----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 14:25:33]------------------------- Compiled with OpenMP support (max 48 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2/c (13) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.804175270215747 0.000000000000000 0.000000000000000 b 0.000000000000000 5.678606140000000 0.000000000000000 c -0.127446487328642 0.000000000000000 5.101449882396694 Atomic positions (fractional): *1 Sc 0.50000000000000 0.67667750428089 0.25000000000000 44.956 2 Sc 0.50000000000000 0.32332249571911 0.75000000000000 44.956 *3 Ta 0.00000000000000 0.17724593817059 0.25000000000000 180.948 4 Ta 0.00000000000000 0.82275406182941 0.75000000000000 180.948 *5 O 0.21780543912315 0.89342367919531 0.43448987402262 15.999 *6 O 0.26521840552764 0.38514820509369 0.40592297506197 15.999 7 O 0.78219456087685 0.89342367919531 0.06551012597738 15.999 8 O 0.73478159447236 0.61485179490631 0.59407702493803 15.999 9 O 0.73478159447236 0.38514820509369 0.09407702493803 15.999 10 O 0.21780543912315 0.10657632080469 0.93448987402262 15.999 11 O 0.26521840552764 0.61485179490631 0.90592297506197 15.999 12 O 0.78219456087685 0.10657632080469 0.56551012597738 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.804175270215747 0.000000000000000 0.000000000000000 b 0.000000000000000 5.678606140000000 0.000000000000000 c -0.127446487328642 0.000000000000000 5.101449882396694 Atomic positions (fractional): *1 Sc 0.50000000000000 0.67667750428089 0.25000000000000 44.956 > 1 2 Sc 0.50000000000000 0.32332249571911 0.75000000000000 44.956 > 2 *3 Ta 0.00000000000000 0.17724593817059 0.25000000000000 180.948 > 3 4 Ta 0.00000000000000 0.82275406182941 0.75000000000000 180.948 > 4 *5 O 0.21780543912315 0.89342367919531 0.43448987402262 15.999 > 5 *6 O 0.26521840552764 0.38514820509369 0.40592297506197 15.999 > 6 7 O 0.78219456087685 0.89342367919531 0.06551012597738 15.999 > 7 8 O 0.73478159447236 0.61485179490631 0.59407702493803 15.999 > 8 9 O 0.73478159447236 0.38514820509369 0.09407702493803 15.999 > 9 10 O 0.21780543912315 0.10657632080469 0.93448987402262 15.999 > 10 11 O 0.26521840552764 0.61485179490631 0.90592297506197 15.999 > 11 12 O 0.78219456087685 0.10657632080469 0.56551012597738 15.999 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.412525810647242 0.000000000000000 0.000000000000000 b 0.000000000000000 11.357212280000001 0.000000000000000 c -0.254892974657284 0.000000000000000 10.202899764793388 Atomic positions (fractional): *1 Sc 0.16666666666667 0.33833875214044 0.12500000000000 44.956 > 1 2 Sc 0.50000000000000 0.33833875214044 0.12500000000000 44.956 > 1 3 Sc 0.83333333333333 0.33833875214044 0.12500000000000 44.956 > 1 4 Sc 0.16666666666667 0.83833875214044 0.12500000000000 44.956 > 1 5 Sc 0.50000000000000 0.83833875214044 0.12500000000000 44.956 > 1 6 Sc 0.83333333333333 0.83833875214044 0.12500000000000 44.956 > 1 7 Sc 0.16666666666667 0.33833875214044 0.62500000000000 44.956 > 1 8 Sc 0.50000000000000 0.33833875214044 0.62500000000000 44.956 > 1 9 Sc 0.83333333333333 0.33833875214044 0.62500000000000 44.956 > 1 10 Sc 0.16666666666667 0.83833875214044 0.62500000000000 44.956 > 1 11 Sc 0.50000000000000 0.83833875214044 0.62500000000000 44.956 > 1 12 Sc 0.83333333333333 0.83833875214044 0.62500000000000 44.956 > 1 13 Sc 0.16666666666667 0.16166124785956 0.37500000000000 44.956 > 2 14 Sc 0.50000000000000 0.16166124785956 0.37500000000000 44.956 > 2 15 Sc 0.83333333333333 0.16166124785956 0.37500000000000 44.956 > 2 16 Sc 0.16666666666667 0.66166124785956 0.37500000000000 44.956 > 2 17 Sc 0.50000000000000 0.66166124785956 0.37500000000000 44.956 > 2 18 Sc 0.83333333333333 0.66166124785956 0.37500000000000 44.956 > 2 19 Sc 0.16666666666667 0.16166124785956 0.87500000000000 44.956 > 2 20 Sc 0.50000000000000 0.16166124785956 0.87500000000000 44.956 > 2 21 Sc 0.83333333333333 0.16166124785956 0.87500000000000 44.956 > 2 22 Sc 0.16666666666667 0.66166124785956 0.87500000000000 44.956 > 2 23 Sc 0.50000000000000 0.66166124785956 0.87500000000000 44.956 > 2 24 Sc 0.83333333333333 0.66166124785956 0.87500000000000 44.956 > 2 *25 Ta 0.00000000000000 0.08862296908530 0.12500000000000 180.948 > 3 26 Ta 0.33333333333333 0.08862296908530 0.12500000000000 180.948 > 3 27 Ta 0.66666666666667 0.08862296908530 0.12500000000000 180.948 > 3 28 Ta 0.00000000000000 0.58862296908530 0.12500000000000 180.948 > 3 29 Ta 0.33333333333333 0.58862296908530 0.12500000000000 180.948 > 3 30 Ta 0.66666666666667 0.58862296908530 0.12500000000000 180.948 > 3 31 Ta 0.00000000000000 0.08862296908530 0.62500000000000 180.948 > 3 32 Ta 0.33333333333333 0.08862296908530 0.62500000000000 180.948 > 3 33 Ta 0.66666666666667 0.08862296908530 0.62500000000000 180.948 > 3 34 Ta 0.00000000000000 0.58862296908530 0.62500000000000 180.948 > 3 35 Ta 0.33333333333333 0.58862296908530 0.62500000000000 180.948 > 3 36 Ta 0.66666666666667 0.58862296908530 0.62500000000000 180.948 > 3 37 Ta 0.00000000000000 0.41137703091470 0.37500000000000 180.948 > 4 38 Ta 0.33333333333333 0.41137703091470 0.37500000000000 180.948 > 4 39 Ta 0.66666666666667 0.41137703091470 0.37500000000000 180.948 > 4 40 Ta 0.00000000000000 0.91137703091470 0.37500000000000 180.948 > 4 41 Ta 0.33333333333333 0.91137703091470 0.37500000000000 180.948 > 4 42 Ta 0.66666666666667 0.91137703091470 0.37500000000000 180.948 > 4 43 Ta 0.00000000000000 0.41137703091470 0.87500000000000 180.948 > 4 44 Ta 0.33333333333333 0.41137703091470 0.87500000000000 180.948 > 4 45 Ta 0.66666666666667 0.41137703091470 0.87500000000000 180.948 > 4 46 Ta 0.00000000000000 0.91137703091470 0.87500000000000 180.948 > 4 47 Ta 0.33333333333333 0.91137703091470 0.87500000000000 180.948 > 4 48 Ta 0.66666666666667 0.91137703091470 0.87500000000000 180.948 > 4 *49 O 0.07260181304105 0.44671183959766 0.21724493701131 15.999 > 5 50 O 0.40593514637438 0.44671183959766 0.21724493701131 15.999 > 5 51 O 0.73926847970772 0.44671183959766 0.21724493701131 15.999 > 5 52 O 0.07260181304105 0.94671183959766 0.21724493701131 15.999 > 5 53 O 0.40593514637438 0.94671183959766 0.21724493701131 15.999 > 5 54 O 0.73926847970772 0.94671183959766 0.21724493701131 15.999 > 5 55 O 0.07260181304105 0.44671183959766 0.71724493701131 15.999 > 5 56 O 0.40593514637438 0.44671183959766 0.71724493701131 15.999 > 5 57 O 0.73926847970772 0.44671183959766 0.71724493701131 15.999 > 5 58 O 0.07260181304105 0.94671183959766 0.71724493701131 15.999 > 5 59 O 0.40593514637438 0.94671183959766 0.71724493701131 15.999 > 5 60 O 0.73926847970772 0.94671183959766 0.71724493701131 15.999 > 5 *61 O 0.08840613517588 0.19257410254684 0.20296148753098 15.999 > 6 62 O 0.42173946850921 0.19257410254684 0.20296148753098 15.999 > 6 63 O 0.75507280184255 0.19257410254684 0.20296148753098 15.999 > 6 64 O 0.08840613517588 0.69257410254684 0.20296148753098 15.999 > 6 65 O 0.42173946850921 0.69257410254684 0.20296148753098 15.999 > 6 66 O 0.75507280184255 0.69257410254684 0.20296148753098 15.999 > 6 67 O 0.08840613517588 0.19257410254684 0.70296148753098 15.999 > 6 68 O 0.42173946850921 0.19257410254684 0.70296148753098 15.999 > 6 69 O 0.75507280184255 0.19257410254684 0.70296148753098 15.999 > 6 70 O 0.08840613517588 0.69257410254684 0.70296148753098 15.999 > 6 71 O 0.42173946850921 0.69257410254684 0.70296148753098 15.999 > 6 72 O 0.75507280184255 0.69257410254684 0.70296148753098 15.999 > 6 73 O 0.26073152029228 0.44671183959766 0.03275506298869 15.999 > 7 74 O 0.59406485362562 0.44671183959766 0.03275506298869 15.999 > 7 75 O 0.92739818695895 0.44671183959766 0.03275506298869 15.999 > 7 76 O 0.26073152029228 0.94671183959766 0.03275506298869 15.999 > 7 77 O 0.59406485362562 0.94671183959766 0.03275506298869 15.999 > 7 78 O 0.92739818695895 0.94671183959766 0.03275506298869 15.999 > 7 79 O 0.26073152029228 0.44671183959766 0.53275506298869 15.999 > 7 80 O 0.59406485362562 0.44671183959766 0.53275506298869 15.999 > 7 81 O 0.92739818695895 0.44671183959766 0.53275506298869 15.999 > 7 82 O 0.26073152029228 0.94671183959766 0.53275506298869 15.999 > 7 83 O 0.59406485362562 0.94671183959766 0.53275506298869 15.999 > 7 84 O 0.92739818695895 0.94671183959766 0.53275506298869 15.999 > 7 85 O 0.24492719815745 0.30742589745316 0.29703851246902 15.999 > 8 86 O 0.57826053149079 0.30742589745316 0.29703851246902 15.999 > 8 87 O 0.91159386482412 0.30742589745316 0.29703851246902 15.999 > 8 88 O 0.24492719815745 0.80742589745316 0.29703851246902 15.999 > 8 89 O 0.57826053149079 0.80742589745316 0.29703851246902 15.999 > 8 90 O 0.91159386482412 0.80742589745316 0.29703851246902 15.999 > 8 91 O 0.24492719815745 0.30742589745316 0.79703851246902 15.999 > 8 92 O 0.57826053149079 0.30742589745316 0.79703851246902 15.999 > 8 93 O 0.91159386482412 0.30742589745316 0.79703851246902 15.999 > 8 94 O 0.24492719815745 0.80742589745316 0.79703851246902 15.999 > 8 95 O 0.57826053149079 0.80742589745316 0.79703851246902 15.999 > 8 96 O 0.91159386482412 0.80742589745316 0.79703851246902 15.999 > 8 97 O 0.24492719815745 0.19257410254684 0.04703851246902 15.999 > 9 98 O 0.57826053149079 0.19257410254684 0.04703851246902 15.999 > 9 99 O 0.91159386482412 0.19257410254684 0.04703851246902 15.999 > 9 100 O 0.24492719815745 0.69257410254684 0.04703851246902 15.999 > 9 101 O 0.57826053149079 0.69257410254684 0.04703851246902 15.999 > 9 102 O 0.91159386482412 0.69257410254684 0.04703851246902 15.999 > 9 103 O 0.24492719815745 0.19257410254684 0.54703851246902 15.999 > 9 104 O 0.57826053149079 0.19257410254684 0.54703851246902 15.999 > 9 105 O 0.91159386482412 0.19257410254684 0.54703851246902 15.999 > 9 106 O 0.24492719815745 0.69257410254684 0.54703851246902 15.999 > 9 107 O 0.57826053149079 0.69257410254684 0.54703851246902 15.999 > 9 108 O 0.91159386482412 0.69257410254684 0.54703851246902 15.999 > 9 109 O 0.07260181304105 0.05328816040234 0.46724493701131 15.999 > 10 110 O 0.40593514637438 0.05328816040234 0.46724493701131 15.999 > 10 111 O 0.73926847970772 0.05328816040234 0.46724493701131 15.999 > 10 112 O 0.07260181304105 0.55328816040234 0.46724493701131 15.999 > 10 113 O 0.40593514637438 0.55328816040234 0.46724493701131 15.999 > 10 114 O 0.73926847970772 0.55328816040234 0.46724493701131 15.999 > 10 115 O 0.07260181304105 0.05328816040234 0.96724493701131 15.999 > 10 116 O 0.40593514637438 0.05328816040234 0.96724493701131 15.999 > 10 117 O 0.73926847970772 0.05328816040234 0.96724493701131 15.999 > 10 118 O 0.07260181304105 0.55328816040234 0.96724493701131 15.999 > 10 119 O 0.40593514637438 0.55328816040234 0.96724493701131 15.999 > 10 120 O 0.73926847970772 0.55328816040234 0.96724493701131 15.999 > 10 121 O 0.08840613517588 0.30742589745316 0.45296148753098 15.999 > 11 122 O 0.42173946850921 0.30742589745316 0.45296148753098 15.999 > 11 123 O 0.75507280184255 0.30742589745316 0.45296148753098 15.999 > 11 124 O 0.08840613517588 0.80742589745316 0.45296148753098 15.999 > 11 125 O 0.42173946850921 0.80742589745316 0.45296148753098 15.999 > 11 126 O 0.75507280184255 0.80742589745316 0.45296148753098 15.999 > 11 127 O 0.08840613517588 0.30742589745316 0.95296148753098 15.999 > 11 128 O 0.42173946850921 0.30742589745316 0.95296148753098 15.999 > 11 129 O 0.75507280184255 0.30742589745316 0.95296148753098 15.999 > 11 130 O 0.08840613517588 0.80742589745316 0.95296148753098 15.999 > 11 131 O 0.42173946850921 0.80742589745316 0.95296148753098 15.999 > 11 132 O 0.75507280184255 0.80742589745316 0.95296148753098 15.999 > 11 133 O 0.26073152029228 0.05328816040234 0.28275506298869 15.999 > 12 134 O 0.59406485362562 0.05328816040234 0.28275506298869 15.999 > 12 135 O 0.92739818695895 0.05328816040234 0.28275506298869 15.999 > 12 136 O 0.26073152029228 0.55328816040234 0.28275506298869 15.999 > 12 137 O 0.59406485362562 0.55328816040234 0.28275506298869 15.999 > 12 138 O 0.92739818695895 0.55328816040234 0.28275506298869 15.999 > 12 139 O 0.26073152029228 0.05328816040234 0.78275506298869 15.999 > 12 140 O 0.59406485362562 0.05328816040234 0.78275506298869 15.999 > 12 141 O 0.92739818695895 0.05328816040234 0.78275506298869 15.999 > 12 142 O 0.26073152029228 0.55328816040234 0.78275506298869 15.999 > 12 143 O 0.59406485362562 0.55328816040234 0.78275506298869 15.999 > 12 144 O 0.92739818695895 0.55328816040234 0.78275506298869 15.999 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.1956598 0.0000000 0.1182595 0.0000000 4.9169194 0.0000000 0.1182592 0.0000000 5.3175305 -------------------------- Born effective charges -------------------------- 1 Sc 4.9764376 0.0000000 -0.0843109 0.0000000 4.1816953 0.0000000 0.0129453 0.0000000 4.4473529 2 Sc 4.9764376 0.0000000 -0.0843109 0.0000000 4.1816953 0.0000000 0.0129453 0.0000000 4.4473529 3 Ta 5.7836387 0.0000000 0.4077174 0.0000000 5.9382897 0.0000000 0.3165606 0.0000000 6.8878318 4 Ta 5.7836387 0.0000000 0.4077174 0.0000000 5.9382897 0.0000000 0.3165606 0.0000000 6.8878318 5 O -2.4847174 0.7606591 0.8935888 0.7408374 -2.4064543 0.3977116 0.8856176 0.5677341 -3.1670436 6 O -2.8953207 -1.3383538 -1.0552921 -1.3570988 -2.6535382 -0.3763282 -1.0503706 -0.2387913 -2.5005488 7 O -2.4847174 -0.7606591 0.8935888 -0.7408374 -2.4064543 -0.3977116 0.8856176 -0.5677341 -3.1670436 8 O -2.8953207 -1.3383538 -1.0552921 -1.3570988 -2.6535382 -0.3763282 -1.0503706 -0.2387913 -2.5005488 9 O -2.8953207 1.3383538 -1.0552921 1.3570988 -2.6535382 0.3763282 -1.0503706 0.2387913 -2.5005488 10 O -2.4847174 -0.7606591 0.8935888 -0.7408374 -2.4064543 -0.3977116 0.8856176 -0.5677341 -3.1670436 11 O -2.8953207 1.3383538 -1.0552921 1.3570988 -2.6535382 0.3763282 -1.0503706 0.2387913 -2.5005488 12 O -2.4847174 0.7606591 0.8935888 0.7408374 -2.4064543 0.3977116 0.8856176 0.5677341 -3.1670436 ---------------------------------------------------------------------------- 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: 432/432 Permutation basis: 8352/8352 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2074 Number of blocks in projector: 2074 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 424 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 424 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 262 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 262 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 262 Use standard eigh solver. Tree of FC basis block matrices: - (2074, 2047), data: False |-- (262, 258), data: True |-- (262, 258), data: True |-- (262, 258), data: True |-- (424, 420), data: True |-- (424, 420), data: True |-- (440, 433), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 400 - Time: 0.738 Solver_block: 200 / 400 - Time: 0.722 Solver_block: 300 / 400 - Time: 0.717 Solver_block: 400 / 400 - Time: 0.718 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.960 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 8352/8352 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2074 Number of blocks in projector: 2074 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 424 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 424 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 262 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 262 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 262 Use standard eigh solver. Tree of FC basis block matrices: - (2074, 2047), data: False |-- (262, 258), data: True |-- (262, 258), data: True |-- (262, 258), data: True |-- (424, 420), data: True |-- (424, 420), data: True |-- (440, 433), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 14:25:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 14:25:55]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [3 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2/c (13) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.804175270215747 0.000000000000000 0.000000000000000 b 0.000000000000000 5.678606140000000 0.000000000000000 c -0.127446487328642 0.000000000000000 5.101449882396694 Atomic positions (fractional): 1 Sc 0.50000000000000 0.67667750428089 0.25000000000000 44.956 2 Sc 0.50000000000000 0.32332249571911 0.75000000000000 44.956 3 Ta 0.00000000000000 0.17724593817059 0.25000000000000 180.948 4 Ta 0.00000000000000 0.82275406182941 0.75000000000000 180.948 5 O 0.21780543912315 0.89342367919531 0.43448987402262 15.999 6 O 0.26521840552764 0.38514820509369 0.40592297506197 15.999 7 O 0.78219456087685 0.89342367919531 0.06551012597738 15.999 8 O 0.73478159447236 0.61485179490631 0.59407702493803 15.999 9 O 0.73478159447236 0.38514820509369 0.09407702493803 15.999 10 O 0.21780543912315 0.10657632080469 0.93448987402262 15.999 11 O 0.26521840552764 0.61485179490631 0.90592297506197 15.999 12 O 0.78219456087685 0.10657632080469 0.56551012597738 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.412525810647242 0.000000000000000 0.000000000000000 b 0.000000000000000 11.357212280000001 0.000000000000000 c -0.254892974657284 0.000000000000000 10.202899764793388 Atomic positions (fractional): 1 Sc 0.16666666666667 0.33833875214044 0.12500000000000 44.956 > 1 2 Sc 0.50000000000000 0.33833875214044 0.12500000000000 44.956 > 1 3 Sc 0.83333333333333 0.33833875214044 0.12500000000000 44.956 > 1 4 Sc 0.16666666666667 0.83833875214044 0.12500000000000 44.956 > 1 5 Sc 0.50000000000000 0.83833875214044 0.12500000000000 44.956 > 1 6 Sc 0.83333333333333 0.83833875214044 0.12500000000000 44.956 > 1 7 Sc 0.16666666666667 0.33833875214044 0.62500000000000 44.956 > 1 8 Sc 0.50000000000000 0.33833875214044 0.62500000000000 44.956 > 1 9 Sc 0.83333333333333 0.33833875214044 0.62500000000000 44.956 > 1 10 Sc 0.16666666666667 0.83833875214044 0.62500000000000 44.956 > 1 11 Sc 0.50000000000000 0.83833875214044 0.62500000000000 44.956 > 1 12 Sc 0.83333333333333 0.83833875214044 0.62500000000000 44.956 > 1 13 Sc 0.16666666666667 0.16166124785956 0.37500000000000 44.956 > 13 14 Sc 0.50000000000000 0.16166124785956 0.37500000000000 44.956 > 13 15 Sc 0.83333333333333 0.16166124785956 0.37500000000000 44.956 > 13 16 Sc 0.16666666666667 0.66166124785956 0.37500000000000 44.956 > 13 17 Sc 0.50000000000000 0.66166124785956 0.37500000000000 44.956 > 13 18 Sc 0.83333333333333 0.66166124785956 0.37500000000000 44.956 > 13 19 Sc 0.16666666666667 0.16166124785956 0.87500000000000 44.956 > 13 20 Sc 0.50000000000000 0.16166124785956 0.87500000000000 44.956 > 13 21 Sc 0.83333333333333 0.16166124785956 0.87500000000000 44.956 > 13 22 Sc 0.16666666666667 0.66166124785956 0.87500000000000 44.956 > 13 23 Sc 0.50000000000000 0.66166124785956 0.87500000000000 44.956 > 13 24 Sc 0.83333333333333 0.66166124785956 0.87500000000000 44.956 > 13 25 Ta 0.00000000000000 0.08862296908530 0.12500000000000 180.948 > 25 26 Ta 0.33333333333333 0.08862296908530 0.12500000000000 180.948 > 25 27 Ta 0.66666666666667 0.08862296908530 0.12500000000000 180.948 > 25 28 Ta 0.00000000000000 0.58862296908530 0.12500000000000 180.948 > 25 29 Ta 0.33333333333333 0.58862296908530 0.12500000000000 180.948 > 25 30 Ta 0.66666666666667 0.58862296908530 0.12500000000000 180.948 > 25 31 Ta 0.00000000000000 0.08862296908530 0.62500000000000 180.948 > 25 32 Ta 0.33333333333333 0.08862296908530 0.62500000000000 180.948 > 25 33 Ta 0.66666666666667 0.08862296908530 0.62500000000000 180.948 > 25 34 Ta 0.00000000000000 0.58862296908530 0.62500000000000 180.948 > 25 35 Ta 0.33333333333333 0.58862296908530 0.62500000000000 180.948 > 25 36 Ta 0.66666666666667 0.58862296908530 0.62500000000000 180.948 > 25 37 Ta 0.00000000000000 0.41137703091470 0.37500000000000 180.948 > 37 38 Ta 0.33333333333333 0.41137703091470 0.37500000000000 180.948 > 37 39 Ta 0.66666666666667 0.41137703091470 0.37500000000000 180.948 > 37 40 Ta 0.00000000000000 0.91137703091470 0.37500000000000 180.948 > 37 41 Ta 0.33333333333333 0.91137703091470 0.37500000000000 180.948 > 37 42 Ta 0.66666666666667 0.91137703091470 0.37500000000000 180.948 > 37 43 Ta 0.00000000000000 0.41137703091470 0.87500000000000 180.948 > 37 44 Ta 0.33333333333333 0.41137703091470 0.87500000000000 180.948 > 37 45 Ta 0.66666666666667 0.41137703091470 0.87500000000000 180.948 > 37 46 Ta 0.00000000000000 0.91137703091470 0.87500000000000 180.948 > 37 47 Ta 0.33333333333333 0.91137703091470 0.87500000000000 180.948 > 37 48 Ta 0.66666666666667 0.91137703091470 0.87500000000000 180.948 > 37 49 O 0.07260181304105 0.44671183959766 0.21724493701131 15.999 > 49 50 O 0.40593514637438 0.44671183959766 0.21724493701131 15.999 > 49 51 O 0.73926847970772 0.44671183959766 0.21724493701131 15.999 > 49 52 O 0.07260181304105 0.94671183959766 0.21724493701131 15.999 > 49 53 O 0.40593514637438 0.94671183959766 0.21724493701131 15.999 > 49 54 O 0.73926847970772 0.94671183959766 0.21724493701131 15.999 > 49 55 O 0.07260181304105 0.44671183959766 0.71724493701131 15.999 > 49 56 O 0.40593514637438 