0.648 -0.323 -0.532) 0.899 20.172 ( 0.119 4.340 2.328) 4.926 ======================= Grid point 324 (173/294) ======================= q-point: ( 0.42 0.17 0.17) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.743 ( 19.784 -4.119 3.161) 20.454 2.164 ( 5.518 3.755 22.180) 23.163 2.684 ( 0.392 -5.099 -3.434) 6.160 3.348 ( -9.000 2.170 -6.346) 11.224 3.917 ( 2.109 9.535 -2.611) 10.108 3.986 ( 18.634 14.304 7.078) 24.535 4.359 ( -11.022 -4.240 2.318) 12.035 5.048 ( -10.701 3.324 1.934) 11.372 5.716 ( 16.681 -0.519 3.952) 17.150 6.083 ( 0.180 -4.866 0.408) 4.886 8.001 ( 5.181 0.112 0.632) 5.221 8.395 ( 4.354 0.314 0.845) 4.447 9.317 ( -10.331 -9.412 0.729) 13.994 9.480 ( 4.654 7.746 -3.004) 9.523 9.936 ( 4.014 2.272 1.595) 4.881 10.171 ( -7.398 -0.791 -2.706) 7.917 10.693 ( -8.026 -7.576 -1.337) 11.118 11.002 ( 2.474 5.799 -2.346) 6.727 12.631 ( -3.206 16.904 2.166) 17.341 12.997 ( 6.575 -8.167 -8.153) 13.282 13.738 ( 31.930 1.812 5.251) 32.410 14.550 ( 4.538 14.239 -0.496) 14.953 15.347 ( -6.451 -11.254 9.773) 16.241 16.128 ( 0.453 8.417 5.065) 9.834 17.052 ( -1.571 -1.803 5.616) 6.105 17.488 ( -14.682 -12.246 -9.762) 21.467 18.891 ( 0.494 -6.292 -5.011) 8.059 19.914 ( 0.163 3.388 -1.906) 3.891 20.085 ( -0.814 -1.108 -1.197) 1.822 20.202 ( -2.394 2.996 3.386) 5.116 ======================= Grid point 325 (174/294) ======================= q-point: ( 0.50 0.17 0.17) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.945 ( 10.091 -4.646 0.804) 11.138 2.389 ( 3.837 6.086 15.177) 16.796 2.686 ( 5.320 -5.444 -0.546) 7.631 3.175 ( -10.340 -0.823 -1.453) 10.474 3.898 ( -2.761 7.535 -8.272) 11.525 4.109 ( -6.423 -4.679 0.961) 8.005 4.381 ( 2.279 2.809 -0.537) 3.656 5.114 ( 5.146 12.696 6.569) 15.193 5.943 ( -3.495 -5.943 -1.961) 7.167 6.149 ( 23.886 4.985 5.250) 24.959 8.087 ( 3.334 -0.357 1.511) 3.677 8.472 ( 4.174 0.729 -0.861) 4.324 9.027 ( -13.490 -8.457 0.509) 15.930 9.611 ( 4.301 5.652 -1.774) 7.320 9.912 ( -8.573 -4.902 1.383) 9.972 10.062 ( -1.205 -0.728 -1.360) 1.957 10.536 ( -2.832 -2.613 1.420) 4.106 11.116 ( 4.557 7.533 -6.750) 11.094 12.729 ( -2.563 10.171 1.324) 10.573 13.007 ( 6.527 -2.154 -6.742) 9.628 14.171 ( 13.740 -5.896 6.920) 16.475 14.719 ( 5.490 11.894 4.543) 13.865 15.277 ( -1.671 -6.018 16.902) 18.019 16.216 ( -0.488 5.007 2.332) 5.545 16.941 ( -8.934 -11.867 -2.239) 15.022 17.188 ( -5.209 1.448 -6.059) 8.121 18.841 ( 3.479 -4.165 -8.265) 9.888 19.939 ( 0.211 3.472 -1.733) 3.887 20.054 ( -0.535 -1.429 -1.548) 2.173 20.195 ( -3.244 1.491 3.675) 5.124 ======================= Grid point 326 (175/294) ======================= q-point: ( 0.58 0.17 0.17) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( 7.282 -2.085 2.267) 7.907 2.564 ( 1.046 7.501 8.703) 11.538 2.665 ( -1.253 -8.487 -0.064) 8.579 3.002 ( -7.697 -2.113 0.508) 7.998 3.890 ( 0.935 0.686 -3.742) 3.918 4.004 ( -3.903 2.094 -1.745) 4.761 4.368 ( -1.038 2.289 -7.024) 7.460 5.348 ( 5.533 3.911 3.976) 7.856 5.762 ( -6.920 -5.075 1.682) 8.745 6.685 ( 24.720 10.540 1.861) 26.937 8.044 ( -8.038 -5.497 2.183) 9.980 8.502 ( 2.109 -3.615 -4.242) 5.959 8.826 ( -4.555 -0.370 2.833) 5.377 9.640 ( -7.184 1.449 -0.668) 7.359 9.797 ( 3.398 -1.721 1.286) 4.020 9.998 ( -2.729 -3.737 -0.613) 4.668 10.569 ( 2.787 2.468 3.948) 5.426 11.186 ( 1.701 5.754 -9.814) 11.503 12.737 ( -1.518 -0.061 -2.347) 2.796 13.105 ( 5.070 6.828 -2.050) 8.748 14.177 ( -2.452 -9.021 6.268) 11.255 14.946 ( -1.102 6.142 10.370) 12.103 15.369 ( 6.310 -3.217 18.469) 19.780 16.220 ( -1.979 0.227 0.110) 1.995 16.628 ( -8.127 -9.919 -13.002) 18.262 17.228 ( 2.649 8.537 4.194) 9.873 18.822 ( 4.783 -3.226 -11.244) 12.638 19.964 ( -0.117 3.334 -1.434) 3.631 20.027 ( 0.025 -1.458 -1.622) 2.181 20.172 ( -3.068 0.394 3.719) 4.837 ======================= Grid point 327 (176/294) ======================= q-point: (-0.33 0.17 0.17) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.179 ( 4.956 2.311 5.797) 7.969 2.456 ( -10.202 -12.560 2.224) 16.333 2.666 ( -3.506 9.014 2.054) 9.888 2.928 ( 1.941 -2.989 -0.098) 3.565 3.890 ( 2.835 -4.570 -1.350) 5.545 3.998 ( 0.849 3.741 -3.356) 5.097 4.349 ( -0.450 6.093 -8.997) 10.875 5.272 ( -10.615 -7.737 0.683) 13.154 5.806 ( 7.903 3.978 5.117) 10.221 6.941 ( -5.983 -3.033 -2.062) 7.018 7.913 ( 2.315 1.328 3.486) 4.390 8.448 ( 1.498 -8.090 -4.887) 9.569 8.831 ( -2.935 3.942 3.190) 5.860 9.559 ( 0.318 0.488 -0.294) 0.652 9.871 ( -0.353 -0.033 2.740) 2.763 9.974 ( 5.991 0.758 -0.664) 6.075 10.646 ( -0.308 1.846 5.375) 5.691 11.166 ( -1.445 2.270 -11.588) 11.896 12.675 ( -2.010 -2.490 -3.845) 5.003 13.241 ( 3.534 6.713 0.438) 7.599 14.120 ( 0.646 -4.056 5.781) 7.092 14.899 ( -11.750 -1.533 12.914) 17.527 15.447 ( -6.247 -9.313 12.639) 16.897 16.264 ( 8.052 3.562 0.924) 8.853 16.377 ( -6.192 -5.116 -10.567) 13.273 17.449 ( 8.624 10.986 6.582) 15.439 18.801 ( 4.811 -3.122 -14.383) 15.484 19.976 ( -0.659 1.866 -1.221) 2.325 20.014 ( 0.515 -0.286 -1.249) 1.381 20.150 ( -2.363 0.024 3.709) 4.398 ======================= Grid point 328 (177/294) ======================= q-point: (-0.25 0.17 0.17) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.128 ( -14.473 -13.588 6.084) 20.763 2.310 ( -2.084 5.584 7.945) 9.932 2.667 ( -3.251 3.805 -0.936) 5.091 3.003 ( 10.479 -1.961 -2.393) 10.927 3.876 ( 1.887 -4.170 -2.908) 5.423 4.036 ( 0.899 4.260 -5.220) 6.797 4.365 ( 1.344 4.468 -5.662) 7.337 5.025 ( -11.726 -4.758 3.197) 13.053 6.013 ( 8.857 2.586 3.991) 10.053 6.482 ( -29.211 -16.294 -2.127) 33.516 8.148 ( 10.135 8.664 3.300) 13.736 8.346 ( -1.214 -8.286 -4.397) 9.459 8.818 ( -0.592 1.200 1.571) 2.064 9.676 ( 9.595 4.426 -0.356) 10.572 9.846 ( -1.972 -0.658 2.112) 2.963 10.147 ( 9.642 5.061 -0.023) 10.890 10.633 ( -6.078 -0.166 6.189) 8.676 11.054 ( -4.313 -2.136 -11.930) 12.864 12.593 ( -2.835 -1.486 -3.835) 4.995 13.332 ( 1.369 2.555 1.513) 3.269 14.197 ( 4.854 2.028 6.919) 8.692 14.755 ( -8.382 -2.583 4.259) 9.751 15.166 ( -18.269 -15.174 12.886) 27.020 16.200 ( -6.615 -2.023 -4.453) 8.226 16.513 ( 13.060 5.454 2.226) 14.327 17.756 ( 11.079 10.788 7.362) 17.127 18.750 ( 3.891 -3.902 -18.321) 19.132 19.966 ( -0.491 -0.098 -1.505) 1.586 20.020 ( -0.151 1.295 0.117) 1.309 20.140 ( -1.537 0.461 3.590) 3.932 ======================= Grid point 329 (178/294) ======================= q-point: (-0.17 0.17 0.17) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.787 ( -15.801 -15.032 11.594) 24.699 2.264 ( -14.824 -0.142 8.191) 16.937 2.681 ( 4.609 2.110 -2.965) 5.872 3.176 ( 12.661 -0.957 -3.071) 13.063 3.824 ( -1.737 -5.176 -6.127) 8.207 4.004 ( -8.781 8.637 -4.547) 13.129 4.432 ( 6.428 -0.140 1.328) 6.565 4.867 ( -8.206 1.459 4.651) 9.544 5.832 ( -24.757 -17.699 -0.230) 30.433 6.174 ( 4.693 0.949 1.996) 5.188 8.207 ( -3.695 -5.989 -4.695) 8.459 8.292 ( -1.354 1.263 5.090) 5.416 8.943 ( 11.395 5.659 -0.506) 12.733 9.772 ( -0.033 -5.395 1.349) 5.561 9.939 ( 8.599 9.621 -1.840) 13.034 10.324 ( 1.885 5.416 0.494) 5.756 10.560 ( -1.922 -1.003 5.255) 5.685 10.873 ( -5.351 -4.240 -10.182) 12.259 12.517 ( -3.529 0.412 -3.065) 4.692 13.332 ( -3.329 -2.354 1.866) 4.484 14.308 ( -3.472 -2.726 5.654) 7.174 14.594 ( -5.928 -4.062 1.283) 7.300 14.923 ( -3.086 -4.037 11.886) 12.926 16.064 ( -7.275 -0.644 0.246) 7.308 16.761 ( 9.794 3.737 2.636) 10.809 18.072 ( 10.914 9.084 7.028) 15.844 18.647 ( 3.123 -5.362 -22.810) 23.639 19.944 ( -0.619 -0.598 -1.844) 2.035 20.034 ( -0.731 2.062 2.041) 2.993 20.146 ( -1.163 1.096 3.363) 3.724 ======================= Grid point 334 (179/294) ======================= q-point: ( 0.25 0.25 0.17) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( -20.920 22.617 15.978) 34.706 1.458 ( 10.285 29.179 18.626) 36.113 2.542 ( 3.445 9.658 41.573) 42.819 3.040 ( -3.536 -7.989 -0.875) 8.780 3.543 ( 7.228 -8.014 -15.628) 18.992 3.927 ( 0.549 8.179 -13.257) 15.587 5.008 ( -9.138 -5.067 3.915) 11.158 5.131 ( 8.448 -4.287 3.665) 10.158 5.870 ( -0.213 -16.012 -3.018) 16.295 6.032 ( -0.969 -3.185 2.477) 4.150 7.945 ( -3.873 -1.649 -0.055) 4.210 8.139 ( 0.913 6.434 0.701) 6.536 9.464 ( -12.537 4.531 -3.374) 13.751 9.518 ( 14.461 7.449 -1.195) 16.311 9.705 ( 0.604 0.642 -0.305) 0.933 9.866 ( -0.330 9.876 1.053) 9.937 10.910 ( -0.038 -6.415 1.979) 6.713 11.437 ( 0.128 -18.946 -2.100) 19.063 12.405 ( 11.243 1.394 0.128) 11.329 12.628 ( -9.390 17.242 3.683) 19.976 13.270 ( -19.597 12.999 -6.328) 24.353 13.487 ( 17.939 32.247 -9.971) 38.224 15.776 ( -5.146 -11.711 7.195) 14.676 15.964 ( 5.403 3.747 8.909) 11.072 16.973 ( -0.171 2.564 0.960) 2.743 18.164 ( -0.613 -6.828 0.216) 6.858 19.319 ( -5.118 -24.631 2.853) 25.318 19.843 ( 3.381 -0.239 -2.287) 4.089 20.075 ( 1.420 9.142 -0.178) 9.254 20.138 ( 0.116 0.670 -0.451) 0.816 ======================= Grid point 335 (180/294) ======================= q-point: ( 0.33 0.25 0.17) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( -0.029 20.815 12.967) 24.523 1.952 ( 8.210 13.800 22.032) 27.263 2.793 ( -3.693 -7.952 -5.814) 10.520 3.099 ( 15.337 16.095 22.162) 31.392 3.559 ( 5.169 0.471 -3.108) 6.050 3.956 ( 2.352 7.834 -13.773) 16.019 4.747 ( -13.585 -8.151 4.169) 16.382 5.264 ( 7.256 -3.415 0.667) 8.047 5.583 ( -9.329 -17.001 2.851) 19.601 6.047 ( -1.172 5.421 0.492) 5.568 7.897 ( -0.240 0.005 1.546) 1.564 8.249 ( 4.391 3.776 0.458) 5.809 9.336 ( -3.821 0.599 -0.763) 3.942 9.668 ( -5.978 5.489 -3.925) 9.015 9.750 ( 8.499 -1.377 1.868) 8.810 10.092 ( 10.489 12.669 -2.837) 16.691 10.827 ( -2.343 -7.829 1.285) 8.272 11.181 ( -7.442 -15.435 -1.529) 17.203 12.682 ( -1.358 6.606 4.855) 8.310 12.743 ( 22.329 8.128 -0.757) 23.774 13.109 ( -12.960 17.669 -7.026) 23.011 14.078 ( 21.294 31.385 -10.751) 39.421 15.583 ( -7.171 -16.085 7.102) 18.989 16.118 ( 1.883 6.851 8.123) 10.792 17.020 ( 1.904 1.821 2.363) 3.539 17.981 ( -11.053 -12.781 0.124) 16.898 18.988 ( -7.276 -19.325 1.722) 20.721 19.881 ( 2.300 0.227 -1.821) 2.943 20.109 ( -0.439 -1.104 -0.582) 1.323 20.213 ( 2.242 6.840 -0.525) 7.217 ======================= Grid point 336 (181/294) ======================= q-point: ( 0.42 0.25 0.17) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.565 ( 9.516 14.953 8.550) 19.679 2.250 ( 4.321 5.869 20.306) 21.574 2.621 ( -2.672 -7.085 -3.950) 8.541 3.366 ( 2.691 0.097 -11.701) 12.007 3.869 ( 14.522 10.435 21.187) 27.725 3.978 ( 0.665 7.174 -13.708) 15.486 4.517 ( -9.954 -2.308 3.494) 10.799 5.224 ( -7.394 -2.092 1.453) 7.820 5.499 ( 9.965 -2.313 2.287) 10.483 6.061 ( -1.214 -0.450 0.930) 1.594 7.949 ( 3.249 2.033 2.788) 4.740 8.337 ( 3.590 1.643 -0.520) 3.982 9.298 ( -0.597 -6.827 1.039) 6.932 9.586 ( -6.676 8.823 -4.617) 11.989 9.880 ( 6.458 0.069 3.257) 7.233 10.234 ( -1.587 2.669 -3.718) 4.845 10.704 ( -4.285 -9.082 -1.223) 10.116 10.999 ( 0.094 -2.819 -1.187) 3.061 12.708 ( -0.167 -0.529 -0.709) 0.900 13.061 ( -4.615 17.248 -3.813) 18.257 13.293 ( 26.193 11.790 2.759) 28.857 14.579 ( 12.115 23.527 -4.094) 26.778 15.352 ( -5.684 -16.151 7.467) 18.679 16.245 ( 0.023 8.469 5.424) 10.057 17.074 ( 0.643 -0.814 5.021) 5.127 17.597 ( -17.020 -14.932 -2.774) 22.811 18.778 ( -0.793 -12.485 -2.018) 12.672 19.907 ( 1.659 1.026 -1.760) 2.627 20.079 ( -0.862 -1.800 -1.045) 2.253 20.277 ( -0.598 4.183 0.213) 4.231 ======================= Grid point 337 (182/294) ======================= q-point: ( 0.50 0.25 0.17) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.847 ( 5.496 9.215 5.534) 12.073 2.463 ( 4.662 5.570 12.194) 14.193 2.559 ( 2.649 -4.790 1.320) 5.630 3.274 ( -4.965 -1.836 -6.604) 8.464 3.947 ( -2.193 3.733 -10.884) 11.714 4.105 ( 2.770 -5.520 6.930) 9.283 4.432 ( -4.788 3.140 -0.344) 5.737 5.184 ( 0.473 3.036 4.509) 5.456 5.799 ( 16.463 9.978 -1.121) 19.283 6.023 ( 1.038 -2.360 5.657) 6.217 8.042 ( 3.341 1.038 3.309) 4.816 8.412 ( 4.249 2.580 -1.524) 5.200 9.130 ( -9.371 -10.766 0.789) 14.294 9.611 ( 1.093 8.968 -3.694) 9.760 9.966 ( 0.096 -2.487 3.371) 4.190 10.108 ( -7.275 -2.960 -1.862) 8.072 10.543 ( -2.983 -6.519 -0.267) 7.174 11.074 ( 5.540 6.165 -5.116) 9.740 12.673 ( 1.758 -5.389 -4.950) 7.526 13.147 ( -5.372 20.864 0.441) 21.549 13.848 ( 25.438 4.716 5.335) 26.416 14.806 ( -0.999 8.447 2.288) 8.808 15.280 ( 4.112 -5.901 12.970) 14.831 16.320 ( -2.732 6.545 1.991) 7.367 16.974 ( -11.218 -12.662 -2.114) 17.048 17.283 ( -5.737 1.008 0.225) 5.830 18.676 ( 3.003 -9.653 -5.824) 11.667 19.936 ( 1.578 1.539 -1.822) 2.860 20.040 ( -0.766 -2.079 -1.358) 2.598 20.283 ( -2.661 2.532 1.006) 3.809 ======================= Grid point 338 (183/294) ======================= q-point: ( 0.58 0.25 0.17) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.004 ( 2.908 6.804 4.883) 8.866 2.571 ( 3.300 -6.529 1.461) 7.460 2.654 ( 2.839 7.242 8.661) 11.641 3.117 ( -8.248 -2.121 -3.201) 9.098 3.866 ( -1.654 -2.385 -7.166) 7.731 4.084 ( -2.979 1.033 -0.034) 3.153 4.369 ( -2.775 1.600 -4.543) 5.559 5.293 ( 6.777 0.310 2.750) 7.320 5.788 ( -5.051 -9.615 0.453) 10.870 6.460 ( 23.066 21.146 5.357) 31.747 8.079 ( -0.518 -3.961 3.121) 5.069 8.460 ( -1.669 -0.220 -3.942) 4.287 8.903 ( -5.816 -4.136 2.144) 7.452 9.710 ( 4.628 4.491 -1.633) 6.653 9.795 ( -11.383 -6.019 -0.866) 12.905 10.027 ( -3.151 -2.348 1.639) 4.258 10.534 ( 4.519 -0.927 2.914) 5.456 11.171 ( 2.415 7.502 -8.804) 11.816 12.622 ( 3.029 -7.093 -5.557) 9.506 13.269 ( -4.313 19.761 1.866) 20.312 14.116 ( 4.503 -7.811 6.715) 11.242 14.954 ( 10.230 8.918 2.050) 13.725 15.397 ( 1.094 -6.868 25.203) 26.144 16.288 ( -5.874 1.191 -0.551) 6.019 16.617 ( -10.105 -7.649 -14.557) 19.301 17.330 ( -0.063 9.056 6.816) 11.334 18.617 ( 5.325 -8.541 -9.745) 14.010 19.966 ( 1.404 1.739 -1.761) 2.846 20.004 ( -0.264 -2.003 -1.478) 2.504 20.258 ( -3.504 1.588 1.850) 4.269 ======================= Grid point 339 (184/294) ======================= q-point: (-0.33 0.25 0.17) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.166 ( 5.340 6.976 6.607) 10.993 2.503 ( -5.046 -8.004 3.978) 10.264 2.783 ( 0.607 6.725 2.158) 7.089 2.950 ( -7.565 -1.774 -2.118) 8.054 3.791 ( 1.739 -5.827 -4.703) 7.687 4.055 ( -3.637 6.158 -1.885) 7.396 4.340 ( 0.255 3.066 -7.083) 7.723 5.340 ( -3.813 -5.215 1.507) 6.634 5.695 ( 6.459 -6.489 3.242) 9.713 6.970 ( 9.456 16.436 0.848) 18.981 7.960 ( -7.324 -5.858 3.973) 10.186 8.328 ( -1.231 -7.649 -5.700) 9.618 8.921 ( -0.054 5.108 3.322) 6.094 9.572 ( -5.014 -6.642 -0.616) 8.345 9.841 ( 5.751 4.523 -0.029) 7.316 9.966 ( -3.016 0.009 1.423) 3.334 10.638 ( 5.075 -1.183 4.853) 7.121 11.183 ( -2.396 6.728 -11.215) 13.296 12.579 ( 3.172 -6.990 -4.126) 8.715 13.378 ( -4.627 16.011 1.093) 16.702 14.086 ( 1.008 -7.951 7.151) 10.741 15.098 ( -5.916 -1.610 6.999) 9.304 15.476 ( 1.860 -9.751 20.849) 23.091 16.202 ( -0.360 -0.969 -0.795) 1.304 16.397 ( -5.101 2.293 -12.417) 13.618 17.502 ( 3.717 12.930 7.009) 15.170 18.571 ( 6.318 -7.997 -13.866) 17.208 19.973 ( -0.148 -1.477 -0.616) 1.607 19.998 ( 1.455 1.528 -2.367) 3.171 20.227 ( -3.339 1.212 2.880) 4.573 ======================= Grid point 340 (185/294) ======================= q-point: (-0.25 0.25 0.17) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.253 ( -8.133 -10.713 9.274) 16.338 2.427 ( 0.916 10.295 4.724) 11.364 2.797 ( -7.752 3.873 -0.501) 8.680 2.855 ( 2.832 -1.392 -3.458) 4.682 3.764 ( 3.791 -5.118 -4.251) 7.658 4.070 ( -1.286 7.925 -1.741) 8.215 4.343 ( 1.294 2.850 -7.138) 7.794 5.157 ( -9.135 -8.167 5.151) 13.292 5.856 ( 12.805 -2.005 1.601) 13.060 6.849 ( -28.020 -4.095 -2.045) 28.392 8.048 ( 12.885 8.107 3.857) 15.704 8.240 ( 1.627 -7.661 -4.416) 8.991 8.898 ( -6.912 -0.385 1.755) 7.141 9.566 ( 7.099 0.599 0.491) 7.141 9.900 ( -1.880 0.806 2.777) 3.449 10.040 ( 8.062 5.904 -1.026) 10.045 10.691 ( 0.669 -5.091 5.375) 7.433 11.098 ( -7.020 5.698 -11.716) 14.799 12.548 ( 2.053 -5.318 -1.843) 5.991 13.426 ( -4.474 10.486 -0.457) 11.410 14.147 ( 6.565 -1.893 8.552) 10.947 14.902 ( -12.142 -8.215 4.437) 15.317 15.346 ( -13.704 -16.050 12.075) 24.315 16.309 ( -6.447 5.153 -2.295) 8.566 16.342 ( 13.542 3.210 1.732) 14.025 17.758 ( 7.420 13.657 5.933) 16.636 18.507 ( 5.552 -7.861 -18.474) 20.830 19.955 ( -0.092 -1.277 -0.473) 1.365 20.023 ( 1.185 1.649 -1.998) 2.849 20.210 ( -2.541 1.338 4.070) 4.981 ======================= Grid point 341 (186/294) ======================= q-point: (-0.17 0.25 0.17) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.995 ( -15.613 -10.084 11.950) 22.096 2.558 ( -4.717 7.178 5.580) 10.242 2.619 ( -7.179 -5.634 -4.619) 10.228 2.983 ( 10.548 6.160 -1.783) 12.345 3.751 ( 2.148 -3.719 -4.504) 6.224 4.133 ( -0.694 10.083 -3.364) 10.652 4.364 ( 2.980 0.783 -1.370) 3.372 5.006 ( -5.938 -5.091 7.974) 11.170 6.016 ( 4.818 -4.240 0.449) 6.434 6.232 ( -30.623 -7.633 -1.800) 31.611 8.161 ( -0.360 -6.237 -3.741) 7.282 8.334 ( 4.657 6.625 2.990) 8.632 8.836 ( 3.595 0.337 0.783) 3.695 9.708 ( 5.958 -0.437 0.793) 6.026 9.927 ( 1.673 6.165 1.136) 6.488 10.243 ( 10.406 5.805 -1.480) 12.007 10.614 ( -3.968 -10.417 3.799) 11.777 10.952 ( -10.039 6.194 -8.660) 14.633 12.526 ( 0.375 -2.625 0.607) 2.720 13.432 ( -5.111 7.005 -1.135) 8.745 14.297 ( 5.073 -2.549 6.621) 8.722 14.674 ( -8.410 -4.826 -0.018) 9.697 15.006 ( -11.595 -16.979 11.791) 23.702 16.236 ( -9.014 4.460 4.275) 10.928 16.615 ( 13.397 2.749 2.527) 13.908 18.041 ( 8.793 10.513 4.416) 14.399 18.395 ( 3.750 -6.517 -23.091) 24.284 19.940 ( -0.413 -0.715 -0.366) 0.903 20.046 ( 1.132 1.454 -1.414) 2.322 20.215 ( -1.771 1.729 5.128) 5.694 ======================= Grid point 346 (187/294) ======================= q-point: ( 0.25 0.33 0.17) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( 0.142 31.548 10.617) 33.287 1.892 ( -16.723 19.299 18.944) 31.796 2.761 ( -4.586 -4.026 4.661) 7.679 3.137 ( -4.242 12.243 25.535) 28.634 3.295 ( -2.606 -11.712 -13.228) 17.859 3.871 ( 2.441 -1.043 -10.469) 10.801 4.848 ( 16.031 -5.114 2.264) 16.979 5.132 ( -5.536 -12.209 -1.465) 13.485 5.647 ( 3.438 -8.260 4.032) 9.814 6.115 ( -1.095 8.777 1.269) 8.936 7.972 ( -0.133 1.926 0.023) 1.931 8.267 ( -6.358 5.432 0.596) 8.384 9.367 ( 5.985 2.159 -0.678) 6.398 9.652 ( 4.447 4.686 -1.275) 6.585 9.687 ( -8.596 -3.043 -0.789) 9.153 10.057 ( -8.566 9.553 -1.969) 12.981 10.833 ( 1.628 -6.836 1.150) 7.121 11.171 ( 8.601 -16.383 -1.598) 18.573 12.312 ( -0.862 -3.893 0.376) 4.005 13.034 ( -12.353 19.119 2.710) 22.923 13.428 ( 8.827 25.859 -0.730) 27.334 13.820 ( -24.223 20.849 -15.749) 35.630 15.729 ( 3.017 -13.898 7.380) 16.022 15.963 ( 2.472 4.280 8.272) 9.636 17.026 ( -2.000 1.982 2.096) 3.510 18.019 ( 9.096 -9.393 -1.567) 13.169 19.118 ( 4.997 -15.462 0.505) 16.257 19.807 ( -1.424 -1.647 -2.099) 3.024 20.108 ( 0.127 -0.246 -0.023) 0.278 20.161 ( -0.195 3.512 1.320) 3.757 ======================= Grid point 347 (188/294) ======================= q-point: ( 0.33 0.33 0.17) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.753 ( -20.100 26.065 11.697) 34.931 2.119 ( 2.475 18.319 17.076) 25.165 2.711 ( 1.404 -7.361 -4.160) 8.571 3.126 ( 1.420 -1.841 -3.253) 3.998 3.467 ( 10.370 12.008 19.158) 24.874 3.875 ( 4.838 0.434 -10.487) 11.557 4.882 ( -9.843 -11.407 0.372) 15.072 5.046 ( 13.578 -5.905 1.620) 14.895 5.558 ( -4.927 -7.877 0.658) 9.314 6.167 ( -3.619 7.362 1.267) 8.301 7.954 ( -3.204 1.568 2.005) 4.092 8.264 ( -0.820 6.276 -0.062) 6.330 9.392 ( -3.685 -7.676 -1.080) 8.583 9.605 ( 5.752 4.586 -1.233) 7.459 9.777 ( -0.208 5.910 -1.789) 6.178 10.100 ( 2.110 13.090 -0.146) 13.260 10.769 ( -0.471 -10.045 1.586) 10.180 11.062 ( 0.428 -17.583 -2.130) 17.717 12.424 ( 14.668 0.462 0.958) 14.707 12.993 ( -14.049 13.939 3.019) 20.019 13.541 ( -16.527 24.837 -4.859) 30.227 14.010 ( 17.227 35.105 -11.881) 40.869 15.571 ( -5.522 -17.182 6.196) 19.081 16.154 ( 5.804 5.458 8.839) 11.899 17.038 ( -0.108 1.982 2.367) 3.089 17.963 ( -1.956 -13.924 -1.591) 14.150 18.916 ( -5.629 -20.849 2.336) 21.721 19.821 ( 3.361 0.520 -1.997) 3.944 20.099 ( -0.211 -1.553 -0.540) 1.658 20.228 ( 2.228 4.827 0.087) 5.317 ======================= Grid point 348 (189/294) ======================= q-point: ( 0.42 0.33 0.17) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.815 ( -8.510 24.536 9.866) 27.781 2.345 ( 1.945 4.808 12.945) 13.945 2.607 ( -3.701 -4.320 0.963) 5.770 3.186 ( 9.094 -1.205 -11.302) 14.557 3.839 ( 9.861 5.399 6.655) 13.065 3.917 ( 5.201 1.086 -0.593) 5.346 4.647 ( -7.965 -6.756 1.405) 10.539 5.222 ( 8.282 0.437 3.347) 8.944 5.423 ( -2.681 0.651 0.112) 2.761 6.141 ( -6.022 2.475 1.069) 6.598 7.970 ( 0.132 4.032 4.048) 5.715 8.317 ( 1.123 4.021 -1.399) 4.403 9.263 ( -2.363 -7.598 0.520) 7.974 9.728 ( -0.263 3.294 -3.802) 5.037 9.788 ( 2.827 4.216 2.055) 5.476 10.257 ( 1.328 7.595 -3.278) 8.378 10.657 ( -1.989 -11.053 0.917) 11.268 10.915 ( 1.840 -9.406 -1.623) 9.721 12.698 ( 10.416 -3.322 3.820) 11.581 12.941 ( 1.617 11.551 -5.951) 13.094 13.567 ( -11.501 31.841 0.704) 33.862 14.560 ( 16.883 29.460 -6.485) 34.568 15.335 ( -6.816 -17.470 6.399) 19.814 16.320 ( 2.882 5.977 5.423) 8.569 17.084 ( 1.214 0.754 4.610) 4.827 17.677 ( -12.227 -17.905 -2.297) 21.803 18.675 ( -3.152 -15.701 1.185) 16.058 19.867 ( 2.790 0.687 -1.798) 3.390 20.068 ( -0.793 -2.220 -0.858) 2.509 20.298 ( 1.641 3.102 -0.769) 3.593 ======================= Grid point 349 (190/294) ======================= q-point: ( 0.50 0.33 0.17) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.002 ( -2.061 18.617 8.716) 20.659 2.417 ( 2.553 -1.294 -1.967) 3.473 2.601 ( -0.588 2.541 12.956) 13.216 3.218 ( 3.500 -2.528 -8.409) 9.453 3.888 ( 2.849 -0.771 -13.807) 14.119 4.037 ( 3.928 -7.671 11.226) 14.153 4.520 ( -3.724 -2.172 -0.765) 4.379 5.209 ( -3.555 -2.039 0.041) 4.098 5.709 ( 14.797 21.717 3.954) 26.574 6.048 ( -4.394 -3.180 3.843) 6.647 8.049 ( 0.842 2.870 4.645) 5.525 8.372 ( 3.145 4.349 -2.037) 5.741 9.142 ( -4.133 -10.391 1.392) 11.269 9.690 ( -3.443 5.049 -3.781) 7.186 9.924 ( 5.480 1.606 3.414) 6.653 10.192 ( -7.766 -2.461 -3.717) 8.955 10.513 ( -2.746 -9.334 -0.026) 9.729 10.974 ( 8.601 2.482 -3.397) 9.575 12.653 ( -5.436 -1.352 -3.445) 6.576 13.227 ( 15.923 5.988 -1.318) 17.063 13.777 ( -0.025 29.138 4.803) 29.531 14.909 ( -0.996 8.089 -0.735) 8.183 15.211 ( 6.285 -3.126 10.597) 12.711 16.411 ( -0.393 5.528 -0.458) 5.561 17.040 ( -10.589 -11.154 1.771) 15.481 17.360 ( -3.986 -3.517 0.053) 5.316 18.522 ( 0.104 -12.635 -1.462) 12.720 19.905 ( 2.207 1.061 -1.931) 3.118 20.026 ( -0.946 -2.487 -0.953) 2.826 20.326 ( -0.248 1.608 -0.754) 1.793 ======================= Grid point 350 (191/294) ======================= q-point: ( 0.58 0.33 0.17) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.140 ( -3.806 11.857 7.498) 14.536 2.461 ( 5.275 -1.684 -0.104) 5.538 2.719 ( 2.069 5.171 8.689) 10.321 3.163 ( -2.519 -2.416 -5.045) 6.135 3.799 ( -0.861 -6.190 -10.270) 12.022 4.069 ( 3.268 -4.478 3.236) 6.419 4.455 ( -4.078 3.382 -2.338) 5.790 5.178 ( 3.640 -2.917 -0.707) 4.718 5.803 ( -7.275 -7.200 -0.463) 10.246 6.376 ( 19.950 25.223 8.625) 33.296 8.069 ( -0.996 -2.326 2.848) 3.810 8.471 ( 1.643 4.300 -1.276) 4.777 8.958 ( -6.171 -7.622 1.399) 9.906 9.673 ( 0.008 -1.611 -1.934) 2.517 9.932 ( -8.974 0.906 -2.401) 9.333 10.055 ( -1.456 -2.393 2.339) 3.649 10.451 ( 3.603 -4.101 0.944) 5.540 11.120 ( 6.637 5.733 -6.525) 10.931 12.539 ( -2.772 -2.644 -5.330) 6.564 13.466 ( 4.786 10.432 1.551) 11.582 14.050 ( 2.159 8.541 5.505) 10.388 14.900 ( 3.892 4.339 0.807) 5.885 15.434 ( 4.832 -2.936 21.976) 22.692 16.399 ( -4.908 4.257 -4.511) 7.909 16.652 ( -13.711 -10.912 -10.749) 20.557 17.438 ( 2.648 8.335 7.116) 11.275 18.411 ( 2.381 -11.806 -5.085) 13.073 19.939 ( 2.037 1.231 -2.416) 3.391 19.985 ( -0.647 -2.286 -0.513) 2.431 20.318 ( -1.688 0.810 -0.170) 1.880 ======================= Grid point 351 (192/294) ======================= q-point: ( 0.67 0.33 0.17) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.224 ( -0.433 5.605 7.550) 9.413 2.512 ( 0.940 -0.984 3.041) 3.332 2.834 ( 1.068 4.991 3.361) 6.111 3.046 ( -6.344 -0.903 -3.651) 7.375 3.672 ( 0.759 -7.867 -7.368) 10.805 4.103 ( 2.775 0.713 -2.441) 3.764 4.415 ( -6.821 8.715 -1.552) 11.175 5.263 ( 8.913 -2.570 -1.335) 9.372 5.590 ( -5.108 -13.462 2.552) 14.623 6.966 ( 16.491 24.925 4.277) 30.191 8.018 ( -2.959 -5.103 2.778) 6.521 8.339 ( -11.987 -7.794 -3.281) 14.669 8.955 ( 3.918 5.411 2.653) 7.188 9.563 ( -4.616 -10.946 -1.369) 11.958 9.847 ( -1.523 5.916 -2.091) 6.457 10.029 ( -2.571 0.237 3.197) 4.109 10.532 ( 7.330 -2.810 1.910) 8.079 11.205 ( 1.643 6.586 -8.362) 10.771 12.463 ( 0.694 -3.980 -4.394) 5.969 13.612 ( -2.188 13.347 1.944) 13.664 14.044 ( -2.438 -6.828 5.842) 9.311 15.119 ( 6.848 7.616 -1.386) 10.336 15.482 ( -1.492 -15.940 26.424) 30.896 16.252 ( -9.268 -6.621 0.568) 11.404 16.437 ( -2.167 10.092 -15.835) 18.902 17.622 ( 2.389 12.562 7.816) 14.986 18.320 ( 4.673 -11.017 -9.945) 15.560 19.952 ( 0.534 -1.612 -1.470) 2.246 19.975 ( 1.249 1.053 -1.219) 2.038 20.293 ( -2.173 0.513 0.863) 2.393 ======================= Grid point 352 (193/294) ======================= q-point: (-0.25 0.33 0.17) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.281 ( -0.259 -6.452 9.427) 11.427 2.528 ( -1.742 4.516 1.585) 5.094 2.852 ( -3.312 1.761 -1.618) 4.084 2.949 ( -5.014 5.142 -0.231) 7.186 3.620 ( 4.588 -5.044 -5.226) 8.592 4.142 ( 1.770 4.207 -5.071) 6.822 4.379 ( -6.705 8.644 -0.461) 10.949 5.229 ( -6.813 -9.614 3.437) 12.274 5.587 ( 15.111 -6.290 -0.233) 16.369 7.236 ( -14.674 10.069 -0.379) 17.800 7.970 ( 4.696 2.679 4.599) 7.098 8.125 ( -0.223 -7.949 -3.625) 8.739 9.023 ( -5.715 1.475 1.752) 6.157 9.454 ( 4.709 -3.979 -0.684) 6.203 9.903 ( 2.908 1.458 0.654) 3.318 10.041 ( -0.195 5.673 1.978) 6.011 10.604 ( 4.524 -6.028 0.675) 7.566 11.206 ( -3.770 7.244 -7.691) 11.218 12.441 ( 3.306 -4.011 -2.012) 5.573 13.638 ( -8.356 10.426 0.083) 13.361 14.052 ( 6.395 -5.085 8.376) 11.701 15.019 ( -11.009 -11.052 1.083) 15.637 15.462 ( -7.670 -9.180 11.255) 16.425 16.165 ( 7.850 -3.407 1.092) 8.627 16.465 ( -3.372 11.474 -1.521) 12.055 17.829 ( 3.445 12.455 6.536) 14.481 18.243 ( 5.556 -8.134 -15.586) 18.438 19.940 ( 0.425 -1.341 -0.120) 1.412 20.001 ( 1.500 1.351 -2.157) 2.955 20.273 ( -1.743 0.475 2.234) 2.873 ======================= Grid point 353 (194/294) ======================= q-point: (-0.17 0.33 0.17) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.185 ( -8.614 -8.500 11.369) 16.604 2.530 ( 0.322 -1.563 -3.150) 3.531 2.750 ( -7.330 -4.677 -2.799) 9.134 3.019 ( 0.465 16.634 3.294) 16.964 3.645 ( 4.578 -1.872 -3.583) 6.108 4.186 ( 1.905 5.040 -6.145) 8.173 4.369 ( -2.981 6.613 1.492) 7.406 5.059 ( -4.669 -9.935 7.413) 13.246 5.796 ( 14.914 -3.177 -2.541) 15.459 6.767 ( -37.849 -2.427 -0.445) 37.929 8.067 ( 2.572 -5.280 -2.790) 6.502 8.273 ( 13.723 9.515 3.100) 16.984 8.871 ( -8.247 -3.230 1.169) 8.934 9.583 ( 9.635 0.671 -0.092) 9.659 9.960 ( 1.971 1.733 2.008) 3.305 10.157 ( 5.529 7.265 0.051) 9.130 10.549 ( -1.103 -10.748 -2.426) 11.074 11.146 ( -8.019 8.044 -4.098) 12.075 12.468 ( 3.933 -2.354 0.907) 4.672 13.597 ( -6.617 8.154 -0.509) 10.513 14.189 ( 8.129 -5.221 7.946) 12.509 14.751 ( -8.001 -7.855 -1.092) 11.265 15.151 ( -18.752 -14.006 7.019) 24.435 16.357 ( 9.876 0.012 0.827) 9.910 16.509 ( -1.794 7.171 8.017) 10.905 17.986 ( 4.747 -3.470 -2.015) 6.216 18.213 ( 4.723 8.253 -14.330) 17.198 19.937 ( 0.170 -0.585 0.430) 0.745 20.024 ( 1.502 1.191 -2.240) 2.948 20.272 ( -0.852 0.359 3.546) 3.665 ======================= Grid point 358 (195/294) ======================= q-point: ( 0.25 0.42 0.17) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.960 ( 1.172 25.941 5.522) 26.548 2.275 ( -1.362 8.438 19.901) 21.659 2.739 ( 0.794 -0.323 -0.861) 1.215 3.173 ( -7.552 -6.856 -13.440) 16.872 3.736 ( 0.088 -6.619 -10.023) 12.012 3.755 ( -25.280 12.344 24.592) 37.365 4.538 ( 16.178 -5.996 1.609) 17.328 4.970 ( 2.956 -15.915 -2.385) 16.362 5.740 ( -7.405 10.081 3.069) 12.879 6.185 ( 2.663 6.043 1.356) 6.742 8.013 ( -1.448 4.045 0.652) 4.345 8.392 ( -3.227 4.072 -0.102) 5.196 9.321 ( 0.337 -6.184 -1.214) 6.311 9.561 ( 8.471 7.215 2.066) 11.317 9.830 ( -9.777 -0.742 -1.024) 9.859 10.160 ( 1.131 -1.447 -2.102) 2.792 10.781 ( 2.430 -2.321 -1.014) 3.510 10.902 ( 2.857 -10.108 -2.502) 10.798 12.345 ( -8.596 -7.455 1.359) 11.459 13.218 ( 7.609 18.108 -5.217) 20.322 13.774 ( -13.996 29.095 6.931) 33.022 14.257 ( -19.130 8.886 -8.064) 22.582 15.543 ( 8.622 -10.053 7.332) 15.138 16.050 ( -3.050 2.417 6.983) 7.994 17.077 ( -1.070 -0.430 3.740) 3.913 17.681 ( 17.900 -10.084 -5.653) 21.309 18.933 ( 3.501 -6.937 -3.134) 8.378 19.820 ( -3.502 -2.516 -1.643) 4.614 20.091 ( 0.692 -0.937 -0.881) 1.461 20.197 ( -0.002 0.830 2.897) 3.013 ======================= Grid point 359 (196/294) ======================= q-point: ( 0.33 0.42 0.17) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.218 ( -1.848 17.086 10.680) 20.234 2.483 ( -5.832 21.070 14.230) 26.086 2.604 ( -7.107 -6.834 -5.018) 11.063 2.985 ( 1.784 -4.652 -12.412) 13.374 3.678 ( 2.269 -0.543 -6.774) 7.164 3.741 ( -4.342 6.408 21.866) 23.196 4.763 ( 15.187 -4.232 2.482) 15.960 4.822 ( 0.117 -15.021 -2.305) 15.197 5.686 ( -9.973 7.169 0.347) 12.287 6.275 ( -0.463 6.056 1.385) 6.229 8.026 ( -1.883 3.080 1.552) 3.930 8.368 ( -4.027 5.344 -0.975) 6.762 9.290 ( 2.859 -9.232 0.583) 9.682 9.666 ( -7.046 2.986 -3.158) 8.279 9.766 ( 6.451 5.370 1.498) 8.526 10.184 ( 1.760 4.849 -0.625) 5.196 10.722 ( -3.689 -4.133 0.114) 5.541 10.850 ( 4.669 -14.711 -2.161) 15.585 12.277 ( 4.259 -0.664 0.955) 4.415 13.348 ( -10.602 10.366 1.185) 14.875 13.970 ( -1.827 29.916 2.753) 30.098 14.112 ( -6.537 26.888 -12.120) 30.209 15.496 ( -1.198 -16.573 5.000) 17.353 16.166 ( 4.574 6.230 8.561) 11.534 17.073 ( -0.817 -0.101 2.764) 2.884 17.759 ( 8.328 -14.210 -4.924) 17.191 18.814 ( -2.918 -16.340 -0.107) 16.599 19.781 ( 0.903 0.630 -1.164) 1.602 20.081 ( 0.099 -1.684 -0.806) 1.870 20.237 ( 1.281 2.403 1.454) 3.087 ======================= Grid point 360 (197/294) ======================= q-point: ( 0.42 0.42 0.17) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.278 ( -16.089 14.865 2.834) 22.087 2.411 ( -0.876 1.937 4.428) 4.912 2.692 ( -2.211 6.101 12.078) 13.710 2.968 ( 7.752 -0.575 -11.120) 13.568 3.690 ( 7.091 -3.055 -11.482) 13.837 3.892 ( 2.985 -1.204 17.040) 17.342 4.631 ( -2.510 -13.490 -1.963) 13.861 5.069 ( 15.947 6.000 6.542) 18.251 5.586 ( -9.964 10.396 -1.453) 14.473 6.273 ( -5.859 2.446 0.872) 6.409 8.045 ( -1.107 4.524 3.546) 5.854 8.361 ( -2.103 5.001 -2.115) 5.823 9.207 ( -0.617 -11.521 1.091) 11.589 9.665 ( 2.932 3.919 -2.622) 5.553 9.855 ( 0.119 2.283 1.279) 2.619 10.289 ( 2.816 5.996 -2.202) 6.980 10.609 ( -3.996 -7.074 1.116) 8.201 10.769 ( 3.154 -9.588 -1.716) 10.239 12.454 ( 14.587 1.166 1.832) 14.748 13.173 ( -15.807 7.445 -4.413) 18.021 14.082 ( -13.194 30.191 4.191) 33.214 14.521 ( 17.372 30.651 -7.757) 36.075 15.309 ( -5.360 -15.862 4.757) 17.406 16.338 ( 4.171 4.478 5.896) 8.498 17.098 ( 1.400 1.099 3.849) 4.241 17.611 ( -3.695 -18.820 -5.749) 20.023 18.595 ( -4.035 -16.222 2.190) 16.859 19.821 ( 2.776 1.386 -1.143) 3.307 20.053 ( -0.559 -2.310 -0.841) 2.521 20.288 ( 1.754 1.851 -0.027) 2.550 ======================= Grid point 361 (198/294) ======================= q-point: ( 0.50 0.42 0.17) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.227 ( -2.053 7.267 0.193) 7.554 2.452 ( -5.182 8.783 3.439) 10.762 2.730 ( -3.934 2.934 12.222) 13.171 3.058 ( 7.818 -0.822 -6.540) 10.227 3.709 ( 6.598 -3.203 -13.034) 14.956 3.958 ( 2.901 -9.964 11.085) 15.185 4.481 ( -0.413 -10.219 -2.048) 10.431 5.281 ( -2.428 2.643 0.370) 3.608 5.742 ( 10.632 25.476 4.680) 27.999 6.150 ( -8.956 -2.128 1.766) 9.374 8.111 ( -0.485 4.619 4.900) 6.751 8.370 ( 0.683 4.100 -2.894) 5.065 9.094 ( -1.367 -10.884 1.551) 11.078 9.709 ( 0.664 -1.474 -2.323) 2.830 9.906 ( 2.903 4.657 2.235) 5.925 10.263 ( -5.213 -2.359 -4.659) 7.379 10.477 ( -4.162 -7.834 1.335) 8.971 10.829 ( 9.036 2.095 -2.025) 9.494 12.673 ( 5.069 -3.180 2.495) 6.483 13.061 ( 2.350 9.943 -7.722) 12.807 14.200 ( -10.181 28.549 5.603) 30.823 14.963 ( 4.639 12.345 -5.105) 14.141 15.160 ( 3.479 -1.984 10.370) 11.117 16.433 ( 1.554 3.008 -1.240) 3.606 17.124 ( -8.230 -7.658 4.768) 12.212 17.321 ( 0.265 -8.654 -5.723) 10.379 18.422 ( -2.162 -13.613 2.712) 14.048 19.869 ( 2.310 1.430 -1.403) 3.057 20.013 ( -0.925 -2.564 -0.661) 2.805 20.322 ( 1.139 0.693 -0.966) 1.646 ======================= Grid point 362 (199/294) ======================= q-point: ( 0.58 0.42 0.17) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.321 ( 3.587 4.554 3.230) 6.636 2.443 ( -6.200 7.589 1.563) 9.924 2.789 ( 0.023 4.185 8.060) 9.081 3.104 ( 3.291 -2.694 -3.777) 5.688 3.671 ( 1.727 -6.528 -10.309) 12.324 3.971 ( 3.986 -7.306 5.407) 9.924 4.431 ( 4.907 -4.168 -2.003) 6.743 5.210 ( -6.934 4.310 -1.783) 8.357 5.875 ( -9.866 -7.069 -1.215) 12.198 6.361 ( 17.611 26.537 8.781) 33.037 8.111 ( -4.026 -0.913 2.379) 4.765 8.464 ( 4.658 5.441 -0.044) 7.163 8.965 ( -3.412 -8.932 1.127) 9.628 9.647 ( -2.000 -5.643 -1.703) 6.224 10.030 ( 3.432 4.035 3.318) 6.251 10.095 ( -8.660 -1.097 -4.781) 9.952 10.370 ( -0.235 -6.308 0.676) 6.348 11.005 ( 9.177 4.914 -3.939) 11.130 12.583 ( -7.006 -2.441 -3.014) 8.008 13.319 ( 16.778 6.140 -1.977) 17.975 14.293 ( -9.748 14.529 4.288) 18.014 14.927 ( -1.640 5.709 -0.077) 5.941 15.441 ( 7.076 1.428 18.490) 19.849 16.445 ( -0.123 6.423 -11.254) 12.959 16.732 ( -16.058 -15.947 -4.863) 23.148 17.453 ( 8.426 7.523 3.402) 11.797 18.282 ( -1.828 -12.829 2.091) 13.126 19.905 ( 1.696 1.246 -2.181) 3.031 19.974 ( -0.658 -2.153 0.110) 2.254 20.328 ( 0.113 -0.147 -1.170) 1.185 ======================= Grid point 363 (200/294) ======================= q-point: ( 0.67 0.42 0.17) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.351 ( -5.839 0.639 6.127) 8.488 2.497 ( 4.193 4.873 0.782) 6.476 2.885 ( 1.237 5.189 4.676) 7.094 3.077 ( -1.185 -1.802 -3.458) 4.076 3.547 ( -0.482 -8.731 -7.473) 11.503 4.013 ( 4.614 -2.668 0.674) 5.372 4.538 ( 6.294 6.503 -0.802) 9.085 5.152 ( -2.426 3.295 -2.037) 4.571 5.601 ( -10.017 -14.356 0.776) 17.523 6.950 ( 18.096 25.666 5.506) 31.883 8.031 ( -3.297 -3.390 0.633) 4.771 8.458 ( -9.405 -6.461 1.048) 11.459 8.933 ( 4.852 3.767 0.631) 6.175 9.520 ( -3.738 -10.092 -1.208) 10.830 9.946 ( -6.307 1.737 -3.317) 7.335 10.092 ( -1.717 2.806 3.967) 5.153 10.388 ( 6.899 -3.436 -0.225) 7.711 11.155 ( 6.250 5.183 -5.024) 9.548 12.443 ( -4.342 -2.511 -3.685) 6.224 13.607 ( 12.262 4.675 0.701) 13.141 14.177 ( -12.457 -0.367 2.665) 12.744 15.089 ( 5.966 13.749 -2.758) 15.239 15.510 ( -3.081 -15.752 24.374) 29.184 16.342 ( -12.393 -12.986 -2.346) 18.103 16.477 ( 1.485 15.615 -15.500) 22.052 17.702 ( 7.708 12.274 3.688) 14.956 18.140 ( -1.360 -12.843 -0.304) 12.918 19.917 ( 0.868 -0.631 -2.167) 2.418 19.965 ( 0.542 0.192 0.293) 0.645 20.314 ( -0.565 -0.561 -0.685) 1.050 ======================= Grid point 364 (201/294) ======================= q-point: (-0.25 0.42 0.17) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.284 ( -2.702 -5.886 5.295) 8.365 2.589 ( -0.342 3.854 1.775) 4.257 2.920 ( -3.299 -0.555 -0.089) 3.347 3.050 ( -0.857 6.801 0.194) 6.857 3.464 ( 4.377 -5.907 -5.702) 9.304 4.072 ( 4.229 0.512 -1.974) 4.695 4.659 ( -6.934 15.703 1.173) 17.206 5.190 ( 5.506 -2.808 -3.511) 7.108 5.337 ( -1.272 -15.982 2.946) 16.301 7.438 ( 8.753 20.583 2.194) 22.474 7.974 ( -0.066 -1.611 0.262) 1.633 8.133 ( -15.378 -11.495 0.586) 19.209 9.098 ( 3.427 6.490 1.410) 7.474 9.348 ( -1.731 -9.812 -1.715) 10.110 9.895 ( -0.632 1.218 -0.984) 1.688 10.117 ( -1.067 4.147 4.144) 5.959 10.463 ( 5.956 -4.195 -2.053) 7.570 11.247 ( 2.070 5.663 -4.257) 7.381 12.368 ( 0.201 -2.301 -2.261) 3.232 13.799 ( 3.450 4.988 0.996) 6.146 14.004 ( -5.743 -3.474 4.644) 8.162 15.062 ( -8.455 -11.589 -3.461) 14.757 15.554 ( 0.916 3.044 12.944) 13.328 16.059 ( -4.077 -12.251 -0.785) 12.935 16.594 ( 0.920 13.810 -3.915) 14.383 17.943 ( 0.085 7.728 10.043) 12.672 18.011 ( 5.548 -4.913 -12.433) 14.474 19.913 ( 1.015 -1.121 -0.729) 1.679 19.985 ( 0.917 1.279 -0.781) 1.757 20.297 ( -0.550 -0.796 0.360) 1.032 ======================= Grid point 365 (202/294) ======================= q-point: (-0.17 0.42 0.17) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.219 ( -0.845 -8.231 5.193) 9.768 2.553 ( -5.699 -0.611 0.801) 5.787 2.819 ( -6.250 -2.215 -2.022) 6.933 3.148 ( 1.553 8.953 1.907) 9.285 3.521 ( 8.242 0.954 -3.503) 9.006 4.133 ( 3.065 2.602 -3.238) 5.162 4.610 ( -13.364 9.984 1.759) 16.774 5.070 ( -4.160 -9.533 5.294) 11.671 5.466 ( 18.518 -3.895 -4.280) 19.401 7.351 ( -32.117 3.641 0.158) 32.323 7.951 ( 3.913 -6.739 -1.725) 7.982 8.136 ( 13.837 7.628 2.909) 16.066 9.017 ( -11.344 -2.832 1.404) 11.776 9.410 ( 11.344 -0.135 -1.266) 11.415 9.920 ( 2.999 -0.314 0.268) 3.027 10.187 ( 1.276 5.201 3.799) 6.566 10.448 ( 0.403 -6.364 -5.196) 8.226 11.284 ( -2.305 6.451 -1.776) 7.077 12.385 ( 4.248 -0.773 -0.033) 4.318 13.778 ( -7.571 4.083 0.924) 8.651 14.046 ( 7.414 -5.317 6.436) 11.165 14.772 ( -7.800 -11.575 -3.540) 14.400 15.420 ( -19.985 -4.461 4.427) 20.950 16.118 ( 15.279 -2.124 0.550) 15.435 16.684 ( -2.895 6.773 5.907) 9.443 17.839 ( -0.556 -12.222 -4.768) 13.131 18.209 ( 5.906 17.204 -5.115) 18.895 19.922 ( 1.250 -0.594 0.217) 1.401 20.006 ( 0.842 1.420 -1.364) 2.141 20.288 ( 0.016 -1.229 1.612) 2.027 ======================= Grid point 370 (203/294) ======================= q-point: ( 0.25 0.50 0.17) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.126 ( 4.928 17.202 0.715) 17.908 2.408 ( -0.961 0.428 12.849) 12.892 2.774 ( 0.191 7.210 2.598) 7.666 3.161 ( 0.167 -4.604 -2.064) 5.048 3.647 ( -8.112 -7.905 -10.655) 15.551 4.218 ( 4.731 -8.581 1.782) 9.959 4.331 ( -3.185 7.561 6.583) 10.519 4.877 ( -11.172 -7.397 3.158) 13.766 5.982 ( -3.694 6.068 -1.784) 7.325 6.207 ( -0.961 13.025 4.133) 13.698 8.089 ( -2.331 3.112 1.169) 4.061 8.468 ( -2.153 4.538 -1.047) 5.131 9.144 ( 9.613 -10.500 -0.396) 14.242 9.583 ( 0.440 6.079 1.580) 6.296 9.960 ( -3.492 -1.784 1.590) 4.232 10.034 ( 3.449 -4.284 -1.725) 5.764 10.605 ( 7.422 -5.809 0.139) 9.426 10.943 ( -8.194 1.658 -6.775) 10.761 12.448 ( -12.002 -9.418 2.515) 15.462 13.202 ( 9.940 18.326 -6.900) 21.960 14.313 ( -9.739 23.179 9.590) 26.909 14.498 ( -12.406 -1.988 0.240) 12.566 15.414 ( 3.060 -4.499 9.947) 11.338 16.163 ( -3.509 2.003 5.173) 6.564 17.095 ( 0.164 -2.219 5.867) 6.274 17.227 ( 20.330 -7.381 -12.325) 24.894 18.832 ( 0.440 -2.963 -6.559) 7.211 19.849 ( -3.832 -2.410 -1.196) 4.682 20.064 ( 0.889 -0.631 -1.424) 1.794 20.208 ( 0.892 -0.320 3.298) 3.431 ======================= Grid point 371 (204/294) ======================= q-point: ( 0.33 0.50 0.17) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.373 ( 4.719 12.734 4.622) 14.345 2.473 ( 2.987 -1.070 1.888) 3.692 2.859 ( 0.085 4.065 5.128) 6.544 3.032 ( -14.925 8.062 -3.851) 17.395 3.465 ( 3.969 -10.138 -8.135) 13.590 4.095 ( -11.555 -2.506 11.182) 16.274 4.536 ( 12.656 2.737 3.987) 13.549 4.687 ( -3.010 -8.024 0.221) 8.573 5.934 ( -8.149 7.116 -2.202) 11.041 6.337 ( -0.006 10.285 2.418) 10.566 8.091 ( -1.424 2.557 1.026) 3.101 8.463 ( -3.115 4.925 -1.611) 6.046 9.148 ( 4.194 -10.956 0.412) 11.739 9.712 ( 5.972 3.057 1.721) 6.927 9.816 ( -9.525 1.244 -1.380) 9.704 10.101 ( 7.282 -2.214 1.207) 7.706 10.632 ( 5.432 -10.879 -2.042) 12.330 10.821 ( -7.148 4.528 -2.865) 8.934 12.268 ( -3.678 -2.973 2.119) 5.183 13.490 ( 5.161 14.217 -3.114) 15.442 14.279 ( -10.675 16.734 -4.716) 20.402 14.465 ( -7.107 17.893 7.309) 20.593 15.403 ( -1.193 -9.497 6.124) 11.363 16.218 ( 1.529 5.411 6.496) 8.592 17.076 ( 0.377 -3.573 0.623) 3.646 17.407 ( 15.029 -9.625 -6.522) 19.001 18.717 ( -2.639 -11.444 -3.555) 12.270 19.787 ( -1.450 0.117 -0.195) 1.468 20.056 ( 0.338 -1.429 -1.227) 1.913 20.245 ( 1.071 1.064 2.202) 2.670 ======================= Grid point 372 (205/294) ======================= q-point: ( 0.42 0.50 0.17) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.415 ( -4.554 -3.824 -4.524) 7.472 2.572 ( 0.598 9.324 5.773) 10.983 2.842 ( 0.025 2.534 -9.670) 9.996 2.951 ( -9.488 9.310 12.828) 18.473 3.459 ( 8.592 -6.323 -7.560) 13.075 3.978 ( -6.375 -5.284 12.119) 14.677 4.499 ( -0.346 -13.410 -3.711) 13.918 4.926 ( 15.740 11.303 7.927) 20.937 5.850 ( -8.848 9.786 -2.924) 13.513 6.394 ( -4.880 7.227 1.084) 8.788 8.111 ( 0.022 3.324 1.944) 3.851 8.438 ( -3.702 3.520 -2.391) 5.641 9.091 ( 1.602 -11.658 1.107) 11.819 9.701 ( -3.935 4.368 -3.374) 6.779 9.821 ( 4.515 -3.484 2.715) 6.317 10.224 ( 6.202 0.121 1.185) 6.315 10.576 ( 2.538 -9.499 -1.747) 9.987 10.746 ( -6.521 4.922 -0.840) 8.214 12.304 ( 6.906 1.725 1.829) 7.350 13.461 ( -14.310 3.982 -3.164) 15.187 14.488 ( 13.198 24.417 -7.982) 28.880 14.554 ( -8.815 20.955 6.992) 23.785 15.297 ( -5.287 -7.213 6.046) 10.795 16.344 ( 3.512 3.093 5.268) 7.046 17.073 ( 3.635 -1.606 -2.335) 4.609 17.417 ( 2.607 -13.444 -4.736) 14.490 18.522 ( -3.832 -14.742 0.430) 15.238 19.799 ( 1.308 1.818 0.173) 2.246 20.034 ( -0.272 -2.032 -1.003) 2.283 20.282 ( 1.015 1.006 0.887) 1.682 ======================= Grid point 373 (206/294) ======================= q-point: ( 0.50 0.50 0.17) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.274 ( -4.225 1.237 -6.223) 7.623 2.651 ( -3.894 7.302 4.977) 9.657 2.865 ( 2.061 1.535 -2.342) 3.477 2.959 ( -2.018 1.111 7.509) 7.854 3.509 ( 6.827 -1.886 -7.537) 10.343 3.913 ( -1.738 -8.144 10.449) 13.362 4.353 ( 0.254 -12.256 -3.591) 12.774 5.283 ( 8.678 6.771 4.310) 11.821 5.877 ( 1.359 16.010 -0.792) 16.087 6.326 ( -10.635 6.331 1.254) 12.440 8.183 ( 1.306 5.110 3.757) 6.476 8.382 ( -2.143 -0.605 -3.503) 4.151 9.010 ( 0.154 -9.541 1.105) 9.606 9.686 ( -0.977 0.655 -2.009) 2.328 9.873 ( 5.123 -1.879 1.585) 5.682 10.235 ( -0.591 -6.720 -1.842) 6.993 10.533 ( -3.736 -2.884 2.882) 5.530 10.743 ( 2.824 7.041 -2.782) 8.080 12.506 ( 12.364 1.454 2.683) 12.736 13.217 ( -13.834 4.503 -6.583) 15.968 14.596 ( -7.600 12.047 3.701) 14.717 14.932 ( 12.570 20.285 -7.240) 24.938 15.219 ( -4.085 3.254 12.361) 13.418 16.416 ( 1.718 -0.137 -0.041) 1.724 17.126 ( 5.435 -9.928 -14.799) 18.631 17.220 ( -6.523 -3.897 6.938) 10.289 18.354 ( -2.135 -13.261 4.291) 14.100 19.847 ( 1.854 2.053 -0.013) 2.767 20.000 ( -0.754 -2.296 -0.574) 2.484 20.304 ( 0.844 0.245 -0.408) 0.969 ======================= Grid point 374 (207/294) ======================= q-point: ( 0.58 0.50 0.17) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.278 ( 3.928 4.987 -2.786) 6.933 2.636 ( -6.613 3.479 1.079) 7.549 2.888 ( -1.986 3.130 4.994) 6.219 2.989 ( 4.583 -4.271 -0.132) 6.266 3.537 ( 2.686 -3.242 -4.897) 6.458 3.896 ( 1.466 -4.635 7.134) 8.633 4.267 ( 4.648 -8.611 -2.978) 10.228 5.359 ( -3.948 5.266 -0.090) 6.582 5.956 ( -7.242 -5.170 -2.726) 9.306 6.426 ( 8.426 25.651 6.423) 27.753 8.191 ( -5.354 -1.795 1.036) 5.741 8.410 ( 6.665 2.082 0.232) 6.986 8.927 ( -1.343 -6.678 0.347) 6.820 9.624 ( -2.874 -5.097 -1.260) 5.986 9.985 ( 6.642 1.749 0.730) 6.907 10.130 ( -1.645 -5.755 -2.393) 6.446 10.420 ( -8.674 -0.560 2.399) 9.017 10.896 ( 8.006 6.337 -2.601) 10.537 12.628 ( -0.995 -4.089 1.554) 4.486 13.157 ( 6.314 8.693 -5.802) 12.211 14.538 ( -8.185 0.342 -0.256) 8.196 15.076 ( -4.011 15.930 -2.851) 16.673 15.448 ( 7.130 4.208 19.439) 21.129 16.420 ( 1.359 4.760 -11.339) 12.372 16.776 ( -11.945 -18.346 -8.089) 23.339 17.376 ( 9.441 8.655 0.497) 12.818 18.237 ( -2.533 -11.682 7.911) 14.334 19.888 ( 1.033 1.732 -0.867) 2.195 19.967 ( -0.580 -1.928 0.373) 2.048 20.309 ( 0.581 -0.591 -1.328) 1.565 ======================= Grid point 375 (208/294) ======================= q-point: ( 0.67 0.50 0.17) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.418 ( 4.601 4.350 1.614) 6.534 2.525 ( -6.070 0.363 -1.799) 6.341 2.926 ( 1.279 0.134 3.166) 3.417 3.026 ( 3.448 -0.128 -0.979) 3.586 3.462 ( -2.721 -7.185 -2.676) 8.136 3.949 ( 2.999 0.307 4.351) 5.293 4.347 ( 13.688 -2.149 -2.488) 14.078 5.326 ( -6.650 7.019 0.254) 9.672 5.667 ( -14.490 -10.674 -2.183) 18.129 6.921 ( 16.817 22.551 4.925) 28.558 8.064 ( -4.919 -4.805 -1.184) 6.978 8.500 ( -0.327 -4.093 3.620) 5.474 8.888 ( 2.773 1.392 -1.627) 3.503 9.497 ( -4.469 -7.276 -0.706) 8.568 10.000 ( -2.796 -2.450 -2.018) 4.230 10.160 ( 4.706 3.692 0.119) 5.982 10.304 ( -4.579 -1.327 2.161) 5.235 11.065 ( 7.696 5.015 -2.385) 9.491 12.496 ( -7.003 -4.177 -1.236) 8.248 13.416 ( 15.143 6.635 -2.094) 16.665 14.358 ( -10.366 -3.629 -1.252) 11.054 15.154 ( -1.165 10.031 -5.020) 11.278 15.577 ( -2.863 -7.817 24.174) 25.568 16.362 ( -8.601 -9.332 -13.543) 18.560 16.503 ( 1.989 8.721 -8.156) 12.105 17.635 ( 11.598 10.969 -4.577) 16.607 18.131 ( -4.843 -9.976 12.354) 16.601 19.896 ( -0.060 -0.090 -1.382) 1.386 19.962 ( 0.492 0.191 0.948) 1.085 20.299 ( 0.348 -1.206 -1.580) 2.018 ======================= Grid point 376 (209/294) ======================= q-point: (-0.25 -0.50 0.17) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.319 ( -6.831 -6.182 -0.480) 9.225 2.622 ( 4.510 6.386 2.054) 8.084 2.924 ( -0.472 -4.160 -1.526) 4.456 3.116 ( 2.597 7.912 2.313) 8.642 3.329 ( -0.899 -8.098 -3.278) 8.782 4.033 ( 2.785 3.176 2.982) 5.170 4.616 ( 19.352 2.283 -2.453) 19.640 5.274 ( -4.655 -9.720 1.844) 10.934 5.307 ( -17.707 3.688 -1.963) 18.193 7.396 ( 17.022 13.811 2.932) 22.116 7.957 ( -1.945 -2.452 -2.611) 4.076 8.324 ( -14.894 -7.575 3.151) 17.004 9.028 ( 9.863 4.116 -1.777) 10.834 9.342 ( -6.675 -6.282 0.430) 9.176 9.923 ( -2.875 -0.638 -1.867) 3.487 10.207 ( -2.878 3.662 3.858) 6.048 10.323 ( 6.080 -1.744 -1.734) 6.559 11.209 ( 5.944 4.313 -1.269) 7.453 12.364 ( -3.577 -2.833 -1.135) 4.702 13.683 ( 11.862 3.532 -0.519) 12.387 14.153 ( -10.238 -2.475 0.346) 10.539 15.049 ( -6.922 -11.619 -6.264) 14.905 15.648 ( 2.033 6.663 13.247) 14.967 16.045 ( -10.079 -14.420 -2.971) 17.842 16.638 ( 4.669 12.086 -7.560) 15.001 17.840 ( 6.244 2.688 -10.630) 12.618 18.078 ( -2.294 1.942 15.497) 15.786 19.887 ( 0.466 -0.723 -0.659) 1.083 19.984 ( 0.641 1.286 0.399) 1.491 20.283 ( 0.360 -1.680 -1.081) 2.030 ======================= Grid point 377 (210/294) ======================= q-point: (-0.17 0.50 0.17) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.176 ( -2.180 -6.616 -0.885) 7.022 2.694 ( -6.266 3.754 4.606) 8.636 2.835 ( -1.245 -5.028 -2.436) 5.724 3.191 ( -1.440 0.142 0.998) 1.758 3.358 ( 10.935 3.845 -3.017) 11.977 4.130 ( 2.082 5.854 1.921) 6.503 4.838 ( -4.943 -9.876 0.415) 11.051 5.034 ( 11.065 -2.476 -2.856) 11.693 5.249 ( -6.913 8.122 1.296) 10.744 7.712 ( 12.318 -2.954 1.831) 12.799 7.871 ( -19.326 0.895 -3.863) 19.729 8.063 ( 0.026 2.468 2.420) 3.456 9.153 ( -3.235 -8.644 -0.428) 9.239 9.235 ( 5.018 6.431 0.335) 8.164 9.886 ( 0.133 -0.951 -0.563) 1.113 10.227 ( -0.550 0.894 3.110) 3.282 10.372 ( 2.586 0.114 -3.133) 4.064 11.322 ( 3.120 4.204 0.388) 5.249 12.329 ( 1.729 -0.370 -0.060) 1.769 13.837 ( 4.489 -0.930 -0.144) 4.586 14.010 ( -5.352 -1.029 3.335) 6.390 14.759 ( -7.695 -12.093 -5.820) 15.470 15.715 ( -16.030 -7.430 0.914) 17.692 15.873 ( 11.785 2.950 2.963) 12.505 16.754 ( 2.522 4.019 -0.966) 4.842 17.767 ( -4.253 -7.420 -0.626) 8.575 18.260 ( 4.958 14.986 0.508) 15.793 19.894 ( 1.400 -0.406 -0.076) 1.460 20.007 ( 0.404 1.567 0.071) 1.620 20.270 ( 0.661 -2.300 -0.045) 2.394 ======================= Grid point 383 (211/294) ======================= q-point: ( 0.25 0.58 0.17) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.185 ( 4.306 13.034 0.729) 13.747 2.480 ( -3.363 -4.099 7.164) 8.912 2.828 ( 5.093 5.209 2.428) 7.679 3.048 ( 5.137 -4.434 1.060) 6.869 3.726 ( -11.619 -3.228 -6.989) 13.938 4.037 ( 6.261 -1.435 -0.081) 6.424 4.325 ( 3.664 -3.364 -4.467) 6.685 5.187 ( -18.845 1.279 6.481) 19.970 5.856 ( 9.821 -7.996 -0.649) 12.682 6.592 ( -15.027 23.714 1.717) 28.127 8.111 ( 2.635 -3.178 1.332) 4.338 8.537 ( -0.775 6.027 -2.034) 6.408 8.888 ( 8.934 -7.471 1.254) 11.713 9.598 ( 1.029 -3.580 0.139) 3.727 9.870 ( 4.188 -0.444 3.136) 5.251 10.051 ( 0.765 1.007 -0.944) 1.578 10.522 ( -2.341 -3.338 1.505) 4.346 11.040 ( -5.889 3.123 -8.855) 11.084 12.561 ( -10.582 -10.160 2.283) 14.846 13.188 ( 6.966 16.972 -5.954) 19.288 14.375 ( 8.952 -1.888 6.713) 11.348 14.829 ( -13.345 4.271 6.714) 15.538 15.480 ( -3.368 0.617 17.141) 17.480 16.232 ( 0.066 -0.002 3.624) 3.625 16.784 ( 17.629 -1.513 -17.318) 24.758 17.136 ( -3.991 -0.503 6.652) 7.774 18.777 ( -1.393 -1.175 -9.931) 10.097 19.883 ( -3.526 -2.162 -0.720) 4.198 20.037 ( 0.746 -0.070 -1.785) 1.936 20.201 ( 1.685 -0.454 3.225) 3.667 ======================= Grid point 384 (212/294) ======================= q-point: ( 0.33 0.58 0.17) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.397 ( 6.049 10.936 1.153) 12.550 2.452 ( -0.080 -2.913 2.854) 4.079 2.935 ( -1.222 5.772 1.424) 6.069 3.112 ( 7.961 -3.906 1.806) 9.049 3.445 ( -13.552 -3.095 -5.973) 15.130 4.105 ( 3.028 -3.560 0.071) 4.674 4.392 ( 8.255 -0.329 -0.425) 8.273 4.905 ( -18.818 1.573 7.687) 20.388 5.911 ( 6.947 -7.799 -2.963) 10.857 6.621 ( -11.253 24.121 1.453) 26.657 8.109 ( 0.511 -2.134 0.113) 2.197 8.558 ( -2.816 5.455 -1.119) 6.240 8.953 ( 7.299 -9.104 0.733) 11.692 9.621 ( 5.450 -4.456 0.798) 7.085 9.918 ( -1.467 -3.056 1.584) 3.742 10.046 ( -0.387 5.392 1.190) 5.535 10.469 ( 2.056 -7.153 -1.849) 7.669 10.961 ( -5.551 6.778 -4.373) 9.791 12.343 ( -7.717 -5.349 3.119) 9.894 13.478 ( 10.233 17.092 -4.949) 20.527 14.434 ( -0.886 -4.860 0.941) 5.029 14.751 ( -7.626 10.918 5.922) 14.575 15.485 ( -6.237 0.000 14.813) 16.073 16.263 ( 1.066 1.701 2.482) 3.192 16.892 ( 10.851 -6.033 -17.934) 21.812 17.198 ( 4.425 2.297 9.131) 10.403 18.644 ( -3.387 -8.374 -7.336) 11.637 19.820 ( -2.344 -0.204 0.427) 2.391 20.032 ( 0.316 -0.861 -1.622) 1.863 20.245 ( 1.489 0.632 2.377) 2.876 ======================= Grid point 385 (213/294) ======================= q-point: ( 0.42 0.58 0.17) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.422 ( -1.619 -2.094 -1.168) 2.893 2.594 ( 6.141 8.068 1.068) 10.195 2.902 ( -6.174 3.868 -3.418) 8.047 3.179 ( -4.538 -9.828 -3.728) 11.449 3.264 ( 3.402 4.007 5.687) 7.744 4.069 ( -3.010 -5.091 4.626) 7.508 4.416 ( -4.536 -6.162 -1.603) 7.818 4.886 ( 6.603 10.839 7.810) 14.902 5.906 ( 2.861 -5.034 -4.094) 7.091 6.664 ( -11.105 21.181 0.625) 23.924 8.111 ( 2.056 -0.898 -0.237) 2.256 8.518 ( -4.613 -0.466 -1.202) 4.790 8.965 ( 3.133 -6.218 0.462) 6.978 9.673 ( 6.917 -7.681 1.155) 10.401 9.814 ( -6.545 0.949 -1.630) 6.812 10.165 ( 4.164 3.799 2.681) 6.242 10.435 ( 3.765 -6.371 -0.797) 7.443 10.915 ( -6.799 7.103 -1.472) 9.942 12.272 ( 0.211 0.203 2.798) 2.813 13.649 ( -4.566 6.085 -2.605) 8.042 14.434 ( 7.358 6.412 -6.252) 11.591 14.796 ( -2.647 8.376 3.998) 9.651 15.470 ( -7.986 4.356 15.525) 17.994 16.323 ( 3.508 -0.601 1.680) 3.936 16.874 ( 7.482 -4.970 -19.422) 21.398 17.330 ( 1.786 0.618 8.802) 9.003 18.448 ( -3.919 -12.774 -3.193) 13.738 19.812 ( -0.191 1.698 1.229) 2.105 20.014 ( -0.116 -1.424 -1.254) 1.901 20.282 ( 0.818 0.704 1.377) 1.749 ======================= Grid point 386 (214/294) ======================= q-point: ( 0.50 0.58 0.17) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.341 ( -5.415 2.658 -5.675) 8.282 2.752 ( 3.979 4.339 2.938) 6.580 2.822 ( -3.455 3.753 -5.908) 7.806 3.012 ( -2.916 -10.105 2.143) 10.733 3.399 ( 5.250 1.133 4.085) 6.747 3.990 ( -5.780 -3.283 8.840) 11.061 4.245 ( -3.867 -8.576 -3.619) 10.080 5.212 ( 11.912 9.724 5.072) 16.192 5.897 ( 3.607 -1.317 -3.782) 5.390 6.652 ( -13.369 18.713 0.435) 23.002 8.170 ( 5.322 1.025 0.483) 5.441 8.389 ( -4.728 -7.938 -1.898) 9.432 8.954 ( -0.246 -1.745 0.163) 1.769 9.695 ( 2.440 -9.223 2.020) 9.752 9.767 ( 1.165 4.541 -2.621) 5.371 10.179 ( -0.992 -5.366 -1.947) 5.794 10.516 ( 5.755 0.898 6.168) 8.483 10.852 ( -7.136 7.075 -2.480) 10.351 12.375 ( 7.894 3.049 2.548) 8.838 13.459 ( -15.760 0.339 -3.407) 16.127 14.608 ( 7.786 -0.766 -8.727) 11.720 14.930 ( 6.649 14.868 2.099) 16.421 15.488 ( -8.288 8.986 16.890) 20.850 16.362 ( 3.132 -4.245 0.399) 5.290 16.830 ( 6.767 -5.171 -24.866) 26.284 17.352 ( -5.431 2.010 9.778) 11.364 18.281 ( -1.121 -12.422 2.769) 12.776 19.849 ( 1.045 2.387 1.434) 2.974 19.989 ( -0.550 -1.709 -0.644) 1.908 20.298 ( 0.113 0.213 0.151) 0.284 ======================= Grid point 387 (215/294) ======================= q-point: ( 0.58 0.58 0.17) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.288 ( -1.453 7.127 -5.428) 9.076 2.747 ( -5.367 1.029 -0.771) 5.519 2.866 ( 5.196 -1.327 -0.015) 5.362 2.913 ( 0.499 -7.331 -0.797) 7.391 3.491 ( 1.847 -0.127 5.753) 6.043 3.943 ( -3.767 0.590 8.572) 9.382 4.116 ( 0.758 -7.958 -3.828) 8.863 5.409 ( 2.503 3.230 0.991) 4.205 5.944 ( 2.844 -1.907 -3.328) 4.775 6.655 ( -6.063 19.837 2.840) 20.937 8.218 ( -3.480 -10.369 -2.818) 11.294 8.302 ( 7.768 1.940 1.990) 8.251 8.919 ( -2.503 -0.638 -0.485) 2.628 9.626 ( -2.502 -5.287 -0.180) 5.852 9.873 ( 7.483 2.804 -0.878) 8.040 10.081 ( -1.522 -6.349 -2.091) 6.856 10.585 ( -5.734 0.543 8.641) 10.385 10.848 ( 2.608 7.217 -4.720) 9.009 12.555 ( 7.483 0.202 2.804) 7.994 13.224 ( -9.220 3.452 -4.295) 10.741 14.571 ( -1.666 -3.974 -7.544) 8.688 15.179 ( 5.472 7.493 -2.022) 9.496 15.580 ( -2.368 7.624 20.603) 22.095 16.371 ( 2.757 1.784 -6.620) 7.390 16.656 ( -2.522 -12.555 -21.043) 24.634 17.387 ( 0.179 9.306 3.782) 10.047 18.208 ( 0.208 -9.921 9.800) 13.947 19.894 ( 0.624 2.285 0.885) 2.529 19.961 ( -0.549 -1.589 0.356) 1.719 20.292 ( -0.205 -0.503 -1.152) 1.274 ======================= Grid point 388 (216/294) ======================= q-point: (-0.33 -0.42 0.17) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.377 ( 5.443 8.158 -3.288) 10.344 2.619 ( -7.913 -2.947 -2.944) 8.943 2.846 ( 2.626 -7.810 -1.703) 8.414 2.962 ( 6.053 0.185 0.005) 6.056 3.502 ( -4.963 -0.813 7.332) 8.891 3.975 ( 0.029 2.474 7.051) 7.473 4.111 ( 8.598 -3.265 -3.436) 9.818 5.402 ( -2.498 -4.146 -0.690) 4.889 5.840 ( -10.951 1.063 -2.938) 11.388 6.888 ( 10.561 13.156 3.517) 17.233 8.063 ( -3.174 -6.779 -3.110) 8.106 8.447 ( 6.014 -1.196 3.706) 7.164 8.872 ( -1.368 0.760 -2.263) 2.752 9.521 ( -4.663 -3.564 -0.301) 5.877 9.991 ( -0.194 -1.122 -2.549) 2.792 10.042 ( 7.907 -0.018 -0.052) 7.907 10.481 ( -10.735 1.173 5.449) 12.096 10.978 ( 7.248 4.441 -1.667) 8.662 12.557 ( -5.070 -5.171 1.620) 7.421 13.267 ( 8.890 8.216 -2.865) 12.440 14.432 ( -5.823 -3.187 -6.654) 9.399 15.191 ( -2.235 -4.745 -4.029) 6.613 15.718 ( -1.779 0.240 20.754) 20.831 16.317 ( -7.429 -8.159 -18.379) 21.437 16.466 ( 5.341 6.182 -7.848) 11.329 17.556 ( 6.920 12.645 -4.896) 15.223 18.193 ( -1.624 -7.065 16.942) 18.427 19.903 ( -1.190 0.205 0.029) 1.208 19.962 ( 0.679 0.552 1.288) 1.557 20.273 ( -0.017 -1.241 -2.083) 2.425 ======================= Grid point 389 (217/294) ======================= q-point: (-0.25 -0.42 0.17) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.378 ( -8.413 -5.635 -4.473) 11.070 2.577 ( 6.735 4.971 -1.316) 8.474 2.833 ( 4.928 -4.558 -4.080) 7.856 3.082 ( 7.116 2.465 0.177) 7.533 3.403 ( -10.593 -1.032 8.259) 13.471 4.059 ( 2.345 3.707 5.490) 7.027 4.289 ( 16.491 -0.351 -2.796) 16.730 5.223 ( -6.757 -16.773 -1.607) 18.154 5.678 ( -14.146 12.775 -0.516) 19.068 7.183 ( 16.463 -3.440 1.192) 16.861 7.975 ( -2.352 2.738 -3.099) 4.757 8.462 ( -4.773 -3.427 4.299) 7.281 8.895 ( 5.418 0.176 -3.913) 6.686 9.423 ( -5.550 0.508 1.332) 5.730 9.942 ( -1.802 -1.239 -2.054) 3.000 10.184 ( 7.273 1.684 -1.667) 7.650 10.361 ( -7.874 0.996 4.968) 9.364 11.129 ( 7.616 2.621 0.482) 8.068 12.411 ( -6.169 -4.385 1.080) 7.645 13.519 ( 12.656 6.521 -1.885) 14.362 14.266 ( -7.584 -1.645 -4.313) 8.878 15.004 ( -5.968 -12.864 -6.484) 15.593 15.723 ( -3.256 -7.406 5.945) 10.040 16.074 ( -5.678 -4.328 -0.762) 7.180 16.598 ( 5.758 9.413 -9.966) 14.869 17.746 ( 6.113 10.879 -9.215) 15.512 18.220 ( -2.237 -1.049 19.997) 20.150 19.882 ( -0.861 -0.479 0.254) 1.017 19.990 ( 0.647 1.423 0.956) 1.832 20.249 ( 0.448 -1.938 -2.167) 2.942 ======================= Grid point 390 (218/294) ======================= q-point: (-0.17 -0.42 0.17) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.169 ( -5.783 -5.788 -4.464) 9.321 2.700 ( 6.143 -1.511 -0.789) 6.375 2.852 ( 0.575 0.777 -3.251) 3.392 3.171 ( -1.551 -3.809 0.105) 4.114 3.327 ( -0.207 6.950 6.534) 9.541 4.175 ( 2.594 6.372 4.062) 7.990 4.564 ( 18.899 -4.526 -2.317) 19.571 4.911 ( -6.850 -17.493 -1.976) 18.890 5.600 ( -13.513 16.558 1.081) 21.399 7.338 ( 16.643 -20.122 -1.088) 26.135 8.021 ( 1.329 11.904 -3.535) 12.489 8.293 ( -16.015 0.346 3.034) 16.303 8.965 ( 8.028 -6.163 -3.349) 10.661 9.373 ( -5.806 6.259 2.916) 9.021 9.890 ( -2.018 -0.865 -1.127) 2.468 10.262 ( -0.350 2.087 -2.970) 3.647 10.330 ( 1.668 0.156 4.870) 5.150 11.274 ( 6.717 1.559 1.891) 7.150 12.322 ( -1.566 -1.466 1.312) 2.514 13.726 ( 7.921 2.138 -1.736) 8.386 14.122 ( -6.970 -0.145 -0.723) 7.008 14.734 ( -6.992 -10.902 -7.080) 14.760 15.572 ( 2.048 -19.566 -4.500) 20.181 16.038 ( -5.782 9.073 7.053) 12.864 16.689 ( 4.420 1.817 -7.016) 8.488 17.813 ( -2.931 3.570 -0.850) 4.696 18.339 ( 1.994 9.060 8.540) 12.609 19.876 ( 0.404 -0.270 0.428) 0.648 20.019 ( 0.464 1.607 0.887) 1.893 20.228 ( 0.908 -2.681 -1.365) 3.143 ======================= Grid point 395 (219/294) ======================= q-point: ( 0.25 -0.33 0.17) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.249 ( 2.323 8.374 4.036) 9.581 2.518 ( -3.728 -6.496 2.284) 7.830 2.700 ( 12.086 -1.183 4.112) 12.821 2.992 ( 2.308 3.108 0.386) 3.891 3.826 ( -9.442 -3.764 -7.851) 12.844 4.009 ( 3.159 7.464 1.215) 8.196 4.212 ( -0.000 -3.871 -7.074) 8.064 5.385 ( 4.837 -2.905 0.162) 5.645 5.697 ( -7.308 -6.446 4.741) 10.837 6.989 ( -4.977 15.500 -1.737) 16.372 7.956 ( 7.082 -6.403 2.819) 9.955 8.558 ( 3.194 4.527 -2.825) 6.219 8.787 ( 0.145 -2.690 2.560) 3.716 9.528 ( 0.053 -4.625 -0.354) 4.638 9.881 ( -0.636 1.087 3.248) 3.484 10.025 ( 2.765 4.527 0.103) 5.306 10.576 ( -5.635 -4.824 1.248) 7.522 11.091 ( -1.963 4.387 -8.670) 9.913 12.599 ( -4.344 -9.121 -0.796) 10.134 13.247 ( 0.919 13.782 -2.110) 13.973 14.241 ( 6.900 -2.593 5.486) 9.189 14.942 ( 1.388 -9.314 11.157) 14.600 15.636 ( 1.753 -0.466 15.996) 16.098 16.225 ( -1.563 -1.343 3.024) 3.659 16.463 ( 11.424 3.947 -15.896) 19.970 17.319 ( -10.498 5.614 7.235) 13.931 18.734 ( -2.003 -0.420 -13.488) 13.642 19.912 ( -2.790 -2.100 -0.408) 3.516 20.021 ( 0.328 0.685 -1.931) 2.075 20.184 ( 2.040 -0.427 3.059) 3.702 ======================= Grid point 396 (220/294) ======================= q-point: ( 0.33 0.67 0.17) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.376 ( 3.424 -3.552 5.052) 7.061 2.482 ( 0.193 8.726 -0.913) 8.775 2.883 ( 10.103 -2.438 3.668) 11.021 3.047 ( -0.266 3.375 0.205) 3.392 3.559 ( -9.998 -7.380 -6.905) 14.216 4.082 ( -1.658 3.328 -2.744) 4.621 4.277 ( 9.143 6.507 0.650) 11.241 5.270 ( -18.762 0.634 4.066) 19.208 5.627 ( 10.823 -15.122 -1.041) 18.626 7.047 ( -10.081 24.051 -1.346) 26.112 8.014 ( 6.056 -7.110 