0.44671183959766 0.71724493701131 15.999 > 49 57 O 0.73926847970772 0.44671183959766 0.71724493701131 15.999 > 49 58 O 0.07260181304105 0.94671183959766 0.71724493701131 15.999 > 49 59 O 0.40593514637438 0.94671183959766 0.71724493701131 15.999 > 49 60 O 0.73926847970772 0.94671183959766 0.71724493701131 15.999 > 49 61 O 0.08840613517588 0.19257410254684 0.20296148753098 15.999 > 61 62 O 0.42173946850921 0.19257410254684 0.20296148753098 15.999 > 61 63 O 0.75507280184255 0.19257410254684 0.20296148753098 15.999 > 61 64 O 0.08840613517588 0.69257410254684 0.20296148753098 15.999 > 61 65 O 0.42173946850921 0.69257410254684 0.20296148753098 15.999 > 61 66 O 0.75507280184255 0.69257410254684 0.20296148753098 15.999 > 61 67 O 0.08840613517588 0.19257410254684 0.70296148753098 15.999 > 61 68 O 0.42173946850921 0.19257410254684 0.70296148753098 15.999 > 61 69 O 0.75507280184255 0.19257410254684 0.70296148753098 15.999 > 61 70 O 0.08840613517588 0.69257410254684 0.70296148753098 15.999 > 61 71 O 0.42173946850921 0.69257410254684 0.70296148753098 15.999 > 61 72 O 0.75507280184255 0.69257410254684 0.70296148753098 15.999 > 61 73 O 0.26073152029228 0.44671183959766 0.03275506298869 15.999 > 73 74 O 0.59406485362562 0.44671183959766 0.03275506298869 15.999 > 73 75 O 0.92739818695895 0.44671183959766 0.03275506298869 15.999 > 73 76 O 0.26073152029228 0.94671183959766 0.03275506298869 15.999 > 73 77 O 0.59406485362562 0.94671183959766 0.03275506298869 15.999 > 73 78 O 0.92739818695895 0.94671183959766 0.03275506298869 15.999 > 73 79 O 0.26073152029228 0.44671183959766 0.53275506298869 15.999 > 73 80 O 0.59406485362562 0.44671183959766 0.53275506298869 15.999 > 73 81 O 0.92739818695895 0.44671183959766 0.53275506298869 15.999 > 73 82 O 0.26073152029228 0.94671183959766 0.53275506298869 15.999 > 73 83 O 0.59406485362562 0.94671183959766 0.53275506298869 15.999 > 73 84 O 0.92739818695895 0.94671183959766 0.53275506298869 15.999 > 73 85 O 0.24492719815745 0.30742589745316 0.29703851246902 15.999 > 85 86 O 0.57826053149079 0.30742589745316 0.29703851246902 15.999 > 85 87 O 0.91159386482412 0.30742589745316 0.29703851246902 15.999 > 85 88 O 0.24492719815745 0.80742589745316 0.29703851246902 15.999 > 85 89 O 0.57826053149079 0.80742589745316 0.29703851246902 15.999 > 85 90 O 0.91159386482412 0.80742589745316 0.29703851246902 15.999 > 85 91 O 0.24492719815745 0.30742589745316 0.79703851246902 15.999 > 85 92 O 0.57826053149079 0.30742589745316 0.79703851246902 15.999 > 85 93 O 0.91159386482412 0.30742589745316 0.79703851246902 15.999 > 85 94 O 0.24492719815745 0.80742589745316 0.79703851246902 15.999 > 85 95 O 0.57826053149079 0.80742589745316 0.79703851246902 15.999 > 85 96 O 0.91159386482412 0.80742589745316 0.79703851246902 15.999 > 85 97 O 0.24492719815745 0.19257410254684 0.04703851246902 15.999 > 97 98 O 0.57826053149079 0.19257410254684 0.04703851246902 15.999 > 97 99 O 0.91159386482412 0.19257410254684 0.04703851246902 15.999 > 97 100 O 0.24492719815745 0.69257410254684 0.04703851246902 15.999 > 97 101 O 0.57826053149079 0.69257410254684 0.04703851246902 15.999 > 97 102 O 0.91159386482412 0.69257410254684 0.04703851246902 15.999 > 97 103 O 0.24492719815745 0.19257410254684 0.54703851246902 15.999 > 97 104 O 0.57826053149079 0.19257410254684 0.54703851246902 15.999 > 97 105 O 0.91159386482412 0.19257410254684 0.54703851246902 15.999 > 97 106 O 0.24492719815745 0.69257410254684 0.54703851246902 15.999 > 97 107 O 0.57826053149079 0.69257410254684 0.54703851246902 15.999 > 97 108 O 0.91159386482412 0.69257410254684 0.54703851246902 15.999 > 97 109 O 0.07260181304105 0.05328816040234 0.46724493701131 15.999 > 109 110 O 0.40593514637438 0.05328816040234 0.46724493701131 15.999 > 109 111 O 0.73926847970772 0.05328816040234 0.46724493701131 15.999 > 109 112 O 0.07260181304105 0.55328816040234 0.46724493701131 15.999 > 109 113 O 0.40593514637438 0.55328816040234 0.46724493701131 15.999 > 109 114 O 0.73926847970772 0.55328816040234 0.46724493701131 15.999 > 109 115 O 0.07260181304105 0.05328816040234 0.96724493701131 15.999 > 109 116 O 0.40593514637438 0.05328816040234 0.96724493701131 15.999 > 109 117 O 0.73926847970772 0.05328816040234 0.96724493701131 15.999 > 109 118 O 0.07260181304105 0.55328816040234 0.96724493701131 15.999 > 109 119 O 0.40593514637438 0.55328816040234 0.96724493701131 15.999 > 109 120 O 0.73926847970772 0.55328816040234 0.96724493701131 15.999 > 109 121 O 0.08840613517588 0.30742589745316 0.45296148753098 15.999 > 121 122 O 0.42173946850921 0.30742589745316 0.45296148753098 15.999 > 121 123 O 0.75507280184255 0.30742589745316 0.45296148753098 15.999 > 121 124 O 0.08840613517588 0.80742589745316 0.45296148753098 15.999 > 121 125 O 0.42173946850921 0.80742589745316 0.45296148753098 15.999 > 121 126 O 0.75507280184255 0.80742589745316 0.45296148753098 15.999 > 121 127 O 0.08840613517588 0.30742589745316 0.95296148753098 15.999 > 121 128 O 0.42173946850921 0.30742589745316 0.95296148753098 15.999 > 121 129 O 0.75507280184255 0.30742589745316 0.95296148753098 15.999 > 121 130 O 0.08840613517588 0.80742589745316 0.95296148753098 15.999 > 121 131 O 0.42173946850921 0.80742589745316 0.95296148753098 15.999 > 121 132 O 0.75507280184255 0.80742589745316 0.95296148753098 15.999 > 121 133 O 0.26073152029228 0.05328816040234 0.28275506298869 15.999 > 133 134 O 0.59406485362562 0.05328816040234 0.28275506298869 15.999 > 133 135 O 0.92739818695895 0.05328816040234 0.28275506298869 15.999 > 133 136 O 0.26073152029228 0.55328816040234 0.28275506298869 15.999 > 133 137 O 0.59406485362562 0.55328816040234 0.28275506298869 15.999 > 133 138 O 0.92739818695895 0.55328816040234 0.28275506298869 15.999 > 133 139 O 0.26073152029228 0.05328816040234 0.78275506298869 15.999 > 133 140 O 0.59406485362562 0.05328816040234 0.78275506298869 15.999 > 133 141 O 0.92739818695895 0.05328816040234 0.78275506298869 15.999 > 133 142 O 0.26073152029228 0.55328816040234 0.78275506298869 15.999 > 133 143 O 0.59406485362562 0.55328816040234 0.78275506298869 15.999 > 133 144 O 0.92739818695895 0.55328816040234 0.78275506298869 15.999 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.1956598 0.0000000 0.1182595 0.0000000 4.9169194 0.0000000 0.1182592 0.0000000 5.3175305 -------------------------- Born effective charges -------------------------- 1 Sc 4.9764376 0.0000000 -0.0843109 0.0000000 4.1816953 0.0000000 0.0129453 0.0000000 4.4473529 2 Sc 4.9764376 0.0000000 -0.0843109 0.0000000 4.1816953 0.0000000 0.0129453 0.0000000 4.4473529 3 Ta 5.7836387 0.0000000 0.4077174 0.0000000 5.9382897 0.0000000 0.3165606 0.0000000 6.8878318 4 Ta 5.7836387 0.0000000 0.4077174 0.0000000 5.9382897 0.0000000 0.3165606 0.0000000 6.8878318 5 O -2.4847174 0.7606591 0.8935888 0.7408374 -2.4064543 0.3977116 0.8856176 0.5677341 -3.1670436 6 O -2.8953207 -1.3383538 -1.0552921 -1.3570988 -2.6535382 -0.3763282 -1.0503706 -0.2387913 -2.5005488 7 O -2.4847174 -0.7606591 0.8935888 -0.7408374 -2.4064543 -0.3977116 0.8856176 -0.5677341 -3.1670436 8 O -2.8953207 -1.3383538 -1.0552921 -1.3570988 -2.6535382 -0.3763282 -1.0503706 -0.2387913 -2.5005488 9 O -2.8953207 1.3383538 -1.0552921 1.3570988 -2.6535382 0.3763282 -1.0503706 0.2387913 -2.5005488 10 O -2.4847174 -0.7606591 0.8935888 -0.7408374 -2.4064543 -0.3977116 0.8856176 -0.5677341 -3.1670436 11 O -2.8953207 1.3383538 -1.0552921 1.3570988 -2.6535382 0.3763282 -1.0503706 0.2387913 -2.5005488 12 O -2.4847174 0.7606591 0.8935888 0.7408374 -2.4064543 0.3977116 0.8856176 0.5677341 -3.1670436 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000002 (yyy) -0.00000002 (yyy) -0.00000002 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000002 (xz) 0.00000002 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 14:26:15]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 14:26:15]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [3 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2/c (13) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.804175270215747 0.000000000000000 0.000000000000000 b 0.000000000000000 5.678606140000000 0.000000000000000 c -0.127446487328642 0.000000000000000 5.101449882396694 Atomic positions (fractional): 1 Sc 0.50000000000000 0.67667750428089 0.25000000000000 44.956 2 Sc 0.50000000000000 0.32332249571911 0.75000000000000 44.956 3 Ta 0.00000000000000 0.17724593817059 0.25000000000000 180.948 4 Ta 0.00000000000000 0.82275406182941 0.75000000000000 180.948 5 O 0.21780543912315 0.89342367919531 0.43448987402262 15.999 6 O 0.26521840552764 0.38514820509369 0.40592297506197 15.999 7 O 0.78219456087685 0.89342367919531 0.06551012597738 15.999 8 O 0.73478159447236 0.61485179490631 0.59407702493803 15.999 9 O 0.73478159447236 0.38514820509369 0.09407702493803 15.999 10 O 0.21780543912315 0.10657632080469 0.93448987402262 15.999 11 O 0.26521840552764 0.61485179490631 0.90592297506197 15.999 12 O 0.78219456087685 0.10657632080469 0.56551012597738 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.412525810647242 0.000000000000000 0.000000000000000 b 0.000000000000000 11.357212280000001 0.000000000000000 c -0.254892974657284 0.000000000000000 10.202899764793388 Atomic positions (fractional): 1 Sc 0.16666666666667 0.33833875214044 0.12500000000000 44.956 > 1 2 Sc 0.50000000000000 0.33833875214044 0.12500000000000 44.956 > 1 3 Sc 0.83333333333333 0.33833875214044 0.12500000000000 44.956 > 1 4 Sc 0.16666666666667 0.83833875214044 0.12500000000000 44.956 > 1 5 Sc 0.50000000000000 0.83833875214044 0.12500000000000 44.956 > 1 6 Sc 0.83333333333333 0.83833875214044 0.12500000000000 44.956 > 1 7 Sc 0.16666666666667 0.33833875214044 0.62500000000000 44.956 > 1 8 Sc 0.50000000000000 0.33833875214044 0.62500000000000 44.956 > 1 9 Sc 0.83333333333333 0.33833875214044 0.62500000000000 44.956 > 1 10 Sc 0.16666666666667 0.83833875214044 0.62500000000000 44.956 > 1 11 Sc 0.50000000000000 0.83833875214044 0.62500000000000 44.956 > 1 12 Sc 0.83333333333333 0.83833875214044 0.62500000000000 44.956 > 1 13 Sc 0.16666666666667 0.16166124785956 0.37500000000000 44.956 > 13 14 Sc 0.50000000000000 0.16166124785956 0.37500000000000 44.956 > 13 15 Sc 0.83333333333333 0.16166124785956 0.37500000000000 44.956 > 13 16 Sc 0.16666666666667 0.66166124785956 0.37500000000000 44.956 > 13 17 Sc 0.50000000000000 0.66166124785956 0.37500000000000 44.956 > 13 18 Sc 0.83333333333333 0.66166124785956 0.37500000000000 44.956 > 13 19 Sc 0.16666666666667 0.16166124785956 0.87500000000000 44.956 > 13 20 Sc 0.50000000000000 0.16166124785956 0.87500000000000 44.956 > 13 21 Sc 0.83333333333333 0.16166124785956 0.87500000000000 44.956 > 13 22 Sc 0.16666666666667 0.66166124785956 0.87500000000000 44.956 > 13 23 Sc 0.50000000000000 0.66166124785956 0.87500000000000 44.956 > 13 24 Sc 0.83333333333333 0.66166124785956 0.87500000000000 44.956 > 13 25 Ta 0.00000000000000 0.08862296908530 0.12500000000000 180.948 > 25 26 Ta 0.33333333333333 0.08862296908530 0.12500000000000 180.948 > 25 27 Ta 0.66666666666667 0.08862296908530 0.12500000000000 180.948 > 25 28 Ta 0.00000000000000 0.58862296908530 0.12500000000000 180.948 > 25 29 Ta 0.33333333333333 0.58862296908530 0.12500000000000 180.948 > 25 30 Ta 0.66666666666667 0.58862296908530 0.12500000000000 180.948 > 25 31 Ta 0.00000000000000 0.08862296908530 0.62500000000000 180.948 > 25 32 Ta 0.33333333333333 0.08862296908530 0.62500000000000 180.948 > 25 33 Ta 0.66666666666667 0.08862296908530 0.62500000000000 180.948 > 25 34 Ta 0.00000000000000 0.58862296908530 0.62500000000000 180.948 > 25 35 Ta 0.33333333333333 0.58862296908530 0.62500000000000 180.948 > 25 36 Ta 0.66666666666667 0.58862296908530 0.62500000000000 180.948 > 25 37 Ta 0.00000000000000 0.41137703091470 0.37500000000000 180.948 > 37 38 Ta 0.33333333333333 0.41137703091470 0.37500000000000 180.948 > 37 39 Ta 0.66666666666667 0.41137703091470 0.37500000000000 180.948 > 37 40 Ta 0.00000000000000 0.91137703091470 0.37500000000000 180.948 > 37 41 Ta 0.33333333333333 0.91137703091470 0.37500000000000 180.948 > 37 42 Ta 0.66666666666667 0.91137703091470 0.37500000000000 180.948 > 37 43 Ta 0.00000000000000 0.41137703091470 0.87500000000000 180.948 > 37 44 Ta 0.33333333333333 0.41137703091470 0.87500000000000 180.948 > 37 45 Ta 0.66666666666667 0.41137703091470 0.87500000000000 180.948 > 37 46 Ta 0.00000000000000 0.91137703091470 0.87500000000000 180.948 > 37 47 Ta 0.33333333333333 0.91137703091470 0.87500000000000 180.948 > 37 48 Ta 0.66666666666667 0.91137703091470 0.87500000000000 180.948 > 37 49 O 0.07260181304105 0.44671183959766 0.21724493701131 15.999 > 49 50 O 0.40593514637438 0.44671183959766 0.21724493701131 15.999 > 49 51 O 0.73926847970772 0.44671183959766 0.21724493701131 15.999 > 49 52 O 0.07260181304105 0.94671183959766 0.21724493701131 15.999 > 49 53 O 0.40593514637438 0.94671183959766 0.21724493701131 15.999 > 49 54 O 0.73926847970772 0.94671183959766 0.21724493701131 15.999 > 49 55 O 0.07260181304105 0.44671183959766 0.71724493701131 15.999 > 49 56 O 0.40593514637438 0.44671183959766 0.71724493701131 15.999 > 49 57 O 0.73926847970772 0.44671183959766 0.71724493701131 15.999 > 49 58 O 0.07260181304105 0.94671183959766 0.71724493701131 15.999 > 49 59 O 0.40593514637438 0.94671183959766 0.71724493701131 15.999 > 49 60 O 0.73926847970772 0.94671183959766 0.71724493701131 15.999 > 49 61 O 0.08840613517588 0.19257410254684 0.20296148753098 15.999 > 61 62 O 0.42173946850921 0.19257410254684 0.20296148753098 15.999 > 61 63 O 0.75507280184255 0.19257410254684 0.20296148753098 15.999 > 61 64 O 0.08840613517588 0.69257410254684 0.20296148753098 15.999 > 61 65 O 0.42173946850921 0.69257410254684 0.20296148753098 15.999 > 61 66 O 0.75507280184255 0.69257410254684 0.20296148753098 15.999 > 61 67 O 0.08840613517588 0.19257410254684 0.70296148753098 15.999 > 61 68 O 0.42173946850921 0.19257410254684 0.70296148753098 15.999 > 61 69 O 0.75507280184255 0.19257410254684 0.70296148753098 15.999 > 61 70 O 0.08840613517588 0.69257410254684 0.70296148753098 15.999 > 61 71 O 0.42173946850921 0.69257410254684 0.70296148753098 15.999 > 61 72 O 0.75507280184255 0.69257410254684 0.70296148753098 15.999 > 61 73 O 0.26073152029228 0.44671183959766 0.03275506298869 15.999 > 73 74 O 0.59406485362562 0.44671183959766 0.03275506298869 15.999 > 73 75 O 0.92739818695895 0.44671183959766 0.03275506298869 15.999 > 73 76 O 0.26073152029228 0.94671183959766 0.03275506298869 15.999 > 73 77 O 0.59406485362562 0.94671183959766 0.03275506298869 15.999 > 73 78 O 0.92739818695895 0.94671183959766 0.03275506298869 15.999 > 73 79 O 0.26073152029228 0.44671183959766 0.53275506298869 15.999 > 73 80 O 0.59406485362562 0.44671183959766 0.53275506298869 15.999 > 73 81 O 0.92739818695895 0.44671183959766 0.53275506298869 15.999 > 73 82 O 0.26073152029228 0.94671183959766 0.53275506298869 15.999 > 73 83 O 0.59406485362562 0.94671183959766 0.53275506298869 15.999 > 73 84 O 0.92739818695895 0.94671183959766 0.53275506298869 15.999 > 73 85 O 0.24492719815745 0.30742589745316 0.29703851246902 15.999 > 85 86 O 0.57826053149079 0.30742589745316 0.29703851246902 15.999 > 85 87 O 0.91159386482412 0.30742589745316 0.29703851246902 15.999 > 85 88 O 0.24492719815745 0.80742589745316 0.29703851246902 15.999 > 85 89 O 0.57826053149079 0.80742589745316 0.29703851246902 15.999 > 85 90 O 0.91159386482412 0.80742589745316 0.29703851246902 15.999 > 85 91 O 0.24492719815745 0.30742589745316 0.79703851246902 15.999 > 85 92 O 0.57826053149079 0.30742589745316 0.79703851246902 15.999 > 85 93 O 0.91159386482412 0.30742589745316 0.79703851246902 15.999 > 85 94 O 0.24492719815745 0.80742589745316 0.79703851246902 15.999 > 85 95 O 0.57826053149079 0.80742589745316 0.79703851246902 15.999 > 85 96 O 0.91159386482412 0.80742589745316 0.79703851246902 15.999 > 85 97 O 0.24492719815745 0.19257410254684 0.04703851246902 15.999 > 97 98 O 0.57826053149079 0.19257410254684 0.04703851246902 15.999 > 97 99 O 0.91159386482412 0.19257410254684 0.04703851246902 15.999 > 97 100 O 0.24492719815745 0.69257410254684 0.04703851246902 15.999 > 97 101 O 0.57826053149079 0.69257410254684 0.04703851246902 15.999 > 97 102 O 0.91159386482412 0.69257410254684 0.04703851246902 15.999 > 97 103 O 0.24492719815745 0.19257410254684 0.54703851246902 15.999 > 97 104 O 0.57826053149079 0.19257410254684 0.54703851246902 15.999 > 97 105 O 0.91159386482412 0.19257410254684 0.54703851246902 15.999 > 97 106 O 0.24492719815745 0.69257410254684 0.54703851246902 15.999 > 97 107 O 0.57826053149079 0.69257410254684 0.54703851246902 15.999 > 97 108 O 0.91159386482412 0.69257410254684 0.54703851246902 15.999 > 97 109 O 0.07260181304105 0.05328816040234 0.46724493701131 15.999 > 109 110 O 0.40593514637438 0.05328816040234 0.46724493701131 15.999 > 109 111 O 0.73926847970772 0.05328816040234 0.46724493701131 15.999 > 109 112 O 0.07260181304105 0.55328816040234 0.46724493701131 15.999 > 109 113 O 0.40593514637438 0.55328816040234 0.46724493701131 15.999 > 109 114 O 0.73926847970772 0.55328816040234 0.46724493701131 15.999 > 109 115 O 0.07260181304105 0.05328816040234 0.96724493701131 15.999 > 109 116 O 0.40593514637438 0.05328816040234 0.96724493701131 15.999 > 109 117 O 0.73926847970772 0.05328816040234 0.96724493701131 15.999 > 109 118 O 0.07260181304105 0.55328816040234 0.96724493701131 15.999 > 109 119 O 0.40593514637438 0.55328816040234 0.96724493701131 15.999 > 109 120 O 0.73926847970772 0.55328816040234 0.96724493701131 15.999 > 109 121 O 0.08840613517588 0.30742589745316 0.45296148753098 15.999 > 121 122 O 0.42173946850921 0.30742589745316 0.45296148753098 15.999 > 121 123 O 0.75507280184255 0.30742589745316 0.45296148753098 15.999 > 121 124 O 0.08840613517588 0.80742589745316 0.45296148753098 15.999 > 121 125 O 0.42173946850921 0.80742589745316 0.45296148753098 15.999 > 121 126 O 0.75507280184255 0.80742589745316 0.45296148753098 15.999 > 121 127 O 0.08840613517588 0.30742589745316 0.95296148753098 15.999 > 121 128 O 0.42173946850921 0.30742589745316 0.95296148753098 15.999 > 121 129 O 0.75507280184255 0.30742589745316 0.95296148753098 15.999 > 121 130 O 0.08840613517588 0.80742589745316 0.95296148753098 15.999 > 121 131 O 0.42173946850921 0.80742589745316 0.95296148753098 15.999 > 121 132 O 0.75507280184255 0.80742589745316 0.95296148753098 15.999 > 121 133 O 0.26073152029228 0.05328816040234 0.28275506298869 15.999 > 133 134 O 0.59406485362562 0.05328816040234 0.28275506298869 15.999 > 133 135 O 0.92739818695895 0.05328816040234 0.28275506298869 15.999 > 133 136 O 0.26073152029228 0.55328816040234 0.28275506298869 15.999 > 133 137 O 0.59406485362562 0.55328816040234 0.28275506298869 15.999 > 133 138 O 0.92739818695895 0.55328816040234 0.28275506298869 15.999 > 133 139 O 0.26073152029228 0.05328816040234 0.78275506298869 15.999 > 133 140 O 0.59406485362562 0.05328816040234 0.78275506298869 15.999 > 133 141 O 0.92739818695895 0.05328816040234 0.78275506298869 15.999 > 133 142 O 0.26073152029228 0.55328816040234 0.78275506298869 15.999 > 133 143 O 0.59406485362562 0.55328816040234 0.78275506298869 15.999 > 133 144 O 0.92739818695895 0.55328816040234 0.78275506298869 15.999 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.1956598 0.0000000 0.1182595 0.0000000 4.9169194 0.0000000 0.1182592 0.0000000 5.3175305 -------------------------- Born effective charges -------------------------- 1 Sc 4.9764376 0.0000000 -0.0843109 0.0000000 4.1816953 0.0000000 0.0129453 0.0000000 4.4473529 2 Sc 4.9764376 0.0000000 -0.0843109 0.0000000 4.1816953 0.0000000 0.0129453 0.0000000 4.4473529 3 Ta 5.7836387 0.0000000 0.4077174 0.0000000 5.9382897 0.0000000 0.3165606 0.0000000 6.8878318 4 Ta 5.7836387 0.0000000 0.4077174 0.0000000 5.9382897 0.0000000 0.3165606 0.0000000 6.8878318 5 O -2.4847174 0.7606591 0.8935888 0.7408374 -2.4064543 0.3977116 0.8856176 0.5677341 -3.1670436 6 O -2.8953207 -1.3383538 -1.0552921 -1.3570988 -2.6535382 -0.3763282 -1.0503706 -0.2387913 -2.5005488 7 O -2.4847174 -0.7606591 0.8935888 -0.7408374 -2.4064543 -0.3977116 0.8856176 -0.5677341 -3.1670436 8 O -2.8953207 -1.3383538 -1.0552921 -1.3570988 -2.6535382 -0.3763282 -1.0503706 -0.2387913 -2.5005488 9 O -2.8953207 1.3383538 -1.0552921 1.3570988 -2.6535382 0.3763282 -1.0503706 0.2387913 -2.5005488 10 O -2.4847174 -0.7606591 0.8935888 -0.7408374 -2.4064543 -0.3977116 0.8856176 -0.5677341 -3.1670436 11 O -2.8953207 1.3383538 -1.0552921 1.3570988 -2.6535382 0.3763282 -1.0503706 0.2387913 -2.5005488 12 O -2.4847174 0.7606591 0.8935888 0.7408374 -2.4064543 0.3977116 0.8856176 0.5677341 -3.1670436 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000002 (yyy) -0.00000002 (yyy) -0.00000002 (yyy) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 9 10 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.80, Number