0.843) 9.377 8.581 ( 0.861 -4.525 -0.093) 4.607 8.835 ( 3.223 3.748 0.677) 4.990 9.492 ( 2.709 -6.850 0.099) 7.367 9.906 ( 0.787 -1.078 2.805) 3.107 10.108 ( 1.200 4.803 1.614) 5.207 10.428 ( -4.781 -4.876 -2.876) 7.410 11.077 ( -3.126 7.823 -3.994) 9.323 12.423 ( -6.609 -7.160 2.166) 9.981 13.457 ( 7.907 16.536 -3.723) 18.703 14.322 ( 5.339 -7.559 2.228) 9.518 14.920 ( -2.387 -3.972 8.928) 10.059 15.681 ( -4.990 -0.387 15.162) 15.967 16.215 ( 3.195 -5.897 0.788) 6.753 16.598 ( 9.553 5.148 -18.055) 21.065 17.314 ( -4.391 8.527 11.085) 14.658 18.583 ( -3.905 -6.436 -11.434) 13.690 19.858 ( -2.185 -0.464 0.634) 2.322 20.015 ( -0.033 -0.032 -1.892) 1.893 20.234 ( 2.106 0.483 2.267) 3.132 ======================= Grid point 397 (221/294) ======================= q-point: ( 0.42 0.67 0.17) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.392 ( 2.723 -4.918 2.658) 6.218 2.599 ( 2.110 9.616 -2.329) 10.116 3.007 ( 6.455 -7.269 0.976) 9.771 3.031 ( -5.541 5.709 -2.837) 8.447 3.348 ( -4.343 -5.106 1.313) 6.831 4.056 ( -0.462 -1.491 -1.142) 1.934 4.491 ( 0.189 10.096 1.757) 10.250 5.011 ( -10.168 1.366 5.523) 11.652 5.672 ( 11.340 -12.911 -3.464) 17.530 7.086 ( -12.635 24.464 -1.139) 27.557 8.035 ( 3.777 -4.309 -0.843) 5.792 8.499 ( -0.759 -13.116 -0.200) 13.140 8.933 ( 1.272 7.582 0.165) 7.689 9.489 ( 5.715 -9.417 0.972) 11.059 9.887 ( -2.642 -0.956 -0.142) 2.814 10.186 ( 0.452 4.789 1.656) 5.088 10.341 ( 1.569 -2.895 -0.582) 3.344 11.073 ( -5.031 7.623 -1.030) 9.191 12.310 ( -3.114 -2.019 3.128) 4.854 13.703 ( 5.080 11.250 -3.237) 12.761 14.302 ( 3.718 -7.301 -3.794) 9.029 14.913 ( -1.794 0.911 7.170) 7.447 15.680 ( -3.705 -0.765 14.378) 14.867 16.223 ( 5.047 -7.664 0.065) 9.177 16.646 ( 4.068 6.217 -22.167) 23.379 17.433 ( -0.870 8.440 13.862) 16.253 18.375 ( -4.502 -10.629 -7.975) 14.031 19.844 ( -0.789 1.270 1.608) 2.196 20.000 ( -0.265 -0.538 -1.490) 1.606 20.279 ( 1.345 0.644 1.444) 2.076 ======================= Grid point 398 (222/294) ======================= q-point: ( 0.50 0.67 0.17) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.401 ( -0.386 1.714 -1.824) 2.533 2.693 ( 4.493 2.742 -4.248) 6.764 2.936 ( -6.598 1.737 -1.345) 6.954 2.947 ( -3.073 -8.534 -2.195) 9.332 3.373 ( 3.903 0.433 8.271) 9.156 4.033 ( -0.442 -2.798 2.736) 3.938 4.370 ( -15.452 0.183 0.869) 15.477 5.151 ( 10.089 10.117 4.549) 14.995 5.711 ( 9.600 -9.360 -4.308) 14.083 7.069 ( -14.772 19.777 -0.668) 24.694 8.068 ( 5.162 -2.457 -1.040) 5.811 8.328 ( -2.030 -15.182 -1.718) 15.413 8.999 ( -1.992 6.630 -0.038) 6.923 9.510 ( 7.122 -9.766 1.660) 12.201 9.841 ( -2.991 3.762 -1.588) 5.062 10.154 ( -3.074 -2.806 -3.327) 5.328 10.459 ( 7.806 2.849 6.561) 10.588 11.030 ( -7.807 5.658 0.026) 9.641 12.329 ( 3.115 2.317 2.822) 4.799 13.677 ( -12.067 -0.221 -1.135) 12.122 14.364 ( 12.382 -0.476 -11.843) 17.140 14.970 ( 2.370 2.004 7.669) 8.274 15.707 ( -1.498 -1.770 13.434) 13.633 16.233 ( 5.424 -7.757 -0.130) 9.467 16.617 ( 0.902 7.726 -26.473) 27.592 17.547 ( -4.890 7.958 12.980) 15.992 18.187 ( -0.970 -11.421 -1.647) 11.580 19.870 ( 0.456 2.224 2.177) 3.146 19.981 ( -0.513 -0.844 -0.814) 1.280 20.302 ( 0.130 0.370 0.375) 0.543 ======================= Grid point 399 (223/294) ======================= q-point: (-0.42 -0.33 0.17) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.388 ( -4.101 8.288 -5.181) 10.599 2.742 ( 5.379 -3.368 -8.802) 10.851 2.804 ( -1.728 -10.502 3.406) 11.175 2.854 ( -4.866 1.246 -0.735) 5.076 3.502 ( 3.847 1.853 9.951) 10.829 4.009 ( -1.735 -3.904 4.167) 5.968 4.160 ( -10.121 1.907 1.168) 10.365 5.372 ( 5.188 2.026 0.458) 5.588 5.800 ( 10.461 -0.922 -3.321) 11.014 6.971 ( -13.326 8.933 1.131) 16.083 8.101 ( 2.190 -7.381 -3.274) 8.366 8.220 ( 4.319 -2.878 -0.017) 5.190 8.984 ( -4.217 1.651 -0.370) 4.544 9.549 ( 4.963 -5.347 0.693) 7.328 9.860 ( 0.140 7.299 -1.179) 7.395 10.047 ( -2.903 -4.727 -2.716) 6.177 10.647 ( 5.983 1.724 9.203) 11.111 10.930 ( -8.586 3.678 -2.249) 9.608 12.462 ( 7.051 2.932 2.377) 7.998 13.422 ( -14.538 -0.934 -1.083) 14.608 14.452 ( 6.245 -0.233 -13.726) 15.082 15.088 ( 6.712 -4.430 5.396) 9.684 15.738 ( 0.563 -5.219 12.774) 13.811 16.274 ( 5.857 -0.315 -2.610) 6.420 16.507 ( -3.766 4.016 -26.398) 26.966 17.572 ( -7.433 10.100 6.252) 14.013 18.142 ( 3.944 -8.485 8.992) 12.977 19.916 ( 0.722 2.509 2.159) 3.388 19.959 ( -0.693 -1.045 0.073) 1.256 20.294 ( -0.965 -0.128 -1.025) 1.414 ======================= Grid point 400 (224/294) ======================= q-point: (-0.33 -0.33 0.17) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.394 ( -1.046 9.382 -5.843) 11.102 2.641 ( -0.893 -10.848 -5.532) 12.210 2.754 ( -3.370 -3.127 -3.053) 5.518 2.842 ( 6.464 -1.743 1.676) 6.902 3.630 ( 0.202 3.823 12.031) 12.625 3.944 ( -0.522 -6.202 1.413) 6.382 4.117 ( -3.140 7.061 3.461) 8.467 5.361 ( -1.097 -7.855 -3.208) 8.556 5.932 ( 2.385 5.938 -2.397) 6.833 6.862 ( -1.243 -6.582 2.281) 7.076 8.044 ( -1.199 1.862 -3.988) 4.561 8.330 ( 8.183 -1.881 2.083) 8.651 8.912 ( -3.701 -0.925 -1.504) 4.100 9.557 ( -1.229 0.509 -0.324) 1.369 9.957 ( 1.173 -1.481 0.060) 1.890 9.970 ( 2.405 4.746 -2.097) 5.719 10.700 ( -9.793 -0.568 10.127) 14.099 10.886 ( 5.637 1.885 -3.947) 7.135 12.566 ( 1.068 -2.074 2.302) 3.278 13.271 ( -3.062 4.746 -1.053) 5.745 14.421 ( -0.692 0.531 -11.821) 11.853 15.091 ( 1.801 -13.680 -0.142) 13.799 15.768 ( 3.379 -11.113 9.342) 14.906 16.269 ( -6.938 -3.222 -14.926) 16.772 16.411 ( 4.807 11.726 -9.204) 15.663 17.618 ( -1.582 13.996 -2.003) 14.227 18.221 ( 3.445 -5.177 18.132) 19.169 19.932 ( -1.626 -0.168 1.150) 1.999 19.965 ( 0.933 1.486 1.439) 2.270 20.260 ( -1.290 -0.806 -2.463) 2.895 ======================= Grid point 401 (225/294) ======================= q-point: (-0.25 -0.33 0.17) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.409 ( -4.625 -3.086 -7.800) 9.579 2.511 ( 3.798 -2.368 -4.303) 6.209 2.673 ( 2.016 -4.850 -5.122) 7.336 2.992 ( 8.477 4.438 3.011) 10.031 3.655 ( -10.474 2.941 12.445) 16.530 3.962 ( 8.952 -5.652 2.477) 10.873 4.197 ( 1.469 9.091 1.889) 9.401 5.169 ( -6.619 -14.773 -3.934) 16.659 5.954 ( -6.526 10.214 -1.033) 12.164 6.833 ( 11.712 -20.687 -0.538) 23.778 8.057 ( -2.297 10.105 -2.676) 10.703 8.433 ( 5.712 -4.261 3.141) 7.788 8.849 ( -1.475 -0.279 -3.327) 3.650 9.538 ( -4.186 5.666 1.138) 7.135 9.927 ( 0.849 -2.280 -1.551) 2.885 10.105 ( 4.786 5.795 -0.271) 7.520 10.543 ( -10.953 -1.309 4.511) 11.918 11.013 ( 8.578 -0.661 1.510) 8.735 12.485 ( -6.414 -4.747 2.791) 8.454 13.391 ( 9.202 6.996 -1.610) 11.671 14.328 ( -4.555 1.741 -8.841) 10.096 14.923 ( -3.279 -14.435 -4.387) 15.439 15.644 ( -2.821 -20.631 -4.770) 21.362 16.125 ( -2.021 0.229 1.437) 2.490 16.556 ( 4.106 11.583 -9.200) 15.352 17.749 ( 2.977 15.299 -6.955) 17.067 18.340 ( 0.918 -1.624 22.361) 22.439 19.907 ( -1.894 -0.455 1.421) 2.411 19.999 ( 0.635 1.587 0.946) 1.953 20.217 ( -0.574 -1.613 -3.109) 3.549 ======================= Grid point 402 (226/294) ======================= q-point: (-0.17 -0.33 0.17) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.182 ( -6.874 -8.540 -7.566) 13.320 2.593 ( 5.733 -0.394 -2.000) 6.085 2.681 ( 8.684 -4.230 -7.636) 12.313 3.205 ( 5.437 10.163 1.968) 11.693 3.520 ( -12.871 -2.087 11.822) 17.601 4.113 ( 11.388 -2.815 2.994) 12.107 4.346 ( 5.793 7.627 0.865) 9.617 4.863 ( -8.762 -16.820 -2.398) 19.116 5.929 ( -9.071 12.515 -0.315) 15.460 6.820 ( 16.372 -28.644 -3.441) 33.172 8.110 ( -1.562 10.096 -2.550) 10.530 8.459 ( -1.176 -2.241 2.829) 3.795 8.821 ( 0.966 -0.630 -3.888) 4.055 9.546 ( -4.963 8.783 2.880) 10.491 9.910 ( -1.037 -0.131 -1.062) 1.490 10.219 ( 4.611 2.977 -0.259) 5.494 10.407 ( -6.638 -0.960 3.141) 7.406 11.156 ( 8.933 -2.152 2.756) 9.593 12.366 ( -4.639 -2.838 3.253) 6.337 13.602 ( 9.868 4.066 -2.267) 10.911 14.222 ( -5.872 2.729 -5.024) 8.196 14.706 ( -5.341 -8.764 -6.051) 11.914 15.332 ( -2.278 -24.441 -7.958) 25.805 16.163 ( 1.577 0.508 6.559) 6.765 16.635 ( 0.619 7.376 -8.640) 11.377 17.890 ( 1.113 12.450 -4.663) 13.341 18.460 ( -0.623 3.391 16.607) 16.961 19.884 ( -1.139 -0.314 1.202) 1.685 20.029 ( 0.768 1.369 1.054) 1.891 20.181 ( 0.436 -2.354 -2.430) 3.411 ======================= Grid point 407 (227/294) ======================= q-point: ( 0.25 -0.25 0.17) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.272 ( 3.073 -5.183 7.891) 9.929 2.446 ( 10.970 2.335 3.222) 11.670 2.598 ( -0.150 -2.012 3.634) 4.157 3.038 ( -1.976 9.054 -1.845) 9.449 3.861 ( -6.240 -7.495 -11.247) 14.887 3.991 ( 6.163 7.014 -1.353) 9.434 4.242 ( -6.806 2.842 -3.471) 8.151 5.121 ( 12.101 -12.224 1.319) 17.251 5.914 ( -13.014 1.014 3.813) 13.599 6.838 ( 26.548 -3.461 -1.045) 26.793 8.008 ( -10.888 3.792 3.194) 11.964 8.487 ( 7.264 2.797 -3.304) 8.456 8.794 ( -1.254 -2.337 3.176) 4.138 9.562 ( -7.371 0.813 -1.491) 7.564 9.894 ( 1.451 0.138 2.223) 2.658 10.096 ( -3.813 6.734 0.763) 7.776 10.583 ( -2.374 -8.579 -0.064) 8.901 11.083 ( 3.616 5.234 -6.800) 9.312 12.539 ( -0.416 -7.707 -3.660) 8.542 13.367 ( -0.731 10.820 1.212) 10.912 14.204 ( -0.858 -0.965 6.173) 6.307 14.818 ( 6.513 -10.758 8.105) 14.961 15.476 ( 17.987 -11.160 12.204) 24.433 16.235 ( 4.324 -0.342 -8.769) 9.783 16.436 ( -8.138 8.096 4.843) 12.459 17.629 ( -13.088 8.924 7.401) 17.485 18.676 ( -1.374 -0.058 -17.430) 17.484 19.926 ( -1.713 -2.161 -0.745) 2.856 20.019 ( -0.104 1.278 -1.499) 1.973 20.164 ( 1.715 -0.746 3.045) 3.574 ======================= Grid point 408 (228/294) ======================= q-point: ( 0.33 -0.25 0.17) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.291 ( 2.666 -9.495 5.435) 11.261 2.560 ( 1.464 8.805 0.771) 8.959 2.747 ( 8.623 1.328 5.667) 10.404 3.087 ( -0.044 6.398 -0.212) 6.402 3.577 ( -8.801 -9.998 -11.563) 17.638 4.137 ( -1.788 2.161 -3.633) 4.590 4.246 ( 6.700 14.513 2.134) 16.127 5.211 ( 14.089 -14.440 -0.436) 20.180 5.652 ( -19.632 -3.444 2.697) 20.113 7.212 ( 14.917 10.330 -2.100) 18.266 7.918 ( -4.029 -0.677 3.655) 5.482 8.515 ( -0.890 -6.649 -1.864) 6.962 8.838 ( 4.470 4.769 2.527) 7.008 9.448 ( -4.225 -3.065 -1.522) 5.437 9.906 ( -0.242 -1.233 2.152) 2.492 10.147 ( 0.550 5.831 2.364) 6.316 10.442 ( -4.153 -5.668 -4.165) 8.168 11.157 ( 0.523 7.948 -2.962) 8.498 12.428 ( -2.117 -7.306 -1.014) 7.674 13.505 ( 2.663 13.907 -0.183) 14.161 14.210 ( 1.599 -5.189 2.809) 6.113 14.859 ( 5.553 -11.689 10.069) 16.397 15.675 ( 11.189 -8.906 8.466) 16.618 16.156 ( -4.945 -3.492 -5.513) 8.188 16.509 ( 3.145 9.194 -0.821) 9.752 17.588 ( -9.378 11.495 9.407) 17.566 18.519 ( -3.678 -4.499 -15.449) 16.506 19.883 ( -1.319 -0.876 0.117) 1.588 20.014 ( -0.601 0.915 -1.785) 2.094 20.212 ( 2.509 0.061 2.205) 3.341 ======================= Grid point 409 (229/294) ======================= q-point: ( 0.42 -0.25 0.17) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.281 ( 4.324 -8.229 3.473) 9.924 2.668 ( -0.297 9.186 -2.747) 9.592 2.876 ( 4.912 -3.057 4.072) 7.075 3.150 ( -1.798 7.753 -0.413) 7.970 3.324 ( -3.064 -8.970 -4.016) 10.295 4.083 ( -3.677 2.473 -2.573) 5.124 4.568 ( 8.778 18.153 2.985) 20.383 5.272 ( -12.943 -12.851 2.133) 18.364 5.307 ( 6.911 -7.662 -2.008) 10.512 7.449 ( -2.759 20.792 -2.971) 21.183 7.910 ( 3.931 -4.818 2.616) 6.746 8.363 ( -2.290 -16.278 -1.123) 16.477 9.001 ( 3.906 10.240 1.299) 11.036 9.353 ( -0.200 -7.777 -0.741) 7.815 9.897 ( -0.309 -1.589 1.128) 1.973 10.224 ( 1.025 2.897 2.952) 4.262 10.328 ( -2.384 -0.413 -3.430) 4.197 11.205 ( -2.578 7.755 -0.800) 8.211 12.342 ( -1.876 -3.425 1.317) 4.121 13.697 ( 5.992 11.703 -1.837) 13.276 14.173 ( 0.759 -8.098 -1.573) 8.284 14.896 ( 4.795 -10.535 10.611) 15.702 15.764 ( 0.004 1.772 1.163) 2.119 16.026 ( 3.113 -13.736 -0.710) 14.102 16.623 ( 0.892 10.705 -6.546) 12.580 17.643 ( -3.950 9.922 12.383) 16.352 18.314 ( -5.344 -6.374 -12.226) 14.787 19.871 ( -0.391 0.616 1.032) 1.264 20.000 ( -0.783 0.541 -1.401) 1.694 20.263 ( 2.215 0.315 1.312) 2.593 ======================= Grid point 410 (230/294) ======================= q-point: (-0.50 -0.25 0.17) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.325 ( 6.842 -4.212 0.265) 8.039 2.661 ( -2.300 0.924 -6.052) 6.540 2.896 ( 0.172 -5.996 2.257) 6.409 3.086 ( -8.130 4.629 -3.860) 10.120 3.355 ( 5.140 2.074 6.840) 8.804 4.052 ( -1.793 1.723 0.828) 2.621 4.669 ( -17.081 3.679 -0.041) 17.473 5.123 ( 6.092 6.005 4.176) 9.519 5.391 ( 13.792 -10.838 -3.481) 17.883 7.469 ( -14.452 14.668 -1.122) 20.622 7.963 ( 4.920 -2.221 0.369) 5.411 8.168 ( 0.734 -16.352 -2.658) 16.583 9.113 ( -3.275 7.533 -0.369) 8.223 9.322 ( 7.057 -7.345 1.316) 10.271 9.886 ( -0.498 1.060 -0.105) 1.176 10.192 ( -4.549 0.898 -4.421) 6.406 10.394 ( 6.453 1.546 5.852) 8.848 11.201 ( -5.992 5.465 1.105) 8.185 12.330 ( 0.905 0.947 2.081) 2.459 13.815 ( -3.588 2.666 -0.719) 4.528 14.120 ( 7.072 -2.976 -8.796) 11.672 14.933 ( 4.636 -10.467 10.216) 15.343 15.711 ( -3.424 -3.145 -3.832) 6.025 16.038 ( 9.934 -7.846 1.658) 12.767 16.650 ( -4.213 11.044 -11.404) 16.424 17.768 ( -0.754 7.496 15.277) 17.034 18.108 ( -5.204 -5.820 -8.130) 11.272 19.891 ( 0.589 1.518 1.663) 2.327 19.984 ( -0.878 0.337 -0.632) 1.133 20.298 ( 1.089 0.236 0.234) 1.138 ======================= Grid point 411 (231/294) ======================= q-point: (-0.42 -0.25 0.17) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.410 ( 6.696 -0.156 -4.157) 7.883 2.586 ( -0.194 -4.611 -6.698) 8.134 2.808 ( -4.401 -5.314 3.316) 7.655 2.970 ( -8.812 2.725 -2.724) 9.618 3.509 ( 4.581 3.905 7.694) 9.769 4.059 ( -2.104 1.603 4.829) 5.506 4.378 ( -14.828 -0.302 -0.089) 14.832 5.277 ( 5.869 -4.098 -2.000) 7.432 5.586 ( 14.958 5.229 -0.452) 15.853 7.227 ( -17.026 -9.513 0.789) 19.519 8.024 ( 3.018 2.751 -1.239) 4.267 8.113 ( 4.079 -1.213 -2.837) 5.114 9.043 ( -4.201 -4.862 -0.603) 6.454 9.440 ( 6.646 3.175 0.986) 7.431 9.912 ( 0.832 4.507 -0.579) 4.619 10.087 ( -6.389 0.750 -3.163) 7.168 10.564 ( 8.974 -0.304 5.695) 10.633 11.117 ( -9.907 1.917 2.362) 10.363 12.409 ( 4.595 3.207 1.621) 5.833 13.638 ( -13.517 -2.846 0.207) 13.815 14.237 ( 11.099 3.011 -13.494) 17.729 14.954 ( 4.731 -12.825 7.566) 15.624 15.597 ( 3.434 -15.750 -3.051) 16.406 16.183 ( 7.917 5.653 -0.580) 9.745 16.564 ( -8.202 7.496 -14.247) 18.067 17.865 ( -10.469 12.074 7.644) 17.715 18.019 ( 7.040 -7.529 5.967) 11.910 19.930 ( 1.141 1.264 1.304) 2.145 19.973 ( -1.007 0.692 0.819) 1.471 20.302 ( -0.503 0.033 -1.199) 1.301 ======================= Grid point 412 (232/294) ======================= q-point: (-0.33 -0.25 0.17) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.433 ( 4.109 -12.962 -11.392) 17.739 2.498 ( -3.649 5.549 -3.254) 7.395 2.783 ( 2.140 1.347 4.725) 5.359 2.810 ( -8.114 -3.441 -2.559) 9.177 3.659 ( 4.974 2.511 8.024) 9.768 4.020 ( -7.676 1.474 4.255) 8.900 4.256 ( -4.156 4.414 3.191) 6.851 5.252 ( 2.050 -8.973 -5.737) 10.845 5.873 ( 10.699 8.919 -0.652) 13.944 6.820 ( -11.120 -25.873 1.425) 28.198 8.112 ( -0.062 12.963 -3.488) 13.424 8.191 ( 6.546 -1.651 1.177) 6.853 8.923 ( -2.540 -6.517 -1.175) 7.092 9.571 ( 3.148 6.672 -0.054) 7.377 9.944 ( -2.028 -1.724 -2.476) 3.635 10.025 ( -1.228 9.223 0.732) 9.334 10.726 ( 9.113 -2.540 3.916) 10.238 10.947 ( -12.607 -1.619 3.233) 13.116 12.523 ( 4.376 1.138 1.099) 4.653 13.416 ( -10.742 0.467 0.751) 10.779 14.332 ( 5.448 3.965 -13.488) 15.077 14.911 ( 2.898 -15.711 2.427) 16.159 15.506 ( 8.596 -20.799 -4.575) 22.966 16.330 ( -3.864 3.434 -3.871) 6.458 16.423 ( -0.500 10.497 -10.063) 14.550 17.826 ( -8.118 13.671 -1.626) 15.982 18.184 ( 8.211 -3.780 19.210) 21.231 19.947 ( -0.019 -0.640 0.518) 0.824 19.988 ( -0.166 2.273 2.193) 3.163 20.269 ( -1.943 -0.322 -2.891) 3.498 ======================= Grid point 413 (233/294) ======================= q-point: (-0.25 -0.25 0.17) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( 3.997 -16.883 -10.885) 20.482 2.451 ( -5.633 3.211 -8.273) 10.511 2.658 ( -2.792 -4.472 -0.017) 5.272 2.940 ( 7.248 8.075 4.559) 11.769 3.805 ( 6.472 -0.472 6.786) 9.389 3.921 ( -9.828 1.426 6.702) 11.981 4.295 ( -0.964 7.522 2.870) 8.108 5.109 ( -4.137 -11.279 -6.223) 13.530 6.063 ( 2.959 8.636 -1.900) 9.324 6.461 ( 1.492 -32.390 0.249) 32.425 8.196 ( -2.938 11.905 -2.292) 12.475 8.290 ( 7.452 -3.905 2.122) 8.676 8.848 ( -0.605 -1.279 -2.017) 2.463 9.667 ( -0.855 9.955 0.642) 10.012 9.876 ( -0.457 -2.868 -1.416) 3.231 10.139 ( 1.216 10.241 0.822) 10.346 10.720 ( -10.544 -4.290 -1.881) 11.538 10.867 ( 7.216 -4.343 7.825) 11.496 12.541 ( -2.518 -2.941 2.403) 4.557 13.350 ( 0.570 3.276 -0.619) 3.382 14.344 ( -0.268 4.673 -10.717) 11.695 14.795 ( 0.205 -13.934 -1.015) 13.973 15.383 ( 4.430 -22.401 -10.319) 25.058 16.169 ( -5.858 -2.746 -2.086) 6.798 16.577 ( 3.614 13.498 -5.437) 14.994 17.859 ( -2.569 15.529 -5.072) 16.537 18.397 ( 5.946 -1.515 23.317) 24.111 19.938 ( -0.990 -0.703 1.789) 2.162 20.014 ( -0.170 1.825 0.801) 2.000 20.207 ( -2.166 -0.958 -4.032) 4.677 ======================= Grid point 414 (234/294) ======================= q-point: (-0.17 -0.25 0.17) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.094 ( -0.765 -16.594 -10.885) 19.860 2.372 ( 6.515 -5.378 -9.151) 12.455 2.629 ( -0.984 2.613 -0.141) 2.796 3.193 ( 9.332 10.878 3.954) 14.868 3.764 ( -12.617 -4.357 7.618) 15.369 3.946 ( 7.137 -2.527 6.984) 10.300 4.392 ( 1.623 9.467 1.000) 9.658 4.855 ( -8.811 -12.489 -3.105) 15.596 6.114 ( -3.120 5.692 -0.574) 6.517 6.275 ( 12.034 -30.249 -4.629) 32.883 8.213 ( -2.770 4.946 -1.607) 5.892 8.364 ( 5.645 -5.402 0.725) 7.847 8.855 ( -1.066 6.650 -1.639) 6.932 9.737 ( -4.783 11.635 2.642) 12.854 9.876 ( 3.894 -1.428 -0.862) 4.237 10.225 ( -1.033 4.866 1.091) 5.092 10.524 ( -7.506 -1.815 -0.649) 7.749 10.988 ( 8.950 -5.884 5.134) 11.877 12.448 ( -5.991 -3.426 4.528) 8.254 13.454 ( 9.312 1.232 -2.843) 9.814 14.303 ( -3.653 4.692 -7.714) 9.740 14.669 ( -1.804 -7.777 -1.636) 8.150 15.105 ( -3.771 -21.853 -12.273) 25.345 16.112 ( 2.511 -5.279 2.666) 6.425 16.693 ( -0.147 11.224 -5.418) 12.465 17.965 ( 1.265 15.161 -6.568) 16.571 18.584 ( 1.405 0.817 20.998) 21.061 19.918 ( -2.144 -0.432 1.961) 2.937 20.028 ( 0.686 0.634 -0.155) 0.947 20.151 ( -0.777 -1.303 -2.982) 3.346 ======================= Grid point 480 (235/294) ======================= q-point: ( 0.25 0.25 0.25) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 292 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( -0.000 0.000 22.161) 22.161 1.124 ( -0.000 0.000 22.161) 22.161 2.702 ( -0.000 0.000 38.724) 38.724 3.139 ( -0.000 0.000 5.307) 5.307 3.632 ( 0.000 -0.000 -16.804) 16.804 3.632 ( 0.000 -0.000 -16.804) 16.804 5.152 ( -0.000 0.000 5.482) 5.482 5.152 ( -0.000 0.000 5.482) 5.482 5.848 ( 0.000 -0.000 -4.612) 4.612 6.223 ( 0.000 -0.000 -11.461) 11.461 8.017 ( -0.000 0.000 0.778) 0.778 8.017 ( 0.000 0.000 0.778) 0.778 9.396 ( 0.000 0.000 0.828) 0.828 9.396 ( 0.000 0.000 0.828) 0.828 9.750 ( -0.000 0.000 0.420) 0.420 9.750 ( -0.000 0.000 0.420) 0.420 10.987 ( -0.000 0.000 2.481) 2.481 11.645 ( 0.000 -0.000 -4.444) 4.444 12.409 ( -0.000 0.000 2.598) 2.598 12.409 ( -0.000 0.000 2.598) 2.598 13.132 ( 0.000 -0.000 -3.815) 3.815 13.132 ( 0.000 -0.000 -3.815) 3.815 15.957 ( -0.000 0.000 8.511) 8.511 15.957 ( -0.000 0.000 8.511) 8.511 16.945 ( -0.000 0.000 0.348) 0.348 18.236 ( -0.000 0.000 0.899) 0.899 19.703 ( -0.000 0.000 2.491) 2.491 19.840 ( 0.000 -0.000 -2.320) 2.320 19.840 ( 0.000 -0.000 -2.320) 2.320 20.138 ( 0.000 -0.000 -0.250) 0.250 ======================= Grid point 481 (236/294) ======================= q-point: ( 0.33 0.25 0.25) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( 13.951 -8.254 18.719) 24.762 1.723 ( 22.869 20.173 19.166) 36.018 2.851 ( -1.758 0.264 3.489) 3.916 3.136 ( -1.175 -5.796 20.647) 21.477 3.467 ( -3.491 10.410 -2.602) 11.284 3.730 ( 8.114 2.476 -15.676) 17.825 4.962 ( -11.864 -10.568 5.338) 16.761 5.268 ( 0.903 4.812 1.829) 5.226 5.812 ( -7.579 -4.900 -8.434) 12.352 6.016 ( -2.511 -3.262 0.268) 4.125 7.942 ( -0.504 -3.203 1.603) 3.617 8.174 ( 7.472 4.582 0.158) 8.766 9.315 ( -1.627 -2.016 0.944) 2.757 9.584 ( 4.274 3.352 -2.659) 6.048 9.761 ( 0.761 4.481 0.861) 4.626 9.857 ( 11.847 5.101 -1.306) 12.965 10.941 ( -4.895 -2.839 2.056) 6.020 11.418 ( -14.848 -8.498 -2.806) 17.336 12.423 ( -1.373 11.145 2.381) 11.479 12.696 ( 19.966 3.819 2.429) 20.473 13.022 ( 5.196 -10.978 -4.495) 12.951 13.496 ( 22.200 22.802 -8.614) 32.969 15.892 ( -5.295 -11.700 8.294) 15.288 16.028 ( -2.352 7.532 7.689) 11.018 16.990 ( 3.544 1.857 1.351) 4.223 18.158 ( -8.016 -4.979 1.018) 9.491 19.351 ( -17.057 -14.913 1.293) 22.694 19.844 ( -0.759 3.605 -2.319) 4.353 20.054 ( 8.255 5.486 -0.336) 9.917 20.131 ( -0.218 -0.177 -0.426) 0.510 ======================= Grid point 482 (237/294) ======================= q-point: ( 0.42 0.25 0.25) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( 20.631 -5.432 12.290) 24.621 2.255 ( 10.953 6.831 19.896) 23.717 2.735 ( -3.660 -5.938 -3.104) 7.635 3.195 ( 1.978 9.052 -13.860) 16.672 3.727 ( 5.157 12.343 0.426) 13.383 3.781 ( 8.054 7.250 14.559) 18.149 4.676 ( -13.562 -10.401 4.081) 17.571 5.225 ( -11.257 2.040 -3.131) 11.862 5.608 ( 2.044 -5.572 -1.433) 6.106 6.077 ( 5.105 -1.385 1.656) 5.543 7.955 ( 2.822 -0.931 2.636) 3.972 8.309 ( 5.605 1.410 -1.163) 5.896 9.339 ( 3.822 2.146 1.049) 4.507 9.524 ( -6.267 -4.805 -1.465) 8.031 9.856 ( 3.356 5.778 2.126) 7.012 10.105 ( 8.323 6.313 -4.784) 11.490 10.826 ( -5.358 -3.991 0.192) 6.684 11.087 ( -13.495 -6.055 -2.241) 14.960 12.546 ( -3.027 17.902 3.389) 18.470 12.883 ( 6.235 -7.723 -7.747) 12.591 13.264 ( 31.822 -2.015 5.852) 32.418 14.055 ( 22.146 25.588 -9.789) 35.228 15.683 ( -9.241 -13.724 6.763) 17.874 16.118 ( -0.771 8.116 6.526) 10.443 17.082 ( 3.185 1.790 3.353) 4.959 17.870 ( -18.229 -12.135 0.832) 21.914 19.004 ( -9.403 -11.576 -1.121) 14.956 19.857 ( -0.166 3.515 -2.298) 4.203 20.100 ( -1.023 -0.842 -0.677) 1.488 20.195 ( 2.558 3.722 0.656) 4.564 ======================= Grid point 483 (238/294) ======================= q-point: ( 0.50 0.25 0.25) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.827 ( 14.139 -4.184 6.790) 16.233 2.467 ( 2.675 1.591 12.115) 12.509 2.670 ( 2.456 -5.611 3.647) 7.129 3.215 ( -0.865 5.233 -8.710) 10.198 3.719 ( -1.980 9.789 -14.178) 17.342 4.238 ( 10.718 2.978 15.321) 18.934 4.401 ( -12.156 -3.075 2.145) 12.721 5.069 ( -7.097 8.727 1.362) 11.331 5.731 ( 16.277 -1.690 -2.130) 16.503 6.115 ( 0.987 -3.912 3.080) 5.076 8.037 ( 4.501 1.143 3.573) 5.860 8.381 ( 4.328 0.059 -2.522) 5.010 9.310 ( -11.886 -6.217 -1.403) 13.487 9.467 ( 7.121 2.212 1.326) 7.573 9.983 ( 3.393 4.519 3.827) 6.825 10.123 ( -5.534 -0.740 -3.084) 6.378 10.674 ( -6.457 -7.323 -0.771) 9.794 10.934 ( -1.463 4.898 -5.524) 7.526 12.679 ( -3.075 15.414 3.452) 16.092 12.862 ( 6.410 -6.547 -7.525) 11.856 13.854 ( 34.118 -0.163 8.494) 35.160 14.517 ( 10.976 20.181 -3.578) 23.250 15.478 ( -3.917 -9.160 5.297) 11.283 16.214 ( -0.429 6.503 5.281) 8.388 17.142 ( -0.380 -1.239 4.697) 4.873 17.390 ( -22.380 -13.754 -1.965) 26.342 18.808 ( -2.704 -7.358 -4.819) 9.202 19.879 ( 0.393 3.407 -2.184) 4.066 20.065 ( -1.165 -1.310 -1.152) 2.098 20.242 ( -0.567 2.117 1.584) 2.704 ======================= Grid point 484 (239/294) ======================= q-point: ( 0.58 0.25 0.25) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.985 ( 7.495 -2.914 3.934) 8.952 2.577 ( 1.512 4.079 6.412) 7.748 2.717 ( 4.994 -5.502 5.110) 9.018 3.140 ( -6.358 -1.757 -2.476) 7.046 3.737 ( 1.279 9.862 -10.776) 14.664 4.131 ( -10.096 -4.752 1.816) 11.305 4.352 ( -3.437 -2.145 -3.008) 5.046 5.216 ( 5.783 11.325 5.533) 13.867 5.921 ( 1.108 -4.455 -0.951) 4.688 6.225 ( 19.128 5.760 3.909) 20.356 8.134 ( 2.567 0.298 3.980) 4.745 8.429 ( 3.351 -0.075 -3.979) 5.202 9.031 ( -12.194 -7.386 0.102) 14.257 9.601 ( 4.834 3.538 0.592) 6.020 9.933 ( -8.913 -6.230 0.636) 10.893 10.065 ( -1.371 0.570 1.924) 2.430 10.565 ( -0.302 -1.149 2.206) 2.505 10.972 ( 2.244 7.109 -10.077) 12.535 12.725 ( 0.823 -1.912 -2.597) 3.328 12.937 ( 3.301 10.041 -0.468) 10.580 14.316 ( 13.505 -7.629 10.050) 18.482 14.770 ( 8.588 12.992 1.591) 15.655 15.522 ( 6.617 2.377 10.594) 12.715 16.268 ( -1.453 2.252 3.945) 4.769 16.800 ( -18.909 -18.042 -8.879) 27.602 17.228 ( -2.305 5.675 5.842) 8.465 18.698 ( 0.621 -5.392 -8.692) 10.247 19.908 ( 0.714 3.221 -1.945) 3.830 20.029 ( -0.814 -1.402 -1.465) 2.185 20.244 ( -1.990 0.888 2.243) 3.127 ======================= Grid point 485 (240/294) ======================= q-point: ( 0.67 0.25 0.25) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.111 ( 7.423 0.387 4.614) 8.749 2.652 ( -1.271 4.343 2.305) 5.078 2.722 ( -2.012 -6.745 6.715) 9.728 2.990 ( -5.892 -3.392 -2.107) 7.118 3.794 ( 3.596 3.436 -8.356) 9.724 3.991 ( -4.872 -0.163 1.066) 4.989 4.243 ( -3.531 0.990 -7.834) 8.649 5.393 ( 3.131 1.302 1.751) 3.817 5.815 ( -4.063 -3.371 4.096) 6.682 6.702 ( 21.298 10.995 0.144) 23.969 8.095 ( -8.806 -4.728 3.703) 10.659 8.422 ( 2.619 -5.403 -4.922) 7.764 8.871 ( -3.435 1.013 2.420) 4.323 9.631 ( -6.502 1.136 -0.418) 6.614 9.823 ( 4.661 -3.708 1.758) 6.210 10.008 ( -3.847 -2.799 1.602) 5.020 10.645 ( 3.252 4.236 5.063) 7.359 10.996 ( 1.163 4.770 -12.475) 13.407 12.681 ( 0.493 -4.858 -4.037) 6.336 13.103 ( 3.130 11.621 1.736) 12.159 14.299 ( -3.970 -9.145 8.079) 12.832 15.067 ( 6.472 6.790 5.003) 10.631 15.734 ( 2.436 0.781 23.242) 23.383 16.251 ( -1.864 -4.229 3.807) 5.987 16.347 ( -8.592 -8.139 -18.882) 22.284 17.328 ( 2.621 8.944 6.196) 11.191 18.617 ( 2.245 -4.621 -13.014) 13.992 19.939 ( 0.576 2.931 -1.581) 3.379 19.999 ( -0.147 -1.252 -1.656) 2.081 20.227 ( -2.342 0.304 2.823) 3.681 ======================= Grid point 486 (241/294) ======================= q-point: (-0.25 0.25 0.25) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.288 ( 6.898 4.515 6.778) 10.673 2.528 ( -10.475 -10.071 6.261) 15.822 2.705 ( -4.500 5.259 2.646) 7.410 2.898 ( 1.549 -4.588 -3.323) 5.873 3.819 ( 4.576 -1.370 -9.092) 10.270 3.948 ( -2.760 1.331 -0.569) 3.117 4.210 ( 1.166 5.875 -7.252) 9.405 5.306 ( -9.892 -5.394 3.054) 11.674 5.881 ( 7.723 2.400 3.780) 8.927 6.903 ( -7.041 -3.002 -2.494) 8.050 7.976 ( 1.935 1.642 4.036) 4.768 8.376 ( 2.270 -8.671 -3.543) 9.638 8.878 ( -3.205 3.429 2.464) 5.301 9.555 ( 0.055 0.991 -0.086) 0.997 9.920 ( -0.875 -0.427 2.935) 3.092 9.967 ( 6.715 0.097 -0.293) 6.722 10.739 ( -2.146 5.571 4.963) 7.763 10.960 ( 0.666 -0.820 -12.073) 12.119 12.613 ( -1.854 -2.581 -3.368) 4.630 13.253 ( 3.491 6.714 1.001) 7.634 14.246 ( -0.008 -2.782 9.127) 9.542 15.048 ( -11.857 -3.947 5.244) 13.553 15.714 ( -13.142 -12.667 16.026) 24.290 16.195 ( 0.671 2.199 -8.132) 8.451 16.309 ( 9.120 2.293 3.983) 10.213 17.553 ( 9.175 10.692 5.475) 15.116 18.528 ( 2.416 -4.761 -17.954) 18.731 19.954 ( -0.659 1.549 -1.400) 2.190 19.990 ( 1.258 0.025 -1.534) 1.984 20.211 ( -2.153 0.513 3.437) 4.088 ======================= Grid point 493 (242/294) ======================= q-point: ( 0.33 0.33 0.25) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( -16.977 15.967 18.535) 29.777 1.763 ( 10.343 26.066 17.565) 33.090 2.834 ( 0.193 -6.526 -2.367) 6.944 3.217 ( -4.779 -9.747 -6.727) 12.771 3.433 ( 10.712 3.977 21.611) 24.446 3.702 ( -1.365 11.412 -7.608) 13.784 5.080 ( -8.669 -8.437 4.379) 12.864 5.179 ( 9.455 -6.050 2.231) 11.444 5.749 ( -0.563 -9.259 -11.080) 14.450 6.045 ( -1.611 2.749 -0.524) 3.229 7.966 ( -2.457 -1.403 2.550) 3.808 8.147 ( 0.545 6.159 0.280) 6.189 9.423 ( -6.229 3.241 -1.221) 7.127 9.501 ( 7.116 5.633 -1.364) 9.177 9.714 ( 1.067 -0.821 1.045) 1.704 9.873 ( -0.377 9.973 -0.251) 9.983 10.946 ( 0.011 -6.919 2.299) 7.291 11.392 ( -0.059 -17.619 -3.038) 17.879 12.422 ( 10.861 0.775 2.113) 11.092 12.712 ( -8.621 18.490 6.375) 21.374 13.123 ( -18.030 12.336 -10.192) 24.107 13.369 ( 16.082 24.032 -6.179) 29.569 15.900 ( -4.712 -12.924 7.376) 15.609 16.110 ( 4.910 4.048 8.068) 10.276 16.991 ( -0.155 3.630 1.250) 3.843 18.174 ( -0.189 -7.673 0.804) 7.717 19.357 ( -4.176 -23.662 1.674) 24.086 19.806 ( 3.474 -0.135 -2.047) 4.034 20.067 ( 0.411 10.578 -0.658) 10.607 20.130 ( -0.050 -0.050 -0.526) 0.531 ======================= Grid point 494 (243/294) ======================= q-point: ( 0.42 0.33 0.25) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( -2.280 15.168 17.020) 22.911 2.273 ( 10.727 13.662 16.267) 23.798 2.713 ( -3.011 -6.940 -2.823) 8.075 3.115 ( 3.974 0.065 -12.635) 13.245 3.672 ( 5.778 8.381 -14.291) 17.546 3.882 ( 6.872 8.975 27.719) 29.935 4.820 ( -12.561 -10.077 4.268) 16.659 5.268 ( 4.060 -3.291 -0.108) 5.228 5.531 ( -4.216 -10.636 -8.313) 14.142 6.067 ( -1.022 5.235 1.564) 5.559 7.949 ( -0.216 0.690 4.523) 4.581 8.241 ( 3.963 3.327 -1.454) 5.375 9.338 ( -2.298 -0.091 0.919) 2.477 9.610 ( -4.368 4.495 -2.889) 6.901 9.783 ( 8.707 -0.810 1.896) 8.948 10.041 ( 6.549 12.765 -3.291) 14.719 10.851 ( -3.645 -8.436 1.662) 9.338 11.145 ( -6.795 -14.859 -2.639) 16.551 12.710 ( -0.420 10.374 -1.161) 10.447 12.792 ( 19.340 -2.762 5.120) 20.196 13.008 ( -9.959 23.392 -3.614) 25.679 13.916 ( 21.654 31.510 -9.250) 39.336 15.703 ( -6.976 -16.929 6.992) 19.600 16.235 ( 0.410 6.368 5.614) 8.499 17.064 ( 3.160 3.162 2.756) 5.252 17.997 ( -10.620 -13.944 1.381) 17.582 19.016 ( -9.540 -19.600 1.678) 21.863 19.846 ( 2.260 0.529 -2.248) 3.231 20.101 ( -0.738 -1.447 -0.423) 1.678 20.198 ( 2.864 6.929 -1.116) 7.581 ======================= Grid point 495 (244/294) ======================= q-point: ( 0.50 0.33 0.25) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.750 ( 5.394 12.335 13.429) 19.015 2.458 ( 2.397 -2.406 2.342) 4.126 2.665 ( -0.852 -1.789 11.390) 11.561 3.160 ( 5.697 3.551 -12.212) 13.935 3.722 ( 2.190 8.650 -16.391) 18.663 4.210 ( 6.764 -0.184 18.514) 19.712 4.569 ( -11.190 -4.680 2.442) 12.373 5.230 ( -4.709 1.639 -0.743) 5.041 5.487 ( 10.089 1.120 -2.930) 10.565 6.100 ( 0.044 -0.172 3.638) 3.643 8.020 ( 2.716 2.732 5.576) 6.777 8.306 ( 3.389 1.416 -3.105) 4.810 9.319 ( -0.384 -7.489 1.385) 7.626 9.530 ( -6.569 7.903 -2.007) 10.471 9.939 ( 7.993 0.208 3.499) 8.728 10.163 ( -0.849 4.221 -4.631) 6.324 10.694 ( -5.918 -9.324 0.081) 11.044 10.955 ( -1.692 -3.202 -3.861) 5.294 12.643 ( -2.138 -2.140 -6.626) 7.284 13.059 ( -3.982 19.184 3.414) 19.888 13.368 ( 29.416 10.192 6.155) 31.734 14.488 ( 17.068 28.699 -6.799) 34.076 15.468 ( -5.590 -15.192 6.100) 17.299 16.314 ( -0.885 6.083 2.971) 6.827 17.151 ( 1.329 0.368 3.702) 3.950 17.595 ( -19.074 -17.705 1.933) 26.096 18.753 ( -4.577 -12.877 -0.908) 13.696 19.871 ( 1.562 1.364 -2.500) 3.248 20.064 ( -1.179 -1.991 -0.704) 2.419 20.272 ( 0.773 3.634 -0.556) 3.757 ======================= Grid point 496 (245/294) ======================= q-point: ( 0.58 0.33 0.25) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( 1.450 8.921 9.436) 13.066 2.508 ( 7.320 -2.589 0.467) 7.778 2.713 ( -0.177 0.696 9.405) 9.432 3.170 ( -1.005 -0.845 -4.961) 5.131 3.732 ( 1.013 6.016 -13.986) 15.259 4.229 ( -4.340 -8.437 7.068) 11.831 4.402 ( -7.677 -0.065 -3.278) 8.348 5.226 ( 3.340 -0.351 0.306) 3.372 5.767 ( 11.750 9.438 -1.767) 15.175 6.147 ( 5.256 3.463 8.368) 10.471 8.113 ( 2.262 0.260 4.743) 5.261 8.371 ( 3.992 3.600 -3.034) 6.173 9.135 ( -9.959 -9.773 -0.116) 13.954 9.580 ( 2.494 7.089 -0.068) 7.516 10.003 ( -5.073 -5.786 -0.580) 7.717 10.100 ( -1.022 -0.129 2.178) 2.409 10.545 ( -1.196 -5.676 0.633) 5.835 10.960 ( 2.193 6.240 -8.058) 10.425 12.565 ( 1.760 -5.159 -7.272) 9.088 13.192 ( -5.142 20.530 4.562) 21.650 13.970 ( 27.703 3.034 9.061) 29.304 14.813 ( 1.586 10.390 -1.411) 10.604 15.453 ( 9.920 3.612 6.644) 12.474 16.339 ( -2.405 1.656 0.893) 3.053 16.921 ( -20.236 -19.392 -2.081) 28.105 17.353 ( -2.421 4.089 5.409) 7.200 18.589 ( -1.314 -9.927 -4.345) 10.915 19.897 ( 1.655 1.698 -2.683) 3.581 20.022 ( -1.074 -1.962 -0.747) 2.358 20.292 ( -1.093 1.805 0.202) 2.120 ======================= Grid point 497 (246/294) ======================= q-point: ( 0.67 0.33 0.25) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.109 ( 1.456 8.001 7.350) 10.962 2.608 ( 5.416 -4.168 3.380) 7.625 2.773 ( -0.018 3.090 5.247) 6.089 3.060 ( -6.896 -2.666 -3.310) 8.100 3.711 ( 1.764 -0.525 -10.893) 11.047 4.111 ( -6.277 -1.702 2.837) 7.095 4.276 ( -5.327 3.019 -6.580) 8.988 5.312 ( 7.802 -2.291 -0.380) 8.140 5.807 ( -1.898 -8.054 1.666) 8.440 6.551 ( 18.095 21.126 5.326) 28.321 8.136 ( 0.262 -4.987 3.328) 6.001 8.394 ( -5.000 -0.072 -3.418) 6.057 8.933 ( -3.837 -2.345 1.451) 4.725 9.701 ( 5.110 4.957 0.508) 7.138 9.773 ( -10.037 -8.823 -1.753) 13.479 10.071 ( -4.130 -2.082 3.339) 5.704 10.587 ( 7.241 -1.443 3.101) 8.008 11.001 ( -0.247 8.883 -10.848) 14.023 12.523 ( 4.130 -6.290 -5.902) 9.563 13.320 ( -5.228 18.859 3.969) 19.968 14.258 ( 4.552 -10.109 9.979) 14.917 14.969 ( 12.063 7.760 -0.073) 14.344 15.793 ( 10.375 7.905 18.697) 22.797 16.246 ( -5.972 -8.905 -5.195) 11.915 16.410 ( -16.277 -9.292 -5.619) 19.566 17.439 ( -0.081 10.069 4.882) 11.190 18.461 ( 0.677 -9.077 -8.584) 12.511 19.926 ( 1.850 1.626 -2.739) 3.683 19.987 ( -0.738 -1.485 -0.589) 1.759 20.282 ( -1.909 1.012 1.080) 2.415 ======================= Grid point 498 (247/294) ======================= q-point: (-0.25 0.33 0.25) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.285 ( 5.558 8.781 7.105) 12.588 2.599 ( -3.583 -8.105 7.482) 11.598 2.809 ( -2.215 2.925 1.235) 3.871 2.898 ( -6.661 -0.933 -3.901) 7.775 3.672 ( 3.697 -4.020 -9.460) 10.923 4.039 ( -4.432 3.277 -0.307) 5.521 4.226 ( -2.024 6.434 -6.179) 9.147 5.365 ( -0.510 -4.275 1.193) 4.467 5.747 ( 6.083 -8.338 3.064) 10.766 6.979 ( 4.757 15.967 0.093) 16.661 8.033 ( -6.879 -5.331 4.494) 9.795 8.250 ( -0.379 -7.217 -3.457) 8.011 8.965 ( -0.404 4.907 1.914) 5.282 9.561 ( -3.786 -6.771 -0.679) 7.787 9.845 ( 7.027 4.012 0.595) 8.113 10.002 ( -4.502 -0.103 2.605) 5.203 10.710 ( 7.258 -4.035 2.386) 8.640 10.991 ( -4.371 9.851 -10.095) 14.767 12.513 ( 4.616 -5.638 -3.634) 8.142 13.401 ( -6.290 14.395 1.439) 15.775 14.241 ( 1.672 -8.041 11.250) 13.928 15.138 ( -1.041 -2.605 -0.706) 2.893 15.826 ( -9.933 -19.644 12.073) 25.106 16.194 ( 4.699 12.182 3.245) 13.454 16.249 ( 0.987 -0.410 -1.463) 1.812 17.594 ( 3.170 13.381 3.004) 14.076 18.337 ( 1.617 -8.835 -13.676) 16.362 19.956 ( 1.950 0.480 -2.435) 3.156 19.965 ( -0.533 0.083 -0.603) 0.809 20.268 ( -1.811 1.009 2.042) 2.910 ======================= Grid point 505 (248/294) ======================= q-point: ( 0.33 0.42 0.25) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.842 ( 3.357 27.389 12.545) 30.312 2.184 ( -20.864 17.404 15.367) 31.214 2.732 ( -0.191 -7.603 -4.064) 8.623 3.026 ( 4.060 -6.853 -13.316) 15.516 3.572 ( -5.068 5.019 -3.540) 7.963 3.809 ( -3.111 2.584 24.094) 24.432 4.895 ( 15.904 -7.340 3.033) 17.777 5.104 ( -2.014 -14.409 -2.023) 14.689 5.621 ( -1.563 -1.527 -6.269) 6.639 6.137 ( -1.074 8.666 0.890) 8.777 7.994 ( 0.093 1.780 2.605) 3.156 8.261 ( -5.652 5.136 -1.360) 7.757 9.367 ( 5.175 1.381 0.569) 5.386 9.617 ( -4.765 3.460 -2.506) 6.400 9.700 ( -1.137 -1.563 1.823) 2.656 10.028 ( -6.005 9.927 -1.739) 11.731 10.856 ( 2.943 -7.601 1.585) 8.303 11.134 ( 8.280 -16.161 -2.659) 18.352 12.337 ( -1.466 -4.858 2.839) 5.815 13.076 ( -1.607 20.510 1.414) 20.622 13.406 ( -0.601 28.491 -1.330) 28.529 13.594 ( -26.695 17.068 -11.447) 33.689 15.829 ( 3.049 -14.848 4.491) 15.809 16.107 ( 3.391 4.558 8.436) 10.171 17.065 ( -2.974 2.734 2.466) 4.733 18.012 ( 9.701 -12.233 0.362) 15.617 19.119 ( 7.589 -16.051 -0.415) 17.760 19.778 ( -1.449 -1.169 -1.252) 2.243 20.104 ( 0.496 -0.944 -0.376) 1.130 20.173 ( -1.747 5.050 0.185) 5.347 ======================= Grid point 506 (249/294) ======================= q-point: ( 0.42 0.42 0.25) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.961 ( -19.110 20.510 12.663) 30.761 2.346 ( 5.346 14.800 8.634) 17.949 2.662 ( 2.795 -3.057 -0.220) 4.147 2.960 ( 2.514 -4.839 -9.927) 11.326 3.586 ( 3.908 6.440 -13.931) 15.837 3.994 ( 4.011 2.312 27.547) 27.933 4.890 ( -6.198 -14.192 0.228) 15.488 5.088 ( 12.994 -4.282 3.383) 14.094 5.488 ( -6.419 -1.871 -8.268) 10.633 6.182 ( -3.468 7.342 0.313) 8.125 8.010 ( -1.661 1.704 4.501) 5.091 8.246 ( -1.022 5.468 -2.168) 5.970 9.387 ( -4.178 -6.261 0.431) 7.540 9.571 ( 6.824 4.348 -2.574) 8.491 9.784 ( -1.162 5.382 2.089) 5.889 10.079 ( 1.248 12.280 -2.227) 12.543 10.802 ( -0.297 -10.375 2.275) 10.626 11.021 ( 0.464 -17.307 -2.563) 17.502 12.454 ( 15.495 0.175 2.830) 15.752 13.009 ( -18.576 7.689 -2.295) 20.235 13.484 ( -14.403 33.608 -0.454) 36.567 13.839 ( 18.474 33.385 -9.169) 39.242 15.669 ( -4.345 -18.202 5.391) 19.475 16.276 ( 4.188 5.126 5.390) 8.536 17.083 ( 0.312 3.071 2.920) 4.249 17.952 ( -0.869 -16.862 -0.236) 16.886 18.948 ( -4.285 -20.801 1.491) 21.290 19.793 ( 2.806 0.802 -1.203) 3.157 20.090 ( -0.240 -1.946 -0.440) 2.009 20.221 ( 1.053 5.512 -0.725) 5.658 ======================= Grid point 507 (250/294) ======================= q-point: ( 0.50 0.42 0.25) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.999 ( -6.203 18.026 11.449) 22.237 2.419 ( -1.326 -2.536 0.041) 2.862 2.763 ( -2.271 1.935 13.758) 14.078 2.982 ( 10.590 2.975 -11.829) 16.153 3.627 ( 5.151 4.147 -16.245) 17.539 4.193 ( 4.362 -5.720 17.081) 18.534 4.668 ( -6.666 -10.251 1.061) 12.273 5.248 ( -0.487 -0.237 -3.607) 3.648 5.408 ( 6.370 10.311 1.708) 12.240 6.164 ( -4.512 2.150 1.613) 5.252 8.059 ( 0.831 3.958 6.301) 7.487 8.275 ( 0.799 3.559 -3.630) 5.146 9.278 ( -1.858 -7.119 1.114) 7.441 9.679 ( -0.868 3.646 -1.942) 4.221 9.826 ( 4.092 3.943 2.112) 6.062 10.193 ( 0.278 6.763 -4.131) 7.930 10.682 ( -3.634 -11.235 2.028) 11.981 10.876 ( 1.585 -8.834 -2.916) 9.437 12.731 ( -4.851 -1.070 -2.332) 5.487 12.855 ( 15.897 6.538 -1.488) 17.253 13.623 ( -10.110 34.468 5.803) 36.386 14.433 ( 19.872 33.034 -8.661) 39.512 15.443 ( -5.582 -17.414 6.358) 19.361 16.375 ( 0.543 3.946 1.259) 4.177 17.157 ( 2.103 2.577 3.788) 5.041 17.660 ( -10.990 -22.376 -0.385) 24.932 18.703 ( -4.873 -15.569 2.281) 16.472 19.836 ( 2.233 1.071 -1.844) 3.087 20.057 ( -0.884 -2.412 -0.429) 2.605 20.280 ( 1.421 3.299 -1.184) 3.782 ======================= Grid point 508 (251/294) ======================= q-point: ( 0.58 0.42 0.25) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.177 ( -1.580 14.678 11.851) 18.931 2.385 ( 2.252 -1.873 -1.008) 3.098 2.782 ( -1.672 0.972 6.676) 6.951 3.108 ( 4.969 0.538 -3.031) 5.845 3.645 ( 4.011 1.540 -15.042) 15.643 4.202 ( -0.046 -11.653 7.881) 14.067 4.504 ( -5.211 -4.157 -0.751) 6.708 5.151 ( -1.819 -1.136 -6.923) 7.248 5.768 ( 7.925 18.727 3.279) 20.598 6.145 ( 2.626 1.138 7.181) 7.730 8.132 ( -0.720 0.837 4.685) 4.813 8.332 ( 4.488 6.190 -2.173) 7.949 9.160 ( -4.618 -10.011 0.706) 11.047 9.656 ( -3.230 4.621 -0.421) 5.654 9.967 ( 5.079 1.331 0.822) 5.314 10.134 ( -4.866 -2.635 -2.472) 6.061 10.521 ( -3.667 -9.046 1.000) 9.812 10.901 ( 5.801 2.762 -4.985) 8.132 12.558 ( -7.699 1.139 -7.337) 10.696 13.250 ( 18.945 2.335 3.715) 19.447 13.882 ( 0.939 28.547 7.538) 29.540 14.861 ( 3.876 12.032 -4.836) 13.534 15.369 ( 8.507 2.764 7.851) 11.902 16.377 ( -2.318 -0.411 -2.774) 3.639 17.049 ( -16.798 -16.605 -0.003) 23.620 17.398 ( 2.004 -1.918 2.482) 3.722 18.521 ( -3.738 -11.802 1.463) 12.466 19.867 ( 1.714 1.344 -2.550) 3.354 20.017 ( -1.002 -2.303 -0.118) 2.515 20.310 ( 0.343 1.432 -1.086) 1.830 ======================= Grid point 509 (252/294) ======================= q-point: ( 0.67 0.42 0.25) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( -5.272 9.839 7.976) 13.720 2.486 ( 8.407 -1.153 3.395) 9.140 2.822 ( 0.384 3.540 3.361) 4.897 3.103 ( -2.617 -2.301 -1.505) 3.796 3.606 ( 1.220 -2.822 -12.120) 12.504 4.122 ( -0.713 -7.950 2.295) 8.305 4.416 ( -5.430 5.300 -2.034) 7.855 5.128 ( 5.727 -2.800 -5.051) 8.133 5.810 ( -5.354 -5.728 1.286) 7.945 6.519 ( 16.905 22.524 8.084) 29.299 8.106 ( -1.418 -3.792 1.351) 4.268 8.462 ( 0.285 5.444 0.451) 5.470 8.972 ( -5.449 -6.812 0.367) 8.731 9.661 ( 0.603 -2.317 0.342) 2.419 9.878 ( -9.216 -0.576 -3.677) 9.939 10.115 ( -0.075 -1.625 4.130) 4.438 10.461 ( 4.647 -4.504 -0.066) 6.472 11.002 ( 3.937 7.269 -6.803) 10.706 12.438 ( -2.529 -0.858 -6.409) 6.943 13.517 ( 5.731 8.404 4.175) 10.996 14.163 ( 3.400 4.893 7.889) 9.886 14.893 ( 3.907 4.887 -1.455) 6.423 15.769 ( 15.039 12.596 15.005) 24.698 16.229 ( -7.247 -7.913 -11.200) 15.511 16.575 ( -17.663 -13.677 0.261) 22.340 17.518 ( 4.491 8.275 1.261) 9.500 18.361 ( -3.559 -10.734 -0.585) 11.324 19.891 ( 1.762 1.152 -3.027) 3.687 19.985 ( -0.714 -1.534 0.355) 1.729 20.311 ( -0.554 0.499 -0.553) 0.928 ======================= Grid point 510 (253/294) ======================= q-point: ( 0.75 0.42 0.25) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.342 ( 0.309 5.022 5.624) 7.546 2.590 ( 2.474 -2.759 6.326) 7.331 2.882 ( -1.001 4.479 2.782) 5.367 2.985 ( -6.659 -0.779 -3.454) 7.542 3.526 ( 2.274 -4.947 -9.571) 11.011 4.071 ( -0.061 -1.945 -1.822) 2.665 4.389 ( -7.681 12.588 -1.449) 14.817 5.221 ( 11.072 -3.512 -3.567) 12.151 5.644 ( -3.906 -13.101 3.708) 14.165 7.033 ( 12.847 23.400 3.424) 26.913 8.052 ( -0.597 -5.590 1.228) 5.754 8.310 ( -14.643 -6.724 -0.049) 16.113 8.988 ( 4.669 5.268 1.307) 7.160 9.538 ( -4.924 -11.282 -1.654) 12.420 9.828 ( 0.652 5.363 -0.142) 5.404 10.091 ( -3.547 0.594 3.980) 5.365 10.537 ( 8.184 -4.591 -2.014) 9.598 11.077 ( 0.204 9.084 -5.858) 10.811 12.389 ( 2.014 -2.360 -4.228) 5.244 13.649 ( -3.986 11.930 2.179) 12.766 14.177 ( 1.058 -9.808 9.977) 14.031 15.071 ( 6.187 4.241 -4.406) 8.699 15.833 ( -8.348 -20.472 7.780) 23.438 16.224 ( 3.557 5.266 -3.605) 7.306 16.300 ( -2.691 5.338 7.102) 9.283 17.684 ( 3.748 13.096 -2.054) 13.775 18.194 ( -3.046 -10.610 -3.928) 11.717 19.912 ( 1.913 0.358 -2.737) 3.359 19.971 ( -0.338 -0.118 0.326) 0.484 20.302 ( -0.703 0.295 0.296) 0.818 ======================= Grid point 517 (254/294) ======================= q-point: ( 0.33 0.50 0.25) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.058 ( 5.017 21.310 6.095) 22.725 2.521 ( 0.358 1.200 8.230) 8.325 2.800 ( -0.216 5.893 9.689) 11.342 2.933 ( -16.243 -2.777 -14.381) 21.872 3.536 ( 0.677 -3.522 -13.348) 13.822 4.169 ( -14.860 3.352 22.912) 27.514 4.581 ( 16.319 -5.870 3.639) 17.720 4.920 ( 0.913 -15.086 -3.105) 15.429 5.733 ( -7.766 11.002 -3.482) 13.909 6.207 ( 1.992 5.938 0.850) 6.321 8.046 ( -1.711 3.174 3.250) 4.854 8.362 ( -3.037 4.178 -3.455) 6.214 9.308 ( 2.272 -5.743 -0.356) 6.187 9.602 ( 7.038 8.272 2.584) 11.164 9.823 ( -11.873 -2.907 0.244) 12.226 10.131 ( 0.845 1.270 -1.347) 2.035 10.770 ( 2.977 -2.025 -0.200) 3.606 10.849 ( 5.582 -11.834 -3.614) 13.574 12.390 ( -9.558 -8.384 4.206) 13.392 13.122 ( 11.754 20.694 -6.249) 24.605 13.894 ( -19.059 25.828 6.618) 32.774 14.124 ( -24.166 15.263 -7.106) 29.453 15.618 ( 7.888 -10.106 1.695) 12.932 16.176 ( -1.336 2.373 7.699) 8.167 17.141 ( -2.484 -0.401 3.678) 4.457 17.630 ( 20.336 -15.427 -0.926) 25.542 18.876 ( 6.343 -7.979 -3.649) 10.827 19.799 ( -3.026 -1.477 -0.797) 3.460 20.075 ( 1.097 -1.202 -0.934) 1.877 20.231 ( -0.936 1.637 1.368) 2.330 ======================= Grid point 518 (255/294) ======================= q-point: ( 0.42 0.50 0.25) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.376 ( 4.108 16.402 8.008) 18.709 2.496 ( -12.127 -6.071 -9.191) 16.383 2.621 ( -3.117 11.908 0.010) 12.310 2.912 ( -1.047 2.494 8.354) 8.781 3.484 ( 3.450 -0.527 -13.314) 13.764 4.139 ( -4.942 -2.106 21.578) 22.237 4.757 ( 2.065 -15.496 -3.544) 16.030 4.853 ( 14.785 -0.569 6.478) 16.152 5.641 ( -11.275 8.927 -5.092) 15.256 6.281 ( -0.638 6.219 -0.964) 6.326 8.072 ( -0.895 2.608 3.884) 4.763 8.327 ( -3.601 5.191 -3.983) 7.469 9.306 ( 3.386 -8.663 1.197) 9.378 9.612 ( -7.032 2.398 -3.294) 8.127 9.818 ( 4.727 5.546 4.484) 8.556 10.165 ( 0.591 6.293 -1.846) 6.584 10.731 ( -1.025 -6.560 0.875) 6.697 10.814 ( 4.288 -13.324 -1.781) 14.109 12.314 ( 3.594 -1.472 3.569) 5.274 13.337 ( -10.524 7.570 -2.702) 13.242 13.866 ( 3.312 32.056 -12.416) 34.535 14.083 ( -15.575 32.136 6.125) 36.233 15.557 ( 0.073 -16.260 2.380) 16.434 16.287 ( 3.744 5.243 5.502) 8.472 17.123 ( -0.794 -0.638 3.118) 3.280 17.707 ( 9.093 -18.701 -1.936) 20.884 18.801 ( 0.373 -15.715 -1.303) 15.773 19.774 ( 0.388 0.989 0.338) 1.115 20.067 ( 0.343 -1.983 -0.725) 2.139 20.252 ( 0.038 2.837 0.423) 2.868 ======================= Grid point 519 (256/294) ======================= q-point: ( 0.50 0.50 0.25) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.235 ( -7.665 1.058 -6.074) 9.837 2.530 ( -5.013 8.480 9.410) 13.623 2.780 ( 10.511 4.998 -9.781) 15.203 2.940 ( -5.728 5.337 15.265) 17.156 3.476 ( 4.875 0.084 -13.572) 14.421 4.161 ( 0.673 -9.548 14.221) 17.142 4.593 ( -0.602 -15.091 -2.591) 15.323 5.182 ( 12.605 6.236 5.758) 15.196 5.539 ( -7.335 14.968 -2.853) 16.911 6.272 ( -5.009 2.612 -1.182) 5.771 8.121 ( 0.517 3.906 5.351) 6.645 8.305 ( -2.186 4.738 -4.488) 6.882 9.229 ( -0.790 -11.214 1.488) 11.340 9.618 ( 3.826 4.020 -2.972) 6.296 9.901 ( -0.824 2.023 4.004) 4.561 10.235 ( 0.219 6.412 -4.185) 7.660 10.647 ( -2.751 -8.101 3.527) 9.254 10.733 ( 2.836 -8.705 -2.383) 9.460 12.501 ( 15.648 0.853 3.882) 16.145 13.069 ( -19.116 6.314 -7.710) 21.558 14.179 ( -13.715 32.312 7.149) 35.823 14.372 ( 19.412 33.506 -10.030) 40.001 15.392 ( -3.506 -15.040 5.084) 16.259 16.395 ( 1.507 3.092 0.978) 3.576 17.157 ( 3.375 0.502 3.090) 4.603 17.539 ( -3.461 -23.535 -3.541) 24.051 18.632 ( -2.279 -15.005 2.299) 15.350 19.810 ( 1.709 1.754 -0.054) 2.450 20.042 ( -0.391 -2.442 -0.427) 2.510 20.282 ( 0.719 2.078 -0.586) 2.276 ======================= Grid point 520 (257/294) ======================= q-point: ( 0.58 0.50 0.25) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.209 ( 4.722 1.709 -1.788) 5.331 2.541 ( -7.853 7.871 5.930) 12.601 2.845 ( -0.222 2.510 -0.635) 2.598 3.041 ( 2.928 1.655 7.391) 8.121 3.492 ( 5.217 1.167 -12.634) 13.719 4.124 ( 0.327 -12.822 8.211) 15.229 4.448 ( 0.522 -11.903 -1.571) 12.017 5.235 ( -7.015 6.104 -5.625) 10.867 5.826 ( 10.565 20.535 5.081) 23.646 6.186 ( -3.699 0.817 2.443) 4.507 8.196 ( -2.003 2.157 4.341) 5.244 8.315 ( 3.238 5.846 -2.768) 7.234 9.116 ( -1.519 -10.880 1.036) 11.034 9.678 ( 1.472 -1.241 -1.411) 2.387 9.948 ( 2.642 4.221 2.364) 5.512 10.181 ( -5.634 -1.693 -5.102) 7.787 10.514 ( -5.370 -8.200 2.996) 10.249 10.789 ( 7.691 2.339 -2.380) 8.383 12.687 ( -5.474 -1.277 -1.852) 5.918 12.965 ( 12.753 7.643 -2.438) 15.066 14.302 ( -10.355 26.957 6.390) 29.576 14.844 ( 9.146 14.731 -8.904) 19.492 15.332 ( 5.306 4.188 9.835) 11.934 16.387 ( -2.717 -1.854 -3.661) 4.922 17.139 ( -14.256 -21.570 -2.544) 25.981 17.281 ( 8.822 -0.156 -0.277) 8.828 18.489 ( -2.864 -11.602 5.353) 13.094 19.848 ( 1.062 1.852 -1.123) 2.413 20.009 ( -0.679 -2.357 0.195) 2.460 20.302 ( 0.747 0.695 -1.288) 1.644 ======================= Grid point 521 (258/294) ======================= q-point: ( 0.67 0.50 0.25) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.356 ( 9.738 2.125 1.462) 10.074 2.495 ( -7.743 4.396 3.101) 9.428 2.879 ( -0.361 4.909 3.137) 5.837 3.087 ( 0.926 -3.936 1.924) 4.478 3.501 ( 1.399 -0.222 -9.167) 9.276 4.054 ( 0.707 -9.045 3.939) 9.891 4.401 ( 5.403 -4.964 -1.314) 7.454 5.148 ( -7.508 8.465 -5.438) 12.554 5.863 ( -7.870 -7.605 -0.150) 10.945 6.502 ( 16.748 23.267 7.613) 29.662 8.132 ( -4.621 -2.658 0.115) 5.332 8.478 ( 5.703 7.087 1.909) 9.295 8.974 ( -3.847 -9.583 -0.042) 10.326 9.631 ( -1.668 -6.165 -0.287) 6.393 10.016 ( -8.529 1.497 -4.296) 9.666 10.080 ( 5.710 1.826 1.768) 6.250 10.388 ( -2.410 -6.278 1.618) 6.917 10.941 ( 7.196 5.984 -3.142) 9.873 12.508 ( -9.220 0.901 -5.575) 10.812 13.327 ( 20.165 2.564 2.660) 20.501 14.363 ( -9.349 9.593 3.999) 13.979 14.903 ( 0.258 7.173 -2.693) 7.666 15.733 ( 14.954 15.659 13.801) 25.677 16.213 ( -7.919 -7.453 -12.297) 16.416 16.694 ( -13.903 -17.021 -0.991) 22.000 17.453 ( 9.561 5.667 -3.640) 11.695 18.365 ( -5.165 -9.268 7.464) 12.972 19.868 ( 0.659 1.524 -2.182) 2.742 19.984 ( -0.453 -1.542 0.969) 1.876 20.306 ( 0.467 -0.297 -1.453) 1.555 ======================= Grid point 522 (259/294) ======================= q-point: ( 0.75 0.50 0.25) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.413 ( -4.699 -1.761 0.600) 5.054 2.541 ( 7.282 2.699 4.223) 8.840 2.957 ( 0.418 5.272 4.415) 6.890 3.034 ( -2.529 -2.640 -1.737) 4.047 3.422 ( -1.622 -4.350 -6.773) 8.212 4.034 ( 1.141 -2.321 1.478) 2.979 4.519 ( 7.903 6.232 -1.461) 10.170 5.096 ( -3.717 6.301 -4.486) 8.581 5.626 ( -7.461 -15.417 2.128) 17.259 7.037 ( 16.404 23.596 4.482) 29.085 8.032 ( -2.846 -4.696 -0.220) 5.496 8.482 ( -11.101 -5.479 1.592) 12.481 8.936 ( 6.338 2.979 -0.126) 7.004 9.504 ( -4.383 -10.084 -0.845) 11.028 9.901 ( -4.554 2.435 -1.838) 5.482 10.163 ( -0.584 2.450 3.798) 4.557 10.364 ( 5.262 -3.941 -2.331) 6.976 11.086 ( 4.846 7.241 -2.680) 9.115 12.374 ( -4.233 0.103 -4.290) 6.028 13.645 ( 13.659 2.090 3.350) 14.218 14.233 ( -9.755 -3.874 4.001) 11.233 15.020 ( 3.166 8.128 -5.419) 10.269 15.830 ( -8.847 -16.792 6.143) 19.949 16.186 ( 5.895 7.400 -4.170) 10.340 16.420 ( -4.300 -0.453 4.397) 6.167 17.639 ( 9.270 8.259 -9.767) 15.797 18.227 ( -7.996 -6.573 8.829) 13.605 19.878 ( 0.975 0.735 -2.335) 2.635 19.977 ( -0.146 -0.175 1.140) 1.162 20.300 ( 0.409 -0.710 -1.037) 1.322 ======================= Grid point 530 (260/294) ======================= q-point: ( 0.33 0.58 0.25) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.146 ( 5.442 13.692 1.663) 14.827 2.551 ( -1.514 -2.628 5.011) 5.857 2.835 ( 0.913 5.919 2.741) 6.586 3.145 ( -2.056 0.938 1.670) 2.810 3.458 ( -9.433 -4.262 -11.601) 15.547 4.235 ( 9.519 -9.203 0.305) 13.244 4.416 ( 6.901 -0.636 2.791) 7.471 4.965 ( -17.464 -3.868 7.563) 19.420 5.947 ( -4.162 6.166 -2.391) 7.814 6.245 ( -1.982 12.448 0.381) 12.610 8.129 ( -2.686 1.231 3.448) 4.540 8.421 ( -1.993 5.536 -4.237) 7.251 9.136 ( 9.002 -8.938 -0.424) 12.693 9.619 ( 2.079 5.144 2.414) 6.051 9.985 ( -8.602 -1.162 0.460) 8.692 10.033 ( 6.601 -4.453 2.322) 8.295 10.600 ( 5.639 -6.845 -0.855) 8.909 10.832 ( -4.622 2.985 -5.905) 8.071 12.512 ( -12.051 -10.251 5.057) 16.610 13.088 ( 10.585 19.811 -6.619) 23.416 14.469 ( -24.081 8.978 0.197) 25.701 14.494 ( -4.089 13.815 7.999) 16.479 15.512 ( -2.654 1.363 1.553) 3.363 16.251 ( -1.353 -0.141 4.911) 5.096 17.078 ( 19.610 -17.316 -3.322) 26.371 17.202 ( 3.780 1.425 4.745) 6.232 18.716 ( 3.379 -3.975 -7.264) 8.943 19.835 ( -3.253 -1.114 -0.467) 3.470 20.039 ( 1.214 -0.869 -1.404) 2.049 20.252 ( 0.361 0.079 2.022) 2.055 ======================= Grid point 531 (261/294) ======================= q-point: ( 0.42 0.58 0.25) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.390 ( 8.318 10.958 -1.054) 13.798 2.500 ( -3.480 -3.847 -0.907) 5.266 2.808 ( -7.872 3.623 -5.325) 10.171 3.146 ( -7.938 10.143 12.599) 18.018 3.320 ( 4.872 -5.643 -8.729) 11.479 4.238 ( 0.328 -8.992 5.607) 10.602 4.553 ( 6.392 -8.308 -2.125) 10.696 4.786 ( -2.379 3.791 11.212) 12.072 5.884 ( -8.394 6.577 -3.514) 11.228 6.338 ( -0.796 11.264 -2.347) 11.534 8.124 ( -0.768 0.479 2.796) 2.939 8.411 ( -3.507 6.636 -4.376) 8.688 9.157 ( 4.915 -10.311 0.593) 11.438 9.706 ( -0.771 0.921 -2.082) 2.404 9.847 ( -3.987 1.117 4.597) 6.187 10.122 ( 5.996 0.199 0.864) 6.061 10.588 ( 4.708 -10.705 -2.858) 12.039 10.796 ( -3.803 4.436 0.060) 5.843 12.328 ( -4.688 -4.033 4.997) 7.951 13.422 ( 8.240 16.050 -4.943) 18.706 14.165 ( -16.433 14.725 -8.216) 23.545 14.609 ( -9.287 19.897 9.126) 23.778 15.470 ( -3.314 -2.057 1.890) 4.334 16.299 ( 3.101 2.022 3.137) 4.852 17.061 ( 4.982 -14.921 -1.345) 15.788 17.380 ( 10.518 -4.971 1.598) 11.743 18.647 ( 1.096 -10.871 -4.680) 11.886 19.796 ( -1.305 0.754 1.214) 1.935 20.036 ( 0.706 -1.611 -1.113) 2.081 20.273 ( 0.233 1.154 1.296) 1.751 ======================= Grid point 532 (262/294) ======================= q-point: ( 0.50 0.58 0.25) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.304 ( -8.455 -2.437 -8.259) 12.068 2.631 ( 8.847 8.549 -3.795) 12.875 2.726 ( -5.072 4.499 1.408) 6.925 3.151 ( -4.612 -0.640 7.743) 9.035 3.360 ( 3.416 2.902 -1.251) 4.653 4.168 ( -3.341 -9.219 10.167) 14.125 4.430 ( -0.248 -13.318 -4.580) 14.086 5.067 ( 14.040 8.991 8.476) 18.703 5.796 ( -7.918 10.423 -3.175) 13.469 6.374 ( -4.790 8.663 -3.561) 10.520 8.154 ( 1.905 1.354 2.788) 3.639 8.380 ( -4.425 5.182 -4.000) 7.902 9.110 ( 2.004 -12.259 1.144) 12.474 9.647 ( -3.229 4.846 -3.120) 6.606 9.882 ( 3.510 -5.563 4.325) 7.872 10.221 ( 3.239 1.263 -1.952) 3.987 10.565 ( 5.108 -5.766 0.154) 7.705 10.748 ( -7.099 2.388 1.896) 7.726 12.355 ( 6.441 0.929 4.362) 7.835 13.387 ( -16.895 4.108 -5.571) 18.258 14.326 ( 13.777 27.307 -10.896) 32.468 14.669 ( -9.438 16.640 6.522) 20.211 15.405 ( -6.285 1.727 6.424) 9.151 16.388 ( 3.318 1.360 0.153) 3.589 16.993 ( 7.892 -17.417 -5.479) 19.891 17.410 ( -1.484 -5.867 1.559) 6.249 18.524 ( 0.205 -12.797 0.144) 12.799 19.815 ( 0.586 2.066 1.669) 2.719 20.020 ( 0.096 -2.059 -0.608) 2.149 20.290 ( -0.012 0.955 0.260) 0.990 ======================= Grid point 533 (263/294) ======================= q-point: ( 0.58 0.58 0.25) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.170 ( -1.424 2.199 -6.243) 6.771 2.695 ( -3.424 3.042 -1.315) 4.766 2.810 ( 5.857 4.981 -0.464) 7.702 3.090 ( -1.960 -7.103 4.404) 8.584 3.441 ( 0.374 7.483 1.235) 7.594 4.076 ( -3.136 -9.759 8.415) 13.262 4.296 ( 1.628 -12.541 -2.823) 12.958 5.322 ( 2.696 5.770 0.206) 6.372 5.879 ( 5.220 12.579 1.033) 13.658 6.323 ( -7.659 10.260 -1.501) 12.891 8.254 ( 4.649 3.955 4.082) 7.343 8.311 ( -4.140 0.116 -4.224) 5.916 9.024 ( 0.330 -10.595 0.615) 10.618 9.654 ( -0.386 2.411 -1.875) 3.078 9.903 ( 4.509 -5.028 1.817) 6.994 10.186 ( -1.744 -5.139 -3.775) 6.611 10.624 ( -8.677 -0.442 6.798) 11.032 10.688 ( 6.346 5.259 -2.646) 8.656 12.565 ( 12.868 0.732 4.476) 13.644 13.099 ( -16.063 6.126 -7.273) 18.666 14.618 ( -0.339 1.594 -2.731) 3.181 14.808 ( 6.076 25.898 -5.305) 27.125 15.436 ( -2.155 13.780 12.343) 18.625 16.391 ( -2.186 -2.948 -2.532) 4.459 16.894 ( 7.113 -23.659 -12.274) 27.586 17.309 ( -5.582 1.396 2.808) 6.402 18.440 ( 0.532 -10.241 6.130) 11.948 19.855 ( 0.491 2.343 0.955) 2.578 19.997 ( -0.289 -2.064 0.217) 2.096 20.293 ( -0.024 0.059 -0.927) 0.930 ======================= Grid point 534 (264/294) ======================= q-point: ( 0.67 0.58 0.25) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.238 ( 7.799 4.696 -2.116) 9.347 2.626 ( -6.168 0.291 -2.369) 6.613 2.917 ( 2.956 2.902 0.016) 4.142 3.023 ( 1.182 -8.462 1.985) 8.772 3.508 ( -2.143 5.407 2.212) 6.222 4.001 ( -0.548 -5.332 4.562) 7.038 4.231 ( 4.826 -9.283 -0.618) 10.481 5.337 ( -5.367 8.542 -2.445) 10.380 5.908 ( -6.705 -7.160 -2.880) 10.224 6.524 ( 10.784 24.033 5.147) 26.839 8.185 ( -5.464 -4.613 -1.686) 7.347 8.432 ( 8.109 4.724 2.482) 9.708 8.926 ( -1.633 -8.299 -0.537) 8.475 9.610 ( -2.840 -4.695 -0.514) 5.512 9.977 ( 6.142 -0.866 -1.839) 6.470 10.088 ( -1.512 -2.765 -2.417) 3.972 10.483 ( -10.521 0.432 4.218) 11.343 10.864 ( 7.824 6.136 -0.356) 9.950 12.638 ( -6.957 -2.461 -0.705) 7.413 13.091 ( 11.726 8.241 -1.639) 14.426 14.522 ( -5.340 -6.032 -1.865) 8.269 15.012 ( -1.594 16.655 -4.526) 17.332 15.754 ( 10.165 17.753 13.940) 24.755 16.216 ( -8.733 -8.117 -9.503) 15.247 16.646 ( -2.610 -19.472 -7.509) 21.033 17.350 ( 4.964 6.454 -3.735) 8.958 18.402 ( -1.684 -7.072 11.312) 13.447 19.877 ( -0.585 1.989 -0.417) 2.115 19.981 ( -0.082 -1.367 1.279) 1.874 20.283 ( 0.309 -0.864 -1.818) 2.037 ======================= Grid point 536 (265/294) ======================= q-point: (-0.25 -0.42 -0.75) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.432 ( 6.556 1.135 -0.644) 6.684 2.487 ( -3.393 0.188 -2.162) 4.028 2.935 ( 2.301 -6.975 -1.888) 7.583 3.036 ( 2.822 2.763 1.377) 4.182 3.463 ( -7.731 -0.500 3.361) 8.445 4.024 ( 1.286 1.429 4.216) 4.634 4.305 ( 13.418 -3.072 -2.377) 13.968 5.316 ( -7.316 11.386 -1.529) 13.620 5.633 ( -11.821 -13.409 -1.548) 17.942 6.999 ( 16.342 20.467 4.130) 26.515 8.038 ( -4.354 -6.852 -1.764) 8.307 8.555 ( -0.996 -2.609 2.724) 3.901 8.858 ( 3.254 -0.442 -1.831) 3.759 9.492 ( -4.383 -6.575 -0.032) 7.902 9.955 ( -2.553 -1.613 -3.006) 4.261 10.144 ( 6.348 1.953 -2.062) 6.954 10.363 ( -7.067 0.673 4.379) 8.341 11.042 ( 7.017 6.202 0.123) 9.366 12.464 ( -8.762 -0.848 -2.434) 9.133 13.411 ( 17.323 4.011 1.457) 17.841 14.344 ( -7.302 -6.985 -0.728) 10.131 15.054 ( -2.934 5.263 -7.020) 9.251 15.885 ( -10.405 -10.459 1.896) 14.875 16.131 ( 6.691 6.669 -0.634) 9.468 16.453 ( -0.298 -4.194 -0.062) 4.205 17.499 ( 8.603 8.275 -10.433) 15.853 18.366 ( -5.645 -3.532 14.298) 15.773 19.874 ( -0.704 1.109 -1.197) 1.777 19.984 ( 0.171 -0.047 1.677) 1.687 20.270 ( 0.827 -1.446 -1.956) 2.570 ======================= Grid point 543 (266/294) ======================= q-point: ( 0.33 0.67 0.25) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( 2.227 11.825 1.652) 12.145 2.570 ( -2.447 -5.689 4.098) 7.426 2.886 ( 3.768 4.521 3.604) 6.901 3.047 ( 6.235 -3.323 -1.045) 7.142 3.599 ( -11.558 -1.063 -7.583) 13.864 4.037 ( 5.347 -2.242 -0.308) 5.806 4.258 ( 8.053 -2.629 -3.365) 9.115 5.279 ( -14.867 0.616 4.533) 15.555 5.867 ( 6.336 -9.286 1.808) 11.386 6.588 ( -14.303 22.766 -2.193) 26.976 8.146 ( 2.015 -5.377 2.572) 6.292 8.486 ( -0.072 8.225 -3.595) 8.977 8.910 ( 7.554 -6.648 1.238) 10.139 9.603 ( 2.029 -4.139 0.350) 4.623 9.929 ( 4.429 1.593 3.580) 5.914 10.056 ( 0.547 -0.352 1.284) 1.439 10.530 ( -5.022 -6.495 -0.958) 8.266 10.909 ( -3.045 6.675 -5.959) 9.451 12.606 ( -7.323 -10.061 2.739) 12.742 13.107 ( 4.068 17.134 -3.356) 17.927 14.470 ( 7.287 -5.334 4.474) 10.078 14.929 ( -15.287 6.990 5.388) 17.652 15.744 ( -10.700 7.897 12.852) 18.494 16.237 ( 1.261 -4.557 -6.169) 7.773 16.573 ( 20.590 -7.383 -2.807) 22.053 17.259 ( -3.291 2.448 6.898) 8.026 18.596 ( 1.718 -2.184 -11.547) 11.877 19.875 ( -2.951 -0.883 -0.189) 3.086 20.007 ( 0.923 -0.291 -1.779) 2.025 20.248 ( 1.278 -0.466 2.396) 2.755 ======================= Grid point 544 (267/294) ======================= q-point: ( 0.42 0.67 0.25) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.381 ( 4.303 11.413 -1.569) 12.298 2.506 ( -1.582 -5.000 1.950) 5.595 2.924 ( -4.589 4.179 -2.376) 6.646 3.126 ( 7.745 -5.118 -1.094) 9.347 3.398 ( -8.731 1.673 1.867) 9.084 4.097 ( 6.012 -4.539 -1.295) 7.644 4.390 ( 8.296 0.810 0.161) 8.337 5.036 ( -15.753 -0.147 7.654) 17.515 5.873 ( 4.997 -9.235 -1.442) 10.599 6.600 ( -10.811 24.789 -3.845) 27.315 8.121 ( 0.401 -4.390 1.084) 4.539 8.521 ( -3.134 7.827 -2.848) 8.899 8.966 ( 6.807 -8.833 0.759) 11.177 9.630 ( 5.452 -4.638 0.153) 7.159 9.954 ( -4.906 -5.296 2.945) 7.796 10.079 ( 1.905 6.855 1.763) 7.330 10.426 ( 2.262 -7.192 -2.833) 8.054 10.917 ( -3.358 8.236 -0.598) 8.914 12.414 ( -7.364 -6.541 5.259) 11.166 13.394 ( 10.370 18.484 -4.890) 21.751 14.419 ( -7.380 -4.525 -2.451) 8.997 14.841 ( -6.588 7.175 4.701) 10.816 15.729 ( -12.055 13.445 12.660) 22.054 16.207 ( 6.100 -4.619 -8.425) 11.381 