of G-points: 287, Lambda: 0.19 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/260) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 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 3.411 ( 0.000 0.000 0.000) 0.000 3.799 ( 0.000 0.000 0.000) 0.000 4.818 ( 0.000 0.000 0.000) 0.000 5.110 ( 0.000 0.000 0.000) 0.000 5.705 ( 0.000 0.000 0.000) 0.000 6.340 ( 0.000 0.000 0.000) 0.000 6.700 ( 0.000 0.000 0.000) 0.000 6.724 ( 0.000 0.000 0.000) 0.000 6.953 ( 0.000 0.000 0.000) 0.000 7.866 ( 0.000 0.000 0.000) 0.000 8.583 ( 0.000 0.000 0.000) 0.000 8.595 ( 0.000 0.000 0.000) 0.000 8.616 ( 0.000 0.000 0.000) 0.000 8.686 ( 0.000 0.000 0.000) 0.000 9.769 ( 0.000 0.000 0.000) 0.000 10.568 ( 0.000 0.000 0.000) 0.000 10.744 ( 0.000 0.000 0.000) 0.000 10.770 ( 0.000 0.000 0.000) 0.000 11.866 ( 0.000 0.000 0.000) 0.000 12.352 ( 0.000 0.000 0.000) 0.000 12.485 ( 0.000 0.000 0.000) 0.000 13.488 ( 0.000 0.000 0.000) 0.000 14.222 ( 0.000 0.000 0.000) 0.000 14.408 ( 0.000 0.000 0.000) 0.000 15.361 ( 0.000 0.000 0.000) 0.000 16.017 ( 0.000 0.000 0.000) 0.000 18.077 ( 0.000 0.000 0.000) 0.000 18.216 ( 0.000 0.000 0.000) 0.000 18.648 ( 0.000 0.000 0.000) 0.000 18.667 ( 0.000 0.000 0.000) 0.000 19.739 ( 0.000 0.000 0.000) 0.000 23.004 ( 0.000 0.000 0.000) 0.000 24.525 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/260) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.710 ( 34.190 0.000 -16.010) 37.753 0.748 ( 34.509 0.000 17.549) 38.715 1.316 ( 61.539 0.000 9.022) 62.197 3.431 ( 1.518 0.000 6.293) 6.474 3.803 ( 0.563 0.000 0.568) 0.800 4.882 ( 5.832 0.000 -4.884) 7.606 5.407 ( 5.827 0.000 25.242) 25.906 5.689 ( -1.441 0.000 9.921) 10.025 6.343 ( 0.022 0.000 6.401) 6.401 6.691 ( -2.940 0.000 -3.210) 4.353 6.937 ( -1.122 0.000 -10.324) 10.385 7.795 ( -4.374 0.000 -10.082) 10.990 7.927 ( 4.927 0.000 9.979) 11.129 8.435 ( -11.466 0.000 7.826) 13.882 8.467 ( -5.920 0.000 -4.291) 7.312 8.755 ( 8.133 0.000 -14.805) 16.892 8.798 ( 7.122 0.000 -4.039) 8.187 9.642 ( -11.401 0.000 -0.356) 11.407 10.712 ( -5.676 0.000 1.479) 5.866 10.783 ( 3.207 0.000 5.417) 6.295 11.590 ( -12.722 0.000 60.858) 62.173 11.946 ( 6.922 0.000 -2.256) 7.280 12.403 ( 5.359 0.000 2.477) 5.904 12.556 ( 5.701 0.000 13.267) 14.440 14.124 ( 2.550 0.000 9.919) 10.242 14.258 ( 3.334 0.000 -3.831) 5.078 15.351 ( -0.808 0.000 -1.649) 1.836 15.892 ( -12.272 0.000 2.946) 12.621 16.088 ( 0.407 0.000 -118.338) 118.339 17.958 ( -16.488 0.000 12.580) 20.739 18.643 ( -2.367 0.000 2.232) 3.253 18.920 ( 18.089 0.000 -13.744) 22.718 19.634 ( -9.598 0.000 3.795) 10.321 23.071 ( 5.817 0.000 1.960) 6.138 24.333 ( -1.543 0.000 63.448) 63.467 24.517 ( -0.741 0.000 -0.531) 0.911 ======================= Grid point 2 (3/260) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( 32.421 0.000 -14.013) 35.320 1.435 ( 30.207 0.000 14.898) 33.681 2.538 ( 54.645 0.000 5.398) 54.911 3.464 ( 0.703 0.000 9.965) 9.990 3.833 ( 2.437 0.000 1.572) 2.900 5.015 ( 5.759 0.000 -7.177) 9.202 5.592 ( 10.366 0.000 21.511) 23.878 5.689 ( 1.965 0.000 16.999) 17.113 6.344 ( -0.428 0.000 10.448) 10.456 6.605 ( -4.841 0.000 -5.751) 7.517 6.905 ( -0.842 0.000 -19.714) 19.732 7.656 ( -8.366 0.000 -14.632) 16.855 8.034 ( 2.783 0.000 -8.171) 8.632 8.163 ( -14.618 0.000 11.188) 18.408 8.390 ( 0.748 0.000 10.148) 10.175 8.942 ( 10.801 0.000 -14.739) 18.273 8.954 ( 7.289 0.000 0.243) 7.293 9.338 ( -16.516 0.000 -2.503) 16.704 10.532 ( -11.730 0.000 3.009) 12.110 10.864 ( 3.915 0.000 7.092) 8.101 11.292 ( -17.031 0.000 16.031) 23.389 12.117 ( 9.595 0.000 -2.746) 9.980 12.596 ( 12.680 0.000 3.742) 13.221 12.708 ( 7.891 0.000 13.167) 15.351 14.188 ( 2.567 0.000 5.564) 6.127 14.341 ( 4.393 0.000 -5.942) 7.390 15.331 ( -0.891 0.000 -2.573) 2.723 15.508 ( -24.406 0.000 4.761) 24.866 16.025 ( -1.793 0.000 -49.295) 49.327 17.675 ( -10.609 0.000 12.936) 16.730 18.571 ( -4.702 0.000 3.300) 5.744 19.243 ( 8.835 0.000 -24.514) 26.057 19.406 ( -7.452 0.000 15.866) 17.529 23.215 ( 7.135 0.000 3.141) 7.796 24.336 ( -0.479 0.000 28.574) 28.578 24.494 ( -1.301 0.000 -1.431) 1.934 ======================= Grid point 3 (4/260) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.002 ( 23.183 0.000 10.941) 25.635 2.033 ( 28.900 0.000 -11.747) 31.196 3.445 ( -3.674 0.000 10.656) 11.271 3.553 ( 41.395 0.000 -1.207) 41.413 3.903 ( 4.092 0.000 3.713) 5.526 5.075 ( 0.630 0.000 -4.578) 4.621 5.815 ( 8.498 0.000 18.615) 20.463 5.849 ( 12.962 0.000 22.981) 26.384 6.338 ( -0.608 0.000 11.063) 11.080 6.493 ( -5.418 0.000 -8.375) 9.975 6.907 ( 2.844 0.000 -25.589) 25.746 7.437 ( -11.633 0.000 -17.407) 20.936 7.861 ( -14.432 0.000 14.256) 20.286 7.981 ( -5.554 0.000 -9.793) 11.259 8.559 ( 13.200 0.000 11.618) 17.584 8.893 ( -17.232 0.000 10.365) 20.109 9.178 ( 5.745 0.000 -10.163) 11.674 9.194 ( 14.079 0.000 -15.704) 21.091 10.227 ( -17.625 0.000 3.352) 17.941 10.924 ( -18.283 0.000 4.511) 18.831 10.943 ( 3.060 0.000 5.558) 6.345 12.371 ( 15.647 0.000 -1.232) 15.696 12.886 ( 8.305 0.000 9.293) 12.463 12.891 ( 14.232 0.000 2.845) 14.514 14.217 ( -0.228 0.000 2.940) 2.948 14.405 ( 0.494 0.000 -5.315) 5.338 14.927 ( -29.285 0.000 4.566) 29.639 15.316 ( -0.372 0.000 -2.417) 2.446 15.979 ( -0.582 0.000 -22.876) 22.883 17.530 ( -4.315 0.000 11.430) 12.217 18.458 ( -5.933 0.000 2.870) 6.590 19.061 ( -12.779 0.000 -5.486) 13.907 19.565 ( 10.185 0.000 -1.582) 10.307 23.347 ( 5.064 0.000 3.109) 5.942 24.344 ( 0.120 0.000 16.442) 16.443 24.463 ( -1.492 0.000 -2.803) 3.175 ======================= Grid point 4 (5/260) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.390 ( 13.070 0.000 5.911) 14.344 2.577 ( 23.739 0.000 -10.031) 25.772 3.304 ( -10.571 0.000 9.879) 14.468 3.962 ( 3.007 0.000 -1.514) 3.366 4.242 ( 21.997 0.000 0.400) 22.001 5.071 ( -0.259 0.000 -1.745) 1.764 6.000 ( 7.075 0.000 15.877) 17.382 6.139 ( 12.944 0.000 21.770) 25.327 6.335 ( -0.013 0.000 7.182) 7.182 6.381 ( -4.458 0.000 -9.528) 10.519 7.010 ( 7.771 0.000 -23.261) 24.525 7.171 ( -12.134 0.000 -17.058) 20.934 7.601 ( -10.671 0.000 13.631) 17.311 7.862 ( -4.628 0.000 -4.598) 6.524 8.535 ( -15.028 0.000 6.212) 16.261 8.893 ( 17.759 0.000 5.742) 18.664 9.301 ( 4.818 0.000 -4.022) 6.276 9.489 ( 13.364 0.000 -9.156) 16.200 9.823 ( -19.902 0.000 -0.982) 19.926 10.560 ( -15.974 0.000 3.071) 16.267 10.991 ( 1.365 0.000 2.741) 3.062 12.780 ( 23.306 0.000 -0.247) 23.308 13.046 ( 6.103 0.000 4.953) 7.860 13.147 ( 9.497 0.000 0.757) 9.527 14.107 ( -29.607 0.000 2.557) 29.718 14.187 ( -2.172 0.000 0.883) 2.345 14.581 ( -2.249 0.000 -2.025) 3.026 15.312 ( 0.030 0.000 -1.397) 1.397 15.975 ( 0.746 0.000 -8.765) 8.797 17.486 ( -0.879 0.000 7.235) 7.288 18.346 ( -4.412 0.000 1.524) 4.668 18.833 ( -8.167 0.000 -2.680) 8.595 19.727 ( 5.313 0.000 -1.823) 5.617 23.425 ( 2.310 0.000 1.909) 2.996 24.357 ( 0.432 0.000 9.577) 9.587 24.433 ( -1.175 0.000 -3.732) 3.913 ======================= Grid point 5 (6/260) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.531 ( 0.000 0.000 0.000) 0.000 2.967 ( -0.000 0.000 0.000) 0.000 3.052 ( 0.000 0.000 -0.000) 0.000 3.992 ( 0.000 0.000 -0.000) 0.000 4.474 ( 0.000 0.000 0.000) 0.000 5.069 ( 0.000 0.000 0.000) 0.000 6.086 ( 0.000 0.000 -0.000) 0.000 6.313 ( 0.000 0.000 -0.000) 0.000 6.324 ( 0.000 0.000 0.000) 0.000 6.342 ( 0.000 0.000 0.000) 0.000 7.005 ( 0.000 0.000 -0.000) 0.000 7.120 ( 0.000 0.000 0.000) 0.000 7.474 ( 0.000 0.000 -0.000) 0.000 7.809 ( 0.000 0.000 -0.000) 0.000 8.362 ( 0.000 0.000 -0.000) 0.000 9.211 ( 0.000 0.000 0.000) 0.000 9.352 ( 0.000 0.000 -0.000) 0.000 9.442 ( 0.000 0.000 -0.000) 0.000 9.706 ( 0.000 0.000 0.000) 0.000 10.355 ( 0.000 0.000 -0.000) 0.000 11.005 ( 0.000 0.000 -0.000) 0.000 13.116 ( 0.000 0.000 -0.000) 0.000 13.160 ( -0.000 0.000 -0.000) 0.000 13.307 ( -0.000 0.000 0.000) 0.000 13.587 ( 0.000 0.000 -0.000) 0.000 14.158 ( 0.000 0.000 0.000) 0.000 14.573 ( 0.000 0.000 0.000) 0.000 15.313 ( 0.000 0.000 -0.000) 0.000 15.984 ( 0.000 0.000 -0.000) 0.000 17.482 ( 0.000 0.000 -0.000) 0.000 18.297 ( 0.000 0.000 0.000) 0.000 18.743 ( 0.000 0.000 0.000) 0.000 19.782 ( 0.000 0.000 0.000) 0.000 23.449 ( 0.000 0.000 -0.000) 0.000 24.366 ( 0.000 0.000 -0.000) 0.000 24.417 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 11 (7/260) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.564 ( 0.000 28.450 0.000) 28.450 0.715 ( 0.000 35.394 0.000) 35.394 1.193 ( 0.000 59.159 0.000) 59.159 3.395 ( 0.000 -1.649 0.000) 1.649 3.921 ( 0.000 12.093 0.000) 12.093 4.679 ( 0.000 -12.417 0.000) 12.417 5.190 ( 0.000 6.811 0.000) 6.811 5.723 ( 0.000 2.463 0.000) 2.463 6.500 ( 0.000 12.953 0.000) 12.953 6.663 ( 0.000 2.748 0.000) 2.748 6.902 ( 0.000 12.982 0.000) 12.982 7.039 ( 0.000 -5.879 0.000) 5.879 7.908 ( 0.000 3.713 0.000) 3.713 8.503 ( 0.000 -7.777 0.000) 7.777 8.571 ( 0.000 -2.674 0.000) 2.674 8.767 ( 0.000 6.206 0.000) 6.206 9.643 ( 0.000 -10.209 0.000) 10.209 10.473 ( 0.000 2.368 0.000) 2.368 10.564 ( 0.000 -0.139 0.000) 0.139 10.669 ( 0.000 -7.475 0.000) 7.475 10.901 ( 0.000 10.988 0.000) 10.988 11.828 ( 0.000 -3.875 0.000) 3.875 12.487 ( 0.000 0.055 0.000) 0.055 13.499 ( 0.000 1.009 0.000) 1.009 14.166 ( 0.000 -5.492 0.000) 5.492 14.366 ( 0.000 -4.091 0.000) 4.091 15.156 ( 0.000 -2.900 0.000) 2.900 15.449 ( 0.000 7.073 0.000) 7.073 17.286 ( 0.000 -17.981 0.000) 17.981 18.093 ( 0.000 1.585 0.000) 1.585 18.652 ( 0.000 0.426 0.000) 0.426 18.857 ( 0.000 16.487 0.000) 16.487 19.728 ( 0.000 -1.105 0.000) 1.105 20.714 ( 0.000 -2.933 0.000) 2.933 24.327 ( 0.000 0.074 0.000) 0.074 24.522 ( 0.000 -0.310 0.000) 0.310 ======================= Grid point 12 (8/260) ======================= q-point: ( 0.10 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.749 ( 15.984 20.024 8.333) 26.943 0.986 ( 29.326 15.619 21.975) 39.836 1.804 ( 43.248 37.881 -9.239) 58.230 3.418 ( 1.793 -1.442 5.780) 6.222 3.917 ( -0.213 11.352 0.110) 11.355 4.759 ( 7.475 -11.757 -4.088) 14.519 5.301 ( 5.068 0.209 11.276) 12.364 5.879 ( 4.784 8.221 15.189) 17.921 6.521 ( -0.103 16.321 2.237) 16.474 6.694 ( 1.389 -5.046 -15.191) 16.067 6.847 ( -2.246 -0.942 7.793) 8.165 7.350 ( 20.459 -14.105 -2.804) 25.008 7.873 ( -2.622 2.730 -0.826) 3.874 8.399 ( -7.782 -5.560 -12.725) 15.918 8.506 ( -8.338 -0.937 4.492) 9.518 8.797 ( 4.481 5.350 4.594) 8.355 9.495 ( -14.422 5.256 -7.458) 17.066 9.638 ( -19.668 23.105 -10.152) 31.995 10.653 ( -2.428 -6.639 0.589) 7.093 10.855 ( -0.923 6.318 8.771) 10.849 11.303 ( 14.683 -12.585 30.884) 36.439 11.932 ( 9.115 -3.772 0.542) 9.879 12.446 ( -3.844 0.819 -1.927) 4.377 13.000 ( -21.200 26.452 24.509) 41.831 14.110 ( -2.836 -1.915 11.719) 12.209 14.199 ( 3.242 -5.721 -3.330) 7.371 15.340 ( 0.515 -1.583 -3.918) 4.257 15.735 ( 17.534 -3.970 -36.775) 40.934 16.263 ( -41.314 4.662 -42.215) 59.251 17.969 ( -11.039 0.585 3.702) 11.658 18.611 ( -3.072 -1.609 2.169) 4.090 19.052 ( 12.298 11.228 -12.165) 20.623 19.626 ( -8.943 -0.566 5.661) 10.599 22.192 ( 56.462 -53.727 28.523) 82.995 24.331 ( -0.370 -0.088 20.245) 20.249 24.510 ( -1.042 -0.608 -1.250) 1.738 ======================= Grid point 13 (9/260) ======================= q-point: ( 0.20 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( 28.649 -1.090 -2.779) 28.804 1.617 ( 28.894 9.509 15.281) 34.041 2.740 ( 44.157 17.120 -2.986) 47.454 3.462 ( 1.760 -0.344 9.185) 9.358 3.922 ( 0.787 9.043 1.173) 9.153 4.961 ( 11.027 -7.917 -7.395) 15.458 5.400 ( 4.305 -3.568 12.484) 13.679 5.929 ( 1.750 11.890 21.955) 25.029 6.485 ( -3.096 9.283 2.571) 10.118 6.669 ( -3.126 6.389 1.428) 7.255 6.845 ( 2.170 -3.251 -17.510) 17.941 7.566 ( -2.915 -8.091 -8.801) 12.305 7.908 ( 7.146 -6.666 1.210) 9.847 8.208 ( -9.360 1.254 -1.873) 9.628 8.319 ( -6.454 -0.857 0.169) 6.513 8.939 ( 7.406 1.630 1.174) 7.674 9.267 ( -8.622 -1.010 -6.732) 10.986 9.376 ( -6.692 23.597 -4.367) 24.913 10.531 ( -9.601 -1.243 0.673) 9.705 10.844 ( -0.970 -0.842 12.627) 12.692 11.330 ( -8.556 3.963 12.933) 16.005 12.130 ( 9.052 0.068 -1.102) 9.119 12.473 ( 8.863 -6.739 1.013) 11.181 12.886 ( 3.373 12.026 12.932) 17.979 14.105 ( -0.229 -7.789 4.575) 9.037 14.299 ( 6.100 -4.382 -5.266) 9.173 15.278 ( -11.000 -4.685 -2.042) 12.130 15.499 ( -22.809 -1.883 0.684) 22.897 16.041 ( 8.118 2.815 -41.559) 42.438 17.736 ( -10.309 5.006 8.964) 14.550 18.532 ( -4.773 -3.222 3.598) 6.790 19.256 ( 2.764 0.816 -23.775) 23.949 19.434 ( -4.458 2.933 17.888) 18.667 22.900 ( 19.433 -27.562 11.753) 35.714 24.331 ( -0.461 -0.339 18.359) 18.368 24.478 ( -1.904 -1.540 -2.670) 3.623 ======================= Grid point 14 (10/260) ======================= q-point: ( 0.30 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.843 ( 26.106 -6.806 -4.014) 27.276 2.179 ( 24.335 6.874 7.774) 26.455 3.381 ( 3.126 -4.106 7.236) 8.887 3.650 ( 27.682 5.935 -2.421) 28.415 3.955 ( 2.722 5.754 4.701) 7.913 5.133 ( 4.471 3.689 -7.360) 9.368 5.545 ( 10.290 -12.862 13.662) 21.400 6.033 ( 7.131 8.322 21.957) 24.540 6.409 ( -4.066 2.971 -0.633) 5.075 6.592 ( -4.011 9.890 6.852) 12.683 6.900 ( 3.730 1.083 -23.227) 23.549 7.393 ( -9.925 -4.103 -6.068) 12.335 7.889 ( -8.775 -2.184 -5.120) 10.391 8.022 ( -8.535 8.368 -1.155) 12.009 8.406 ( 12.782 -9.548 7.819) 17.767 8.878 ( -13.712 -3.842 3.438) 14.649 9.259 ( 10.636 3.871 -10.344) 15.333 9.357 ( 2.136 16.394 -4.148) 17.045 10.262 ( -15.723 3.524 2.283) 16.274 10.777 ( -7.343 -5.546 8.380) 12.446 11.150 ( -6.093 12.123 3.537) 14.021 12.353 ( 13.384 -1.883 -1.136) 13.563 12.719 ( 12.229 -9.635 3.546) 15.967 13.030 ( 8.811 6.458 7.088) 13.023 14.076 ( -2.854 -12.091 2.356) 12.645 14.401 ( 0.965 -1.909 -5.689) 6.077 14.735 ( -28.255 -15.844 3.975) 32.637 15.350 ( -1.445 2.288 -1.981) 3.354 16.147 ( 3.827 14.848 -22.701) 27.394 17.577 ( -5.347 4.250 10.023) 12.129 18.422 ( -5.463 -3.157 3.054) 7.010 19.074 ( -11.677 1.073 -6.357) 13.339 19.546 ( 7.365 -1.917 1.641) 7.785 23.184 ( 8.934 -15.598 6.199) 19.014 24.334 ( -0.055 -1.055 15.102) 15.139 24.432 ( -2.135 -2.727 -5.585) 6.572 ======================= Grid point 15 (11/260) ======================= q-point: ( 0.40 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.297 ( 16.349 -6.824 -1.464) 17.776 2.637 ( 19.649 3.648 -0.569) 19.993 3.276 ( -10.025 -2.871 9.002) 13.776 3.953 ( 2.169 -0.481 -3.459) 4.111 4.221 ( 17.310 -2.273 2.429) 17.626 5.172 ( 0.903 9.339 -2.950) 9.836 5.805 ( 12.065 -13.880 9.453) 20.678 6.209 ( 6.246 0.093 14.167) 15.483 6.330 ( -2.049 3.167 -0.464) 3.800 6.522 ( -2.839 11.558 6.297) 13.465 6.931 ( -1.632 -4.109 -16.943) 17.510 7.260 ( 0.678 3.686 -6.610) 7.599 7.662 ( -11.881 6.495 -0.596) 13.553 7.875 ( -4.847 2.246 -2.538) 5.915 8.536 ( -9.919 0.079 6.474) 11.845 8.776 ( 14.167 -8.249 1.241) 16.440 9.363 ( -3.198 3.885 0.899) 5.112 9.517 ( 12.130 1.112 -9.910) 15.703 9.935 ( -13.497 11.158 0.583) 17.522 10.569 ( -10.837 2.023 2.997) 11.424 11.094 ( -0.735 9.573 2.517) 9.926 12.696 ( 18.834 -8.288 0.053) 20.577 12.937 ( 8.388 -8.240 2.347) 11.990 13.222 ( 8.425 3.873 1.635) 9.415 13.928 ( -22.234 -15.123 5.486) 27.443 14.056 ( -12.148 -12.187 -1.211) 17.250 14.562 ( 1.770 -2.711 -2.133) 3.877 15.333 ( -0.402 1.886 -1.322) 2.338 16.190 ( 1.412 19.774 -9.920) 22.168 17.514 ( -1.538 2.503 6.638) 7.259 18.331 ( -2.951 -1.240 1.259) 3.439 18.857 ( -8.179 2.296 -2.219) 8.781 19.667 ( 3.992 -6.104 -0.485) 7.310 23.313 ( 3.636 -10.911 2.888) 11.858 24.342 ( 0.006 -3.356 13.476) 13.887 24.391 ( -1.286 -2.178 -9.039) 9.387 ======================= Grid point 16 (12/260) ======================= q-point: (-0.50 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.474 ( 0.000 -5.186 0.000) 5.186 2.997 ( -0.000 2.532 0.000) 2.532 3.014 ( 0.000 -4.078 -0.000) 4.078 3.970 ( 0.000 -1.462 -0.000) 1.462 4.406 ( 0.000 -6.586 0.000) 6.586 5.183 ( 0.000 10.534 0.000) 10.534 5.965 ( 0.000 -10.443 -0.000) 10.443 6.211 ( 0.000 -8.738 0.000) 8.738 6.374 ( 0.000 5.867 -0.000) 5.867 6.492 ( 0.000 11.545 0.000) 11.545 6.871 ( 0.000 -6.376 -0.000) 6.376 7.383 ( -0.000 18.116 0.000) 18.116 7.440 ( 0.000 -2.847 -0.000) 2.847 7.826 ( 0.000 1.581 0.000) 1.581 8.403 ( 0.000 4.122 0.000) 4.122 9.058 ( 0.000 -14.538 -0.000) 14.538 9.212 ( 0.000 0.080 0.000) 0.080 9.671 ( 0.000 -3.465 -0.000) 3.465 9.788 ( 0.000 19.573 -0.000) 19.573 10.431 ( 0.000 7.827 0.000) 7.827 11.089 ( 0.000 8.219 -0.000) 8.219 12.945 ( 0.000 -14.836 -0.000) 14.836 13.106 ( -0.000 -5.280 0.000) 5.280 13.407 ( -0.000 7.672 0.000) 7.672 13.415 ( 0.000 -15.649 -0.000) 15.649 13.978 ( 0.000 -16.015 -0.000) 16.015 14.583 ( 0.000 -0.960 -0.000) 0.960 15.328 ( 0.000 1.677 -0.000) 1.677 16.201 ( 0.000 20.450 0.000) 20.450 17.502 ( 0.000 1.760 -0.000) 1.760 18.303 ( 0.000 0.659 -0.000) 0.659 18.765 ( 0.000 2.113 0.000) 2.113 19.708 ( 0.000 -7.466 0.000) 7.466 23.350 ( 0.000 -9.570 0.000) 9.570 24.346 ( 0.000 -7.091 -0.000) 7.091 24.375 ( 0.000 0.829 0.000) 0.829 ======================= Grid point 22 (13/260) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( 0.000 26.278 0.000) 26.278 1.363 ( 0.000 30.374 0.000) 30.374 2.276 ( 0.000 50.463 0.000) 50.463 3.348 ( 0.000 -3.112 0.000) 3.112 4.243 ( 0.000 19.876 0.000) 19.876 4.387 ( 0.000 -16.385 0.000) 16.385 5.343 ( 0.000 8.291 0.000) 8.291 5.787 ( 0.000 3.013 0.000) 3.013 6.678 ( 0.000 7.708 0.000) 7.708 6.885 ( 0.000 -9.302 0.000) 9.302 6.910 ( 0.000 18.571 0.000) 18.571 7.212 ( 0.000 17.997 0.000) 17.997 7.962 ( 0.000 -0.736 0.000) 0.736 8.325 ( 0.000 -7.786 0.000) 7.786 8.520 ( 0.000 -2.856 0.000) 2.856 8.904 ( 0.000 7.684 0.000) 7.684 9.395 ( 0.000 -14.222 0.000) 14.222 10.460 ( 0.000 -13.478 0.000) 13.478 10.582 ( 0.000 8.769 0.000) 8.769 10.584 ( 0.000 2.734 0.000) 2.734 11.124 ( 0.000 10.621 0.000) 10.621 11.712 ( 0.000 -8.078 0.000) 8.078 12.484 ( 0.000 -0.436 0.000) 0.436 13.520 ( 0.000 0.935 0.000) 0.935 14.022 ( 0.000 -8.690 0.000) 8.690 14.263 ( 0.000 -5.907 0.000) 5.907 15.120 ( 0.000 -0.532 0.000) 0.532 15.598 ( 0.000 7.555 0.000) 7.555 16.887 ( 0.000 -21.230 0.000) 21.230 18.133 ( 0.000 2.286 0.000) 2.286 18.664 ( 0.000 0.705 0.000) 0.705 19.217 ( 0.000 18.955 0.000) 18.955 19.699 ( 0.000 -1.742 0.000) 1.742 20.632 ( 0.000 -5.324 0.000) 5.324 24.330 ( 0.000 0.297 0.000) 0.297 24.512 ( 0.000 -0.744 0.000) 0.744 ======================= Grid point 23 (14/260) ======================= q-point: ( 0.10 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( 5.199 26.123 11.735) 29.106 1.367 ( 12.941 24.394 16.181) 32.006 2.559 ( 23.084 36.602 -11.219) 44.704 3.377 ( 2.476 -2.532 5.047) 6.165 4.221 ( -1.845 18.628 -1.459) 18.776 4.484 ( 8.658 -15.155 -4.165) 17.943 5.391 ( 3.598 7.021 3.955) 8.825 5.981 ( 13.093 2.236 7.569) 15.288 6.592 ( -6.822 -1.397 -8.914) 11.312 6.808 ( -3.168 1.875 13.698) 14.184 6.926 ( 0.489 14.324 -0.137) 14.333 7.348 ( 9.698 10.783 -6.791) 16.013 7.921 ( -4.086 0.859 2.769) 5.010 8.236 ( -6.759 -9.565 -5.107) 12.777 8.498 ( -2.454 -0.191 -7.086) 7.501 8.929 ( 2.662 7.743 6.715) 10.589 9.316 ( -7.247 -11.913 -0.720) 13.963 10.110 ( -17.113 18.565 -16.448) 30.134 10.464 ( 0.142 -11.950 -0.372) 11.956 10.951 ( 2.711 3.294 19.827) 20.280 11.234 ( 13.211 3.778 11.239) 17.752 11.808 ( 8.958 -8.762 -1.476) 12.617 12.457 ( -2.817 0.411 -1.688) 3.309 13.339 ( -15.803 9.875 12.789) 22.601 14.030 ( -6.977 -6.970 6.888) 12.030 14.063 ( 0.587 -6.635 3.215) 7.396 15.306 ( 6.677 -1.095 -10.442) 12.443 15.761 ( 17.017 4.606 -27.146) 32.368 16.215 ( -47.617 -7.629 -8.903) 49.039 17.965 ( -8.306 -0.995 -4.135) 9.332 18.606 ( -4.794 0.962 3.139) 5.810 19.293 ( 2.838 12.025 -13.571) 18.353 19.622 ( -6.578 0.536 12.186) 13.859 21.443 ( 52.496 -25.497 23.125) 62.775 24.331 ( -0.115 0.166 4.645) 4.649 24.493 ( -1.762 -1.165 -1.296) 2.478 ======================= Grid point 24 (15/260) ======================= q-point: ( 0.20 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( 13.738 17.500 5.794) 22.990 1.818 ( 23.681 11.508 17.018) 31.350 3.066 ( 22.502 13.506 -6.824) 27.117 3.456 ( 5.678 0.299 5.704) 8.054 4.173 ( -2.669 15.443 0.088) 15.672 4.724 ( 14.409 -13.601 -6.881) 20.975 5.464 ( 2.591 6.921 3.081) 8.006 6.142 ( 1.541 9.036 15.064) 17.634 6.474 ( -3.100 -6.342 -14.891) 16.480 6.792 ( 0.069 1.992 22.839) 22.925 6.950 ( 1.838 12.586 -7.302) 14.666 7.464 ( -2.143 -0.240 -7.035) 7.358 7.846 ( -0.640 0.611 4.144) 4.238 8.133 ( -0.580 -6.968 -6.341) 9.439 8.406 ( -5.833 6.019 -9.262) 12.491 8.977 ( -2.826 2.513 8.634) 9.426 9.171 ( -1.534 -5.581 -4.240) 7.175 9.846 ( -8.987 20.327 -8.141) 23.669 10.452 ( -1.779 -5.902 -3.783) 7.233 10.883 ( -6.966 5.116 21.156) 22.853 11.436 ( 2.552 6.217 9.281) 11.459 12.056 ( 13.378 -8.577 -0.056) 15.892 12.393 ( -0.631 -1.021 -3.358) 3.566 13.105 ( -4.616 9.222 11.231) 15.247 13.916 ( -4.423 -10.679 2.686) 11.867 14.172 ( 7.239 -8.323 -3.631) 11.613 15.169 ( -32.857 -5.914 -1.118) 33.404 15.447 ( -9.057 -2.126 -2.947) 9.758 16.150 ( 19.088 7.630 -32.292) 38.280 17.804 ( -7.618 0.568 2.683) 8.097 18.491 ( -6.115 0.156 4.262) 7.456 19.259 ( -5.768 -0.636 -19.410) 20.259 19.513 ( -3.143 4.671 20.335) 21.100 22.333 ( 30.993 -27.101 16.510) 44.358 24.327 ( -0.763 -0.100 7.646) 7.685 24.439 ( -3.097 -2.351 -3.722) 5.383 ======================= Grid point 25 (16/260) ======================= q-point: ( 0.30 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.804 ( 19.680 3.664 -1.626) 20.084 2.299 ( 20.903 5.703 13.050) 25.293 3.297 ( -0.034 -4.720 5.629) 7.346 3.719 ( 17.390 1.105 -5.520) 18.279 4.120 ( -2.021 9.689 5.124) 11.145 5.053 ( 16.622 -11.201 -8.538) 21.786 5.500 ( 1.567 7.167 1.516) 7.491 6.147 ( -1.161 1.231 10.228) 10.368 6.442 ( 0.643 3.670 -2.314) 4.386 6.804 ( -0.307 10.241 16.837) 19.710 6.961 ( -1.199 3.294 -11.276) 11.808 7.306 ( -8.015 -4.126 4.197) 9.944 7.830 ( -2.246 -0.571 -10.254) 10.513 8.234 ( -5.429 4.656 -2.937) 7.732 8.282 ( 8.471 2.503 -1.580) 8.973 8.807 ( -9.645 -1.586 1.948) 9.967 9.276 ( 7.655 -3.169 -2.804) 8.747 9.678 ( -7.697 14.010 -2.116) 16.125 10.358 ( -7.259 6.429 -3.215) 10.215 10.750 ( -5.439 3.515 14.848) 16.199 11.398 ( -4.111 12.815 3.211) 13.836 12.293 ( 9.381 -4.551 -1.257) 10.502 12.508 ( 10.542 -11.631 0.541) 15.707 13.119 ( 3.817 1.796 5.738) 7.122 13.805 ( -6.820 -14.585 1.088) 16.137 14.320 ( 3.595 -6.303 -5.167) 8.908 14.419 ( -30.505 -14.151 4.587) 33.939 15.399 ( -0.776 2.898 -0.691) 3.078 16.476 ( 13.127 17.427 -25.805) 33.792 17.657 ( -6.301 2.686 6.277) 9.291 18.372 ( -4.944 -0.805 3.858) 6.323 19.085 ( -8.860 -0.575 -9.130) 12.735 19.493 ( -0.423 -3.206 11.126) 11.586 22.807 ( 15.511 -20.878 9.799) 27.794 24.290 ( -3.722 -3.799 8.363) 9.911 24.387 ( -0.853 -1.256 -5.493) 5.699 ======================= Grid point 26 (17/260) ======================= q-point: ( 0.40 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.182 ( 15.145 -4.088 -4.160) 16.230 2.679 ( 14.796 0.368 7.190) 16.454 3.197 ( -8.355 -4.855 6.328) 11.551 3.960 ( 3.801 0.914 -8.834) 9.661 4.149 ( 5.362 -4.479 8.570) 11.057 5.339 ( 9.009 1.808 -6.355) 11.172 5.593 ( 8.857 -2.218 -0.532) 9.145 6.081 ( -5.808 -10.482 4.194) 12.696 6.484 ( 2.273 9.912 6.671) 12.162 6.785 ( -1.782 14.086 4.729) 14.965 6.865 ( -6.474 -3.150 -4.913) 8.716 7.281 ( 5.554 0.096 7.700) 9.495 7.774 ( -2.273 3.345 -11.649) 12.331 8.018 ( -10.788 12.198 -5.197) 17.094 8.524 ( 5.287 -1.733 6.633) 8.658 8.679 ( 2.738 -0.114 -2.401) 3.644 9.362 ( -4.413 -5.504 0.590) 7.079 9.545 ( -0.979 2.677 -3.186) 4.275 10.203 ( -5.836 14.787 0.935) 15.924 10.680 ( -2.208 9.594 2.763) 10.225 11.327 ( -2.422 13.497 2.291) 13.903 12.481 ( 8.547 -12.814 -0.282) 15.405 12.741 ( 11.149 -11.931 0.127) 16.330 13.201 ( 1.059 -7.922 -0.238) 7.996 13.619 ( -10.374 -15.448 5.759) 19.479 13.837 ( -18.573 -6.108 1.390) 19.601 14.450 ( 4.107 -8.745 -2.763) 10.048 15.387 ( -0.380 3.703 -0.137) 3.725 16.657 ( 5.345 26.131 -14.475) 30.346 17.562 ( -3.043 1.796 5.200) 6.287 18.315 ( -0.383 0.152 1.209) 1.278 18.908 ( -7.326 2.386 -2.022) 7.965 19.493 ( -0.053 -11.352 4.287) 12.135 23.037 ( 6.889 -15.946 4.564) 17.960 24.203 ( -3.921 -9.061 3.379) 10.436 24.388 ( 0.552 0.647 -1.910) 2.090 ======================= Grid point 27 (18/260) ======================= q-point: (-0.50 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.356 ( -0.000 -6.310 0.000) 6.310 2.888 ( 0.000 -8.638 0.000) 8.638 3.044 ( 0.000 2.052 0.000) 2.052 3.976 ( 0.000 3.021 -0.000) 3.021 4.228 ( 0.000 -11.382 0.000) 11.382 5.418 ( 0.000 11.324 0.000) 11.324 5.770 ( 0.000 -7.120 -0.000) 7.120 5.960 ( -0.000 -16.827 0.000) 16.827 6.515 ( 0.000 7.469 -0.000) 7.469 6.768 ( -0.000 15.721 0.000) 15.721 6.773 ( 0.000 -3.826 -0.000) 3.826 7.402 ( -0.000 0.102 -0.000) 0.102 7.722 ( 0.000 12.388 0.000) 12.388 7.883 ( 0.000 6.936 -0.000) 6.936 8.512 ( 0.000 6.421 0.000) 6.421 8.834 ( 0.000 -8.241 -0.000) 8.241 9.214 ( 0.000 -0.117 0.000) 0.117 9.575 ( 0.000 -6.043 -0.000) 6.043 10.143 ( 0.000 16.218 -0.000) 16.218 10.656 ( 0.000 14.736 0.000) 14.736 11.303 ( 0.000 12.931 -0.000) 12.931 12.587 ( 0.000 -20.501 -0.000) 20.501 12.962 ( 0.000 -9.249 0.000) 9.249 13.064 ( 0.000 -18.471 -0.000) 18.471 13.569 ( -0.000 8.346 -0.000) 8.346 13.612 ( 0.000 -19.740 0.000) 19.740 14.493 ( 0.000 -8.353 -0.000) 8.353 15.383 ( 0.000 3.897 -0.000) 3.897 16.703 ( 0.000 29.160 0.000) 29.160 17.533 ( 0.000 0.935 -0.000) 0.935 18.325 ( 0.000 1.586 -0.000) 1.586 18.819 ( 0.000 3.129 0.000) 3.129 19.494 ( 0.000 -14.240 0.000) 14.240 23.110 ( 0.000 -13.855 0.000) 13.855 24.159 ( 0.000 -11.282 -0.000) 11.282 24.395 ( 0.000 1.070 0.000) 1.070 ======================= Grid point 33 (19/260) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( 0.000 20.837 0.000) 20.837 1.880 ( 0.000 21.780 0.000) 21.780 3.123 ( 0.000 34.873 0.000) 34.873 3.277 ( 0.000 -3.929 0.000) 3.929 4.072 ( 0.000 -14.955 0.000) 14.955 4.653 ( 0.000 20.471 0.000) 20.471 5.499 ( 0.000 7.429 0.000) 7.429 5.813 ( 0.000 -0.501 0.000) 0.501 6.703 ( 0.000 -8.357 0.000) 8.357 6.858 ( 0.000 9.780 0.000) 9.780 7.277 ( 0.000 18.026 0.000) 18.026 7.556 ( 0.000 15.663 0.000) 15.663 7.793 ( 0.000 -14.287 0.000) 14.287 8.301 ( 0.000 3.971 0.000) 3.971 8.441 ( 0.000 -5.640 0.000) 5.640 9.072 ( 0.000 9.729 0.000) 9.729 9.117 ( 0.000 -13.537 0.000) 13.537 10.160 ( 0.000 -16.514 0.000) 16.514 10.696 ( 0.000 9.043 0.000) 9.043 10.797 ( 0.000 12.300 0.000) 12.300 11.283 ( 0.000 5.006 0.000) 5.006 11.511 ( 0.000 -12.460 0.000) 12.460 12.469 ( 0.000 -0.958 0.000) 0.958 13.529 ( 0.000 -0.164 0.000) 0.164 13.852 ( 0.000 -7.977 0.000) 7.977 14.157 ( 0.000 -4.431 0.000) 4.431 15.134 ( 0.000 1.751 0.000) 1.751 15.730 ( 0.000 5.648 0.000) 5.648 16.500 ( 0.000 -17.296 0.000) 17.296 18.175 ( 0.000 1.872 0.000) 1.872 18.678 ( 0.000 0.686 0.000) 0.686 19.564 ( 0.000 15.779 0.000) 15.779 19.665 ( 0.000 -1.587 0.000) 1.587 20.512 ( 0.000 -6.586 0.000) 6.586 24.339 ( 0.000 0.514 0.000) 0.514 24.494 ( 0.000 -0.998 0.000) 0.998 ======================= Grid point 34 (20/260) ======================= q-point: ( 0.10 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( 9.175 17.621 7.542) 21.250 1.882 ( 1.401 24.068 9.570) 25.938 3.140 ( 2.437 17.837 -1.523) 18.067 3.351 ( 5.819 3.678 3.211) 7.596 4.177 ( 9.266 -13.727 -9.784) 19.236 4.622 ( -2.653 19.360 -1.262) 19.581 5.536 ( 3.079 7.375 -0.914) 8.044 5.951 ( 11.214 -4.921 -5.129) 13.277 6.606 ( -6.404 -0.100 6.528) 9.145 6.784 ( -6.211 1.754 9.451) 11.445 7.273 ( -1.279 17.228 1.321) 17.326 7.605 ( 2.128 12.014 -5.677) 13.457 7.831 ( 3.429 -9.665 3.286) 10.769 8.142 ( -10.866 1.305 -0.112) 10.944 8.466 ( 0.767 -3.451 -9.192) 9.848 9.031 ( -0.873 -6.144 -5.043) 7.997 9.158 ( -0.071 5.251 10.021) 11.314 10.167 ( -0.900 -14.796 0.349) 14.827 10.469 ( -7.470 16.154 -15.983) 23.920 11.039 ( 6.354 6.030 23.375) 24.963 11.329 ( 7.323 3.839 6.184) 10.325 11.593 ( 7.481 -12.858 -4.547) 15.555 12.463 ( -0.904 0.202 -1.527) 1.786 13.451 ( -8.411 2.612 4.296) 9.799 13.872 ( -0.166 -7.595 -0.413) 7.608 13.951 ( -10.677 -5.013 10.462) 15.766 15.307 ( 9.850 1.048 -12.315) 15.804 15.859 ( 10.984 4.397 -19.744) 23.018 16.038 ( -36.423 -8.882 1.133) 37.507 17.938 ( -12.853 -1.530 -4.631) 13.747 18.635 ( -3.531 1.650 3.281) 5.094 19.464 ( -8.841 4.340 -18.814) 21.236 19.679 ( -1.639 5.748 22.444) 23.226 21.084 ( 41.999 -12.804 14.804) 46.336 24.338 ( -0.087 0.453 -0.135) 0.481 24.467 ( -2.578 -1.383 -0.996) 3.091 ======================= Grid point 35 (21/260) ======================= q-point: ( 0.20 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.833 ( 5.036 19.709 7.633) 21.728 2.070 ( 15.141 14.113 12.942) 24.411 3.203 ( 2.229 0.872 2.232) 3.273 3.499 ( 8.233 3.237 2.062) 9.084 4.362 ( 4.419 -3.701 -9.732) 11.311 4.594 ( 4.151 7.379 -5.540) 10.118 5.598 ( 2.581 5.894 -5.052) 8.181 6.154 ( 6.335 -6.308 -11.812) 14.813 6.494 ( -4.819 6.736 8.519) 11.881 6.753 ( 5.164 -2.710 26.716) 27.346 7.203 ( -5.371 11.350 -0.467) 12.565 7.491 ( -12.761 0.826 -1.168) 12.841 7.952 ( 4.471 7.688 3.007) 9.388 7.993 ( 0.722 -4.540 -11.503) 12.388 8.461 ( -0.414 -0.293 -8.064) 8.080 8.997 ( -4.384 -7.732 -3.383) 9.510 9.133 ( -0.559 9.094 9.112) 12.886 10.046 ( -9.640 -4.125 -2.139) 10.702 10.467 ( 5.779 12.837 -11.685) 18.295 11.018 ( -6.494 7.575 25.658) 27.530 11.544 ( 8.072 4.129 7.615) 11.840 11.811 ( 13.806 -15.591 -4.407) 21.287 12.413 ( -3.757 2.472 -3.712) 5.831 13.227 ( -10.273 3.329 8.217) 13.570 13.717 ( -7.731 -8.901 0.674) 11.809 13.991 ( 5.843 -9.461 -2.074) 11.312 15.069 ( -43.282 -3.863 2.013) 43.501 15.441 ( 1.700 1.401 -2.494) 3.328 16.304 ( 24.738 7.253 -31.509) 40.711 17.751 ( -6.134 -4.949 0.477) 7.895 18.543 ( -5.393 4.288 3.189) 7.592 19.232 ( -11.155 -1.918 -14.516) 18.407 19.600 ( -6.779 3.870 23.692) 24.944 21.900 ( 32.535 -16.709 14.012) 39.167 24.327 ( -2.100 0.083 2.423) 3.208 24.393 ( -3.339 -2.188 -4.036) 5.677 ======================= Grid point 36 (22/260) ======================= q-point: ( 0.30 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.978 ( 8.508 12.871 2.832) 15.686 2.403 ( 14.570 4.398 12.041) 19.406 3.197 ( -2.984 -5.029 4.930) 7.648 3.695 ( 10.116 -3.838 -0.386) 10.826 4.293 ( -6.697 8.143 0.564) 10.558 4.841 ( 16.340 -9.379 -14.079) 23.520 5.652 ( 3.389 6.345 -7.419) 10.334 6.105 ( -9.310 -2.592 1.556) 9.789 6.553 ( 8.932 3.945 0.743) 9.793 6.883 ( 0.493 -0.148 26.244) 26.249 7.084 ( -6.106 8.341 -10.186) 14.513 7.238 ( -4.882 -2.080 10.555) 11.814 7.903 ( -3.358 6.279 -11.357) 13.405 8.183 ( 10.148 -1.844 1.891) 10.486 8.438 ( -1.473 5.418 -7.165) 9.103 8.858 ( -6.850 4.557 -4.532) 9.393 9.158 ( 1.657 -5.582 6.366) 8.628 9.815 ( -11.954 -0.992 -1.352) 12.071 10.572 ( 1.640 16.400 -7.354) 18.048 10.887 ( -4.232 8.565 19.396) 21.622 11.622 ( 0.133 9.063 3.190) 9.609 12.122 ( 14.404 -14.299 -2.295) 20.426 12.335 ( -2.302 -3.674 -3.133) 5.349 13.084 ( -4.759 -5.023 4.889) 8.473 13.545 ( -9.422 -10.896 -1.753) 14.511 14.108 ( 2.711 -12.207 -1.601) 12.607 14.293 ( -27.041 -1.348 4.926) 27.519 15.466 ( 0.594 3.846 1.123) 4.051 16.793 ( 22.482 14.238 -32.428) 41.949 17.647 ( -4.271 -3.495 2.412) 6.023 18.424 ( -5.629 6.041 4.480) 9.394 19.031 ( -7.018 -5.208 -10.199) 13.431 19.435 ( -9.690 -2.283 22.143) 24.278 22.436 ( 19.179 -15.714 9.966) 26.722 24.203 ( -8.381 -4.343 1.094) 9.503 24.379 ( 0.976 0.065 -2.691) 2.863 ======================= Grid point 37 (23/260) ======================= q-point: ( 0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.155 ( 7.449 1.481 -1.613) 7.764 2.638 ( 6.709 -4.821 9.073) 12.270 3.117 ( -3.595 -2.222 3.482) 5.476 3.888 ( 7.707 -9.108 -2.385) 12.168 4.165 ( -5.046 7.591 3.066) 9.617 5.194 ( 17.728 -11.402 -12.324) 24.416 5.720 ( 2.357 8.270 -5.233) 10.066 5.873 ( -12.198 -9.101 7.104) 16.795 6.656 ( -1.272 6.626 5.374) 8.626 6.805 ( -6.441 -2.434 -2.222) 7.236 6.997 ( 3.085 5.544 1.919) 6.628 7.353 ( 8.992 8.871 12.545) 17.803 7.827 ( -3.042 2.709 -4.783) 6.283 8.241 ( -5.730 8.182 -7.915) 12.744 8.503 ( 8.840 0.843 1.742) 9.050 8.753 ( -2.874 6.090 -3.178) 7.446 9.184 ( -0.136 -11.089 2.923) 11.469 9.579 ( -9.307 -0.088 -1.258) 9.392 10.486 ( -6.493 13.386 4.241) 15.470 10.923 ( 4.435 14.353 1.117) 15.064 11.596 ( -1.950 13.184 1.898) 13.462 12.231 ( -1.951 -11.526 -2.319) 11.918 12.469 ( 13.249 -15.649 -2.239) 20.626 12.963 ( -8.497 -13.610 3.616) 16.447 13.349 ( -7.327 -10.588 -1.080) 12.921 13.830 ( -12.032 2.621 5.363) 13.432 14.239 ( 3.478 -11.778 -2.084) 12.457 15.473 ( 0.088 4.774 1.291) 4.947 17.159 ( 13.196 23.842 -22.929) 35.614 17.571 ( -3.171 -0.729 2.550) 4.134 18.352 ( -0.852 3.806 3.464) 5.216 18.920 ( -3.896 -2.747 -4.615) 6.635 19.251 ( -7.817 -11.564 14.674) 20.253 22.741 ( 10.067 -13.127 5.355) 17.388 24.027 ( -7.544 -8.179 -0.134) 11.128 24.402 ( 1.057 0.671 -1.080) 1.653 ======================= Grid point 38 (24/260) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.241 ( -0.000 -5.127 0.000) 5.127 2.699 ( 0.000 -9.675 0.000) 9.675 3.083 ( 0.000 2.175 0.000) 2.175 3.980 ( 0.000 -13.005 -0.000) 13.005 4.104 ( -0.000 9.715 0.000) 9.715 5.518 ( -0.000 -0.490 0.000) 0.490 5.581 ( 0.000 -20.656 -0.000) 20.656 5.775 ( 0.000 6.049 0.000) 6.049 6.625 ( 0.000 3.268 -0.000) 3.268 6.722 ( 0.000 -1.328 -0.000) 1.328 7.059 ( 0.000 12.555 0.000) 12.555 7.484 ( 0.000 8.546 -0.000) 8.546 7.789 ( 0.000 -0.629 0.000) 0.629 8.139 ( 0.000 13.888 0.000) 13.888 8.628 ( 0.000 5.151 -0.000) 5.151 8.725 ( 0.000 -3.391 -0.000) 3.391 9.161 ( 0.000 -7.214 -0.000) 7.214 9.481 ( 0.000 -1.752 0.000) 1.752 10.410 ( 0.000 10.590 0.000) 10.590 10.980 ( 0.000 17.495 0.000) 17.495 11.571 ( 0.000 13.780 -0.000) 13.780 12.201 ( 0.000 -17.429 0.000) 17.429 12.720 ( 0.000 -16.828 -0.000) 16.828 12.756 ( 0.000 -11.341 0.000) 11.341 13.277 ( 0.000 -12.564 0.000) 12.564 13.713 ( 0.000 5.890 0.000) 5.890 14.277 ( 0.000 -12.684 -0.000) 12.684 15.474 ( 0.000 5.020 -0.000) 5.020 17.295 ( -0.000 30.345 0.000) 30.345 17.531 ( 0.000 -0.985 -0.000) 0.985 18.361 ( 0.000 1.939 -0.000) 1.939 18.868 ( 0.000 0.680 0.000) 0.680 19.169 ( 0.000 -17.680 0.000) 17.680 22.852 ( 0.000 -11.447 0.000) 11.447 23.938 ( 0.000 -10.330 -0.000) 10.330 24.414 ( 0.000 0.818 0.000) 0.818 ======================= Grid point 44 (25/260) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.876 ( 0.000 8.859 0.000) 8.859 2.183 ( 0.000 8.301 0.000) 8.301 3.212 ( 0.000 -2.060 0.000) 2.060 3.598 ( 0.000 12.688 0.000) 12.688 3.845 ( 0.000 -6.873 0.000) 6.873 4.967 ( 0.000 9.435 0.000) 9.435 5.620 ( 0.000 4.221 0.000) 4.221 5.781 ( 0.000 -2.056 0.000) 2.056 6.590 ( 0.000 -2.768 0.000) 2.768 7.009 ( 0.000 4.495 0.000) 4.495 7.539 ( 0.000 -8.635 0.000) 8.635 7.567 ( 0.000 9.490 0.000) 9.490 7.780 ( 0.000 6.462 0.000) 6.462 8.314 ( 0.000 -5.592 0.000) 5.592 8.394 ( 0.000 3.909 0.000) 3.909 8.902 ( 0.000 -7.022 0.000) 7.022 9.273 ( 0.000 8.942 0.000) 8.942 9.861 ( 0.000 -11.689 0.000) 11.689 10.932 ( 0.000 14.484 0.000) 14.484 11.012 ( 0.000 7.781 0.000) 7.781 11.233 ( 0.000 -15.430 0.000) 15.430 11.317 ( 0.000 -0.772 0.000) 0.772 12.453 ( 0.000 -0.527 0.000) 0.527 13.520 ( 0.000 -0.430 0.000) 0.430 13.737 ( 0.000 -3.256 0.000) 3.256 14.099 ( 0.000 -1.429 0.000) 1.429 15.172 ( 0.000 1.460 0.000) 1.460 15.808 ( 0.000 2.164 0.000) 2.164 16.250 ( 0.000 -7.173 0.000) 7.173 18.201 ( 0.000 0.704 0.000) 0.704 18.688 ( 0.000 0.291 0.000) 0.291 19.642 ( 0.000 -0.643 0.000) 0.643 19.803 ( 0.000 7.438 0.000) 7.438 20.396 ( 0.000 -4.221 0.000) 4.221 24.348 ( 0.000 0.313 0.000) 0.313 24.477 ( 0.000 -0.529 0.000) 0.529 ======================= Grid point 45 (26/260) ======================= q-point: ( 0.10 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.944 ( 5.998 7.503 4.583) 10.643 2.230 ( 4.002 9.987 4.707) 11.744 3.208 ( -0.767 -1.190 4.971) 5.169 3.534 ( -3.577 5.464 16.272) 17.534 3.996 ( 12.073 -3.673 -23.920) 27.044 4.914 ( -4.973 8.553 -2.733) 10.265 5.677 ( 3.136 7.193 -6.023) 9.892 5.822 ( 5.516 -7.482 -9.187) 13.069 6.595 ( 3.114 0.035 12.083) 12.478 6.843 ( -13.530 1.922 9.345) 16.556 7.526 ( -5.995 7.020 8.958) 12.863 7.620 ( 3.338 -5.918 -2.357) 7.191 7.838 ( 5.840 8.617 -3.158) 10.878 8.148 ( -10.724 -4.220 -6.330) 13.149 8.435 ( 2.611 2.452 0.591) 3.630 8.845 ( -3.391 -7.869 -6.940) 11.027 9.369 ( 4.896 10.720 7.452) 13.944 9.877 ( 0.800 -12.259 -0.745) 12.307 10.790 ( -4.586 14.572 -10.753) 18.682 11.130 ( 3.390 -0.219 20.769) 21.045 11.343 ( 3.380 -4.421 -8.660) 10.294 11.366 ( 10.710 -4.168 7.547) 13.749 12.466 ( 0.982 0.109 -1.544) 1.833 13.471 ( -5.393 0.107 0.291) 5.402 13.764 ( 2.280 -3.007 -0.954) 3.892 13.881 ( -16.156 -1.907 10.794) 19.524 15.332 ( 10.437 1.058 -11.974) 15.919 15.869 ( -31.041 -2.966 0.006) 31.183 15.956 ( 11.893 0.683 -13.654) 18.120 17.915 ( -17.355 -0.687 -3.347) 17.688 18.660 ( -1.985 0.736 3.180) 3.820 19.496 ( -11.715 0.320 -14.150) 18.373 19.789 ( -3.806 3.712 21.464) 22.112 20.916 ( 38.485 -4.388 9.376) 39.853 24.347 ( 0.043 0.335 -2.252) 2.277 24.445 ( -3.228 -0.720 -0.454) 3.338 ======================= Grid point 46 (27/260) ======================= q-point: ( 0.20 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.102 ( 8.119 6.948 6.122) 12.316 2.334 ( 5.054 9.729 7.850) 13.484 3.179 ( -2.299 -1.507 6.350) 6.919 3.514 ( 1.112 -1.374 13.058) 13.177 4.265 ( 14.381 -2.403 -24.599) 28.595 4.760 ( -9.109 5.040 -4.702) 11.423 5.684 ( 0.489 2.764 -14.758) 15.022 6.046 ( 13.797 -3.490 -7.445) 16.061 6.541 ( -13.948 -0.886 13.558) 19.472 6.787 ( 12.626 3.826 22.139) 25.772 7.332 ( -11.054 2.053 8.703) 14.218 7.496 ( -15.295 -0.210 3.005) 15.589 7.942 ( 4.203 1.810 -14.611) 15.311 8.086 ( 4.921 0.913 -8.645) 9.990 8.500 ( 3.073 6.728 3.569) 8.212 8.777 ( -2.674 -12.032 -0.923) 12.360 9.386 ( -3.783 12.655 3.367) 13.630 9.845 ( -4.459 -11.400 -2.294) 12.454 10.801 ( 5.802 15.516 -7.609) 18.229 11.133 ( -4.793 3.241 28.085) 28.674 11.494 ( 11.879 -13.949 -11.894) 21.844 11.591 ( 9.455 0.956 6.738) 11.650 12.464 ( -2.020 1.925 -3.847) 4.752 13.256 ( -14.689 0.307 7.289) 16.401 13.592 ( -9.812 -3.426 -1.094) 10.450 13.843 ( 4.152 -4.546 -1.505) 6.338 15.021 ( -42.186 -1.152 4.796) 42.473 15.477 ( 4.059 1.425 -1.452) 4.540 16.408 ( 28.038 2.964 -33.762) 43.986 17.663 ( -7.306 -2.887 1.130) 7.937 18.617 ( -2.195 2.417 1.551) 3.614 19.196 ( -15.276 -1.273 -11.140) 18.949 19.654 ( -10.157 1.474 26.451) 28.373 21.683 ( 31.764 -5.493 10.664) 33.954 24.328 ( -6.085 0.065 -0.352) 6.095 24.361 ( -0.366 -0.904 -3.494) 3.627 ======================= Grid point 47 (28/260) ======================= q-point: ( 0.30 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.243 ( 3.681 12.270 5.292) 13.861 2.428 ( 3.648 -2.949 8.392) 9.614 3.129 ( -2.057 -1.414 4.954) 5.547 3.591 ( 5.364 -4.732 7.687) 10.500 4.466 ( -1.808 9.832 -8.800) 13.319 4.663 ( 8.948 -9.597 -15.670) 20.438 5.733 ( 4.546 2.203 -12.448) 13.434 6.083 ( -13.052 -0.272 4.876) 13.936 6.543 ( 15.407 -2.328 3.719) 16.020 6.919 ( -6.650 2.199 17.421) 18.777 7.149 ( -15.033 0.118 -3.527) 15.442 7.277 ( 10.381 3.338 12.526) 16.607 7.975 ( -1.497 0.536 -7.107) 7.282 8.213 ( 6.676 3.419 -7.003) 10.262 8.538 ( 0.394 6.767 -0.040) 6.778 8.761 ( 1.442 -11.521 0.464) 11.620 9.242 ( -9.330 9.244 2.352) 13.343 9.704 ( -8.063 -7.242 -3.755) 11.470 10.911 ( -5.060 13.361 6.215) 15.580 11.026 ( 2.628 4.981 10.550) 11.959 11.726 ( 6.033 1.694 0.772) 6.314 11.817 ( 15.796 -12.726 -3.915) 20.659 12.341 ( -9.698 2.285 -6.060) 11.661 12.965 ( -12.532 -5.129 8.143) 15.801 13.409 ( -8.558 -3.032 -5.694) 10.717 13.924 ( 2.924 -5.501 -1.364) 6.377 14.292 ( -25.677 0.418 7.734) 26.820 15.531 ( 1.468 2.065 2.621) 3.645 17.002 ( 29.416 6.193 -40.174) 50.176 17.566 ( -2.814 -3.237 2.420) 4.925 18.568 ( -2.895 6.847 1.759) 7.639 18.899 ( -11.807 -6.595 -3.499) 13.970 19.410 ( -14.110 -0.518 25.985) 29.574 22.224 ( 20.217 -5.597 8.727) 22.721 24.140 ( -10.822 -1.809 -1.361) 11.056 24.382 ( 1.535 0.115 -2.341) 2.802 ======================= Grid point 48 (29/260) ======================= q-point: ( 0.40 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.226 ( -4.159 4.429 3.526) 7.025 2.511 ( 3.552 -6.327 5.168) 8.909 3.118 ( 0.526 1.303 2.559) 2.919 3.712 ( 5.051 -6.267 2.917) 8.561 4.355 ( -4.471 8.742 -1.617) 9.951 4.966 ( 16.698 -9.626 -14.962) 24.399 5.761 ( -16.335 -2.411 9.676) 19.139 5.826 ( 3.885 2.410 -7.118) 8.459 6.731 ( -6.386 1.599 6.175) 9.026 6.775 ( -3.194 -0.819 -1.086) 3.471 7.045 ( 10.581 0.873 -2.736) 10.964 7.545 ( 10.791 7.113 12.376) 17.894 7.876 ( -6.884 1.679 2.328) 7.458 8.321 ( 3.109 1.363 -7.052) 7.826 8.568 ( 4.079 4.643 -4.841) 7.850 8.796 ( 0.176 -4.352 0.527) 4.387 9.041 ( -8.834 -0.733 4.380) 9.887 9.551 ( -5.400 -1.761 -4.267) 7.103 10.679 ( -11.557 5.314 10.012) 16.188 11.188 ( 7.778 10.025 -0.558) 12.701 11.797 ( 1.409 6.051 1.277) 6.343 12.089 ( -9.907 -2.163 -5.217) 11.404 12.172 ( 14.962 -12.022 -5.450) 19.952 12.739 ( -10.206 -7.583 8.910) 15.525 13.233 ( -7.264 -1.955 -5.099) 9.088 13.869 ( -7.292 0.620 4.282) 8.478 14.051 ( -0.130 -5.622 0.809) 5.681 15.550 ( 0.408 2.395 2.270) 3.325 17.496 ( 7.267 5.701 -9.450) 13.214 17.578 ( 14.949 4.584 -26.245) 30.550 18.479 ( -5.873 9.831 8.680) 14.369 18.735 ( -4.040 -14.379 2.209) 15.098 19.129 ( -12.603 -1.632 17.429) 21.570 22.559 ( 11.749 -4.935 5.330) 13.813 23.910 ( -9.997 -3.279 -1.642) 10.649 24.411 ( 1.226 0.265 -1.072) 1.650 ======================= Grid point 49 (30/260) ======================= q-point: (-0.50 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.167 ( 0.000 -2.087 0.000) 2.087 2.553 ( 0.000 -4.274 0.000) 4.274 3.129 ( 0.000 1.952 0.000) 1.952 3.771 ( 0.000 -6.713 -0.000) 6.713 4.308 ( 0.000 8.485 -0.000) 8.485 5.226 ( -0.000 -12.551 0.000) 12.551 5.504 ( 0.000 -0.330 -0.000) 0.330 5.869 ( 0.000 2.453 0.000) 2.453 6.654 ( 0.000 0.322 -0.000) 0.322 6.714 ( 0.000 0.134 -0.000) 0.134 7.227 ( 0.000 4.425 0.000) 4.425 7.671 ( 0.000 7.300 -0.000) 7.300 7.772 ( -0.000 -0.625 0.000) 0.625 8.341 ( 0.000 5.869 0.000) 5.869 8.680 ( 0.000 -1.367 -0.000) 1.367 8.732 ( 0.000 6.391 -0.000) 6.391 8.948 ( 0.000 -11.913 -0.000) 11.913 9.495 ( 0.000 1.355 0.000) 1.355 10.545 ( 0.000 3.328 0.000) 3.328 11.283 ( 0.000 10.780 -0.000) 10.780 11.801 ( 0.000 7.868 -0.000) 7.868 11.956 ( 0.000 -6.638 0.000) 6.638 12.429 ( -0.000 -10.429 0.000) 10.429 12.557 ( 0.000 -7.127 -0.000) 7.127 13.147 ( 0.000 -1.918 0.000) 1.918 13.791 ( 0.000 1.987 -0.000) 1.987 14.062 ( 0.000 -7.165 -0.000) 7.165 15.554 ( 0.000 2.472 0.000) 2.472 17.509 ( 0.000 -0.876 -0.000) 0.876 17.832 ( 0.000 21.078 0.000) 21.078 18.391 ( 0.000 0.878 -0.000) 0.878 18.698 ( 0.000 -15.284 0.000) 15.284 18.984 ( 0.000 -0.925 0.000) 0.925 22.692 ( 0.000 -4.335 0.000) 4.335 23.789 ( 0.000 -4.183 -0.000) 4.183 24.425 ( 0.000 0.299 0.000) 0.299 ======================= Grid point 99 (31/260) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.643 ( -16.993 0.000 32.562) 36.729 0.759 ( 11.245 0.000 38.150) 39.772 1.258 ( 9.792 0.000 61.633) 62.406 3.544 ( 5.831 0.000 12.581) 13.866 3.829 ( 0.666 0.000 3.290) 3.357 4.789 ( -4.720 0.000 -4.834) 6.756 5.307 ( 24.919 0.000 -1.065) 24.942 5.581 ( 9.209 0.000 -10.785) 14.182 6.361 ( 13.032 0.000 -16.632) 21.129 6.437 ( -6.453 0.000 -12.551) 14.112 6.709 ( -9.898 0.000 1.613) 10.029 7.321 ( -5.994 0.000 21.341) 22.166 7.924 ( -2.822 0.000 4.372) 5.203 8.540 ( 8.768 0.000 -4.693) 9.945 8.679 ( -2.285 0.000 9.280) 9.557 8.738 ( -5.850 0.000 2.981) 6.566 9.770 ( -0.794 0.000 1.376) 1.588 10.092 ( -35.562 0.000 -4.657) 35.865 10.669 ( 6.085 0.000 -7.517) 9.671 10.759 ( 1.815 0.000 -1.196) 2.174 11.846 ( -1.593 0.000 -1.984) 2.544 12.120 ( 111.805 0.000 -2.676) 111.837 12.376 ( 1.814 0.000 2.213) 2.862 12.490 ( 14.786 0.000 0.658) 14.801 13.825 ( -6.792 0.000 -5.992) 9.057 14.261 ( -3.858 0.000 3.671) 5.325 15.358 ( -7.663 0.000 -0.430) 7.675 15.804 ( 3.377 0.000 -20.245) 20.525 16.902 (-166.321 0.000 2.599) 166.341 18.071 ( 16.202 0.000 -10.369) 19.236 18.659 ( 2.546 0.000 -0.801) 2.669 18.718 ( -13.956 0.000 3.034) 14.282 19.954 ( 0.002 0.000 20.610) 20.610 22.998 ( 107.750 0.000 -3.938) 107.822 23.039 ( 1.822 0.000 3.507) 3.951 24.485 ( -2.029 0.000 -4.010) 4.494 ======================= Grid point 100 (32/260) ======================= q-point: ( 0.10 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.728 ( 21.709 0.000 17.920) 28.149 1.160 ( 26.312 0.000 25.164) 36.408 1.925 ( 40.122 0.000 41.794) 57.935 3.670 ( 4.991 0.000 17.062) 17.777 3.846 ( 1.826 0.000 5.306) 5.612 4.761 ( 2.358 0.000 -8.967) 9.272 5.665 ( 10.898 0.000 2.342) 11.147 5.742 ( 6.373 0.000 -4.143) 7.602 6.293 ( -6.285 0.000 -20.116) 21.075 6.389 ( 0.485 0.000 -2.930) 2.970 7.055 ( 21.978 0.000 -29.781) 37.013 7.161 ( -9.932 0.000 17.490) 20.114 7.841 ( -4.917 0.000 0.896) 4.998 8.577 ( -7.445 0.000 0.836) 7.492 8.608 ( -4.575 0.000 7.196) 8.527 8.726 ( 7.333 0.000 1.013) 7.402 9.471 ( -20.898 0.000 28.785) 35.571 9.631 ( -11.800 0.000 0.148) 11.801 10.737 ( -3.799 0.000 1.291) 4.012 10.810 ( 6.752 0.000 -2.748) 7.289 11.902 ( 6.497 0.000 -1.987) 6.794 12.136 ( -27.088 0.000 -1.724) 27.143 12.465 ( 6.911 0.000 3.497) 7.746 13.335 ( -28.277 0.000 34.382) 44.516 14.221 ( -0.038 0.000 -0.164) 0.168 14.243 ( 30.742 0.000 -37.232) 48.283 14.463 ( 0.676 0.000 2.293) 2.390 15.430 ( -5.003 0.000 11.228) 12.292 15.746 ( -8.263 0.000 -16.368) 18.335 18.159 ( -10.285 0.000 6.926) 12.399 18.640 ( 9.348 0.000 -11.584) 14.885 18.671 ( -0.884 0.000 0.771) 1.173 19.887 ( -6.751 0.000 18.896) 20.066 23.142 ( 7.206 0.000 5.169) 8.868 24.420 ( -2.068 0.000 -8.371) 8.623 24.453 ( 22.264 0.000 -25.066) 33.526 ======================= Grid point 101 (33/260) ======================= q-point: ( 0.20 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( 30.721 0.000 6.296) 31.359 1.740 ( 26.168 0.000 15.391) 30.358 2.781 ( 38.479 0.000 16.783) 41.980 3.750 ( 1.400 0.000 18.364) 18.417 3.928 ( 5.733 0.000 9.560) 11.147 4.857 ( 6.357 0.000 -10.534) 12.303 5.843 ( 3.583 0.000 0.382) 3.603 5.885 ( 10.582 0.000 4.235) 11.398 6.175 ( -3.176 0.000 -27.654) 27.836 6.421 ( 1.785 0.000 -1.364) 2.246 6.954 ( -10.006 0.000 14.933) 17.976 7.352 ( 5.958 0.000 -12.016) 13.412 7.776 ( 1.535 0.000 -8.278) 8.419 8.395 ( -10.082 0.000 9.279) 13.702 8.534 ( -1.563 0.000 3.640) 3.961 8.878 ( 6.185 0.000 -5.180) 8.068 9.228 ( -5.750 0.000 25.958) 26.587 9.325 ( -15.746 0.000 0.959) 15.775 10.599 ( -9.870 0.000 4.307) 10.769 10.927 ( 4.481 0.000 -0.688) 4.533 11.485 ( -29.852 0.000 3.351) 30.039 12.089 ( 11.242 0.000 -0.399) 11.249 12.670 ( 12.151 0.000 3.673) 12.694 13.059 ( -3.293 0.000 20.743) 21.003 14.180 ( -1.556 0.000 -5.912) 6.114 14.249 ( 2.342 0.000 -3.733) 4.407 15.146 ( 24.396 0.000 -37.086) 44.390 15.383 ( -0.141 0.000 7.374) 7.375 15.442 ( -19.998 0.000 -10.198) 22.448 17.892 ( -12.703 0.000 8.860) 15.487 18.619 ( -4.251 0.000 1.543) 4.522 18.839 ( 6.649 0.000 -15.989) 17.317 19.751 ( -5.412 0.000 18.432) 19.210 23.308 ( 7.607 0.000 6.082) 9.739 24.329 ( -4.466 0.000 -9.607) 10.594 24.611 ( 0.235 0.000 -4.175) 4.182 ======================= Grid point 102 (34/260) ======================= q-point: ( 0.30 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.946 ( 28.852 0.000 2.968) 29.005 2.220 ( 18.694 0.000 10.156) 21.275 3.469 ( 25.881 0.000 -4.896) 26.340 3.732 ( -4.384 0.000 18.043) 18.567 4.097 ( 9.887 0.000 14.775) 17.778 4.972 ( 4.525 0.000 -7.134) 8.449 5.876 ( -1.204 0.000 -10.713) 10.781 6.079 ( 6.436 0.000 -9.138) 11.177 6.189 ( 7.684 0.000 -24.249) 25.438 6.468 ( 3.395 0.000 8.680) 9.320 6.791 ( -5.915 0.000 15.779) 16.851 7.299 ( -6.977 0.000 5.178) 8.688 7.880 ( 4.401 0.000 -0.701) 4.457 8.161 ( -13.071 0.000 14.852) 19.784 8.610 ( 10.177 0.000 -5.168) 11.414 8.805 ( -14.576 0.000 -13.879) 20.127 9.183 ( 4.504 0.000 6.154) 7.626 9.218 ( 3.598 0.000 13.402) 13.877 10.316 ( -17.899 0.000 6.788) 19.143 10.958 ( -20.783 0.000 -0.635) 20.792 10.994 ( 1.921 0.000 -0.322) 1.948 12.373 ( 16.341 0.000 0.885) 16.365 12.940 ( 12.589 0.000 2.220) 12.783 13.075 ( 2.550 0.000 9.770) 10.097 14.152 ( -1.486 0.000 -8.420) 8.550 14.280 ( -0.737 0.000 -7.882) 7.917 14.948 ( -24.811 0.000 -1.208) 24.841 15.316 ( -0.004 0.000 -3.336) 3.336 15.578 ( 13.868 0.000 -12.322) 18.551 17.667 ( -9.389 0.000 2.439) 9.701 18.501 ( -6.785 0.000 1.244) 6.898 18.852 ( -3.838 0.000 -10.860) 11.519 19.734 ( 2.764 0.000 13.881) 14.153 23.440 ( 4.488 0.000 6.101) 7.574 24.235 ( -3.920 0.000 -13.195) 13.765 24.581 ( -2.152 0.000 0.889) 2.329 ======================= Grid point 103 (35/260) ======================= q-point: ( 0.40 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.496 ( 23.521 0.000 1.231) 23.553 2.506 ( 7.924 0.000 5.303) 9.535 3.578 ( -11.339 0.000 17.618) 20.951 3.831 ( 10.157 0.000 -10.693) 14.748 4.326 ( 9.743 0.000 8.635) 13.019 5.038 ( 2.353 0.000 -2.192) 3.216 5.789 ( -5.268 0.000 -23.686) 24.265 6.093 ( -3.971 0.000 -25.404) 25.712 6.461 ( 17.710 0.000 -16.086) 23.925 6.540 ( -0.209 0.000 14.750) 14.752 6.728 ( -1.125 0.000 15.902) 15.942 7.212 ( 0.929 0.000 16.303) 16.330 7.881 ( -13.750 0.000 14.595) 20.052 7.907 ( -0.483 0.000 9.704) 9.716 8.470 ( -14.566 0.000 -10.846) 18.160 8.913 ( 16.678 0.000 -4.445) 17.261 9.325 ( 6.658 0.000 4.407) 7.985 9.384 ( 10.863 0.000 -2.879) 11.238 9.889 ( -21.009 0.000 8.822) 22.786 10.608 ( -13.482 0.000 2.161) 13.654 11.008 ( -0.427 0.000 -0.988) 1.076 12.774 ( 21.980 0.000 -0.968) 22.001 13.129 ( 1.348 0.000 3.592) 3.837 13.152 ( 6.735 0.000 0.008) 6.735 14.045 ( -23.327 0.000 -8.643) 24.876 14.105 ( -2.248 0.000 -8.273) 8.573 14.611 ( -4.591 0.000 5.285) 7.000 15.318 ( 0.632 0.000 -0.002) 0.632 15.815 ( 9.495 0.000 -6.072) 11.270 17.489 ( -7.888 0.000 -6.387) 10.150 18.362 ( -5.803 0.000 -0.008) 5.803 18.748 ( -4.053 0.000 -4.788) 6.274 19.830 ( 4.682 0.000 10.798) 11.769 23.498 ( 0.840 0.000 5.253) 5.320 24.150 ( -3.626 0.000 -17.061) 17.442 24.541 ( -1.537 0.000 1.502) 2.149 ======================= Grid point 104 (36/260) ======================= q-point: (-0.50 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.538 ( -5.220 0.000 0.697) 5.267 2.916 ( 16.692 0.000 -0.710) 16.707 3.285 ( -17.491 0.000 17.984) 25.087 3.936 ( 1.263 0.000 -8.074) 8.172 4.434 ( -0.940 0.000 -1.084) 1.435 5.070 ( 0.559 0.000 -1.191) 1.316 5.665 ( -4.919 0.000 -25.725) 26.191 5.910 ( -11.544 0.000 -29.604) 31.775 6.431 ( -9.082 0.000 9.528) 13.163 6.692 ( 0.015 0.000 21.188) 21.188 6.895 ( 19.926 0.000 -16.838) 26.088 7.364 ( 10.381 0.000 23.214) 25.429 7.637 ( -10.058 0.000 11.235) 15.079 7.934 ( 3.400 0.000 12.526) 12.979 8.247 ( -4.939 0.000 -9.184) 10.428 9.163 ( -5.107 0.000 -5.004) 7.150 9.386 ( 0.903 0.000 -4.154) 4.251 9.429 ( 2.776 0.000 5.822) 6.450 9.813 ( 12.241 0.000 9.120) 15.265 10.396 ( -5.793 0.000 4.392) 7.270 10.977 ( -2.528 0.000 -3.005) 3.927 13.100 ( -4.679 0.000 -1.511) 4.916 13.156 ( -5.268 0.000 -0.284) 5.276 13.238 ( 11.068 0.000 -6.628) 12.901 13.564 ( -9.112 0.000 -2.948) 9.577 14.071 ( -0.357 0.000 -8.143) 8.151 14.616 ( 2.174 0.000 4.632) 5.117 15.346 ( 2.001 0.000 2.773) 3.420 15.977 ( 6.694 0.000 -0.406) 6.706 17.333 ( -6.288 0.000 -13.741) 15.112 18.285 ( -1.278 0.000 -1.332) 1.846 18.716 ( 1.483 0.000 -3.218) 3.543 19.913 ( 2.325 0.000 12.786) 12.996 23.487 ( -1.921 0.000 3.710) 4.178 24.060 ( -4.131 0.000 -21.456) 21.850 24.521 ( -0.458 0.000 1.336) 1.413 ======================= Grid point 105 (37/260) ======================= q-point: (-0.40 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.294 ( -17.790 0.000 -3.702) 18.171 2.875 ( -22.565 0.000 18.812) 29.378 3.187 ( 9.403 0.000 -2.084) 9.631 3.887 ( -6.029 0.000 -9.922) 11.610 4.245 ( -17.066 0.000 0.432) 17.072 5.063 ( -0.285 0.000 -6.950) 6.956 5.554 ( -5.292 0.000 -18.902) 19.629 5.634 ( -12.184 0.000 -25.814) 28.545 6.237 ( -8.803 0.000 0.190) 8.805 6.686 ( -0.587 0.000 15.595) 15.606 7.303 ( 18.972 0.000 -7.231) 20.304 7.464 ( -7.168 0.000 12.411) 14.332 7.596 ( 9.993 0.000 20.501) 22.807 8.066 ( 7.990 0.000 15.292) 17.253 8.300 ( 10.468 0.000 -13.595) 17.159 8.773 ( -21.051 0.000 -5.100) 21.660 9.443 ( -1.596 0.000 8.248) 8.401 9.638 ( 11.223 0.000 3.336) 11.708 9.961 ( 2.386 0.000 13.995) 14.197 10.482 ( 13.354 0.000 -4.559) 14.110 10.898 ( -4.784 0.000 -6.818) 8.329 12.797 ( -21.020 0.000 1.338) 21.062 12.942 ( -9.609 0.000 -5.275) 10.962 13.114 ( -11.593 0.000 -2.667) 11.895 13.962 ( 28.529 0.000 -11.519) 30.766 14.071 ( 0.234 0.000 -9.954) 9.957 14.667 ( 2.421 0.000 6.146) 6.606 15.397 ( 2.343 0.000 6.740) 7.135 16.128 ( 8.804 0.000 6.577) 10.989 17.233 ( -2.128 0.000 -17.212) 17.343 18.307 ( 3.217 0.000 -2.352) 3.985 18.801 ( 6.572 0.000 -5.923) 8.847 19.933 ( -1.225 0.000 18.306) 18.347 23.426 ( -4.004 0.000 1.947) 4.452 23.950 ( -5.443 0.000 -27.096) 27.637 24.519 ( 0.089 0.000 1.006) 1.010 ======================= Grid point 106 (38/260) ======================= q-point: (-0.30 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.817 ( -27.025 0.000 -7.730) 28.109 2.369 ( -26.941 0.000 20.887) 34.090 3.317 ( 3.714 0.000 -2.619) 4.545 3.501 ( -34.181 0.000 -4.924) 34.534 3.925 ( -8.412 0.000 3.494) 9.109 5.086 ( 3.566 0.000 -13.367) 13.835 5.397 ( -9.775 0.000 -20.486) 22.698 5.398 ( -9.111 0.000 -10.382) 13.813 6.097 ( -3.817 0.000 -10.306) 10.990 6.686 ( -0.597 0.000 10.233) 10.250 7.362 ( -2.528 0.000 12.145) 12.405 7.684 ( 17.586 0.000 2.196) 17.723 7.785 ( 7.102 0.000 14.935) 16.538 8.164 ( -7.884 0.000 3.140) 8.486 8.448 ( -2.112 0.000 7.481) 7.773 8.598 ( 16.347 0.000 -16.979) 23.569 9.395 ( -2.366 0.000 10.483) 10.747 9.671 ( -4.837 0.000 28.722) 29.126 10.168 ( 14.998 0.000 -2.079) 15.142 10.774 ( 12.310 0.000 -10.620) 16.258 10.777 ( -6.038 0.000 -11.216) 12.738 12.425 ( -14.333 0.000 3.749) 14.816 12.726 ( -10.074 0.000 -6.540) 12.010 12.828 ( -15.012 0.000 -3.368) 15.385 14.051 ( -1.704 0.000 -12.427) 12.543 14.446 ( 11.665 0.000 -4.364) 12.454 14.802 ( 15.966 0.000 -4.681) 16.638 15.437 ( 0.902 0.000 8.676) 8.723 16.400 ( 17.692 0.000 19.370) 26.234 17.243 ( 4.314 0.000 -16.917) 17.458 18.396 ( 4.909 0.000 -3.344) 5.939 18.962 ( 8.560 0.000 -11.215) 14.108 19.885 ( -4.066 0.000 26.255) 26.568 23.324 ( -5.860 0.000 0.693) 5.901 23.789 ( -9.144 0.000 -35.419) 36.580 24.522 ( 0.123 0.000 0.350) 0.371 ======================= Grid point 107 (39/260) ======================= q-point: (-0.20 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( -30.698 0.000 -7.293) 31.553 1.785 ( -29.971 0.000 23.149) 37.870 2.629 ( -46.543 0.000 13.948) 48.588 3.370 ( 2.217 0.000 0.151) 2.222 3.821 ( -2.770 0.000 0.081) 2.771 5.175 ( -10.427 0.000 4.283) 11.273 5.195 ( -8.520 0.000 -15.905) 18.044 5.203 ( 7.113 0.000 -25.202) 26.187 6.071 ( 1.633 0.000 -15.554) 15.640 6.653 ( -3.098 0.000 3.130) 4.404 7.362 ( 1.011 0.000 18.468) 18.496 7.790 ( -22.098 0.000 -12.775) 25.525 7.904 ( 3.699 0.000 10.225) 10.873 8.036 ( 15.821 0.000 0.284) 15.823 8.589 ( 7.634 0.000 15.984) 17.713 8.842 ( 5.377 0.000 -10.567) 11.856 9.435 ( 7.514 0.000 7.691) 10.752 9.654 ( 4.989 0.000 46.400) 46.667 10.464 ( 12.585 0.000 -4.191) 13.264 10.657 ( -4.313 0.000 -13.716) 14.378 10.912 ( 0.346 0.000 -20.833) 20.836 12.180 ( -10.535 0.000 2.468) 10.820 12.535 ( -11.505 0.000 -1.822) 11.649 12.547 ( -6.219 0.000 -4.247) 7.530 13.992 ( -3.142 0.000 -13.029) 13.402 14.474 ( -4.018 0.000 7.088) 8.147 15.257 ( 22.643 0.000 -19.663) 29.989 15.444 ( -0.580 0.000 7.420) 7.443 16.922 ( 32.071 0.000 38.617) 50.198 17.402 ( 11.688 0.000 -14.532) 18.649 18.491 ( 4.153 0.000 -4.739) 6.301 19.092 ( 2.575 0.000 -14.482) 14.709 19.827 ( -1.584 0.000 32.804) 32.842 23.190 ( -6.697 0.000 0.571) 6.721 23.480 ( -20.631 0.000 -49.480) 53.609 24.523 ( -0.118 0.000 -0.714) 0.724 ======================= Grid point 108 (40/260) ======================= q-point: (-0.10 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.662 ( -14.214 0.000 17.292) 22.384 1.165 ( -30.036 0.000 26.642) 40.150 1.689 ( -41.525 0.000 37.528) 55.970 3.434 ( 4.041 0.000 6.005) 7.239 3.800 ( 0.665 0.000 1.293) 1.454 4.948 ( -9.852 0.000 -2.017) 10.057 5.058 ( -1.959 0.000 -6.520) 6.808 5.384 ( 9.948 0.000 -15.910) 18.764 6.142 ( 6.288 0.000 -14.708) 15.996 6.565 ( -5.175 0.000 -5.032) 7.218 7.255 ( -29.073 0.000 -15.716) 33.049 7.382 ( -1.034 0.000 22.447) 22.471 7.949 ( 0.203 0.000 6.663) 6.666 8.327 ( 12.056 0.000 -3.014) 12.427 8.689 ( 1.221 0.000 11.434) 11.499 8.837 ( -3.462 0.000 -1.214) 3.669 9.658 ( 10.351 0.000 2.944) 10.761 10.148 ( 48.207 0.000 66.471) 82.112 10.604 ( 0.343 0.000 -12.640) 12.645 10.661 ( 1.807 0.000 -9.981) 10.143 10.723 ( -13.426 0.000 -21.068) 24.983 11.967 ( -9.202 0.000 -0.754) 9.233 12.385 ( -3.158 0.000 0.952) 3.299 12.476 ( -0.913 0.000 -1.178) 1.491 13.917 ( -3.302 0.000 -11.507) 11.971 14.366 ( -5.929 0.000 6.770) 8.999 15.424 ( -1.651 0.000 4.500) 4.793 15.634 ( 13.954 0.000 -22.001) 26.053 17.705 ( 17.514 0.000 -12.567) 21.557 17.817 ( 47.801 0.000 42.347) 63.860 18.550 ( 1.505 0.000 -8.150) 8.287 18.999 ( -10.518 0.000 -4.868) 11.590 19.882 ( 4.249 0.000 26.959) 27.291 22.746 ( -47.869 0.000 -55.179) 73.050 23.068 ( -4.347 0.000 1.686) 4.662 24.514 ( -0.734 0.000 -2.132) 2.255 ======================= Grid point 109 (41/260) ======================= q-point: ( 0.00 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( 14.983 25.345 18.113) 34.568 1.065 ( 13.203 18.132 34.958) 41.535 1.679 ( -11.271 38.107 40.952) 57.064 3.526 ( 5.138 -1.843 11.675) 12.889 3.934 ( 0.428 10.612 2.553) 10.923 4.654 ( -4.260 -11.761 -4.246) 13.210 5.312 ( 14.618 2.577 5.205) 15.729 5.609 ( 9.034 2.730 -9.565) 13.437 6.432 ( 5.091 7.591 -13.772) 16.529 6.499 ( -7.044 7.735 -9.077) 13.851 6.770 ( 0.286 6.769 -1.985) 7.060 7.323 ( -6.871 -1.762 16.652) 18.100 7.967 ( -0.801 3.826 4.103) 5.667 8.419 ( -2.525 -7.578 8.845) 11.918 8.603 ( 0.966 0.059 -5.410) 5.496 8.956 ( 0.203 7.499 7.097) 10.327 9.671 ( -1.348 -8.562 3.748) 9.443 10.108 ( -28.736 1.243 -11.088) 30.826 10.582 ( 2.993 -7.445 -8.112) 11.410 10.879 ( 4.648 9.760 -1.515) 10.916 11.280 ( 42.524 -25.917 28.623) 57.439 11.834 ( 1.711 -4.236 1.288) 4.746 12.467 ( -1.771 0.881 -2.354) 3.074 13.184 ( 37.106 23.736 -22.039) 49.254 13.896 ( 6.037 5.587 -15.151) 17.239 14.212 ( -3.145 -4.836 4.371) 7.238 15.392 ( -2.374 1.950 0.338) 3.090 15.617 ( -25.580 -10.623 3.086) 27.869 16.912 ( -78.190 -4.853 -16.341) 80.027 18.000 ( 2.657 -2.363 -6.654) 7.544 18.587 ( 0.353 -4.055 -2.712) 4.891 18.894 ( -6.812 12.344 -1.531) 14.182 19.960 ( 0.961 0.807 22.039) 22.075 21.589 ( 51.905 -46.288 45.980) 83.372 24.016 ( 17.772 22.245 -20.453) 35.057 24.479 ( -2.151 -0.533 -3.966) 4.543 ======================= Grid point 110 (42/260) ======================= q-point: ( 0.10 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( 3.403 29.648 22.338) 37.277 1.367 ( 25.298 18.599 16.682) 35.556 2.059 ( 35.132 14.854 33.273) 50.617 3.640 ( 4.793 -2.789 15.647) 16.601 3.944 ( 1.220 9.756 4.398) 10.771 4.645 ( 3.752 -10.563 -8.298) 13.947 5.508 ( 5.413 -3.824 7.578) 10.067 5.923 ( 15.004 3.143 -10.703) 18.696 6.333 ( -7.946 7.361 -12.520) 16.555 6.479 ( 2.359 8.980 -6.499) 11.333 6.984 ( 9.984 1.250 -10.702) 14.689 7.199 ( -1.197 -1.548 6.670) 6.951 7.911 ( -4.245 6.489 3.664) 8.577 8.391 ( -1.372 -8.708 12.479) 15.279 8.539 ( -6.468 -5.274 -3.584) 9.083 8.953 ( -0.083 10.989 3.728) 11.605 9.482 ( -15.048 -4.196 3.799) 16.078 9.668 ( -12.109 7.376 7.693) 16.131 10.611 ( -0.817 -8.616 -4.185) 9.613 10.968 ( 3.886 11.099 2.550) 12.033 11.693 ( 3.255 -15.537 5.760) 16.887 12.040 ( 9.120 -9.103 10.323) 16.511 12.383 ( -3.425 -0.596 -4.148) 5.412 13.448 ( -13.619 4.450 11.904) 18.627 14.178 ( 0.180 -4.326 0.583) 4.369 14.423 ( -4.752 -3.909 7.410) 9.631 14.554 ( 3.807 21.241 -35.022) 41.137 15.365 ( -2.267 -2.079 3.017) 4.309 15.894 ( -21.926 9.699 -15.761) 28.692 18.058 ( -3.879 -8.011 3.604) 9.602 18.597 ( 1.002 -1.338 -4.743) 5.029 18.828 ( 1.443 10.917 -6.026) 12.553 19.915 ( -5.679 2.885 20.123) 21.107 22.645 ( 33.282 -39.323 17.065) 54.270 24.383 ( 8.642 -4.076 -9.328) 13.353 24.422 ( 0.969 0.006 -9.867) 9.914 ======================= Grid point 111 (43/260) ======================= q-point: ( 0.20 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( 19.524 10.170 14.666) 26.452 1.908 ( 24.526 13.554 12.945) 30.868 2.833 ( 35.025 5.347 11.654) 37.298 3.721 ( 1.745 -2.992 16.712) 17.067 4.005 ( 4.415 7.961 8.786) 12.652 4.786 ( 9.413 -7.464 -11.214) 16.434 5.616 ( 4.583 -7.293 7.964) 11.731 6.112 ( 2.467 -4.219 -21.165) 21.722 6.197 ( -1.314 14.193 -4.383) 14.912 6.532 ( 2.763 9.487 -7.223) 12.240 6.924 ( -7.968 1.455 6.445) 10.351 7.396 ( 9.987 1.417 -1.503) 10.198 7.834 ( -1.387 6.026 -2.396) 6.632 8.318 ( -8.110 -6.793 7.135) 12.760 8.423 ( -1.146 -7.751 6.488) 10.172 8.962 ( -0.491 7.707 -0.969) 7.783 9.208 ( -10.647 -3.711 1.989) 11.449 9.484 ( -5.976 13.815 10.925) 18.599 10.528 ( -7.126 -6.363 -0.701) 9.579 11.034 ( 1.688 9.538 5.925) 11.355 11.493 ( -21.354 1.173 3.820) 21.725 12.118 ( 6.844 2.246 -0.547) 7.224 12.527 ( 13.105 -11.111 4.846) 17.852 13.185 ( -6.315 9.073 16.200) 19.612 14.116 ( -4.945 -6.507 -3.124) 8.749 14.217 ( 2.775 -2.915 -2.967) 5.000 15.139 ( 15.683 -1.011 -32.609) 36.198 15.266 ( -8.174 -6.508 -2.792) 10.815 15.541 ( -6.603 5.674 -6.423) 10.819 17.891 ( -10.078 -0.563 6.074) 11.780 18.582 ( -3.156 -2.914 0.976) 4.405 18.882 ( 2.265 3.691 -13.960) 14.616 19.797 ( -5.236 4.502 18.935) 20.155 23.106 ( 14.180 -19.239 9.626) 25.765 24.317 ( -4.342 -1.080 -9.187) 10.219 24.527 ( 1.428 -6.715 -2.853) 7.434 ======================= Grid point 112 (44/260) ======================= q-point: ( 0.30 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.868 ( 23.367 -2.964 7.147) 24.615 2.371 ( 18.983 10.739 9.629) 23.842 3.445 ( 21.813 -1.965 -3.858) 22.238 3.716 ( -2.972 -2.441 14.349) 14.855 4.139 ( 7.869 4.556 13.106) 15.951 4.979 ( 8.606 -0.473 -9.544) 12.860 5.700 ( 3.045 -12.208 0.899) 12.614 6.063 ( -1.330 -1.635 -24.943) 25.032 6.285 ( 6.244 6.180 -4.794) 10.008 6.596 ( 3.915 8.460 -1.755) 9.486 6.764 ( -7.114 4.150 3.516) 8.955 7.450 ( -3.038 10.292 17.453) 20.488 7.871 ( 1.919 -0.879 0.168) 2.118 8.107 ( -11.724 -3.974 8.815) 15.197 8.520 ( 10.502 -7.215 1.479) 12.827 8.788 ( -14.056 -1.122 -8.949) 16.701 9.179 ( 6.863 5.054 3.036) 9.047 9.429 ( -0.649 12.669 6.397) 14.207 10.307 ( -14.311 -1.304 2.883) 14.657 10.933 ( -15.393 2.815 6.876) 17.092 11.154 ( -4.415 11.188 -2.186) 12.225 12.348 ( 14.229 -2.612 0.267) 14.469 12.801 ( 11.746 -10.342 4.915) 16.404 13.169 ( 2.496 5.454 6.996) 9.215 14.037 ( -3.587 -10.859 -6.004) 12.917 14.259 ( -1.007 -2.107 -8.310) 8.632 14.787 ( -22.944 -13.663 1.323) 26.737 15.330 ( 1.042 1.472 -3.181) 3.657 15.706 ( 14.470 10.528 -17.930) 25.331 17.690 ( -9.148 1.873 1.232) 9.419 18.473 ( -6.726 -2.452 1.805) 7.383 18.866 ( -3.020 1.210 -10.220) 10.725 19.753 ( 0.207 1.876 14.730) 