16.704 ( 11.473 -16.737 -3.930) 20.669 17.348 ( 1.948 7.165 8.254) 11.102 18.507 ( 0.662 -8.342 -8.852) 12.182 19.836 ( -1.812 0.538 1.503) 2.415 20.005 ( 0.687 -0.935 -1.512) 1.907 20.279 ( 0.971 0.408 1.753) 2.045 ======================= Grid point 545 (268/294) ======================= q-point: ( 0.50 0.67 0.25) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.378 ( -6.519 -1.296 -4.075) 7.797 2.567 ( 5.881 7.912 -4.727) 10.933 2.849 ( -5.602 3.548 -1.531) 6.805 3.119 ( 0.739 -7.372 -2.885) 7.951 3.411 ( 1.270 2.289 10.813) 11.126 4.127 ( 3.858 -6.188 1.842) 7.521 4.399 ( -7.562 -3.653 -0.147) 8.400 5.019 ( 6.009 6.983 7.686) 11.998 5.846 ( 2.511 -5.966 -2.979) 7.126 6.629 ( -10.856 22.958 -4.661) 25.819 8.113 ( 2.821 -2.721 0.243) 3.927 8.486 ( -5.205 1.611 -2.143) 5.855 8.972 ( 3.156 -7.115 0.309) 7.790 9.675 ( 4.876 -3.200 -0.900) 5.901 9.823 ( -5.268 -4.760 2.487) 7.523 10.172 ( 2.058 0.835 -2.021) 3.002 10.445 ( 6.195 -0.927 1.540) 6.451 10.920 ( -6.245 6.564 2.547) 9.411 12.339 ( -0.464 -1.104 5.158) 5.295 13.590 ( -4.068 7.883 -4.250) 9.836 14.304 ( 2.528 5.729 -8.657) 10.685 14.855 ( -2.557 6.624 2.995) 7.706 15.742 ( -12.686 15.681 14.953) 25.107 16.254 ( 10.334 -4.222 -9.716) 14.800 16.631 ( 5.782 -19.553 -7.839) 21.845 17.469 ( -1.718 6.165 6.620) 9.208 18.389 ( 1.519 -11.239 -3.337) 11.822 19.844 ( -0.223 1.911 2.497) 3.153 19.996 ( 0.365 -1.348 -0.932) 1.679 20.300 ( 0.075 0.344 0.836) 0.907 ======================= Grid point 546 (269/294) ======================= q-point: ( 0.58 0.67 0.25) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.234 ( -6.897 4.018 -7.189) 10.742 2.688 ( 5.034 4.108 -6.093) 8.908 2.816 ( -1.889 2.440 0.366) 3.108 3.024 ( -0.954 -10.063 0.700) 10.133 3.527 ( 2.116 2.700 10.306) 10.862 4.129 ( 0.759 -5.978 5.857) 8.403 4.190 ( -9.214 -5.769 -1.256) 10.944 5.282 ( 9.292 7.028 3.139) 12.066 5.843 ( 5.028 -2.773 -2.653) 6.326 6.626 ( -11.709 21.841 -3.319) 25.003 8.173 ( 6.375 -0.910 -0.747) 6.483 8.365 ( -4.984 -6.587 -0.233) 8.264 8.950 ( -0.117 -2.681 -0.588) 2.748 9.719 ( -4.572 2.789 -0.680) 5.398 9.742 ( 7.425 -8.251 1.066) 11.151 10.130 ( -0.857 -5.535 -3.503) 6.607 10.607 ( 7.980 5.380 2.296) 9.894 10.855 ( -10.406 4.197 4.696) 12.164 12.435 ( 7.703 1.910 4.558) 9.152 13.392 ( -17.745 2.748 -4.404) 18.488 14.437 ( 10.965 -1.815 -11.099) 15.707 14.956 ( 1.838 15.543 1.238) 15.700 15.784 ( -10.373 15.909 15.976) 24.818 16.326 ( 8.220 -4.560 -7.455) 11.997 16.459 ( 4.538 -20.545 -15.083) 25.888 17.461 ( -7.813 4.796 2.724) 9.564 18.344 ( 4.210 -8.849 5.281) 11.133 19.882 ( 0.299 2.465 2.460) 3.496 19.983 ( 0.063 -1.484 -0.052) 1.486 20.295 ( -0.802 -0.287 -0.490) 0.983 ======================= Grid point 548 (270/294) ======================= q-point: (-0.33 -0.33 -0.75) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.197 ( 0.772 7.271 -5.479) 9.137 2.699 ( -3.751 0.586 -3.440) 5.123 2.830 ( 4.155 -3.338 -5.491) 7.652 2.936 ( 0.997 -7.946 3.749) 8.843 3.631 ( -0.743 3.938 10.121) 10.886 4.030 ( -3.498 -2.180 -2.067) 4.611 4.111 ( -0.340 -5.778 7.043) 9.116 5.412 ( 1.156 2.449 -0.564) 2.766 5.884 ( 2.067 -3.132 -3.942) 5.443 6.691 ( -2.476 21.465 1.461) 21.656 8.160 ( -1.644 -10.790 -3.927) 11.600 8.349 ( 7.140 1.086 3.631) 8.083 8.903 ( -2.722 -1.394 -1.424) 3.373 9.626 ( -3.527 -5.218 0.172) 6.301 9.852 ( 7.266 2.506 -1.588) 7.848 10.043 ( -0.639 -5.562 -2.361) 6.076 10.717 ( -10.999 3.961 0.127) 11.691 10.805 ( 6.031 4.407 6.393) 9.832 12.612 ( 6.986 -1.039 3.948) 8.091 13.153 ( -10.179 6.594 -3.948) 12.754 14.437 ( 2.698 -7.592 -8.312) 11.576 15.133 ( 1.164 10.371 -3.215) 10.920 15.914 ( -0.897 14.200 14.714) 20.468 16.200 ( -4.798 -13.340 -12.270) 18.749 16.362 ( 8.481 -9.899 -11.034) 17.078 17.402 ( -4.749 7.439 -2.122) 9.077 18.399 ( 3.492 -4.939 12.706) 14.073 19.913 ( -0.911 2.250 1.387) 2.796 19.975 ( 0.315 -1.096 1.195) 1.652 20.267 ( -0.873 -1.076 -1.957) 2.398 ======================= Grid point 549 (271/294) ======================= q-point: (-0.25 -0.33 0.25) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.318 ( 7.818 5.769 -3.923) 10.479 2.561 ( -8.039 -2.735 -3.265) 9.098 2.785 ( 3.558 -9.547 -5.156) 11.419 2.979 ( 5.388 -0.708 1.549) 5.651 3.660 ( -7.783 3.629 10.864) 13.848 4.045 ( 6.255 3.301 -2.255) 7.423 4.103 ( 1.036 -4.057 5.963) 7.286 5.390 ( -1.464 -6.372 -0.577) 6.563 5.777 ( -10.202 3.492 -4.460) 11.669 6.946 ( 10.719 11.331 3.278) 15.939 8.009 ( -2.596 -7.844 -3.364) 8.921 8.504 ( 6.963 -0.677 3.330) 7.748 8.831 ( -2.529 -0.568 -2.621) 3.686 9.521 ( -4.231 -3.028 0.287) 5.210 9.939 ( 0.474 0.143 -3.513) 3.548 10.035 ( 6.354 0.074 -0.724) 6.395 10.563 ( -11.370 1.910 3.229) 11.973 10.984 ( 7.205 4.449 3.326) 9.098 12.582 ( -7.413 -3.687 1.286) 8.378 13.235 ( 10.267 8.335 -0.747) 13.245 14.332 ( -1.947 -6.510 -5.528) 8.760 15.096 ( -5.220 -3.945 -7.341) 9.833 15.918 ( -6.348 -10.463 -12.903) 17.784 16.127 ( 3.073 3.714 12.177) 13.097 16.358 ( 5.520 -0.205 -5.165) 7.562 17.447 ( 2.315 11.592 -7.536) 14.019 18.480 ( -0.472 -1.702 16.716) 16.809 19.906 ( -2.117 1.113 0.288) 2.409 19.988 ( 0.622 0.217 1.832) 1.947 20.232 ( 0.095 -1.724 -2.714) 3.217 ======================= Grid point 641 (272/294) ======================= q-point: ( 0.33 0.33 0.33) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( -0.000 0.000 20.444) 20.444 1.482 ( -0.000 0.000 20.444) 20.444 2.885 ( 0.000 -0.000 -3.584) 3.584 3.345 ( 0.000 -0.000 -17.182) 17.182 3.345 ( 0.000 -0.000 -17.182) 17.182 3.649 ( -0.000 0.000 42.810) 42.810 5.232 ( -0.000 0.000 4.042) 4.042 5.232 ( -0.000 0.000 4.042) 4.042 5.722 ( 0.000 -0.000 -12.094) 12.094 6.038 ( 0.000 -0.000 -9.283) 9.283 8.041 ( -0.000 0.000 2.002) 2.002 8.041 ( -0.000 0.000 2.002) 2.002 9.403 ( 0.000 0.000 0.047) 0.047 9.403 ( 0.000 0.000 0.047) 0.047 9.755 ( 0.000 0.000 0.187) 0.187 9.755 ( 0.000 -0.000 0.187) 0.187 11.028 ( -0.000 0.000 2.415) 2.415 11.572 ( 0.000 -0.000 -4.184) 4.184 12.475 ( -0.000 0.000 5.265) 5.265 12.475 ( -0.000 0.000 5.265) 5.265 13.042 ( 0.000 -0.000 -6.744) 6.744 13.042 ( 0.000 -0.000 -6.744) 6.744 16.095 ( -0.000 0.000 7.626) 7.626 16.095 ( -0.000 0.000 7.626) 7.626 16.950 ( -0.000 0.000 0.254) 0.254 18.250 ( -0.000 0.000 0.790) 0.790 19.742 ( -0.000 0.000 2.131) 2.131 19.802 ( 0.000 -0.000 -2.103) 2.103 19.802 ( 0.000 -0.000 -2.103) 2.103 20.135 ( 0.000 -0.000 -0.173) 0.173 ======================= Grid point 642 (273/294) ======================= q-point: ( 0.42 0.33 0.33) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( 8.398 -7.509 19.422) 22.453 2.019 ( 21.986 19.743 15.501) 33.368 2.801 ( -4.232 -3.331 -4.253) 6.863 3.077 ( -7.377 -2.697 -13.212) 15.370 3.432 ( 6.864 5.668 -17.097) 19.275 3.940 ( 4.243 3.953 37.774) 38.217 5.042 ( -12.606 -10.092 4.051) 16.649 5.284 ( -2.804 2.905 -0.091) 4.039 5.611 ( -3.837 -3.328 -15.559) 16.367 6.011 ( 3.911 0.311 -0.428) 3.947 7.989 ( -0.784 -1.961 3.726) 4.283 8.171 ( 6.091 3.481 -0.685) 7.049 9.337 ( -1.092 -1.651 1.787) 2.666 9.541 ( 4.380 2.934 -2.616) 5.885 9.777 ( 0.469 6.533 0.977) 6.622 9.835 ( 9.505 1.208 -1.417) 9.685 10.975 ( -5.584 -3.212 1.982) 6.739 11.367 ( -13.900 -8.005 -3.109) 16.339 12.490 ( -2.253 12.036 5.662) 13.491 12.733 ( 12.621 -0.130 0.788) 12.646 12.954 ( 13.412 -9.358 -2.364) 16.524 13.350 ( 18.754 22.215 -9.162) 30.483 16.016 ( -6.866 -11.359 6.170) 14.637 16.146 ( -2.184 6.304 6.272) 9.157 17.013 ( 4.891 2.692 1.286) 5.729 18.176 ( -7.746 -4.528 0.998) 9.028 19.368 ( -17.984 -14.044 0.817) 22.832 19.806 ( -0.510 3.048 -2.092) 3.732 20.049 ( 9.244 5.370 -0.282) 10.694 20.125 ( -0.582 -0.428 -0.366) 0.810 ======================= Grid point 643 (274/294) ======================= q-point: ( 0.50 0.33 0.33) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.753 ( 13.373 -4.747 14.757) 20.473 2.501 ( 7.132 2.277 7.226) 10.405 2.763 ( 4.407 0.250 9.143) 10.153 2.932 ( -0.326 8.675 -16.296) 18.464 3.475 ( 3.179 5.617 -16.794) 17.992 4.262 ( 6.012 6.320 27.471) 28.822 4.737 ( -14.810 -10.133 3.105) 18.211 5.162 ( -11.275 3.219 -4.278) 12.482 5.518 ( 7.062 -3.857 -8.480) 11.690 6.112 ( 5.237 0.023 2.225) 5.691 8.020 ( 2.326 0.395 4.885) 5.425 8.269 ( 4.661 1.047 -3.584) 5.972 9.370 ( 1.864 3.200 2.419) 4.424 9.500 ( -3.212 -6.887 -1.223) 7.697 9.896 ( 2.899 9.437 2.362) 10.151 10.026 ( 9.493 3.133 -4.501) 10.963 10.835 ( -7.165 -4.946 0.892) 8.752 11.039 ( -13.902 -6.336 -3.255) 15.621 12.628 ( -3.329 17.556 6.193) 18.912 12.754 ( 5.416 -8.751 -7.481) 12.723 13.375 ( 35.018 -2.102 7.464) 35.866 13.890 ( 22.832 28.108 -10.036) 37.578 15.767 ( -11.593 -12.218 3.052) 17.117 16.221 ( 0.126 5.535 5.703) 7.948 17.131 ( 4.339 2.617 2.279) 5.556 17.897 ( -18.980 -11.347 1.980) 22.201 18.988 ( -12.760 -11.589 -0.785) 17.255 19.820 ( 0.248 2.790 -2.035) 3.463 20.090 ( -1.470 -1.064 -0.475) 1.876 20.200 ( 3.984 3.250 0.087) 5.142 ======================= Grid point 644 (275/294) ======================= q-point: ( 0.58 0.33 0.33) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.961 ( 7.297 -2.517 8.958) 11.825 2.560 ( 4.217 -1.968 2.900) 5.483 2.780 ( -0.668 -2.722 3.261) 4.300 3.115 ( 6.624 6.168 0.035) 9.051 3.470 ( 0.420 9.794 -15.435) 18.285 4.414 ( -11.164 -2.534 -0.968) 11.489 4.444 ( -5.228 -8.665 8.668) 13.325 5.117 ( -1.030 12.643 4.777) 13.555 5.657 ( 17.890 -0.963 -6.258) 18.978 6.175 ( 1.136 -0.740 3.830) 4.063 8.114 ( 3.783 2.055 5.467) 6.958 8.317 ( 3.963 0.330 -4.938) 6.340 9.282 ( -11.239 -4.675 -1.737) 12.295 9.509 ( 6.970 -0.982 3.273) 7.763 10.038 ( 0.016 7.788 -0.375) 7.797 10.084 ( 0.809 -2.345 1.302) 2.801 10.672 ( -5.662 -7.031 0.569) 9.045 10.830 ( -5.157 2.617 -6.566) 8.749 12.685 ( 5.600 -9.730 -5.136) 12.346 12.815 ( -2.212 18.157 4.392) 18.811 14.014 ( 36.527 -0.800 10.450) 38.001 14.432 ( 16.280 24.639 -6.528) 30.244 15.515 ( -5.868 -6.720 -0.650) 8.945 16.302 ( 0.363 3.648 5.192) 6.356 17.194 ( -1.216 -4.026 1.383) 4.427 17.411 ( -24.222 -10.777 3.562) 26.749 18.733 ( -6.571 -7.692 -4.039) 10.893 19.844 ( 1.005 2.509 -1.885) 3.296 20.049 ( -1.627 -1.310 -0.792) 2.234 20.261 ( 0.775 1.550 0.776) 1.899 ======================= Grid point 645 (276/294) ======================= q-point: ( 0.67 0.33 0.33) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.068 ( 4.284 -0.339 5.775) 7.199 2.643 ( 2.570 1.757 3.342) 4.568 2.803 ( 3.725 -2.564 2.850) 5.345 3.111 ( -5.956 -3.920 -0.543) 7.151 3.554 ( 5.301 10.000 -10.370) 15.351 4.155 ( -12.015 -2.294 -0.279) 12.236 4.292 ( -6.846 -7.026 -3.001) 10.259 5.293 ( 5.311 6.607 3.429) 9.144 5.903 ( 8.225 -2.268 -1.415) 8.648 6.283 ( 12.009 8.975 3.106) 15.310 8.213 ( 2.040 0.173 5.216) 5.603 8.350 ( 2.449 0.423 -5.188) 5.753 9.031 ( -10.420 -6.344 -0.189) 12.201 9.623 ( 3.783 2.105 1.765) 4.675 9.928 ( -5.956 -6.728 -1.044) 9.046 10.119 ( -3.417 0.192 4.013) 5.274 10.612 ( 1.643 1.470 3.357) 4.017 10.796 ( 0.839 4.361 -10.511) 11.411 12.650 ( 5.425 -10.004 -5.423) 12.606 12.988 ( -1.141 17.512 5.567) 18.411 14.492 ( 9.669 -7.753 10.427) 16.197 14.779 ( 14.751 13.975 -0.057) 20.320 15.582 ( 14.036 9.891 -3.618) 17.548 16.338 ( -2.828 1.268 3.846) 4.939 16.749 ( -23.797 -22.158 3.666) 32.721 17.307 ( -1.550 6.327 2.877) 7.121 18.558 ( -3.652 -6.007 -7.931) 10.598 19.877 ( 1.508 2.184 -1.662) 3.131 20.008 ( -1.339 -1.145 -0.991) 2.021 20.274 ( -0.831 0.490 1.388) 1.691 ======================= Grid point 654 (277/294) ======================= q-point: ( 0.42 0.42 0.33) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( -14.494 11.846 18.437) 26.274 2.016 ( 11.125 21.733 11.373) 26.934 2.767 ( -0.430 -6.752 -3.816) 7.768 3.013 ( 0.741 -6.406 -10.452) 12.282 3.341 ( 1.012 9.456 -16.953) 19.439 4.135 ( 1.238 1.418 36.640) 36.688 5.141 ( -7.929 -10.982 2.502) 13.774 5.209 ( 9.603 -5.956 1.303) 11.375 5.504 ( -1.269 -5.078 -17.979) 18.726 6.030 ( -1.437 7.467 -1.016) 7.672 8.024 ( -1.184 -0.516 4.111) 4.309 8.144 ( 0.136 4.384 -0.844) 4.467 9.420 ( -5.732 2.368 0.566) 6.228 9.472 ( 6.191 4.522 -2.037) 7.932 9.736 ( 1.068 0.099 1.442) 1.797 9.860 ( -0.573 9.048 -1.183) 9.143 10.983 ( 0.023 -7.015 1.994) 7.293 11.343 ( -0.074 -16.739 -2.623) 16.944 12.479 ( 10.340 -0.811 4.759) 11.412 12.836 ( -8.165 18.010 8.164) 21.394 12.947 ( -14.167 10.863 -10.517) 20.720 13.257 ( 12.222 22.957 -7.296) 27.012 16.011 ( -3.368 -13.962 5.636) 15.429 16.219 ( 3.488 3.630 4.775) 6.938 17.013 ( -0.089 5.072 1.222) 5.218 18.187 ( -0.017 -7.827 0.621) 7.852 19.376 ( -2.762 -22.981 0.744) 23.158 19.778 ( 2.537 0.140 -1.232) 2.824 20.056 ( 0.010 11.300 -0.583) 11.315 20.122 ( -0.074 -0.964 -0.341) 1.025 ======================= Grid point 655 (278/294) ======================= q-point: ( 0.50 0.42 0.33) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( -2.382 11.198 18.115) 21.429 2.436 ( 7.668 5.565 1.566) 9.603 2.748 ( 7.048 5.212 5.428) 10.311 2.899 ( -2.226 -2.817 -8.203) 8.954 3.386 ( 4.200 9.439 -17.823) 20.601 4.367 ( 3.423 -0.808 26.258) 26.492 4.883 ( -12.108 -10.971 3.172) 16.644 5.243 ( -0.605 -1.927 -5.947) 6.281 5.351 ( 2.014 -3.669 -9.184) 10.092 6.094 ( 1.074 5.661 1.670) 6.000 8.039 ( 0.184 1.734 5.917) 6.169 8.201 ( 2.886 2.320 -3.238) 4.919 9.362 ( -0.628 -1.198 1.795) 2.248 9.571 ( -3.612 5.169 -1.754) 6.545 9.805 ( 8.931 -0.362 0.377) 8.946 9.990 ( 3.791 11.877 -2.396) 12.696 10.880 ( -4.519 -8.402 1.640) 9.680 11.099 ( -7.247 -14.893 -2.550) 16.757 12.645 ( -6.972 2.370 -6.541) 9.849 12.872 ( 26.353 -2.825 4.901) 26.953 13.035 ( -8.621 29.770 6.414) 31.650 13.761 ( 21.299 31.366 -9.393) 39.060 15.806 ( -7.468 -16.808 5.103) 19.087 16.299 ( 0.080 4.828 1.947) 5.206 17.105 ( 3.614 4.486 1.828) 6.044 18.018 ( -9.377 -14.085 0.967) 16.949 19.045 ( -10.605 -19.216 1.895) 22.030 19.809 ( 1.600 0.777 -2.118) 2.766 20.096 ( -0.967 -1.730 -0.164) 1.989 20.181 ( 3.299 6.602 -0.805) 7.425 ======================= Grid point 656 (279/294) ======================= q-point: ( 0.58 0.42 0.33) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.000 ( 1.551 10.546 16.164) 19.362 2.455 ( 3.416 -5.181 -0.500) 6.226 2.807 ( -2.494 -0.782 -2.120) 3.365 3.046 ( 9.736 6.083 4.561) 12.353 3.441 ( 3.526 9.648 -17.002) 19.864 4.444 ( -1.488 -8.070 7.575) 11.168 4.601 ( -13.493 -7.198 2.412) 15.482 5.168 ( 2.461 -3.373 -7.707) 8.765 5.461 ( 7.733 12.591 1.671) 14.870 6.172 ( 2.231 1.207 4.577) 5.233 8.125 ( 1.985 3.158 6.644) 7.620 8.239 ( 3.255 1.711 -4.668) 5.942 9.334 ( -2.389 -8.450 0.192) 8.784 9.522 ( -4.491 8.102 1.092) 9.327 9.972 ( 9.816 -1.000 -0.900) 9.908 10.102 ( 0.020 6.059 -1.307) 6.199 10.707 ( -7.108 -9.313 1.367) 11.795 10.881 ( -4.181 -4.205 -4.629) 7.523 12.516 ( -1.943 -2.772 -7.863) 8.561 13.149 ( -3.556 17.745 6.693) 19.296 13.495 ( 31.460 10.661 9.003) 34.416 14.357 ( 19.807 31.112 -8.627) 37.878 15.547 ( -7.811 -13.096 3.216) 15.584 16.348 ( 0.291 3.040 1.092) 3.243 17.186 ( 0.315 0.317 0.465) 0.645 17.639 ( -17.099 -17.855 2.801) 24.880 18.752 ( -8.146 -12.324 0.768) 14.793 19.828 ( 1.381 1.264 -2.537) 3.153 20.057 ( -1.435 -1.928 -0.177) 2.410 20.263 ( 1.662 3.020 -0.501) 3.483 ======================= Grid point 657 (280/294) ======================= q-point: ( 0.67 0.42 0.33) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.145 ( -3.203 8.349 10.490) 13.784 2.543 ( 9.728 -2.728 3.991) 10.863 2.783 ( 0.093 1.759 -1.315) 2.198 3.148 ( -1.529 -2.304 2.616) 3.807 3.498 ( 3.976 7.073 -13.477) 15.731 4.301 ( -5.893 -7.492 -3.939) 10.313 4.353 ( -12.641 -2.595 2.891) 13.225 5.186 ( 8.900 -5.412 -5.161) 11.624 5.759 ( 8.169 11.539 0.967) 14.171 6.281 ( 5.864 7.031 7.264) 11.687 8.175 ( 1.288 -2.265 1.499) 3.006 8.336 ( 3.787 6.722 0.069) 7.716 9.127 ( -9.988 -8.681 -0.823) 13.259 9.601 ( 2.939 5.646 2.242) 6.748 9.955 ( -5.379 -6.183 -4.102) 9.165 10.165 ( 1.642 -0.381 4.344) 4.659 10.560 ( -0.015 -5.973 0.881) 6.038 10.827 ( -1.126 6.346 -7.187) 9.654 12.447 ( 2.796 -5.052 -6.548) 8.730 13.285 ( -5.242 18.974 6.212) 20.642 14.140 ( 29.719 2.152 11.055) 31.781 14.762 ( 5.331 13.348 -4.462) 15.050 15.486 ( 7.443 9.123 -2.304) 11.997 16.365 ( 0.036 -2.631 2.111) 3.373 16.925 ( -20.155 -20.603 2.373) 28.920 17.416 ( -2.606 3.106 1.591) 4.355 18.538 ( -6.303 -8.938 -1.801) 11.084 19.852 ( 1.849 1.248 -2.616) 3.438 20.015 ( -1.430 -1.546 -0.042) 2.106 20.293 ( 0.055 1.179 -0.059) 1.181 ======================= Grid point 667 (281/294) ======================= q-point: ( 0.42 0.50 0.33) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( 7.509 21.440 11.131) 25.297 2.341 ( -24.735 10.894 1.325) 27.060 2.665 ( 1.419 -7.367 -2.701) 7.974 2.917 ( 2.614 0.450 2.933) 3.954 3.337 ( -2.279 5.503 -16.938) 17.955 4.324 ( -2.780 -2.565 29.052) 29.297 4.942 ( 14.827 -7.024 2.609) 16.613 5.055 ( 2.301 -15.156 -4.462) 15.966 5.473 ( -6.293 4.645 -10.140) 12.806 6.139 ( -2.026 8.072 -0.606) 8.344 8.054 ( 0.155 1.827 4.335) 4.707 8.220 ( -4.172 3.797 -3.593) 6.688 9.381 ( 4.341 0.406 0.916) 4.455 9.577 ( -7.137 2.331 -2.065) 7.787 9.740 ( 0.649 1.480 2.851) 3.277 9.997 ( -5.377 9.587 -1.841) 11.145 10.884 ( 3.906 -7.788 1.539) 8.847 11.090 ( 8.572 -15.896 -2.229) 18.197 12.408 ( -2.542 -6.130 5.653) 8.717 13.055 ( 12.203 23.292 -3.940) 26.588 13.342 ( -27.908 11.910 -8.626) 31.545 13.501 ( -13.939 30.862 2.684) 33.970 15.876 ( 5.687 -15.352 1.161) 16.412 16.229 ( 1.568 3.827 5.950) 7.246 17.102 ( -3.468 3.884 1.829) 5.519 18.022 ( 9.205 -13.440 0.593) 16.301 19.104 ( 9.344 -17.082 -1.308) 19.515 19.768 ( -1.106 -0.235 0.037) 1.131 20.098 ( 0.840 -1.449 -0.275) 1.698 20.172 ( -2.811 5.780 -0.121) 6.429 ======================= Grid point 668 (282/294) ======================= q-point: ( 0.50 0.50 0.33) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.116 ( -12.305 9.349 1.992) 15.582 2.413 ( 5.553 13.040 4.436) 14.851 2.657 ( 5.648 -0.482 -2.680) 6.270 2.946 ( -3.750 2.063 9.981) 10.860 3.313 ( 2.798 7.693 -17.444) 19.269 4.416 ( 1.421 -7.687 20.322) 21.773 4.882 ( -1.543 -16.427 -1.540) 16.571 5.139 ( 9.173 0.602 0.723) 9.221 5.331 ( -6.646 4.418 -7.137) 10.707 6.175 ( -2.034 7.031 -1.161) 7.410 8.097 ( -0.364 2.121 5.685) 6.079 8.192 ( -0.749 4.150 -4.208) 5.957 9.401 ( -5.250 -5.285 0.987) 7.514 9.525 ( 8.131 3.555 -2.751) 9.291 9.836 ( -2.881 6.497 3.927) 8.120 10.032 ( 1.163 10.912 -3.137) 11.414 10.839 ( -0.078 -9.673 1.830) 9.845 10.985 ( 0.082 -17.496 -1.376) 17.551 12.521 ( 15.646 -0.381 5.165) 16.481 12.912 ( -21.677 5.527 -8.360) 23.882 13.535 ( -3.994 37.455 4.828) 37.975 13.700 ( 10.637 31.023 -6.661) 33.465 15.745 ( -2.054 -18.478 3.634) 18.943 16.326 ( 1.779 4.170 0.617) 4.576 17.128 ( 0.431 4.381 2.273) 4.954 17.946 ( -0.403 -18.697 -0.627) 18.712 18.967 ( -1.859 -20.239 0.787) 20.340 19.783 ( 1.310 1.153 -0.032) 1.746 20.085 ( -0.132 -2.200 -0.187) 2.212 20.209 ( 0.324 5.717 -0.607) 5.758 ======================= Grid point 669 (283/294) ======================= q-point: ( 0.58 0.50 0.33) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.149 ( 3.929 6.298 4.708) 8.791 2.461 ( -7.471 3.601 6.912) 10.796 2.769 ( 4.745 3.070 -9.497) 11.051 3.032 ( 2.708 4.585 14.168) 15.135 3.350 ( 4.847 6.172 -16.435) 18.212 4.409 ( -0.696 -11.999 7.917) 14.392 4.687 ( -4.596 -13.424 1.321) 14.250 5.087 ( -5.962 2.846 -13.274) 14.827 5.506 ( 9.702 15.253 8.057) 19.791 6.190 ( -0.839 1.881 1.407) 2.495 8.172 ( 1.588 4.051 6.971) 8.217 8.201 ( 0.617 3.031 -4.990) 5.871 9.295 ( -2.062 -6.964 0.834) 7.311 9.657 ( 2.577 2.842 -0.899) 3.940 9.848 ( 0.184 5.780 0.281) 5.790 10.134 ( 0.868 4.999 -2.489) 5.651 10.724 ( -4.923 -10.551 2.977) 12.018 10.825 ( 0.460 -8.873 -2.874) 9.338 12.619 ( -14.125 4.150 -8.513) 