14.850 23.317 ( 6.360 -12.101 7.400) 15.545 24.225 ( -3.931 -1.018 -12.980) 13.600 24.517 ( -1.426 -5.742 0.939) 5.990 ======================= Grid point 113 (45/260) ======================= q-point: ( 0.40 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.309 ( 17.058 -8.248 3.565) 19.280 2.698 ( 12.369 8.984 4.763) 16.012 3.532 ( -10.696 -4.569 16.783) 20.420 3.797 ( 8.586 -3.200 -11.240) 14.502 4.317 ( 7.121 -0.876 7.863) 10.644 5.114 ( 4.774 6.843 -3.677) 9.118 5.718 ( -1.433 -8.574 -17.378) 19.431 6.052 ( 0.253 -2.978 -21.367) 21.575 6.417 ( 4.069 0.715 -1.938) 4.564 6.587 ( -2.355 -5.781 -2.115) 6.591 6.753 ( 4.993 13.223 6.690) 15.637 7.417 ( 1.187 14.662 20.672) 25.372 7.804 ( -10.622 -6.218 11.505) 16.847 7.919 ( -2.730 0.672 7.329) 7.850 8.496 ( -12.132 2.953 -8.357) 15.025 8.816 ( 15.832 -7.390 1.530) 17.539 9.394 ( -2.627 0.410 -1.755) 3.186 9.412 ( 11.741 7.300 1.159) 13.874 9.980 ( -14.273 7.887 4.702) 16.972 10.629 ( -11.879 3.635 3.110) 12.806 11.117 ( -1.532 9.922 0.207) 10.042 12.695 ( 18.610 -7.876 -0.638) 20.218 12.988 ( 5.848 -9.241 3.046) 11.352 13.234 ( 1.805 2.370 -0.272) 2.991 13.936 ( -12.944 -10.941 -4.518) 17.540 13.990 ( -14.828 -9.187 -5.597) 18.319 14.553 ( -0.368 -5.457 2.193) 5.893 15.345 ( 0.896 2.486 1.246) 2.922 15.966 ( 10.900 13.832 -11.446) 21.003 17.511 ( -7.877 2.009 -6.432) 10.366 18.344 ( -4.818 -1.484 -0.045) 5.041 18.780 ( -3.865 2.883 -4.378) 6.513 19.795 ( 2.404 -3.479 11.761) 12.498 23.396 ( 1.171 -9.820 5.414) 11.274 24.138 ( -3.696 -1.569 -16.386) 16.871 24.491 ( -0.902 -4.519 1.617) 4.883 ======================= Grid point 114 (46/260) ======================= q-point: (-0.50 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.494 ( -0.875 -3.949 1.793) 4.424 2.942 ( 11.931 2.126 -0.475) 12.128 3.234 ( -18.190 -5.280 16.282) 24.977 3.901 ( 2.303 -2.789 -9.059) 9.754 4.381 ( -2.183 -5.077 0.193) 5.530 5.182 ( 1.959 10.514 -1.036) 10.745 5.639 ( -4.513 -2.777 -23.878) 24.458 5.979 ( -6.807 5.060 -28.274) 29.519 6.334 ( -7.552 -7.092 8.623) 13.479 6.687 ( 3.820 -3.094 11.403) 12.417 6.864 ( 9.000 2.122 -3.239) 9.797 7.540 ( 1.550 7.595 9.401) 12.185 7.608 ( 0.308 3.607 15.975) 16.380 7.940 ( 3.324 0.495 12.230) 12.683 8.311 ( -4.119 6.631 -6.578) 10.209 9.113 ( -4.973 -12.674 3.978) 14.184 9.165 ( 1.325 -0.200 -4.255) 4.460 9.690 ( 8.955 6.972 1.112) 11.403 9.844 ( 1.684 7.859 5.272) 9.613 10.460 ( -3.667 6.947 3.117) 8.451 11.072 ( -2.739 9.007 -1.685) 9.564 12.943 ( -2.218 -13.773 -0.019) 13.951 13.112 ( -4.366 -4.383 0.518) 6.208 13.242 ( 13.518 -5.106 -10.968) 18.141 13.487 ( -16.150 -2.977 1.412) 16.483 13.937 ( 1.279 -12.639 -4.021) 13.325 14.589 ( 2.116 -2.989 1.281) 3.880 15.373 ( 1.601 2.090 3.827) 4.645 16.158 ( 8.351 17.296 -3.938) 19.606 17.361 ( -5.800 2.518 -13.178) 14.617 18.286 ( -0.846 0.228 -1.665) 1.882 18.738 ( 0.638 2.099 -3.153) 3.841 19.844 ( 1.362 -6.959 13.190) 14.975 23.379 ( -2.960 -10.191 2.451) 10.892 24.056 ( -3.226 -1.087 -19.171) 19.471 24.483 ( 0.032 -3.422 1.413) 3.703 ======================= Grid point 115 (47/260) ======================= q-point: (-0.40 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.302 ( -16.172 0.874 -1.232) 16.243 2.798 ( -24.176 -7.237 15.379) 29.553 3.172 ( 9.057 -1.578 -2.021) 9.413 3.889 ( -3.474 0.285 -11.202) 11.732 4.204 ( -14.376 -4.042 1.275) 14.987 5.198 ( 0.095 12.608 -4.849) 13.508 5.508 ( -7.361 -2.483 -14.281) 16.257 5.771 ( -10.611 11.490 -27.179) 31.358 6.190 ( -5.622 -5.394 -0.245) 7.795 6.705 ( -0.123 1.947 13.262) 13.404 7.135 ( 14.551 -10.009 -1.644) 17.737 7.416 ( -5.761 -4.171 12.573) 14.445 7.845 ( 12.169 16.495 8.669) 22.255 8.050 ( 5.988 0.467 17.713) 18.703 8.348 ( 7.138 3.963 -8.925) 12.096 8.732 ( -17.485 -3.507 -3.071) 18.096 9.386 ( 6.432 -2.988 2.826) 7.635 9.759 ( -0.766 5.411 11.432) 12.671 9.952 ( 7.326 2.375 3.628) 8.513 10.516 ( 7.398 4.466 -2.036) 8.878 11.010 ( -2.466 10.097 -6.008) 12.006 12.702 ( -16.700 -8.526 0.469) 18.756 12.895 ( -10.487 -5.296 -1.925) 11.905 13.164 ( -12.474 4.356 -4.218) 13.870 13.755 ( 21.779 -16.448 -10.875) 29.379 14.027 ( 10.282 -7.213 -4.501) 13.342 14.615 ( 0.102 -4.466 3.543) 5.702 15.410 ( 1.499 0.697 5.997) 6.221 16.330 ( 8.591 19.248 4.447) 21.542 17.275 ( -1.096 3.960 -16.435) 16.941 18.298 ( 1.969 -0.796 -2.067) 2.964 18.812 ( 6.435 1.032 -6.738) 9.374 19.857 ( -0.985 -7.772 18.050) 19.677 23.273 ( -7.428 -13.850 -2.229) 15.874 23.986 ( -2.507 2.377 -21.228) 21.507 24.490 ( 0.469 -2.737 1.073) 2.977 ======================= Grid point 116 (48/260) ======================= q-point: (-0.30 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.866 ( -24.572 4.833 -4.053) 25.369 2.243 ( -29.879 -10.002 15.919) 35.301 3.299 ( 2.814 -1.674 -1.052) 3.439 3.603 ( -25.423 7.401 -6.918) 27.367 3.963 ( -5.022 3.919 3.421) 7.230 5.191 ( -1.609 7.738 -17.061) 18.803 5.323 ( -8.462 -0.828 6.412) 10.649 5.545 ( -9.014 10.943 -24.461) 28.272 6.128 ( 0.110 1.921 -13.645) 13.780 6.717 ( 0.282 2.557 8.678) 9.051 7.301 ( -1.677 -5.737 5.003) 7.795 7.467 ( 12.376 -10.291 13.752) 21.170 8.033 ( -0.609 3.354 -3.117) 4.619 8.141 ( 2.056 10.318 15.830) 19.007 8.392 ( 0.835 -4.271 9.593) 10.534 8.667 ( 11.651 3.245 -15.025) 19.288 9.407 ( -2.916 0.796 7.036) 7.658 9.716 ( -1.492 4.191 25.562) 25.947 10.199 ( 14.661 3.179 -4.427) 15.641 10.621 ( 0.878 -4.524 -6.836) 8.245 11.001 ( 2.192 12.372 -11.492) 17.028 12.390 ( -12.659 -3.309 1.969) 13.232 12.663 ( -11.309 -5.510 -2.063) 12.748 12.902 ( -11.791 6.010 -5.503) 14.333 13.946 ( 2.171 -9.523 -10.068) 14.028 14.436 ( 13.221 -2.142 -5.005) 14.298 14.666 ( 14.587 -12.162 -0.426) 18.997 15.436 ( 0.716 -0.259 6.443) 6.488 16.523 ( 9.412 11.789 14.843) 21.164 17.328 ( 7.628 7.928 -14.173) 17.942 18.362 ( 4.105 -3.098 -2.966) 5.936 18.971 ( 8.357 0.721 -12.384) 14.957 19.826 ( -2.733 -6.163 25.297) 26.180 23.052 ( -14.191 -21.606 -8.821) 27.313 23.924 ( -2.516 8.754 -22.651) 24.414 24.501 ( 0.558 -2.034 0.464) 2.160 ======================= Grid point 117 (49/260) ======================= q-point: (-0.20 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( -26.232 11.663 -3.904) 28.972 1.589 ( -32.755 -11.373 20.256) 40.157 2.912 ( -34.907 20.507 12.530) 42.379 3.372 ( 1.486 0.365 -0.044) 1.531 3.914 ( -0.861 9.337 0.083) 9.377 5.016 ( -11.106 -8.987 -7.266) 16.028 5.251 ( -3.619 6.779 1.270) 7.789 5.423 ( 0.660 14.410 -24.243) 28.210 6.170 ( 4.462 7.647 -19.376) 21.303 6.703 ( -2.214 4.811 2.636) 5.916 7.259 ( -3.878 -9.795 16.056) 19.203 7.643 ( -5.631 -8.653 1.072) 10.379 7.822 ( -1.692 -2.306 0.300) 2.876 8.303 ( 8.989 16.719 5.743) 19.832 8.513 ( 5.134 -6.657 14.447) 16.715 8.859 ( 4.799 -0.102 -8.781) 10.007 9.399 ( 4.763 -3.475 8.427) 10.284 9.808 ( 10.454 13.545 34.134) 38.182 10.487 ( 12.188 1.921 -5.214) 13.395 10.581 ( -2.450 -5.607 -11.866) 13.351 11.002 ( -4.004 7.475 -19.579) 21.337 12.154 ( -11.131 -2.930 0.345) 11.516 12.474 ( -5.005 -1.745 1.008) 5.396 12.703 ( -6.226 10.750 -5.611) 13.631 13.943 ( -1.327 -4.682 -10.976) 12.007 14.421 ( -5.489 -5.384 6.788) 10.256 15.224 ( 27.570 -3.475 -14.039) 31.133 15.451 ( 1.326 0.477 3.042) 3.353 16.756 ( 13.359 -10.355 25.540) 30.626 17.593 ( 18.129 13.425 -3.239) 22.790 18.455 ( 4.759 -3.313 -4.028) 7.060 19.092 ( 2.399 0.140 -16.842) 17.012 19.803 ( 0.272 -2.539 31.412) 31.515 22.621 ( -28.643 -34.530 -17.293) 48.081 23.857 ( -2.587 17.888 -23.258) 29.455 24.511 ( 0.271 -1.196 -0.572) 1.353 ======================= Grid point 118 (50/260) ======================= q-point: (-0.10 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.866 ( -14.492 16.601 14.262) 26.249 1.015 ( -17.756 3.461 29.307) 34.441 2.195 ( -33.143 35.260 26.667) 55.252 3.426 ( 3.660 -0.908 5.889) 6.993 3.914 ( 0.752 11.361 0.740) 11.409 4.801 ( -8.914 -11.018 -1.730) 14.278 5.162 ( -1.591 8.000 -3.867) 9.027 5.500 ( 5.185 9.679 -16.503) 19.822 6.285 ( 7.426 10.953 -19.470) 23.542 6.627 ( -4.909 7.031 -3.806) 9.382 7.032 ( -18.319 -11.695 5.815) 22.498 7.440 ( -6.411 1.039 12.826) 14.377 7.926 ( 4.530 -1.138 3.121) 5.618 8.459 ( 2.577 8.075 5.148) 9.917 8.546 ( 0.918 -6.855 1.097) 7.003 8.921 ( 2.640 2.217 5.816) 6.761 9.577 ( 8.804 -7.284 5.151) 12.534 10.283 ( 35.501 9.436 40.495) 54.674 10.542 ( -0.152 -4.898 -10.489) 11.577 10.624 ( -6.825 -3.467 -15.973) 17.712 10.816 ( -4.395 8.766 -12.704) 16.048 11.931 ( -9.071 -3.612 -0.732) 9.791 12.464 ( 1.700 1.507 0.205) 2.281 12.693 ( 8.645 21.947 -7.767) 24.834 13.898 ( -1.968 -1.985 -10.870) 11.224 14.303 ( -5.566 -6.093 6.915) 10.767 15.417 ( -0.567 -0.420 3.877) 3.941 15.694 ( 11.423 5.606 -19.857) 23.584 17.169 ( 23.242 -33.494 19.880) 45.357 18.030 ( 18.473 6.476 9.675) 21.836 18.552 ( 4.748 -1.705 -3.525) 6.154 19.020 ( -7.126 3.525 -13.004) 15.242 19.881 ( 4.496 0.031 27.528) 27.893 21.756 ( -50.911 -43.164 -9.348) 67.398 23.826 ( 2.399 27.685 -21.918) 35.392 24.508 ( -0.603 -0.625 -2.005) 2.185 ======================= Grid point 119 (51/260) ======================= q-point: ( 0.00 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( 10.762 23.164 16.388) 30.348 1.462 ( 14.708 25.186 19.434) 35.048 2.474 ( -12.042 38.480 18.255) 44.260 3.474 ( 4.305 -3.428 11.110) 12.399 4.217 ( -1.516 16.001 0.323) 16.076 4.419 ( -3.875 -9.002 1.050) 9.856 5.411 ( 5.942 6.687 5.230) 10.362 5.666 ( 3.689 2.193 -9.182) 10.136 6.587 ( 4.290 9.078 -9.814) 14.040 6.775 ( -4.388 17.687 -9.088) 20.364 6.915 ( 6.134 4.806 -3.016) 8.356 7.292 ( -8.595 1.670 10.336) 13.546 8.036 ( 3.199 1.308 3.998) 5.285 8.268 ( -1.597 -7.324 3.340) 8.206 8.627 ( -7.385 1.682 3.989) 8.561 9.017 ( 4.515 -0.524 6.797) 8.176 9.487 ( -0.523 -8.861 9.850) 13.260 10.162 ( -18.876 5.122 -18.904) 27.201 10.390 ( 1.104 -11.799 -6.933) 13.730 11.040 ( 24.491 -2.574 17.710) 30.333 11.077 ( 6.726 8.630 -0.902) 10.978 11.730 ( -0.845 -6.047 2.380) 6.553 12.479 ( -1.563 0.176 -0.848) 1.788 13.425 ( 11.832 5.490 -9.458) 16.112 13.968 ( 15.390 1.189 -17.792) 23.555 14.085 ( -0.918 -7.615 5.113) 9.218 15.341 ( -13.831 -5.259 11.214) 18.566 15.581 ( -18.807 4.574 -2.276) 19.488 16.691 ( -17.235 -15.304 -15.737) 27.909 18.023 ( -12.835 3.415 -9.638) 16.410 18.517 ( 6.488 -3.023 -7.564) 10.413 19.129 ( -4.217 10.643 -8.440) 14.223 19.996 ( 2.684 3.166 25.195) 25.535 21.044 ( 28.968 -16.287 31.970) 46.114 24.239 ( 4.917 5.262 -8.437) 11.092 24.468 ( -1.859 -0.603 -4.068) 4.513 ======================= Grid point 120 (52/260) ======================= q-point: ( 0.10 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( 3.296 22.141 24.013) 32.829 1.752 ( 17.501 19.299 16.203) 30.680 2.516 ( 16.531 29.064 10.528) 35.055 3.570 ( 4.031 -4.188 13.307) 14.521 4.198 ( 0.277 13.461 1.451) 13.542 4.424 ( 4.054 -8.796 -3.102) 10.170 5.510 ( 3.128 2.226 7.227) 8.183 5.850 ( 10.012 -7.084 -15.120) 19.469 6.574 ( -4.486 13.974 2.932) 14.967 6.736 ( 0.912 17.133 -15.671) 23.236 7.092 ( 10.963 -1.794 -0.956) 11.150 7.156 ( -4.084 8.041 1.707) 9.179 8.057 ( -1.373 6.902 8.655) 11.155 8.228 ( -3.703 -8.692 6.391) 11.407 8.434 ( -8.801 -4.790 -1.231) 10.096 9.106 ( 3.830 2.929 7.119) 8.598 9.356 ( -12.104 -4.778 4.092) 13.641 9.865 ( -8.044 11.954 -7.638) 16.308 10.408 ( 0.029 -12.191 -4.886) 13.134 11.193 ( 4.661 10.678 3.266) 12.100 11.476 ( 12.621 -5.762 10.788) 17.574 11.840 ( 11.959 -10.733 8.260) 18.068 12.405 ( -5.709 1.442 -4.129) 7.192 13.483 ( -4.046 -0.108 1.149) 4.207 14.060 ( 0.220 -7.340 2.852) 7.878 14.318 ( -5.377 -6.434 9.288) 12.513 14.824 ( -2.905 6.541 -26.075) 27.040 15.430 ( -4.164 8.017 -5.263) 10.455 16.004 ( -33.463 0.733 -15.039) 36.695 17.913 ( -1.443 -5.985 -2.016) 6.478 18.582 ( -0.230 -0.334 -5.136) 5.152 19.037 ( -3.322 9.526 -8.624) 13.272 20.002 ( -3.210 6.012 22.751) 23.750 21.948 ( 42.952 -29.332 24.760) 57.605 24.324 ( 2.209 -2.068 -4.263) 5.227 24.419 ( -1.836 -0.447 -7.083) 7.331 ======================= Grid point 121 (53/260) ======================= q-point: ( 0.20 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( 5.091 20.076 19.399) 28.378 2.168 ( 19.917 12.167 15.326) 27.922 2.985 ( 23.922 9.708 0.478) 25.821 3.637 ( 1.189 -5.361 12.714) 13.849 4.224 ( 1.691 13.215 6.415) 14.787 4.587 ( 11.791 -11.449 -7.858) 18.217 5.549 ( -0.102 -2.015 4.826) 5.231 5.967 ( 3.431 -7.503 -20.973) 22.537 6.483 ( -3.612 13.626 3.341) 14.487 6.734 ( -0.646 11.515 -11.175) 16.059 7.082 ( -3.305 12.413 -3.801) 13.396 7.377 ( 13.380 -2.018 9.392) 16.472 7.953 ( -7.913 2.641 7.382) 11.140 8.177 ( -0.186 -6.061 5.094) 7.920 8.315 ( -2.941 -2.084 1.432) 3.879 9.059 ( -14.815 -3.317 -1.792) 15.287 9.192 ( 4.202 6.933 6.179) 10.193 9.756 ( -3.727 14.036 -1.009) 14.557 10.370 ( -3.457 -9.293 -4.317) 10.814 11.251 ( -0.509 11.412 12.614) 17.018 11.540 ( -6.704 3.372 2.390) 7.876 12.111 ( 8.473 -5.930 6.027) 11.970 12.335 ( 5.544 -5.496 -0.985) 7.869 13.324 ( -8.283 4.243 9.780) 13.501 13.942 ( -10.759 -10.446 0.414) 15.002 14.142 ( 2.799 -5.027 1.109) 5.860 15.088 ( -21.775 -3.316 -12.302) 25.229 15.198 ( 12.543 -0.349 -20.251) 23.824 15.653 ( 2.823 5.847 -11.895) 13.551 17.849 ( -5.128 -4.016 0.931) 6.580 18.537 ( -3.598 -1.159 -0.212) 3.786 18.959 ( -3.815 3.684 -10.771) 12.006 19.914 ( -5.688 7.100 20.429) 22.363 22.651 ( 23.789 -24.634 15.138) 37.442 24.292 ( -3.757 -1.281 -8.240) 9.146 24.406 ( -0.117 -5.178 -2.690) 5.836 ======================= Grid point 122 (54/260) ======================= q-point: ( 0.30 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.913 ( 12.842 7.793 11.375) 18.843 2.560 ( 16.410 8.109 11.991) 21.882 3.408 ( 14.309 -1.948 -0.666) 14.457 3.625 ( -1.711 -6.100 4.959) 8.045 4.264 ( 1.532 7.192 9.101) 11.700 4.883 ( 16.210 -10.183 -9.464) 21.354 5.525 ( -1.310 -4.968 -0.234) 5.143 6.009 ( 1.261 -2.419 -18.321) 18.523 6.444 ( 0.049 9.856 -4.150) 10.695 6.702 ( -2.827 5.415 -2.331) 6.538 7.010 ( -2.114 14.936 -7.649) 16.913 7.559 ( 3.186 0.473 23.953) 24.169 7.810 ( -5.921 -5.674 6.705) 10.593 8.133 ( -6.098 8.001 -3.609) 10.688 8.394 ( 11.415 -5.062 7.667) 14.653 8.778 ( -11.310 0.379 -3.799) 11.937 9.295 ( 5.359 4.092 3.986) 7.833 9.671 ( -5.019 12.295 0.269) 13.283 10.266 ( -5.882 -1.512 -4.712) 7.686 11.078 ( -16.236 10.692 15.112) 24.623 11.395 ( -2.924 12.679 -2.098) 13.180 12.268 ( 9.132 -5.659 -1.243) 10.815 12.571 ( 11.798 -12.925 6.619) 18.710 13.231 ( -1.571 0.283 5.587) 5.811 13.768 ( -7.198 -15.487 -4.728) 17.720 14.216 ( 0.522 -2.216 -4.836) 5.345 14.504 ( -24.100 -13.374 3.505) 27.784 15.378 ( 3.152 3.530 -3.392) 5.823 15.920 ( 18.773 10.430 -26.571) 34.165 17.711 ( -7.631 -0.540 -1.359) 7.770 18.433 ( -6.047 -0.786 1.939) 6.399 18.887 ( -2.374 0.647 -8.271) 8.629 19.803 ( -5.768 2.956 17.255) 18.432 23.005 ( 10.877 -18.329 10.284) 23.665 24.189 ( -5.488 -2.880 -12.224) 13.705 24.399 ( -0.213 -5.283 0.110) 5.288 ======================= Grid point 123 (55/260) ======================= q-point: ( 0.40 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.203 ( 13.282 -2.087 5.709) 14.607 2.838 ( 9.346 4.993 7.516) 12.991 3.395 ( -11.475 -9.494 14.159) 20.550 3.735 ( 8.483 -2.293 -13.457) 16.071 4.290 ( 0.180 -1.882 6.794) 7.052 5.207 ( 14.044 -2.802 -8.029) 16.418 5.523 ( 1.463 -4.841 -7.354) 8.925 5.992 ( -2.010 -3.770 -13.981) 14.619 6.481 ( 3.513 5.561 -5.771) 8.751 6.572 ( -8.589 3.570 -6.693) 11.459 7.005 ( -0.096 10.296 4.330) 11.169 7.611 ( -0.311 -1.419 17.757) 17.816 7.723 ( 0.077 5.176 9.204) 10.560 7.974 ( -6.556 5.826 -0.165) 8.772 8.592 ( -6.394 6.063 -1.244) 8.899 8.692 ( 14.321 -4.083 6.922) 16.422 9.357 ( -4.597 -3.675 -1.057) 5.979 9.573 ( -0.155 6.440 4.600) 7.915 10.158 ( -3.311 11.288 -4.906) 12.746 10.785 ( -10.337 11.625 6.566) 16.885 11.350 ( -2.316 13.010 0.945) 13.248 12.481 ( 10.468 -13.369 -0.151) 16.980 12.768 ( 7.265 -13.410 3.195) 15.583 13.197 ( -4.281 -6.225 -0.538) 7.575 13.633 ( -4.154 -17.912 -2.333) 18.534 13.883 ( -21.071 -0.902 1.227) 21.126 14.409 ( 4.238 -9.001 -0.498) 9.962 15.410 ( 0.697 4.212 1.795) 4.632 16.284 ( 16.652 17.135 -21.422) 32.090 17.549 ( -7.356 1.234 -6.308) 9.768 18.328 ( -3.204 0.518 -0.080) 3.247 18.838 ( -2.415 2.411 -3.627) 4.980 19.703 ( -4.321 -5.589 14.703) 16.312 23.149 ( 2.874 -14.335 6.665) 16.068 24.066 ( -5.124 -6.165 -13.938) 16.079 24.404 ( 0.593 -3.416 0.097) 3.468 ======================= Grid point 124 (56/260) ======================= q-point: (-0.50 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.408 ( 4.089 -4.354 4.487) 7.471 2.966 ( 2.250 -1.789 4.577) 5.405 3.092 ( -15.510 -6.999 7.759) 18.702 3.858 ( 4.036 -1.375 -11.961) 12.698 4.255 ( -4.365 -6.873 3.588) 8.897 5.413 ( 5.747 9.381 -1.109) 11.057 5.561 ( 1.262 -3.010 -18.792) 19.073 5.941 ( -0.710 -10.483 -8.646) 13.607 6.329 ( -12.165 7.990 -8.008) 16.612 6.631 ( 8.556 -1.157 -3.351) 9.262 6.964 ( -3.087 6.350 8.256) 10.864 7.475 ( -9.167 -4.590 4.864) 11.347 7.887 ( 6.796 11.513 1.833) 13.494 7.962 ( 8.804 5.339 17.634) 20.420 8.490 ( -3.250 10.644 0.771) 11.156 8.909 ( -1.305 -7.938 6.773) 10.516 9.165 ( -1.846 0.020 -4.675) 5.026 9.668 ( 4.844 -4.554 8.379) 10.696 10.120 ( -0.777 15.742 -2.879) 16.022 10.670 ( -1.281 14.074 1.702) 14.234 11.292 ( -3.037 12.637 -0.775) 13.020 12.609 ( -0.554 -19.211 2.276) 19.353 12.978 ( 15.348 -14.626 -2.274) 21.323 13.000 ( -12.597 -10.456 -3.287) 16.697 13.510 ( -13.512 -1.896 -2.264) 13.831 13.663 ( 4.706 -9.201 2.130) 10.552 14.484 ( 2.381 -7.909 -0.474) 8.274 15.420 ( 0.148 2.835 3.184) 4.266 16.587 ( 13.339 24.848 -10.729) 30.174 17.414 ( -4.823 2.449 -11.364) 12.585 18.300 ( -0.235 1.417 -2.248) 2.668 18.792 ( -0.854 3.232 -2.945) 4.455 19.645 ( -2.013 -13.195 14.461) 19.680 23.133 ( -4.675 -13.714 1.762) 14.596 23.989 ( -1.061 -6.002 -14.133) 15.391 24.418 ( 0.657 -2.558 -0.091) 2.642 ======================= Grid point 125 (57/260) ======================= q-point: (-0.40 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.322 ( -12.102 0.657 6.317) 13.667 2.635 ( -23.276 -7.991 5.857) 25.297 3.126 ( 7.406 -3.034 -1.385) 8.122 3.881 ( -2.529 -2.851 -16.737) 17.165 4.121 ( -6.680 -2.043 6.030) 9.228 5.464 ( -5.471 -0.358 1.287) 5.632 5.495 ( -1.508 14.264 -8.469) 16.657 5.994 ( 5.532 -10.349 -12.501) 17.146 6.060 ( -12.431 13.130 -14.981) 23.481 6.751 ( 0.851 1.930 4.112) 4.621 6.997 ( 8.214 -3.724 0.193) 9.021 7.326 ( -4.777 -4.208 9.527) 11.458 7.984 ( 4.571 0.789 5.765) 7.399 8.248 ( 13.626 14.583 16.279) 25.755 8.431 ( -5.130 3.973 1.010) 6.566 8.687 ( -8.866 1.204 -2.104) 9.192 9.327 ( 8.321 -4.592 -1.976) 9.707 9.726 ( 0.892 -4.215 13.635) 14.300 10.139 ( 4.026 12.729 -4.596) 14.119 10.679 ( 0.029 11.960 1.869) 12.105 11.245 ( -0.697 13.165 -5.834) 14.417 12.500 ( -8.221 -11.291 1.475) 14.045 12.739 ( -11.640 -10.291 -0.797) 15.558 13.205 ( -8.109 -4.964 -0.202) 9.510 13.434 ( 18.265 -11.756 -10.307) 24.043 13.838 ( 12.984 -9.383 0.329) 16.023 14.494 ( -1.711 -8.387 1.704) 8.728 15.423 ( 0.145 1.072 3.238) 3.414 16.809 ( 6.801 27.991 1.182) 28.829 17.364 ( 1.831 4.495 -14.106) 14.918 18.286 ( -0.759 -0.114 -1.710) 1.874 18.838 ( 5.626 1.510 -8.596) 10.383 19.628 ( -0.570 -15.647 17.264) 23.306 22.957 ( -12.109 -16.857 -4.549) 21.248 24.003 ( 2.553 -1.081 -13.436) 13.719 24.431 ( 0.718 -2.685 0.188) 2.785 ======================= Grid point 126 (58/260) ======================= q-point: (-0.30 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.973 ( -20.351 3.921 11.437) 23.672 2.115 ( -26.035 0.798 -1.679) 26.101 3.250 ( 3.411 -3.540 0.594) 4.952 3.673 ( -14.788 -1.825 -10.407) 18.175 4.092 ( 2.833 9.441 1.732) 10.008 5.206 ( -15.823 -1.957 3.972) 16.430 5.502 ( -0.966 13.762 3.641) 14.268 5.835 ( -7.236 17.949 -21.055) 28.598 6.121 ( 7.231 -3.102 -20.050) 21.538 6.742 ( -0.368 -1.306 5.078) 5.256 7.170 ( 2.306 -6.767 -4.812) 8.618 7.329 ( 7.643 -3.699 17.366) 19.330 8.020 ( -5.925 2.069 4.981) 8.012 8.273 ( -2.559 -5.129 5.274) 7.789 8.501 ( 9.343 15.164 16.369) 24.190 8.691 ( 6.126 2.512 -9.343) 11.451 9.358 ( -4.429 -7.498 3.825) 9.511 9.820 ( 8.453 5.554 12.814) 16.325 10.299 ( 10.890 7.158 -9.030) 15.855 10.628 ( -4.697 5.563 2.983) 7.868 11.247 ( -0.092 12.361 -12.037) 17.254 12.305 ( -10.577 -5.411 -0.645) 11.898 12.529 ( -7.587 -7.515 2.426) 10.951 13.013 ( -7.707 3.988 -4.653) 9.846 13.730 ( 8.077 -11.354 -5.878) 15.122 14.322 ( 31.301 -9.723 -5.613) 33.254 14.419 ( -3.400 -11.057 4.962) 12.587 15.431 ( 0.462 0.029 2.601) 2.642 16.821 ( -5.314 17.592 7.808) 19.967 17.510 ( 11.862 9.353 -7.354) 16.801 18.300 ( 2.821 -2.305 -3.059) 4.757 18.983 ( 7.780 0.379 -15.520) 17.365 19.642 ( 1.292 -12.554 22.663) 25.940 22.616 ( -20.848 -20.977 -10.124) 31.260 24.058 ( 3.007 4.753 -13.140) 14.293 24.451 ( 1.220 -2.774 0.380) 3.054 ======================= Grid point 127 (59/260) ======================= q-point: (-0.20 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( -20.569 8.008 15.097) 26.742 1.613 ( -19.840 16.615 -1.578) 25.926 3.199 ( -12.596 5.843 5.853) 