17.006 12.908 ( 25.940 0.010 5.652) 26.549 13.748 ( -9.678 34.295 8.756) 36.694 14.277 ( 21.173 33.653 -9.817) 40.954 15.540 ( -4.863 -15.844 5.151) 17.356 16.364 ( -0.038 2.301 -2.566) 3.447 17.199 ( 0.989 3.350 1.054) 3.649 17.651 ( -8.642 -25.003 -0.823) 26.467 18.751 ( -5.024 -14.396 3.411) 15.624 19.809 ( 0.807 1.472 -1.342) 2.149 20.055 ( -0.796 -2.344 0.143) 2.479 20.262 ( 1.280 3.086 -0.953) 3.474 ======================= Grid point 670 (284/294) ======================= q-point: ( 0.67 0.50 0.33) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.356 ( 11.337 1.878 5.518) 12.748 2.405 ( -8.293 5.418 6.332) 11.757 2.796 ( 0.211 4.334 -2.470) 4.993 3.160 ( 0.948 -0.748 7.621) 7.716 3.395 ( 5.168 4.001 -14.639) 16.032 4.279 ( -3.623 -11.519 0.952) 12.113 4.511 ( -6.395 -6.212 1.861) 9.108 4.990 ( 0.856 1.737 -11.811) 11.968 5.824 ( 3.032 13.794 3.528) 14.557 6.263 ( 7.617 4.978 6.333) 11.086 8.166 ( -1.874 -1.102 -1.205) 2.486 8.337 ( 5.667 8.084 3.362) 10.429 9.165 ( -5.519 -9.727 -0.172) 11.185 9.670 ( -2.211 3.609 1.820) 4.608 9.931 ( 0.975 1.563 -4.579) 4.936 10.123 ( 1.512 -2.908 0.475) 3.312 10.546 ( -5.304 -9.242 2.033) 10.848 10.826 ( 3.290 3.567 -3.486) 5.975 12.432 ( -7.217 2.086 -7.273) 10.456 13.332 ( 19.464 0.649 5.561) 20.253 14.020 ( 2.290 25.973 8.794) 27.517 14.753 ( 9.047 16.097 -7.877) 20.075 15.462 ( 4.489 5.054 3.066) 7.423 16.336 ( -1.113 -4.048 -2.006) 4.653 17.049 ( -16.053 -16.939 0.141) 23.338 17.410 ( 3.084 -4.875 -1.043) 5.862 18.570 ( -6.692 -9.451 4.175) 12.310 19.825 ( 0.876 1.496 -2.265) 2.852 20.021 ( -1.018 -1.886 0.622) 2.232 20.292 ( 0.787 1.017 -1.057) 1.665 ======================= Grid point 680 (285/294) ======================= q-point: ( 0.42 0.58 0.33) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.147 ( 6.034 13.720 3.804) 15.464 2.591 ( -1.163 -4.710 -0.522) 4.880 2.702 ( -11.904 3.667 -8.100) 14.858 3.045 ( -6.378 8.538 15.561) 18.860 3.304 ( -0.222 0.228 -13.723) 13.727 4.432 ( 1.996 -7.506 6.410) 10.070 4.671 ( 14.073 -4.415 5.527) 15.751 4.905 ( -6.083 -9.885 4.323) 12.386 5.639 ( -8.775 13.784 -7.322) 17.906 6.208 ( 0.288 3.763 -0.614) 3.823 8.116 ( -2.036 2.472 4.914) 5.866 8.282 ( -2.681 3.771 -5.943) 7.532 9.304 ( 4.026 -5.600 -0.290) 6.903 9.639 ( 3.422 7.333 1.594) 8.247 9.837 ( -10.376 -1.654 1.192) 10.575 10.116 ( -0.831 3.169 -0.225) 3.284 10.770 ( 2.392 -4.138 -1.115) 4.908 10.797 ( 9.597 -10.296 -1.034) 14.113 12.485 ( -10.472 -9.369 7.073) 15.731 13.013 ( 13.524 22.076 -6.658) 26.731 13.893 ( -31.654 9.086 -7.388) 33.751 14.122 ( -18.069 34.043 7.559) 39.276 15.607 ( 9.300 -10.896 -2.636) 14.566 16.292 ( -1.126 1.585 5.869) 6.183 17.190 ( -3.030 0.725 1.964) 3.683 17.634 ( 19.836 -18.383 0.967) 27.062 18.813 ( 8.489 -9.776 -3.869) 13.513 19.795 ( -2.065 -0.029 0.336) 2.092 20.062 ( 1.434 -1.557 -0.649) 2.214 20.248 ( -1.622 2.253 0.825) 2.896 ======================= Grid point 681 (286/294) ======================= q-point: ( 0.50 0.58 0.33) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.273 ( -9.618 2.735 -15.914) 18.795 2.451 ( 7.892 5.788 0.711) 9.813 2.673 ( -3.897 3.803 8.294) 9.922 3.139 ( -3.113 6.678 13.378) 15.272 3.260 ( -0.653 5.413 -10.930) 12.215 4.411 ( -0.033 -10.088 10.156) 14.315 4.681 ( 2.374 -15.931 -5.508) 17.023 5.000 ( 12.294 3.460 10.689) 16.654 5.539 ( -12.301 11.847 -6.434) 18.250 6.242 ( -0.368 5.030 -3.562) 6.175 8.148 ( -0.077 1.844 4.881) 5.219 8.241 ( -2.857 5.267 -5.927) 8.429 9.326 ( 4.543 -8.020 1.045) 9.277 9.558 ( -7.684 1.763 -2.943) 8.415 9.905 ( 4.210 6.241 5.582) 9.372 10.125 ( -1.835 6.156 -2.671) 6.956 10.732 ( 3.161 -10.291 -1.234) 10.836 10.816 ( 1.876 -8.921 2.551) 9.466 12.396 ( 2.540 -2.372 6.233) 7.136 13.261 ( -13.612 5.883 -6.100) 16.034 13.665 ( 4.587 33.345 -11.319) 35.511 14.210 ( -16.626 33.701 8.633) 38.558 15.575 ( 3.436 -14.986 -0.241) 15.376 16.345 ( 1.106 3.230 1.641) 3.788 17.170 ( -0.502 -0.612 2.213) 2.350 17.678 ( 8.269 -21.219 -1.823) 22.846 18.774 ( 3.644 -14.887 -1.741) 15.425 19.791 ( -0.096 1.437 1.741) 2.260 20.058 ( 0.654 -2.189 -0.356) 2.312 20.256 ( -0.928 3.041 0.274) 3.191 ======================= Grid point 682 (287/294) ======================= q-point: ( 0.58 0.58 0.33) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.110 ( -0.596 1.014 -8.564) 8.645 2.627 ( 3.484 2.542 -4.751) 6.417 2.708 ( 0.132 6.603 7.752) 10.183 3.194 ( -2.865 0.876 11.254) 11.646 3.261 ( -0.985 9.423 -7.962) 12.376 4.345 ( -1.254 -12.816 7.570) 14.938 4.542 ( 2.278 -15.227 -3.870) 15.875 5.203 ( -2.859 5.947 -3.671) 7.551 5.551 ( 4.733 18.149 4.916) 19.389 6.235 ( -2.350 1.997 -3.135) 4.398 8.198 ( 1.525 3.525 -1.030) 3.976 8.236 ( -1.461 4.439 1.156) 4.815 9.254 ( -1.183 -11.459 1.589) 11.629 9.565 ( 4.529 4.606 -3.362) 7.282 9.977 ( -2.519 1.041 4.709) 5.441 10.156 ( -0.506 5.660 -5.063) 7.611 10.693 ( 3.842 -7.496 -1.749) 8.603 10.727 ( -4.434 -7.446 5.424) 10.224 12.583 ( 15.780 0.323 5.879) 16.842 12.932 ( -20.653 6.660 -8.261) 23.219 14.194 ( 19.895 33.053 -10.984) 40.112 14.308 ( -13.846 30.796 7.956) 34.690 15.471 ( -0.606 -11.832 4.143) 12.551 16.375 ( -0.620 2.256 -3.134) 3.911 17.194 ( 3.978 -2.420 1.183) 4.804 17.478 ( -3.866 -24.861 -3.954) 25.468 18.675 ( 0.644 -12.730 2.970) 13.087 19.819 ( 0.020 2.030 1.066) 2.293 20.040 ( -0.047 -2.357 0.198) 2.365 20.272 ( -0.107 1.951 -0.616) 2.049 ======================= Grid point 684 (288/294) ======================= q-point: (-0.33 -0.42 -0.67) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.177 ( 9.959 1.004 -1.925) 10.193 2.597 ( -5.201 1.494 -0.173) 5.414 2.832 ( 2.541 6.038 1.176) 6.656 3.188 ( 0.098 -6.445 4.298) 7.747 3.326 ( -0.455 12.352 -2.734) 12.659 4.217 ( -2.195 -13.402 2.955) 13.899 4.434 ( 1.936 -12.295 -0.273) 12.449 5.109 ( -9.971 11.571 -8.825) 17.641 5.899 ( 6.052 12.560 3.531) 14.382 6.227 ( 4.417 5.117 2.169) 7.099 8.194 ( -2.692 1.579 -3.724) 4.859 8.339 ( 5.086 5.883 4.929) 9.208 9.129 ( -2.186 -11.372 0.533) 11.592 9.654 ( 3.683 -0.636 -1.690) 4.102 9.977 ( -0.319 4.119 1.134) 4.284 10.097 ( -4.244 -2.826 -4.707) 6.940 10.568 ( -6.045 -7.968 2.997) 10.441 10.771 ( 5.366 3.357 0.961) 6.402 12.610 ( -14.138 3.477 -6.204) 15.825 12.991 ( 21.725 2.652 4.563) 22.357 14.403 ( -10.122 23.188 5.373) 25.865 14.676 ( 12.955 16.927 -10.953) 23.965 15.470 ( 3.737 6.871 6.071) 9.901 16.323 ( -3.394 -2.724 -3.936) 5.868 17.083 ( -8.949 -27.987 -2.980) 29.533 17.263 ( 4.899 0.886 -2.352) 5.506 18.595 ( -2.210 -8.388 7.042) 11.173 19.834 ( -0.756 2.162 -0.418) 2.329 20.019 ( -0.362 -1.950 0.965) 2.206 20.280 ( 0.464 0.347 -1.442) 1.554 ======================= Grid point 805 (289/294) ======================= q-point: ( 0.42 0.42 0.42) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 292 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( -0.000 0.000 14.826) 14.826 1.785 ( -0.000 0.000 14.826) 14.826 2.816 ( 0.000 -0.000 -3.513) 3.513 3.083 ( 0.000 -0.000 -13.261) 13.261 3.083 ( 0.000 -0.000 -13.261) 13.261 4.337 ( -0.000 0.000 38.596) 38.596 5.284 ( -0.000 0.000 2.134) 2.134 5.284 ( -0.000 0.000 2.134) 2.134 5.420 ( 0.000 -0.000 -23.443) 23.443 5.939 ( 0.000 -0.000 -3.070) 3.070 8.075 ( -0.000 0.000 1.710) 1.710 8.075 ( -0.000 0.000 1.710) 1.710 9.400 ( 0.000 0.000 -0.263) 0.263 9.400 ( 0.000 0.000 -0.263) 0.263 9.757 ( 0.000 0.000 0.042) 0.042 9.757 ( 0.000 0.000 0.042) 0.042 11.063 ( -0.000 0.000 1.605) 1.605 11.513 ( 0.000 -0.000 -2.656) 2.656 12.579 ( -0.000 0.000 6.935) 6.935 12.579 ( -0.000 0.000 6.935) 6.935 12.916 ( 0.000 -0.000 -7.942) 7.942 12.916 ( 0.000 -0.000 -7.942) 7.942 16.199 ( -0.000 0.000 4.487) 4.487 16.199 ( -0.000 0.000 4.487) 4.487 16.953 ( -0.000 0.000 0.127) 0.127 18.261 ( -0.000 0.000 0.462) 0.462 19.771 ( -0.000 0.000 1.218) 1.218 19.773 ( 0.000 -0.000 -1.258) 1.258 19.773 ( 0.000 -0.000 -1.258) 1.258 20.132 ( 0.000 -0.000 -0.081) 0.081 ======================= Grid point 806 (290/294) ======================= q-point: ( 0.50 0.42 0.42) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( 5.883 -5.059 16.355) 18.102 2.181 ( 18.235 17.331 1.615) 25.209 2.745 ( -3.671 -1.927 -2.373) 4.777 2.932 ( -2.693 -2.077 -0.715) 3.475 3.151 ( 6.325 4.462 -15.595) 17.410 4.534 ( -1.026 0.266 31.465) 31.483 5.081 ( -12.525 -8.284 -1.264) 15.070 5.236 ( -6.847 -1.053 -8.768) 11.174 5.345 ( 2.758 -0.107 -10.383) 10.743 6.009 ( 6.556 2.862 0.123) 7.154 8.056 ( -0.093 -0.498 4.068) 4.099 8.146 ( 3.669 1.953 -2.332) 4.766 9.374 ( 0.041 -0.380 2.514) 2.543 9.497 ( 4.355 2.344 -2.653) 5.612 9.784 ( 0.727 6.345 -0.682) 6.423 9.820 ( 7.951 -0.186 0.253) 7.957 11.002 ( -5.840 -3.371 1.110) 6.834 11.324 ( -13.823 -7.936 -1.828) 16.044 12.609 ( -2.679 13.070 8.486) 15.812 12.686 ( 2.947 -7.168 -5.812) 9.688 12.979 ( 24.218 -4.709 4.443) 25.069 13.194 ( 17.060 22.858 -9.018) 29.914 16.085 ( -10.194 -8.865 1.882) 13.640 16.231 ( 0.141 3.136 3.747) 4.888 17.029 ( 5.707 3.240 0.513) 6.583 18.189 ( -7.261 -4.173 0.531) 8.391 19.379 ( -18.860 -12.539 0.443) 22.652 19.778 ( 0.065 1.599 -1.248) 2.029 20.046 ( 9.633 5.507 0.001) 11.096 20.120 ( -1.002 -0.630 -0.187) 1.198 ======================= Grid point 807 (291/294) ======================= q-point: ( 0.58 0.42 0.42) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.994 ( 6.199 -0.798 13.126) 14.538 2.525 ( 10.936 1.041 -3.237) 11.452 2.684 ( -1.942 6.651 -10.141) 12.282 3.009 ( 7.127 2.990 16.500) 18.221 3.196 ( 4.438 4.752 -15.702) 16.996 4.579 ( -7.216 -3.608 4.827) 9.401 4.803 ( -12.320 -9.986 6.811) 17.259 5.104 ( -4.197 7.091 -0.733) 8.272 5.365 ( 8.494 -2.157 -8.254) 12.039 6.148 ( 5.307 2.720 2.000) 6.290 8.108 ( 2.220 1.800 5.356) 6.071 8.193 ( 3.327 0.746 -5.254) 6.263 9.405 ( -3.823 4.387 1.087) 5.920 9.492 ( 3.407 -8.138 0.708) 8.851 9.901 ( 2.775 11.285 -2.926) 11.984 9.988 ( 10.525 0.525 1.251) 10.612 10.850 ( -7.721 -5.000 0.510) 9.213 10.990 ( -14.959 -7.603 -2.043) 16.905 12.622 ( 6.971 -13.735 -6.740) 16.813 12.764 ( -5.524 22.040 8.530) 24.269 13.505 ( 38.422 -1.829 7.447) 39.180 13.728 ( 22.310 29.157 -8.634) 37.715 15.784 ( -14.745 -9.801 -0.842) 17.725 16.300 ( 2.191 2.641 3.485) 4.891 17.150 ( 4.643 2.516 -0.156) 5.284 17.928 ( -17.879 -10.123 1.560) 20.605 18.977 ( -15.891 -10.447 -0.533) 19.025 19.792 ( 0.940 1.274 -1.182) 1.976 20.085 ( -1.842 -1.111 -0.149) 2.156 20.202 ( 4.730 2.950 0.212) 5.579 ======================= Grid point 819 (292/294) ======================= q-point: ( 0.50 0.50 0.42) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.973 ( -9.628 7.096 5.465) 13.150 2.108 ( 9.104 17.866 3.237) 20.312 2.729 ( 0.103 -5.141 -0.652) 5.183 2.959 ( -1.100 1.320 5.223) 5.499 3.069 ( 1.014 6.701 -14.289) 15.815 4.676 ( 0.445 -6.206 24.515) 25.292 5.109 ( 1.396 -1.431 -17.528) 17.642 5.163 ( -1.964 -12.770 0.003) 12.920 5.286 ( 0.624 -0.948 -0.563) 1.267 6.015 ( -0.454 8.401 -0.688) 8.442 8.093 ( -0.531 1.344 3.858) 4.119 8.115 ( 0.269 1.919 -2.671) 3.300 9.416 ( -2.880 1.161 -2.081) 3.738 9.459 ( 3.299 4.797 1.460) 6.003 9.761 ( -0.296 1.884 1.602) 2.490 9.838 ( 0.128 7.639 -1.393) 7.766 11.007 ( 0.013 -6.834 0.664) 6.866 11.313 ( -0.055 -16.292 -0.694) 16.307 12.576 ( 9.562 -2.211 6.640) 11.849 12.767 ( -14.392 4.792 -10.221) 18.290 12.982 ( 0.605 21.677 7.241) 22.863 13.140 ( 4.321 24.400 -5.248) 25.329 16.080 ( -1.047 -14.165 2.368) 14.399 16.262 ( 1.071 2.653 0.280) 2.875 17.029 ( -0.013 6.306 0.569) 6.332 18.193 ( 0.002 -7.985 0.091) 7.985 19.383 ( -0.737 -22.627 0.029) 22.639 19.767 ( 0.706 0.509 -0.006) 0.870 20.049 ( -0.031 11.346 -0.312) 11.350 20.119 ( -0.021 -1.349 -0.066) 1.351 ======================= Grid point 820 (293/294) ======================= q-point: ( 0.58 0.50 0.42) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.060 ( 4.219 6.894 12.364) 14.771 2.372 ( 4.887 11.173 -6.605) 13.869 2.681 ( 0.225 -1.286 -4.900) 5.071 3.040 ( 3.896 2.768 11.822) 12.752 3.108 ( 3.179 8.643 -10.985) 14.335 4.633 ( -5.095 -8.739 -1.051) 10.170 4.945 ( -11.252 -10.373 5.834) 16.378 5.034 ( 3.547 -5.936 -10.932) 12.936 5.339 ( 1.897 7.045 4.586) 8.617 6.121 ( 3.803 5.955 1.449) 7.213 8.120 ( 1.959 1.895 -0.632) 2.798 8.152 ( 0.739 2.782 1.630) 3.308 9.386 ( 1.106 -2.897 0.641) 3.167 9.557 ( -2.862 7.010 0.171) 7.574 9.787 ( 5.983 0.324 -2.367) 6.442 9.974 ( 4.188 10.164 0.563) 11.008 10.897 ( -4.604 -7.722 0.145) 8.991 11.072 ( -8.545 -15.462 -0.332) 17.669 12.521 ( -8.005 -0.095 -7.589) 11.030 12.965 ( 29.384 -1.352 6.054) 30.031 13.178 ( -8.870 30.033 9.871) 32.835 13.608 ( 21.320 30.502 -8.529) 38.179 15.867 ( -8.811 -15.266 2.162) 17.759 16.298 ( 1.636 2.678 -2.109) 3.781 17.120 ( 2.848 5.177 -0.110) 5.910 18.027 ( -8.136 -14.321 0.058) 16.470 19.077 ( -10.565 -18.186 1.863) 21.115 19.779 ( 0.493 0.882 -1.317) 1.660 20.095 ( -1.005 -1.771 0.084) 2.038 20.172 ( 3.538 6.107 -0.232) 7.062 ======================= Grid point 976 (294/294) ======================= q-point: (-0.50 -0.50 -0.50) 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 5.87e-04 5.87e-04 2.72e-04 2.72e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.922 ( -0.000 0.000 0.000) 0.000 1.922 ( -0.000 0.000 0.000) 0.000 2.785 ( -0.000 0.000 0.000) 0.000 2.958 ( -0.000 0.000 0.000) 0.000 2.958 ( -0.000 0.000 0.000) 0.000 4.848 ( -0.000 0.000 0.000) 0.000 5.034 ( 0.000 -0.000 -0.000) 0.000 5.302 ( -0.000 0.000 0.000) 0.000 5.302 ( -0.000 0.000 0.000) 0.000 5.916 ( -0.000 0.000 0.000) 0.000 8.090 ( -0.000 0.000 0.000) 0.000 8.090 ( -0.000 0.000 0.000) 0.000 9.397 ( -0.000 0.000 0.000) 0.000 9.397 ( -0.000 0.000 0.000) 0.000 9.757 ( -0.000 0.000 0.000) 0.000 9.757 ( -0.000 0.000 0.000) 0.000 11.077 ( -0.000 0.000 0.000) 0.000 11.490 ( -0.000 0.000 0.000) 0.000 12.665 ( -0.000 0.000 0.000) 0.000 12.665 ( -0.000 0.000 0.000) 0.000 12.822 ( -0.000 0.000 0.000) 0.000 12.822 ( -0.000 0.000 0.000) 0.000 16.237 ( -0.000 0.000 0.000) 0.000 16.237 ( -0.000 0.000 0.000) 0.000 16.954 ( -0.000 0.000 0.000) 0.000 18.265 ( -0.000 0.000 0.000) 0.000 19.763 ( -0.000 0.000 0.000) 0.000 19.763 ( -0.000 0.000 0.000) 0.000 19.781 ( -0.000 0.000 0.000) 0.000 20.132 ( -0.000 0.000 0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/51840 10.0 1034.377 1034.377 1351.918 0.000 -0.000 0.000 3/51840 20.0 447.759 447.759 382.963 0.000 -0.000 0.000 3/51840 30.0 196.602 196.602 161.302 0.000 -0.000 0.000 3/51840 40.0 113.652 113.652 92.578 0.000 -0.000 0.000 3/51840 50.0 78.314 78.314 63.522 0.000 -0.000 0.000 3/51840 60.0 59.507 59.507 48.015 0.000 -0.000 0.000 3/51840 70.0 47.875 47.875 38.397 0.000 -0.000 0.000 3/51840 80.0 39.942 39.942 31.841 0.000 -0.000 0.000 3/51840 90.0 34.170 34.170 27.089 0.000 -0.000 0.000 3/51840 100.0 29.780 29.780 23.496 0.000 -0.000 0.000 3/51840 110.0 26.331 26.331 20.693 0.000 -0.000 0.000 3/51840 120.0 23.557 23.557 18.454 0.000 -0.000 0.000 3/51840 130.0 21.283 21.283 16.630 0.000 -0.000 0.000 3/51840 140.0 19.389 19.389 15.120 0.000 -0.000 0.000 3/51840 150.0 17.791 17.791 13.852 0.000 -0.000 0.000 3/51840 160.0 16.428 16.428 12.776 0.000 -0.000 0.000 3/51840 170.0 15.254 15.254 11.852 0.000 -0.000 0.000 3/51840 180.0 14.233 14.233 11.051 0.000 -0.000 0.000 3/51840 190.0 13.339 13.339 10.351 0.000 -0.000 0.000 3/51840 200.0 12.550 12.550 9.735 0.000 -0.000 0.000 3/51840 210.0 11.848 11.848 9.188 0.000 -0.000 0.000 3/51840 220.0 11.222 11.222 8.700 0.000 -0.000 0.000 3/51840 230.0 10.658 10.658 8.262 0.000 -0.000 0.000 3/51840 240.0 10.149 10.149 7.867 0.000 -0.000 0.000 3/51840 250.0 9.688 9.688 7.509 0.000 -0.000 0.000 3/51840 260.0 9.267 9.267 7.182 0.000 -0.000 0.000 3/51840 270.0 8.881 8.881 6.884 0.000 -0.000 0.000 3/51840 280.0 8.527 8.527 6.609 0.000 -0.000 0.000 3/51840 290.0 8.201 8.201 6.357 0.000 -0.000 0.000 3/51840 300.0 7.899 7.899 6.123 0.000 -0.000 0.000 3/51840 310.0 7.620 7.620 5.906 0.000 -0.000 0.000 3/51840 320.0 7.360 7.360 5.705 0.000 -0.000 0.000 3/51840 330.0 7.117 7.117 5.517 0.000 -0.000 0.000 3/51840 340.0 6.890 6.890 5.342 0.000 -0.000 0.000 3/51840 350.0 6.678 6.678 5.177 0.000 -0.000 0.000 3/51840 360.0 6.478 6.478 5.023 0.000 -0.000 0.000 3/51840 370.0 6.291 6.291 4.878 0.000 -0.000 0.000 3/51840 380.0 6.114 6.114 4.741 0.000 -0.000 0.000 3/51840 390.0 5.947 5.947 4.612 0.000 -0.000 0.000 3/51840 400.0 5.789 5.789 4.490 0.000 -0.000 0.000 3/51840 410.0 5.640 5.640 4.374 0.000 -0.000 0.000 3/51840 420.0 5.498 5.498 4.264 0.000 -0.000 0.000 3/51840 430.0 5.363 5.363 4.160 0.000 -0.000 0.000 3/51840 440.0 5.235 5.235 4.061 0.000 -0.000 0.000 3/51840 450.0 5.113 5.113 3.966 0.000 -0.000 0.000 3/51840 460.0 4.997 4.997 3.876 0.000 -0.000 0.000 3/51840 470.0 4.886 4.886 3.790 0.000 -0.000 0.000 3/51840 480.0 4.780 4.780 3.708 0.000 -0.000 0.000 3/51840 490.0 4.678 4.678 3.629 0.000 -0.000 0.000 3/51840 500.0 4.581 4.581 3.554 0.000 -0.000 0.000 3/51840 510.0 4.488 4.488 3.482 0.000 -0.000 0.000 3/51840 520.0 4.398 4.398 3.413 0.000 -0.000 0.000 3/51840 530.0 4.312 4.312 3.346 0.000 -0.000 0.000 3/51840 540.0 4.230 4.230 3.282 0.000 -0.000 0.000 3/51840 550.0 4.151 4.151 3.221 0.000 -0.000 0.000 3/51840 560.0 4.074 4.074 3.161 0.000 -0.000 0.000 3/51840 570.0 4.001 4.001 3.104 0.000 -0.000 0.000 3/51840 580.0 3.930 3.930 3.049 0.000 -0.000 0.000 3/51840 590.0 3.861 3.861 2.996 0.000 -0.000 0.000 3/51840 600.0 3.795 3.795 2.945 0.000 -0.000 0.000 3/51840 610.0 3.731 3.731 2.896 0.000 -0.000 0.000 3/51840 620.0 3.670 3.670 2.848 0.000 -0.000 0.000 3/51840 630.0 3.610 3.610 2.802 0.000 -0.000 0.000 3/51840 640.0 3.552 3.552 2.757 0.000 -0.000 0.000 3/51840 650.0 3.496 3.496 2.714 0.000 -0.000 0.000 3/51840 660.0 3.442 3.442 2.672 0.000 -0.000 0.000 3/51840 670.0 3.390 3.390 2.631 0.000 -0.000 0.000 3/51840 680.0 3.339 3.339 2.592 0.000 -0.000 0.000 3/51840 690.0 3.290 3.290 2.553 0.000 -0.000 0.000 3/51840 700.0 3.242 3.242 2.516 0.000 -0.000 0.000 3/51840 710.0 3.195 3.195 2.480 0.000 -0.000 0.000 3/51840 720.0 3.150 3.150 2.445 0.000 -0.000 0.000 3/51840 730.0 3.106 3.106 2.411 0.000 -0.000 0.000 3/51840 740.0 3.064 3.064 2.378 0.000 -0.000 0.000 3/51840 750.0 3.022 3.022 2.346 0.000 -0.000 0.000 3/51840 760.0 2.982 2.982 2.314 0.000 -0.000 0.000 3/51840 770.0 2.942 2.942 2.284 0.000 -0.000 0.000 3/51840 780.0 2.904 2.904 2.254 0.000 -0.000 0.000 3/51840 790.0 2.867 2.867 2.225 0.000 -0.000 0.000 3/51840 800.0 2.830 2.830 2.197 0.000 -0.000 0.000 3/51840 810.0 2.795 2.795 2.170 0.000 -0.000 0.000 3/51840 820.0 2.761 2.761 2.143 0.000 -0.000 0.000 3/51840 830.0 2.727 2.727 2.117 0.000 -0.000 0.000 3/51840 840.0 2.694 2.694 2.091 0.000 -0.000 0.000 3/51840 850.0 2.662 2.662 2.066 0.000 -0.000 0.000 3/51840 860.0 2.631 2.631 2.042 0.000 -0.000 0.000 3/51840 870.0 2.600 2.600 2.018 0.000 -0.000 0.000 3/51840 880.0 2.570 2.570 1.995 0.000 -0.000 0.000 3/51840 890.0 2.541 2.541 1.973 0.000 -0.000 0.000 3/51840 900.0 2.512 2.512 1.950 0.000 -0.000 0.000 3/51840 910.0 2.485 2.485 1.929 0.000 -0.000 0.000 3/51840 920.0 2.457 2.457 1.908 0.000 -0.000 0.000 3/51840 930.0 2.431 2.431 1.887 0.000 -0.000 0.000 3/51840 940.0 2.405 2.405 1.867 0.000 -0.000 0.000 3/51840 950.0 2.379 2.379 1.847 0.000 -0.000 0.000 3/51840 960.0 2.354 2.354 1.828 0.000 -0.000 0.000 3/51840 970.0 2.330 2.330 1.809 0.000 -0.000 0.000 3/51840 980.0 2.306 2.306 1.790 0.000 -0.000 0.000 3/51840 990.0 2.282 2.282 1.772 0.000 -0.000 0.000 3/51840 1000.0 2.259 2.259 1.754 0.000 -0.000 0.000 3/51840 Thermal conductivity related properties were written into "kappa-m121212.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:52:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|