15.068 3.401 ( -5.519 2.651 -0.466) 6.141 4.172 ( 3.739 16.191 -0.550) 16.626 4.869 ( -15.655 -4.853 7.274) 17.931 5.432 ( -5.074 11.135 -1.234) 12.299 5.750 ( -1.267 18.135 -19.213) 26.451 6.275 ( 8.598 2.001 -22.442) 24.116 6.761 ( 1.825 -3.307 6.213) 7.271 7.094 ( -7.566 -2.575 7.064) 10.666 7.551 ( 7.200 -1.423 4.658) 8.693 7.813 ( -6.898 1.952 2.147) 7.484 8.335 ( 3.314 -8.821 8.558) 12.729 8.650 ( 4.165 14.769 15.439) 21.768 8.815 ( 4.852 -1.952 -8.601) 10.066 9.296 ( 1.179 -7.487 8.253) 11.205 10.061 ( 13.616 8.611 11.618) 19.863 10.506 ( 1.675 0.206 -12.097) 12.214 10.543 ( 3.757 4.369 3.337) 6.659 11.163 ( -7.910 8.230 -18.135) 21.428 12.059 ( -12.273 -6.737 -0.804) 14.024 12.461 ( 0.350 0.236 3.749) 3.773 12.922 ( 0.516 10.396 -6.834) 12.452 13.824 ( 2.140 -6.984 -6.477) 9.762 14.273 ( -7.134 -9.306 6.398) 13.358 15.122 ( 39.143 -6.661 -7.848) 40.473 15.451 ( 2.420 -0.488 0.126) 2.472 16.654 ( -9.858 0.816 15.799) 18.640 17.792 ( 14.492 4.990 2.352) 15.506 18.398 ( 6.017 -1.168 -4.646) 7.691 19.100 ( 3.618 0.646 -21.389) 21.702 19.727 ( 5.870 -5.193 27.722) 28.808 22.041 ( -34.696 -23.372 -12.481) 43.656 24.108 ( 2.499 8.786 -12.606) 15.568 24.478 ( 1.143 -2.085 -0.275) 2.394 ======================= Grid point 128 (60/260) ======================= q-point: (-0.10 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( -2.312 26.443 11.147) 28.789 1.342 ( -5.606 21.857 14.855) 27.015 2.827 ( -19.886 26.127 13.944) 35.672 3.396 ( 2.266 -2.042 6.438) 7.124 4.223 ( 1.090 19.433 -0.239) 19.465 4.588 ( -11.533 -9.209 5.145) 15.630 5.351 ( -1.273 10.897 -1.451) 11.067 5.697 ( -3.276 9.287 -13.958) 17.082 6.449 ( 8.719 5.816 -19.407) 22.057 6.815 ( 2.923 4.344 1.504) 5.448 6.916 ( -8.096 4.392 4.671) 10.328 7.475 ( -8.933 4.375 8.584) 13.139 7.904 ( 8.777 -1.883 0.096) 8.977 8.330 ( -3.607 -10.042 4.404) 11.543 8.697 ( -0.138 9.579 10.540) 14.243 8.911 ( 5.143 -1.161 1.433) 5.464 9.406 ( 6.442 -9.508 9.555) 14.940 10.321 ( 5.624 -7.540 -5.298) 10.796 10.542 ( 2.287 2.227 -2.600) 4.117 10.590 ( 1.967 5.927 3.565) 7.190 10.999 ( -1.482 8.487 -12.188) 14.926 11.834 ( -8.584 -6.064 0.702) 10.533 12.486 ( 0.730 0.770 1.428) 1.779 13.082 ( 15.397 15.836 -11.297) 24.809 13.841 ( 1.006 -3.696 -9.027) 9.806 14.147 ( -4.831 -9.168 7.144) 12.587 15.415 ( -0.201 0.322 3.294) 3.316 15.824 ( 10.529 6.663 -16.631) 20.781 16.577 ( 9.031 -25.098 19.312) 32.930 18.085 ( 11.491 -0.494 7.008) 13.469 18.482 ( 0.030 -3.974 -8.607) 9.480 19.134 ( 2.235 6.790 -19.661) 20.920 19.888 ( 6.738 0.724 27.797) 28.612 21.209 ( -38.365 -16.311 0.804) 41.697 24.158 ( 3.226 9.725 -11.251) 15.217 24.490 ( -0.117 -1.215 -1.758) 2.140 ======================= Grid point 129 (61/260) ======================= q-point: ( 0.00 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( 6.510 17.589 18.386) 26.264 1.954 ( 8.729 21.968 8.075) 24.980 3.046 ( -2.611 17.205 -5.435) 18.231 3.399 ( 3.304 -3.834 11.533) 12.595 4.247 ( -9.456 -0.732 15.604) 18.260 4.638 ( -0.652 19.135 -1.133) 19.179 5.543 ( -0.313 6.221 2.711) 6.793 5.685 ( -1.905 0.163 -7.333) 7.579 6.757 ( 7.345 6.041 -7.377) 12.036 6.901 ( 5.316 -2.331 9.144) 10.831 7.137 ( -0.464 17.632 -11.017) 20.796 7.425 ( -5.955 8.601 -5.150) 11.661 7.921 ( 2.171 -10.128 6.720) 12.347 8.242 ( 4.585 3.410 -1.661) 5.950 8.627 ( -13.041 -2.577 12.967) 18.570 8.943 ( 1.361 -6.685 -4.069) 7.944 9.390 ( 4.049 0.300 16.954) 17.433 10.108 ( 1.221 -14.356 -4.419) 15.070 10.355 ( -12.356 12.285 -19.945) 26.484 11.060 ( 14.406 1.808 5.808) 15.638 11.175 ( 8.071 1.101 -2.180) 8.432 11.629 ( -1.142 -3.228 9.968) 10.539 12.471 ( -1.508 -0.907 -0.077) 1.762 13.479 ( 2.291 0.811 -5.114) 5.662 13.912 ( -0.245 -6.734 4.088) 7.882 13.989 ( 15.875 -1.041 -11.369) 19.553 15.270 ( -19.994 -1.808 10.226) 22.530 15.682 ( -11.026 4.835 -4.891) 12.995 16.390 ( -1.618 -14.107 -10.300) 17.542 18.094 ( -15.470 3.255 -10.656) 19.064 18.468 ( 11.714 -1.958 -12.427) 17.189 19.288 ( -2.215 5.443 -14.200) 15.368 20.086 ( 4.741 5.733 26.715) 27.732 20.814 ( 16.265 -8.557 25.368) 31.326 24.301 ( 0.137 1.859 -3.795) 4.228 24.454 ( -1.200 -0.759 -3.880) 4.131 ======================= Grid point 130 (62/260) ======================= q-point: ( 0.10 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.992 ( 9.672 13.736 20.879) 26.799 2.132 ( 8.019 17.916 13.592) 23.875 3.040 ( 3.407 21.251 -7.274) 22.718 3.482 ( 3.473 -4.654 11.267) 12.675 4.171 ( 1.747 -6.457 7.565) 10.098 4.600 ( -2.699 16.600 -0.242) 16.820 5.529 ( -2.030 -1.802 -1.589) 3.146 5.734 ( 6.111 -3.001 -9.755) 11.896 6.816 ( -2.327 10.158 6.675) 12.375 6.965 ( 2.051 -1.991 3.057) 4.185 7.150 ( 3.660 17.624 -6.195) 19.037 7.393 ( 1.712 12.336 -10.662) 16.395 7.955 ( 0.385 -12.226 7.422) 14.308 8.250 ( -14.897 3.031 8.584) 17.458 8.346 ( 0.327 -1.103 -3.014) 3.226 9.000 ( 1.399 -10.776 1.240) 10.937 9.400 ( -3.036 7.059 12.138) 14.366 10.121 ( -5.174 -5.070 -6.829) 9.955 10.181 ( 1.754 8.973 -9.633) 13.282 11.295 ( 8.665 -4.058 -6.791) 11.733 11.440 ( 13.323 0.875 8.818) 16.001 11.674 ( 5.733 -3.237 18.561) 19.694 12.422 ( -3.445 0.395 -2.918) 4.532 13.459 ( -3.017 -2.012 -2.916) 4.653 13.914 ( 0.512 -6.882 4.953) 8.495 14.194 ( -8.535 -5.581 11.362) 15.267 14.895 ( 1.142 2.301 -25.076) 25.208 15.605 ( -2.710 8.407 -6.812) 11.155 15.948 ( -32.181 -5.195 -9.770) 34.031 17.830 ( -6.704 -2.707 -6.822) 9.940 18.581 ( 0.301 0.139 -6.683) 6.691 19.181 ( -6.641 5.129 -10.418) 13.378 20.139 ( -1.493 7.406 24.387) 25.531 21.497 ( 38.835 -17.382 24.047) 48.873 24.296 ( -0.345 -0.934 -3.570) 3.706 24.406 ( -3.275 -0.783 -5.700) 6.621 ======================= Grid point 131 (63/260) ======================= q-point: ( 0.20 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.101 ( 1.379 18.048 18.151) 25.633 2.384 ( 14.430 10.167 16.230) 23.979 3.185 ( 9.812 9.959 -6.968) 15.620 3.528 ( 0.068 -5.344 6.889) 8.719 4.303 ( 9.268 -9.585 3.256) 13.725 4.536 ( -2.918 9.622 -0.923) 10.097 5.464 ( -2.397 -6.030 -8.383) 10.601 5.895 ( 8.713 0.002 -11.059) 14.079 6.695 ( -6.920 7.486 8.463) 13.250 6.986 ( -2.741 12.877 -12.101) 17.882 7.269 ( 4.328 4.625 9.322) 11.270 7.416 ( 1.706 7.891 -0.486) 8.088 7.865 ( -8.554 -8.982 2.228) 12.602 8.087 ( 3.204 -4.221 7.392) 9.095 8.388 ( 1.534 8.102 0.884) 8.293 8.940 ( -6.833 -7.674 -2.689) 10.621 9.347 ( -1.727 7.923 10.671) 13.402 9.982 ( -7.310 0.209 -4.228) 8.447 10.273 ( 5.734 8.891 -7.084) 12.732 11.410 ( 0.827 1.392 6.401) 6.603 11.600 ( 2.913 2.532 -1.126) 4.020 11.906 ( 12.536 -10.319 21.217) 26.717 12.325 ( -4.332 2.153 -5.354) 7.216 13.350 ( -7.496 -0.930 3.145) 8.182 13.748 ( -17.253 -8.318 3.385) 19.451 14.013 ( 2.532 -7.734 4.678) 9.386 15.057 ( -36.301 0.054 -4.161) 36.539 15.219 ( 18.511 1.912 -24.653) 30.888 15.767 ( 8.185 5.520 -15.298) 18.207 17.742 ( -3.369 -6.275 -2.342) 7.498 18.539 ( -3.186 1.029 -3.415) 4.783 19.016 ( -7.950 2.122 -7.692) 11.264 20.055 ( -7.524 6.665 22.474) 24.619 22.219 ( 27.577 -18.286 17.174) 37.280 24.272 ( -3.816 -0.797 -7.528) 8.478 24.324 ( -2.206 -3.275 -3.439) 5.237 ======================= Grid point 132 (64/260) ======================= q-point: ( 0.30 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.148 ( 2.975 15.016 13.239) 20.238 2.680 ( 12.220 3.773 14.208) 19.116 3.340 ( 0.168 -5.298 8.186) 9.752 3.535 ( 4.773 -2.057 -10.890) 12.067 4.371 ( -4.622 2.428 6.264) 8.154 4.641 ( 14.610 -11.936 -6.911) 20.092 5.470 ( 3.526 -1.408 -10.750) 11.401 6.006 ( 0.674 1.798 -10.111) 10.291 6.625 ( 0.434 7.213 2.568) 7.668 6.826 ( -9.804 6.919 -9.793) 15.489 7.203 ( -7.604 3.018 1.882) 8.395 7.534 ( 5.432 -2.296 15.817) 16.881 7.759 ( -0.133 3.650 0.127) 3.654 8.283 ( 10.573 -0.024 0.635) 10.592 8.357 ( -3.665 5.960 7.110) 9.975 8.804 ( -3.663 1.929 -1.431) 4.380 9.323 ( -1.665 0.561 9.164) 9.331 9.798 ( -10.217 -2.930 -0.540) 10.642 10.394 ( 5.825 17.640 -8.999) 20.642 11.276 ( -13.183 7.298 14.719) 21.064 11.617 ( -0.188 9.031 -1.882) 9.227 12.119 ( 6.772 -9.825 1.764) 12.062 12.329 ( 4.856 -9.930 5.662) 12.419 13.190 ( -7.153 -3.526 5.739) 9.825 13.473 ( -10.196 -13.717 -5.814) 18.053 14.108 ( 5.223 -9.236 2.093) 10.814 14.368 ( -27.665 0.029 2.007) 27.738 15.465 ( 5.180 4.967 -3.151) 7.838 16.096 ( 23.110 7.271 -33.673) 41.483 17.654 ( -4.980 -4.840 -2.828) 7.498 18.459 ( -4.225 3.155 -1.061) 5.379 18.885 ( -3.630 -0.808 -4.891) 6.144 19.860 ( -11.977 2.690 20.720) 24.083 22.661 ( 14.953 -15.448 12.430) 24.835 24.113 ( -9.281 -4.398 -9.970) 14.313 24.331 ( 1.534 -1.810 -2.656) 3.561 ======================= Grid point 133 (65/260) ======================= q-point: ( 0.40 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.238 ( 4.819 5.639 8.908) 11.592 2.868 ( 3.995 -3.401 12.595) 13.644 3.204 ( -9.674 -7.462 6.167) 13.686 3.699 ( 8.171 -2.399 -13.576) 16.026 4.266 ( -4.694 0.721 5.337) 7.144 4.986 ( 17.734 -14.376 -9.006) 24.541 5.572 ( 5.913 4.674 -9.745) 12.320 5.913 ( -8.140 -3.683 -4.942) 10.210 6.607 ( -2.448 6.005 -12.391) 13.986 6.676 ( -5.294 6.673 -0.278) 8.522 7.096 ( -1.208 -1.361 6.063) 6.330 7.544 ( -3.465 -1.037 2.041) 4.153 7.897 ( 9.582 9.220 11.940) 17.871 8.135 ( -9.051 9.810 -4.891) 14.215 8.576 ( 10.705 -4.561 6.666) 13.410 8.789 ( 0.475 9.484 8.183) 12.535 9.267 ( -4.928 -4.815 3.717) 7.829 9.598 ( -6.686 -3.542 3.426) 8.306 10.468 ( 0.337 19.466 -5.543) 20.242 11.028 ( -7.853 11.893 7.769) 16.232 11.597 ( -1.881 11.436 -0.727) 11.612 12.207 ( 2.211 -13.362 -0.312) 13.547 12.465 ( 7.221 -17.230 3.047) 18.929 13.039 ( -8.961 -8.607 3.128) 12.813 13.310 ( -3.973 -13.351 -1.908) 14.060 13.915 ( -15.704 2.413 2.595) 16.098 14.220 ( 4.527 -9.293 0.594) 10.355 15.505 ( -0.136 5.064 1.424) 5.262 16.592 ( 24.836 13.518 -31.325) 42.200 17.543 ( -5.143 -1.906 -5.786) 7.973 18.383 ( -2.461 5.147 -0.804) 5.761 18.854 ( -0.032 -1.202 -2.102) 2.422 19.594 ( -13.944 -5.008 18.898) 24.014 22.880 ( 5.608 -12.102 8.516) 15.824 23.919 ( -7.581 -7.702 -10.754) 15.246 24.365 ( 1.640 -0.870 -2.862) 3.411 ======================= Grid point 134 (66/260) ======================= q-point: (-0.50 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.337 ( 3.276 -2.606 8.428) 9.410 2.796 ( -11.096 -11.696 9.691) 18.810 3.066 ( -2.639 1.698 -1.521) 3.487 3.802 ( 1.646 -5.835 -13.422) 14.727 4.193 ( -2.380 2.598 5.220) 6.298 5.339 ( 16.012 -11.224 -12.556) 23.238 5.654 ( -2.532 0.705 -0.107) 2.630 5.732 ( -3.425 -2.963 -4.874) 6.653 6.520 ( -7.227 9.379 -8.341) 14.483 6.641 ( 5.196 1.732 -4.776) 7.267 7.075 ( -3.603 4.189 2.098) 5.910 7.431 ( -7.431 0.678 -2.576) 7.894 7.918 ( -1.360 -0.732 6.861) 7.032 8.235 ( 12.459 14.668 7.734) 20.741 8.684 ( -2.791 8.447 7.320) 11.521 8.792 ( -0.202 -4.553 6.740) 8.136 9.150 ( -2.781 -2.490 -2.120) 4.293 9.579 ( 3.060 -3.414 9.247) 10.322 10.403 ( -4.365 12.263 -0.731) 13.037 10.980 ( 0.650 16.744 0.234) 16.758 11.542 ( -2.729 12.440 -2.319) 12.945 12.246 ( 2.153 -16.408 4.626) 17.183 12.633 ( 7.902 -17.791 -6.041) 20.383 12.818 ( -10.088 -10.184 3.086) 14.663 13.301 ( 1.328 -10.375 2.872) 10.846 13.697 ( -4.910 4.528 -1.546) 6.856 14.290 ( 1.804 -11.134 1.430) 11.370 15.486 ( -1.398 3.689 0.757) 4.016 17.069 ( 21.708 22.877 -19.641) 37.153 17.445 ( -3.712 0.653 -8.798) 9.571 18.354 ( -1.095 4.501 -1.627) 4.910 18.850 ( -0.489 2.149 -2.338) 3.213 19.343 ( -9.607 -16.852 16.958) 25.766 22.884 ( -5.797 -10.876 2.554) 12.586 23.843 ( 1.519 -7.872 -8.946) 12.013 24.389 ( 0.785 -0.575 -2.742) 2.910 ======================= Grid point 135 (67/260) ======================= q-point: (-0.40 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.307 ( -8.379 -1.869 12.609) 15.254 2.533 ( -12.693 -2.597 -1.517) 13.044 3.066 ( 2.878 -2.314 -1.433) 3.961 3.735 ( -7.071 -10.426 -14.706) 19.364 4.195 ( 2.919 8.627 3.719) 9.838 5.423 ( -10.328 -3.830 6.894) 12.995 5.682 ( 12.126 -12.576 -10.797) 20.537 5.771 ( 2.912 7.810 -0.353) 8.342 6.376 ( -5.925 15.101 -17.248) 23.678 6.766 ( 2.553 0.424 -1.516) 3.000 6.965 ( -2.476 -0.767 -4.114) 4.862 7.282 ( -4.974 -0.257 3.521) 6.100 7.989 ( 6.430 -0.204 9.735) 11.668 8.451 ( 6.299 6.927 3.292) 9.925 8.482 ( -13.135 2.268 8.723) 15.930 8.842 ( 4.890 12.204 4.738) 13.975 9.159 ( 0.630 -12.250 -0.922) 12.301 9.685 ( 6.775 -0.151 10.378) 12.394 10.365 ( 1.700 9.586 -5.953) 11.412 10.956 ( -4.122 15.260 2.997) 16.088 11.505 ( -0.703 12.813 -7.034) 14.634 12.294 ( 1.196 -8.623 3.673) 9.448 12.506 ( -11.947 -12.999 0.533) 17.664 12.917 ( 9.842 -18.418 -0.609) 20.892 13.346 ( 5.432 -1.870 -1.026) 5.835 13.740 ( 9.610 -0.694 -3.116) 10.127 14.289 ( -2.029 -11.754 2.965) 12.291 15.458 ( -1.071 2.339 -0.525) 2.626 17.333 ( -2.589 16.330 -6.012) 17.594 17.482 ( 12.627 15.994 -6.475) 21.382 18.298 ( -3.518 1.296 -1.360) 3.988 18.862 ( 3.211 0.435 -11.504) 11.952 19.253 ( 0.136 -21.912 17.177) 27.843 22.662 ( -14.732 -12.400 -3.488) 19.570 23.950 ( 7.836 -3.732 -6.763) 11.003 24.397 ( 0.241 -0.820 -2.044) 2.215 ======================= Grid point 136 (68/260) ======================= q-point: (-0.30 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.055 ( -13.548 7.374 10.204) 18.494 2.252 ( -14.719 9.121 -2.919) 17.560 3.157 ( 4.396 -5.619 0.969) 7.199 3.541 ( -9.498 -10.443 -13.756) 19.710 4.317 ( 8.105 12.973 1.263) 15.349 5.168 ( -14.490 -2.791 17.131) 22.610 5.753 ( -2.100 10.934 2.665) 11.448 5.977 ( 13.412 -6.461 -11.996) 19.119 6.250 ( -5.107 19.267 -24.384) 31.494 6.649 ( -8.341 -7.376 1.788) 11.277 7.062 ( 6.099 -3.819 -7.813) 10.622 7.293 ( 6.822 -1.971 10.912) 13.019 8.129 ( 2.315 7.260 9.684) 12.323 8.201 ( -9.999 0.180 3.136) 10.481 8.552 ( 3.855 -3.173 3.005) 5.828 8.970 ( 5.937 18.943 5.193) 20.520 9.120 ( -3.442 -15.529 3.938) 16.386 9.875 ( 10.237 -0.911 5.396) 11.608 10.458 ( 6.713 8.071 -13.325) 16.963 10.825 ( -7.511 13.445 8.475) 17.579 11.464 ( -4.052 9.101 -12.672) 16.119 12.160 ( -12.885 -9.928 0.247) 16.269 12.419 ( 2.619 -2.102 5.533) 6.472 13.002 ( 0.853 -5.943 -3.454) 6.926 13.551 ( 9.979 -5.835 -0.772) 11.586 14.139 ( 24.784 -7.500 -0.656) 25.902 14.223 ( 1.350 -8.896 0.604) 9.018 15.444 ( -0.249 1.218 -1.213) 1.736 17.169 ( -13.660 16.680 2.406) 21.693 17.650 ( 3.983 4.574 4.369) 7.475 18.309 ( 5.521 3.975 -6.223) 9.220 18.970 ( 7.189 -2.652 -21.528) 22.851 19.356 ( 8.569 -15.241 20.805) 27.177 22.278 ( -22.251 -13.088 -6.543) 26.631 24.114 ( 7.456 1.185 -6.645) 10.057 24.406 ( 0.826 -1.650 -0.754) 1.993 ======================= Grid point 137 (69/260) ======================= q-point: (-0.20 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.834 ( -7.050 19.120 7.463) 21.702 1.949 ( -12.964 16.945 1.358) 21.378 3.199 ( -1.318 -3.297 1.334) 3.793 3.379 ( -4.371 -6.674 -7.458) 10.921 4.492 ( 7.469 15.250 0.708) 16.996 4.850 ( -16.344 2.184 20.122) 26.015 5.666 ( -5.326 12.454 1.715) 13.654 6.089 ( -10.191 14.597 -16.282) 24.125 6.261 ( 13.949 -2.290 -18.274) 23.103 6.577 ( 2.969 -11.188 10.728) 15.782 7.133 ( 1.660 2.555 -5.777) 6.531 7.534 ( 13.645 -2.460 4.239) 14.499 7.899 ( -13.165 6.825 -0.894) 14.856 8.232 ( 0.911 0.487 9.106) 9.165 8.624 ( 2.402 -8.684 4.102) 9.900 9.065 ( 2.954 17.562 4.941) 18.482 9.096 ( 2.044 -11.291 6.818) 13.347 10.065 ( 6.380 -6.706 -0.213) 9.259 10.570 ( 3.297 4.807 -15.350) 16.420 10.731 ( 0.038 13.577 11.693) 17.918 11.298 ( -10.573 5.090 -17.314) 20.916 11.896 ( -11.519 -9.561 3.035) 15.275 12.484 ( 2.009 2.096 3.847) 4.819 13.071 ( 7.685 4.328 -7.038) 11.284 13.694 ( 4.322 -5.735 -1.984) 7.450 14.081 ( -6.321 -9.521 6.752) 13.274 14.988 ( 45.404 -6.180 -6.195) 46.239 15.446 ( 0.627 0.249 -1.062) 1.258 16.765 ( -24.344 9.176 13.014) 29.090 17.763 ( 8.218 -6.691 2.382) 10.862 18.432 ( 4.424 3.705 -7.329) 9.328 19.116 ( 7.660 0.939 -24.838) 26.009 19.612 ( 14.021 -5.896 24.081) 28.483 21.710 ( -32.080 -11.110 -5.164) 34.340 24.233 ( 4.189 4.545 -6.478) 8.953 24.433 ( 1.661 -2.386 -0.211) 2.914 ======================= Grid point 138 (70/260) ======================= q-point: (-0.10 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( -3.439 18.957 12.835) 23.150 1.814 ( 2.601 26.185 3.426) 26.535 3.124 ( -4.317 4.173 -3.925) 7.173 3.351 ( 0.733 -3.197 5.591) 6.482 4.502 ( -13.518 1.177 19.934) 24.114 4.625 ( 1.022 19.658 -0.525) 19.691 5.574 ( -3.109 11.511 1.981) 12.087 5.835 ( -11.230 4.811 -9.841) 15.687 6.540 ( 13.106 2.951 -15.352) 20.401 6.734 ( 9.241 -6.036 12.295) 16.523 7.145 ( 0.230 11.804 -8.765) 14.704 7.626 ( -11.603 9.196 -0.361) 14.810 7.806 ( 9.623 -7.896 0.437) 12.456 8.206 ( -1.887 -0.923 3.264) 3.881 8.682 ( 3.013 -8.735 10.595) 14.058 9.032 ( -5.662 9.116 -1.787) 10.879 9.238 ( 8.479 -4.990 15.014) 17.951 10.111 ( -0.531 -12.723 -4.868) 13.632 10.585 ( -4.372 4.653 -17.063) 18.218 10.806 ( 7.114 12.158 11.632) 18.268 11.110 ( -2.893 2.270 -13.972) 14.448 11.706 ( -6.666 -6.523 5.871) 11.021 12.494 ( -0.716 0.110 1.809) 1.949 13.307 ( 13.321 7.651 -9.099) 17.854 13.765 ( 4.426 -3.690 -6.899) 8.989 13.971 ( -4.127 -8.128 7.360) 11.716 15.429 ( -0.954 0.987 2.404) 2.769 15.888 ( 28.254 -2.489 -13.506) 31.415 16.248 ( -18.856 -6.700 16.281) 25.798 18.023 ( 16.300 -4.900 3.961) 17.475 18.435 ( -4.223 -0.855 -15.678) 16.259 19.250 ( 5.816 4.612 -21.312) 22.568 19.909 ( 11.721 1.328 26.264) 28.791 21.008 ( -30.310 -5.850 6.645) 31.576 24.287 ( 1.570 4.505 -5.043) 6.942 24.460 ( 0.702 -1.761 -1.657) 2.518 ======================= Grid point 139 (71/260) ======================= q-point: ( 0.00 0.44 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.056 ( 4.187 8.168 15.923) 18.379 2.266 ( 4.237 8.697 7.488) 12.234 3.175 ( 5.130 0.474 -21.404) 22.015 3.333 ( 3.692 -2.612 11.149) 12.031 4.318 ( -12.331 4.555 28.268) 31.175 4.923 ( -1.546 7.908 -4.540) 9.249 5.637 ( -7.902 2.984 -3.864) 9.289 5.692 ( -3.645 0.564 2.083) 4.236 6.780 ( 6.216 -0.468 11.160) 12.783 6.903 ( 11.882 0.084 -10.801) 16.058 7.385 ( -3.536 4.867 -7.338) 9.489 7.531 ( 3.543 3.367 -5.497) 7.356 7.816 ( -0.404 0.042 2.199) 2.237 8.302 ( 2.095 1.412 -0.106) 2.529 8.549 ( -2.258 -3.239 12.773) 13.369 8.810 ( -10.841 -4.897 -5.909) 13.283 9.491 ( 7.192 8.060 16.349) 19.596 9.828 ( 0.019 -12.375 -2.062) 12.545 10.648 ( -5.704 16.395 -17.596) 24.717 10.948 ( 1.590 -12.746 -14.163) 19.120 11.220 ( 11.190 2.840 6.566) 13.281 11.604 ( 2.228 -0.235 18.263) 18.400 12.452 ( -1.581 -0.661 -0.100) 1.716 13.479 ( -0.950 -0.312 -4.196) 4.314 13.808 ( -1.151 -3.020 6.977) 7.689 13.980 ( 15.862 -0.114 -10.342) 18.936 15.258 ( -20.673 0.083 7.566) 22.014 15.751 ( -8.746 1.883 -5.560) 10.533 16.184 ( 1.682 -5.873 -6.709) 9.074 18.139 ( -15.408 1.237 -10.452) 18.660 18.442 ( 14.793 -0.711 -15.439) 21.394 19.350 ( -1.297 1.366 -16.027) 16.137 20.189 ( 7.085 3.577 24.923) 26.157 20.692 ( 9.411 -3.619 24.920) 26.883 24.325 ( -2.033 0.619 -2.371) 3.184 24.441 ( -0.540 -0.445 -3.666) 3.733 ======================= Grid point 140 (72/260) ======================= q-point: ( 0.10 0.44 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.194 ( 7.380 5.962 18.791) 21.050 2.393 ( 7.096 7.546 10.660) 14.863 3.282 ( 5.575 4.336 -23.153) 24.206 3.405 ( 2.249 -2.513 12.074) 12.536 4.129 ( -5.879 1.064 22.177) 22.968 4.837 ( -6.321 6.066 -4.459) 9.830 5.471 ( -6.926 -1.999 -11.435) 13.518 5.726 ( 6.130 0.518 -0.585) 6.180 6.917 ( 8.598 0.530 14.855) 17.172 6.977 ( -6.260 3.167 4.078) 8.114 7.376 ( 6.615 2.895 -18.750) 20.092 7.667 ( 4.564 14.107 2.678) 15.067 7.781 ( -4.044 -2.742 0.517) 4.913 8.091 ( -17.783 -12.266 0.850) 21.620 8.512 ( 2.271 11.554 4.586) 12.637 8.766 ( 1.231 -12.286 -0.803) 12.373 9.581 ( 0.326 11.063 10.263) 15.093 9.848 ( 0.296 -14.061 -0.146) 14.065 10.565 ( 0.645 20.192 -10.913) 22.961 11.046 ( 7.352 -17.149 -13.401) 22.972 11.463 ( 10.834 0.880 3.691) 11.479 11.698 ( 5.174 2.171 27.548) 28.114 12.425 ( -1.312 -0.013 -2.809) 3.100 13.421 ( -3.791 -1.338 -4.834) 6.287 13.816 ( 1.430 -2.730 6.016) 6.759 14.117 ( -11.496 -2.093 12.304) 16.968 14.931 ( 2.493 1.138 -26.633) 26.773 15.727 ( 1.422 3.657 -6.354) 7.468 15.851 ( -29.538 -3.466 -5.291) 30.207 17.798 ( -12.060 -0.715 -9.077) 15.111 18.584 ( 0.993 0.118 -7.857) 7.921 19.243 ( -7.872 1.452 -10.857) 13.489 20.259 ( -1.683 3.762 24.584) 24.927 21.261 ( 35.954 -6.376 22.858) 43.079 24.285 ( -1.274 -0.245 -3.671) 3.894 24.393 ( -4.001 -0.403 -5.060) 6.463 ======================= Grid point 141 (73/260) ======================= q-point: ( 0.20 0.44 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.351 ( 6.127 6.556 17.734) 19.875 2.553 ( 7.193 5.741 13.060) 15.976 3.340 ( -0.776 5.071 0.278) 5.137 3.442 ( 2.203 -3.100 -8.931) 9.708 4.136 ( 5.847 -5.233 10.571) 13.165 4.667 ( -9.218 2.742 -4.134) 10.468 5.382 ( 0.126 -1.689 -14.092) 14.194 5.914 ( 10.623 0.849 -6.531) 12.499 6.779 ( -9.645 1.694 10.709) 14.512 7.162 ( 11.016 4.248 8.582) 14.596 7.378 ( -13.754 6.934 -8.742) 17.712 7.539 ( -13.419 0.838 3.567) 13.910 7.704 ( 6.671 -4.552 -1.097) 8.150 8.022 ( 7.565 -1.957 2.945) 8.351 8.566 ( 1.094 9.461 1.675) 9.670 8.766 ( -0.451 -9.635 -0.053) 9.646 9.528 ( -5.293 10.717 8.673) 14.767 9.793 ( -5.487 -12.666 -1.858) 13.927 10.669 ( 8.421 23.200 -5.779) 25.349 11.203 ( 7.071 -18.748 -11.966) 23.338 11.643 ( 6.189 1.150 0.025) 6.295 11.821 ( 4.518 -0.062 35.579) 35.865 12.372 ( -4.252 1.759 -5.592) 7.242 13.319 ( -6.213 -1.430 -2.043) 6.695 13.641 ( -24.427 -2.547 7.264) 25.611 13.882 ( 2.989 -4.291 5.327) 7.465 15.067 ( -37.656 0.522 -0.589) 37.665 15.254 ( 20.852 1.223 -26.791) 33.971 15.851 ( 9.186 2.525 -15.163) 17.907 17.641 ( -4.358 -3.117 -3.856) 6.601 18.560 ( -1.860 0.733 -6.227) 6.540 19.042 ( -10.006 0.603 -5.650) 11.507 20.152 ( -9.466 2.815 24.096) 26.041 21.968 ( 28.476 -6.727 17.039) 33.859 24.260 ( -7.343 -0.446 -7.012) 10.163 24.281 ( -0.055 -0.996 -4.129) 4.248 ======================= Grid point 142 (74/260) ======================= q-point: ( 0.30 0.44 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.443 ( 1.389 13.239 13.947) 19.280 2.679 ( 3.365 -4.417 15.471) 16.437 3.250 ( -6.366 -2.613 7.369) 10.082 3.519 ( 5.610 -0.344 -14.347) 15.408 4.344 ( 10.630 -2.977 0.849) 11.071 4.500 ( -3.483 -2.523 -4.155) 5.980 5.461 ( 7.337 0.167 -14.120) 15.914 6.044 ( -1.151 1.307 -8.224) 8.406 6.704 ( 4.293 1.364 11.152) 12.027 6.948 ( -17.368 4.319 -12.658) 21.921 7.187 ( -14.359 -2.014 8.408) 16.761 7.488 ( 7.626 -1.498 3.578) 8.556 7.905 ( 10.180 7.146 0.238) 12.440 8.224 ( 10.777 -3.328 8.653) 14.217 8.477 ( -8.753 3.427 -4.780) 10.545 8.828 ( 5.943 0.298 6.109) 8.528 9.391 ( -8.082 6.616 10.548) 14.844 9.637 ( -8.664 -10.091 -2.421) 13.519 10.845 ( 6.925 24.629 -6.036) 26.286 11.249 ( -3.336 -12.278 0.590) 12.737 11.732 ( 2.879 3.528 -0.861) 4.634 11.933 ( 5.837 -6.628 21.534) 23.275 12.232 ( -8.436 -0.941 -4.128) 9.438 13.126 ( -12.099 -2.326 7.943) 14.659 13.275 ( -9.700 -5.404 -7.998) 13.685 13.956 ( 3.048 -4.612 4.392) 7.061 14.399 ( -24.959 1.449 2.827) 25.161 15.548 ( 6.352 2.669 -2.846) 7.454 16.195 ( 25.539 2.622 -37.708) 45.618 17.565 ( -3.250 -3.013 -3.147) 5.435 18.523 ( -1.237 2.366 -5.659) 6.257 18.863 ( -6.238 -0.974 -0.802) 6.364 19.899 ( -15.873 1.094 23.330) 28.239 22.444 ( 17.053 -5.914 13.118) 22.313 24.045 ( -11.709 -2.007 -8.732) 14.744 24.313 ( 2.252 -0.330 -4.280) 4.847 ======================= Grid point 143 (75/260) ======================= q-point: ( 0.40 0.44 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.409 ( -4.968 10.832 13.377) 17.915 2.690 ( -2.605 -12.170 12.704) 17.784 3.151 ( -2.859 0.216 0.670) 2.944 3.634 ( 4.984 -3.030 -9.814) 11.416 4.342 ( -3.082 5.598 0.233) 6.395 4.734 ( 17.690 -9.780 -8.054) 21.759 5.632 ( 8.873 1.412 -11.770) 14.807 5.862 ( -13.495 -1.417 -2.029) 13.720 6.688 ( -6.018 2.208 -8.087) 10.319 6.819 ( -5.819 7.116 3.113) 9.705 6.999 ( 5.583 -6.567 3.322) 9.237 7.566 ( -0.464 1.620 -8.520) 8.685 8.038 ( -2.794 4.261 10.849) 11.986 8.325 ( 2.143 8.674 -1.362) 9.038 8.472 ( 10.570 -6.103 2.387) 12.437 8.935 ( 1.114 3.787 12.336) 12.952 9.214 ( -9.060 0.230 11.636) 14.749 9.491 ( -2.831 -5.334 -1.742) 6.285 10.813 ( -11.006 12.015 1.878) 16.402 11.210 ( 2.907 5.609 2.806) 6.913 11.769 ( 0.452 5.568 -3.318) 6.497 12.025 ( -3.913 -3.758 -1.026) 5.521 12.137 ( 6.886 -13.795 3.888) 15.901 12.895 ( -11.222 -4.893 5.198) 13.300 13.152 ( -2.000 -3.257 -1.711) 4.187 13.926 ( -8.867 -1.133 1.930) 9.145 14.100 ( -2.246 -2.347 3.553) 4.814 15.585 ( -0.993 2.487 0.931) 2.835 16.784 ( 31.189 5.354 -38.153) 49.569 17.497 ( -2.996 -1.827 -5.013) 6.119 18.503 ( -0.530 5.440 -4.516) 7.090 18.795 ( -0.542 -3.648 2.941) 4.717 19.525 ( -20.987 -1.844 21.581) 30.160 22.710 ( 7.629 -4.666 9.680) 13.179 23.804 ( -9.387 -3.308 -9.458) 13.730 24.357 ( 1.989 -0.117 -4.215) 4.663 ======================= Grid point 144 (76/260) ======================= q-point: (-0.50 0.44 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.310 ( -3.636 -0.346 13.057) 13.559 2.609 ( -5.271 -5.867 5.545) 9.641 3.105 ( -2.132 1.669 -2.312) 3.561 3.673 ( -1.595 -4.936 -8.805) 10.220 4.317 ( 0.837 6.651 0.516) 6.723 5.099 ( 16.775 -9.864 -9.314) 21.575 5.571 ( -12.390 -2.431 1.296) 12.692 5.794 ( 6.649 2.191 -7.013) 9.909 6.646 ( -6.128 2.878 -1.159) 6.869 6.681 ( 4.207 1.862 -2.384) 5.182 7.122 ( -0.587 1.068 -5.576) 5.708 7.476 ( -7.265 2.268 -13.281) 15.308 7.906 ( -3.541 -0.343 8.916) 9.599 8.472 ( 6.438 8.613 7.430) 13.070 8.696 ( 10.367 -4.360 1.923) 11.410 8.837 ( -8.160 6.434 9.507) 14.084 9.049 ( -6.651 -6.563 8.582) 12.687 9.555 ( 6.654 0.268 6.502) 9.307 10.568 ( -9.148 4.243 2.638) 10.424 11.270 ( 0.455 10.230 -1.229) 10.314 11.750 ( -1.289 7.411 -4.618) 8.827 12.017 ( 5.176 -6.102 6.030) 10.019 12.322 ( 8.403 -11.659 -6.442) 15.749 12.638 ( -12.771 -6.183 4.092) 14.767 13.191 ( 5.079 -1.700 4.704) 7.128 13.757 ( -5.214 1.381 -3.184) 6.264 14.106 ( 0.208 -5.882 4.331) 7.307 15.546 ( -2.327 1.874 -1.209) 3.223 17.406 ( 22.086 8.693 -23.228) 33.210 17.451 ( 6.718 1.168 -13.584) 15.199 18.486 ( -1.551 8.246 -2.229) 8.682 18.830 ( 3.319 -5.735 6.873) 9.547 19.065 ( -23.139 -7.767 15.615) 28.975 22.734 ( -6.179 -4.044 3.455) 8.153 23.723 ( 3.119 -3.479 -6.361) 7.893 24.385 ( 0.849 -0.035 -4.005) 4.095 ======================= Grid point 145 (77/260) ======================= q-point: (-0.40 0.44 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.287 ( -0.138 0.096 8.893) 8.895 2.488 ( -6.155 -2.120 2.579) 7.002 3.060 ( -1.540 1.178 -2.985) 3.560 3.551 ( -9.003 -6.466 -11.831) 16.212 4.386 ( 5.962 8.096 0.810) 10.087 5.252 ( -6.409 -9.793 11.840) 16.648 5.533 ( 13.133 -1.765 -13.402) 18.847 5.893 ( 3.039 2.986 -0.027) 4.260 6.580 ( -0.274 4.726 -8.284) 9.541 6.791 ( -0.139 1.554 0.586) 1.667 6.967 ( -6.027 1.166 -8.146) 10.200 7.278 ( -9.797 -0.680 -10.864) 14.645 7.981 ( 8.610 -0.380 10.853) 13.858 8.520 ( -2.950 1.697 8.852) 9.483 8.615 ( -8.075 10.458 2.473) 13.442 8.869 ( -2.900 -14.107 4.385) 15.055 9.057 ( 11.137 5.696 5.420) 13.633 9.688 ( 5.236 0.046 10.447) 11.685 10.495 ( 1.858 3.441 -7.198) 8.191 11.211 ( -5.412 8.512 1.353) 10.177 11.705 ( -3.426 6.082 -7.753) 10.432 12.210 ( 5.771 0.301 5.351) 7.876 12.278 ( -7.321 -8.142 4.826) 11.966 12.599 ( 9.761 -11.741 -3.621) 15.692 13.335 ( 7.839 0.491 5.214) 9.427 13.752 ( 6.506 0.717 -6.966) 9.559 14.090 ( -1.943 -6.599 4.736) 8.352 15.499 ( -1.859 1.359 -3.149) 3.901 17.409 ( -0.231 0.383 -8.557) 8.569 17.988 ( 19.583 23.726 -10.329) 32.451 18.342 ( -12.874 4.475 6.448) 15.078 18.702 ( -6.208 -21.667 -2.502) 22.677 18.946 ( 7.235 -2.947 5.740) 9.694 22.495 ( -15.474 -4.387 -1.965) 16.203 23.888 ( 11.026 -1.934 -3.220) 11.648 24.391 ( -0.004 -0.062 -3.350) 3.351 ======================= Grid point 146 (78/260) ======================= q-point: (-0.30 0.44 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.250 ( -4.412 10.475 5.446) 12.603 2.369 ( -5.562 0.544 2.002) 5.937 3.067 ( 2.558 -2.268 -0.849) 3.523 3.335 ( -9.686 -8.062 -15.669) 20.108 4.561 ( 10.157 9.726 1.140) 14.109 5.074 ( -10.244 -5.608 22.398) 25.260 5.853 ( 15.980 -1.816 -15.561) 22.379 5.931 ( 1.407 3.621 5.325) 6.591 6.515 ( -17.165 -4.600 -1.210) 17.812 6.570 ( -2.248 10.398 -15.138) 18.502 7.043 ( 2.996 2.640 -8.021) 8.960 7.194 ( 7.292 -7.578 0.249) 10.519 8.186 ( 7.220 1.319 12.821) 14.774 8.366 ( -8.628 10.063 6.083) 14.584 8.517 ( -3.274 2.329 -0.673) 4.074 8.781 ( -3.024 -17.173 2.086) 17.562 9.299 ( 9.366 11.777 6.629) 16.443 9.798 ( 4.983 -5.105 6.630) 9.739 10.577 ( 5.052 3.418 -15.884) 17.015 11.077 ( -6.869 9.332 5.694) 12.911 11.583 ( -8.022 3.012 -12.325) 15.011 11.957 ( -13.760 -8.121 6.614) 17.292 12.459 ( 7.599 4.499 5.910) 10.626 12.828 ( 11.665 -8.614 -5.129) 15.381 13.501 ( 7.169 -0.352 3.763) 8.104 14.010 ( 0.167 -4.817 7.317) 8.762 14.122 ( 24.676 -1.679 -8.726) 26.227 15.468 ( -0.935 0.863 -3.800) 4.008 17.410 ( -1.705 6.505 -5.750) 8.848 17.706 ( -26.335 1.700 20.848) 33.632 18.457 ( 6.441 9.920 -9.149) 14.953 18.817 ( 16.463 -12.145 -22.910) 30.715 19.154 ( 12.962 -3.918 14.473) 19.820 22.110 ( -21.586 -4.182 -3.377) 22.245 24.120 ( 10.518 -0.124 -2.751) 10.873 24.388 ( -0.031 -0.346 -2.096) 2.125 ======================= Grid point 147 (79/260) ======================= q-point: (-0.20 0.44 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.131 ( -6.546 8.396 8.536) 13.646 2.262 ( -4.027 12.589 0.137) 13.218 3.129 ( 0.597 -2.357 -2.087) 3.204 3.189 ( -0.937 -9.389 -12.580) 15.725 4.746 ( 3.261 10.336 8.596) 13.833 4.872 ( -7.123 -2.017 18.416) 19.848 5.905 ( -3.495 11.171 7.637) 13.976 6.175 ( -13.451 -6.128 -2.346) 14.966 6.214 ( 15.910 -2.354 -14.070) 21.369 6.500 ( -0.161 3.679 -4.537) 5.844 7.156 ( 8.723 0.399 -8.809) 12.404 7.428 ( 11.354 -5.691 -2.434) 12.931 8.097 ( -11.219 12.341 2.980) 16.943 8.290 ( -3.630 -1.250 7.639) 8.549 8.470 ( -0.661 -3.160 0.557) 3.276 8.845 ( 8.896 -10.333 7.346) 15.488 9.414 ( 0.819 14.230 5.445) 15.258 9.878 ( 1.614 -10.069 1.579) 10.319 10.654 ( 3.120 2.776 -18.635) 19.098 10.974 ( -2.324 8.599 8.643) 12.411 11.358 ( -12.487 1.304 -17.050) 21.174 11.720 ( -8.968 -6.596 9.952) 14.933 12.529 ( -0.354 1.812 3.049) 3.565 13.103 ( 15.153 -0.019 -7.270) 16.807 13.618 ( 4.095 -1.839 0.902) 4.578 13.936 ( -4.455 -4.337 7.563) 9.791 14.903 ( 44.647 -2.252 -6.599) 45.188 15.456 ( -0.109 0.481 -2.692) 2.736 16.944 ( -34.063 6.838 18.274) 39.256 17.613 ( 9.381 -6.180 -3.747) 11.842 18.494 ( -0.465 1.887 -9.925) 10.113 19.131 ( 12.358 0.465 -26.097) 28.879 19.523 ( 20.277 -2.632 22.737) 30.578 21.578 ( -29.439 -3.032 -0.443) 29.598 24.298 ( 6.260 2.065 -3.090) 7.280 24.391 ( 0.558 -1.623 -0.805) 1.896 ======================= Grid point 148 (80/260) ======================= q-point: (-0.10 0.44 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.030 ( -2.596 8.391 11.750) 14.670 2.219 ( -0.064 12.664 3.145) 13.049 3.113 ( 1.336 -1.870 -16.209) 16.371 3.250 ( 3.826 -5.278 4.908) 8.160 4.574 ( -13.005 3.484 29.767) 32.670 4.910 ( 2.837 7.847 -3.732) 9.141 5.782 ( -7.311 8.870 5.499) 12.742 5.886 ( -12.684 -0.434 -0.564) 12.704 6.554 ( 15.259 0.957 -11.295) 19.009 6.636 ( 11.690 -4.883 3.693) 13.196 7.332 ( 7.228 7.429 -10.054) 14.440 7.566 ( 0.226 -8.859 -4.857) 10.106 7.880 ( -7.632 9.075 1.637) 11.970 8.236 ( 0.683 1.147 1.576) 2.066 8.500 ( 3.080 -7.056 5.662) 9.556 9.011 ( 0.608 -4.391 7.688) 8.875 9.373 ( -0.786 10.761 8.851) 13.955 9.861 ( -2.304 -10.798 -1.680) 11.168 10.699 ( 1.777 5.129 -17.697) 18.511 11.002 ( 2.409 6.169 3.867) 7.669 11.096 ( -8.012 -2.234 -13.695) 16.023 11.601 ( -3.020 -3.395 12.984) 13.756 12.494 ( -2.306 -0.043 1.507) 2.754 13.399 ( 10.847 2.085 -6.806) 12.974 13.712 ( 7.456 -1.432 -5.939) 9.639 13.854 ( -3.467 -3.298 7.669) 9.039 15.447 ( -1.526 0.582 1.497) 2.216 15.784 ( 34.872 -4.239 -7.382) 35.896 16.239 ( -32.713 1.585 11.868) 34.835 17.938 ( 21.761 -2.756 -1.823) 22.010 18.431 ( -5.571 0.091 -17.207) 18.086 19.308 ( 6.003 1.436 -21.035) 21.922 19.932 ( 16.286 0.740 23.999) 29.012 20.942 ( -28.166 -1.457 10.435) 30.072 24.354 ( -0.240 2.390 -1.852) 3.033 24.424 ( 2.123 -1.751 -2.282) 3.575 ======================= Grid point 189 (81/260) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( -13.738 0.000 30.907) 33.822 1.483 ( 7.199 0.000 35.314) 36.040 2.343 ( 7.748 0.000 46.386) 47.029 3.838 ( 10.259 0.000 15.164) 18.308 3.945 ( 3.818 0.000 9.201) 9.962 4.522 ( -3.367 0.000 -22.592) 22.841 5.273 ( 16.445 0.000 -2.511) 16.636 5.457 ( 6.389 0.000 1.216) 6.504 6.002 ( 12.942 0.000 -16.666) 21.101 6.307 ( -10.982 0.000 -2.187) 11.198 6.764 ( -11.667 0.000 3.851) 12.286 7.667 ( -6.650 0.000 12.565) 14.217 7.990 ( -4.546 0.000 1.953) 4.948 8.392 ( 2.273 0.000 -10.336) 10.583 8.774 ( 2.919 0.000 1.350) 3.216 8.912 ( -3.994 0.000 13.377) 13.960 9.872 ( -3.830 0.000 8.723) 9.527 9.958 ( -13.053 0.000 -8.927) 15.814 10.461 ( 11.327 0.000 -12.999) 17.242 10.720 ( 4.239 0.000 -2.806) 5.084 11.795 ( -0.786 0.000 -2.950) 3.053 12.037 ( 32.476 0.000 -5.589) 32.953 12.429 ( 2.213 0.000 3.001) 3.729 12.516 ( 21.252 0.000 1.951) 21.342 13.682 ( 0.564 0.000 -7.689) 7.709 14.334 ( -7.423 0.000 2.219) 7.748 15.321 ( 6.774 0.000 -25.678) 26.556 15.338 ( -12.129 0.000 -1.778) 12.258 16.976 ( -80.353 0.000 4.905) 80.502 17.887 ( 19.674 0.000 -8.349) 21.372 18.636 ( 4.514 0.000 -1.497) 4.756 18.719 ( -10.287 0.000 -2.332) 10.548 20.464 ( -5.543 0.000 29.302) 29.822 22.882 ( 57.117 0.000 -7.867) 57.656 23.139 ( 3.301 0.000 6.576) 7.358 24.369 ( -3.796 0.000 -7.710) 8.594 ======================= Grid point 190 (82/260) ======================= q-point: ( 0.10 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( 8.992 0.000 29.554) 30.891 1.675 ( 12.471 0.000 25.976) 28.814 2.701 ( 19.912 0.000 33.597) 39.054 4.029 ( 6.476 0.000 16.631) 17.847 4.047 ( 6.219 0.000 15.744) 16.928 4.474 ( 0.994 0.000 -20.227) 20.251 5.560 ( 9.634 0.000 -13.159) 16.308 5.591 ( 5.886 0.000 -6.980) 9.131 6.076 ( -10.988 0.000 -3.790) 11.623 6.275 ( 11.127 0.000 -3.814) 11.762 6.766 ( 13.565 0.000 -4.343) 14.243 7.479 ( -10.738 0.000 13.769) 17.461 7.865 ( -7.528 0.000 0.770) 7.567 8.391 ( -1.045 0.000 -14.409) 14.447 8.802 ( -6.663 0.000 11.698) 13.463 8.866 ( 4.757 0.000 8.075) 9.372 9.690 ( -13.378 0.000 5.948) 14.641 9.723 ( -9.526 0.000 1.709) 9.678 10.682 ( 9.600 0.000 -9.829) 13.739 10.761 ( -0.272 0.000 0.836) 0.879 11.871 ( 7.632 0.000 -1.214) 7.728 11.978 ( -18.927 0.000 -11.412) 22.101 12.532 ( 7.518 0.000 3.203) 8.172 13.405 ( 28.996 0.000 -14.877) 32.590 13.747 ( 13.987 0.000 -7.752) 15.992 14.214 ( -4.069 0.000 -2.443) 4.746 14.768 ( -38.199 0.000 10.982) 39.746 15.356 ( -2.332 0.000 -19.790) 19.927 15.782 ( -23.413 0.000 21.555) 31.824 18.214 ( 6.622 0.000 -0.963) 6.692 18.491 ( -6.204 0.000 -4.404) 7.608 18.674 ( -0.176 0.000 -0.421) 0.457 20.310 ( -9.973 0.000 23.164) 25.220 23.268 ( 8.018 0.000 7.511) 10.986 23.910 ( 34.399 0.000 -25.366) 42.740 24.265 ( -5.291 0.000 -9.559) 10.925 ======================= Grid point 191 (83/260) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( 22.980 0.000 20.934) 31.085 2.017 ( 17.709 0.000 12.751) 21.822 3.111 ( 17.456 0.000 15.560) 23.385 4.112 ( 1.008 0.000 14.441) 14.476 4.230 ( 9.880 0.000 20.313) 22.588 4.557 ( 7.419 0.000 -18.729) 20.145 5.659 ( 1.563 0.000 -23.031) 23.084 5.670 ( 1.101 0.000 -16.593) 16.629 5.860 ( -8.159 0.000 -2.258) 8.465 6.471 ( 9.482 0.000 6.907) 11.731 7.235 ( 27.071 0.000 -1.785) 27.130 7.284 ( -7.893 0.000 16.910) 18.661 7.695 ( -7.371 0.000 -1.522) 7.526 8.353 ( -1.977 0.000 -12.517) 12.673 8.669 ( -6.282 0.000 9.690) 11.548 8.928 ( -1.630 0.000 9.726) 9.861 9.372 ( -14.381 0.000 3.939) 14.911 9.545 ( -8.042 0.000 5.757) 9.891 10.708 ( -5.135 0.000 6.353) 8.168 10.841 ( 6.087 0.000 -7.945) 10.009 11.450 ( -28.468 0.000 -5.808) 29.054 12.085 ( 12.502 0.000 -0.376) 12.507 12.736 ( 11.394 0.000 2.933) 11.765 13.412 ( -9.658 0.000 12.677) 15.937 13.996 ( -2.454 0.000 -12.168) 12.413 14.149 ( -2.508 0.000 -8.275) 8.647 14.629 ( 22.302 0.000 -14.405) 26.550 15.211 ( -10.331 0.000 -9.881) 14.296 15.588 ( -2.551 0.000 12.383) 12.643 18.011 ( -17.074 0.000 3.100) 17.353 18.603 ( 8.074 0.000 -8.722) 11.886 18.629 ( -4.231 0.000 -0.469) 4.257 20.118 ( -8.174 0.000 18.802) 20.502 23.444 ( 7.721 0.000 7.558) 10.804 24.087 ( -6.916 0.000 -15.389) 16.872 24.363 ( 9.662 0.000 -17.198) 19.726 ======================= Grid point 192 (84/260) ======================= q-point: ( 0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.119 ( 24.330 0.000 13.452) 27.801 2.363 ( 13.991 0.000 4.049) 14.565 3.429 ( 12.405 0.000 1.390) 12.482 4.088 ( -4.401 0.000 14.568) 15.218 4.439 ( 8.178 0.000 19.141) 20.815 4.737 ( 10.309 0.000 -16.911) 19.806 5.537 ( -10.521 0.000 -19.602) 22.247 5.628 ( -2.850 0.000 -28.930) 29.070 5.854 ( 6.819 0.000 -7.757) 10.328 6.691 ( 10.084 0.000 10.782) 14.762 7.183 ( -2.918 0.000 20.963) 21.165 7.456 ( -4.499 0.000 6.422) 7.841 7.919 ( 26.179 0.000 3.106) 26.362 8.283 ( -4.472 0.000 -8.213) 9.351 8.573 ( -1.764 0.000 3.804) 4.193 8.673 ( -21.075 0.000 7.224) 22.279 9.271 ( 3.387 0.000 2.806) 4.398 9.393 ( -6.644 0.000 1.635) 6.843 10.521 ( -14.766 0.000 13.265) 19.850 10.921 ( -18.955 0.000 -2.385) 19.105 10.928 ( 2.685 0.000 -6.459) 6.995 12.377 ( 15.375 0.000 -1.160) 15.418 12.979 ( 10.936 0.000 1.636) 11.058 13.264 ( -4.615 0.000 9.322) 10.401 13.947 ( -1.422 0.000 -11.255) 11.345 14.059 ( -6.961 0.000 -15.090) 16.619 14.959 ( -12.073 0.000 3.915) 12.692 15.037 ( 14.610 0.000 -17.361) 22.691 15.623 ( 5.287 0.000 8.877) 10.332 17.642 ( -17.651 0.000 -4.228) 18.151 18.501 ( -7.601 0.000 -1.192) 7.694 18.687 ( 0.391 0.000 -6.422) 6.434 20.034 ( -0.300 0.000 16.262) 16.265 23.573 ( 4.050 0.000 7.168) 8.233 23.923 ( -7.562 0.000 -18.360) 19.857 24.458 ( 1.623 0.000 -11.861) 11.971 ======================= Grid point 193 (85/260) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.570 ( 5.168 0.000 0.582) 5.201 2.588 ( 19.589 0.000 6.959) 20.788 3.613 ( 5.172 0.000 -10.185) 11.423 3.936 ( -10.854 0.000 15.524) 18.942 4.553 ( 1.369 0.000 13.596) 13.665 4.937 ( 7.794 0.000 -9.090) 11.974 5.305 ( -9.007 0.000 -23.220) 24.906 5.523 ( -5.603 0.000 -28.959) 29.496 6.104 ( 17.915 0.000 -13.056) 22.168 6.802 ( -1.924 0.000 11.590) 11.749 7.153 ( -2.211 0.000 21.728) 21.840 7.473 ( 7.625 0.000 7.789) 10.900 8.149 ( -10.440 0.000 7.183) 12.672 8.234 ( -16.209 0.000 -5.847) 17.231 8.245 ( 2.450 0.000 23.253) 23.382 8.777 ( 21.984 0.000 -8.171) 23.453 9.266 ( -5.806 0.000 -9.776) 11.370 9.393 ( 6.745 0.000 2.016) 7.040 10.157 ( -16.514 0.000 15.471) 22.628 10.670 ( -7.769 0.000 5.341) 9.428 10.944 ( -0.980 0.000 -6.020) 6.099 12.719 ( 17.478 0.000 -5.200) 18.235 13.154 ( 4.978 0.000 0.314) 4.988 13.193 ( -3.822 0.000 3.017) 4.869 13.804 ( -16.446 0.000 -14.729) 22.077 13.911 ( -1.475 0.000 -10.412) 10.516 14.782 ( -4.589 0.000 11.734) 12.600 15.241 ( 7.385 0.000 -7.726) 10.688 15.791 ( 9.243 0.000 3.257) 9.800 17.290 ( -15.321 0.000 -12.465) 19.751 18.341 ( -6.891 0.000 -2.230) 7.243 18.648 ( -2.634 0.000 -5.761) 6.335 20.106 ( 5.528 0.000 16.734) 17.623 23.616 ( -0.151 0.000 6.507) 6.509 23.754 ( -7.774 0.000 -22.835) 24.123 24.463 ( 0.075 0.000 -8.512) 8.512 ======================= Grid point 194 (86/260) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.550 ( -7.800 0.000 0.008) 7.800 2.928 ( 12.677 0.000 0.874) 12.707 3.639 ( -1.299 0.000 -20.305) 20.347 3.666 ( -15.393 0.000 17.796) 23.530 4.501 ( -6.832 0.000 6.998) 9.780 4.899 ( -9.950 0.000 -17.456) 20.093 5.290 ( 7.667 0.000 -10.052) 12.642 5.372 ( -7.275 0.000 -23.209) 24.322 6.568 ( 26.068 0.000 -13.731) 29.463 6.651 ( -11.862 0.000 11.669) 16.639 7.071 ( -6.697 0.000 16.318) 17.639 7.701 ( 10.931 0.000 10.193) 14.946 7.844 ( -12.980 0.000 9.885) 16.315 8.101 ( -1.227 0.000 -4.256) 4.430 8.279 ( 2.786 0.000 21.049) 21.232 9.016 ( -10.416 0.000 -9.833) 14.325 9.301 ( 17.550 0.000 -4.545) 18.129 9.519 ( 4.705 0.000 2.947) 5.552 10.008 ( 3.256 0.000 9.517) 10.059 10.546 ( -4.949 0.000 11.553) 12.569 10.877 ( -5.173 0.000 -7.552) 9.153 13.032 ( 4.614 0.000 -13.452) 14.221 13.069 ( -8.394 0.000 -1.231) 8.484 13.177 ( 0.570 0.000 1.506) 1.611 13.466 ( -9.026 0.000 -6.543) 11.148 13.880 ( -1.049 0.000 -10.341) 10.394 14.762 ( 1.202 0.000 10.101) 10.172 15.392 ( 7.709 0.000 1.346) 7.826 15.983 ( 9.425 0.000 1.283) 9.511 17.012 ( -10.160 0.000 -17.636) 20.354 18.243 ( -1.944 0.000 -2.873) 3.469 18.608 ( -0.371 0.000 -7.621) 7.630 20.249 ( 6.598 0.000 20.630) 21.659 23.569 ( -8.967 0.000 -28.032) 29.432 23.581 ( -3.343 0.000 5.513) 6.448 24.464 ( 0.419 0.000 -6.546) 6.559 ======================= Grid point 195 (87/260) ======================= q-point: (-0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.239 ( -21.385 0.000 -2.097) 21.487 3.082 ( -1.445 0.000 -0.753) 1.630 3.359 ( -11.275 0.000 19.222) 22.285 3.560 ( -5.082 0.000 -21.740) 22.326 4.284 ( -13.753 0.000 3.421) 14.172 4.673 ( -8.693 0.000 -26.397) 27.791 5.216 ( -6.301 0.000 -15.773) 16.986 5.444 ( 5.313 0.000 2.359) 5.813 6.350 ( -16.802 0.000 10.169) 19.640 6.935 ( -4.506 0.000 8.354) 9.492 7.097 ( 20.680 0.000 -9.081) 22.586 7.686 ( -0.227 0.000 7.034) 7.037 7.875 ( 4.932 0.000 7.230) 8.752 8.148 ( 5.534 0.000 -0.175) 5.537 8.410 ( 7.138 0.000 18.521) 19.849 8.703 ( -15.303 0.000 -2.793) 15.556 9.583 ( 1.320 0.000 6.068) 6.210 9.659 ( 16.551 0.000 0.009) 16.551 10.209 ( 11.101 0.000 2.862) 11.464 10.484 ( -0.662 0.000 11.879) 11.898 10.722 ( -8.987 0.000 -11.089) 14.273 12.791 ( -17.018 0.000 -4.530) 17.610 12.857 ( -11.097 0.000 -2.954) 11.484 13.065 ( -11.405 0.000 -0.640) 11.423 13.698 ( 22.647 0.000 -13.868) 26.555 13.846 ( -1.909 0.000 -11.882) 12.034 14.804 ( 1.611 0.000 7.378) 7.552 15.544 ( 5.605 0.000 7.401) 9.284 16.236 ( 16.551 0.000 4.703) 17.206 16.868 ( -2.350 0.000 -18.763) 18.910 18.255 ( 2.847 0.000 -2.858) 4.034 18.634 ( 3.325 0.000 -10.177) 10.706 20.383 ( 4.808 0.000 26.327) 26.762 23.345 ( -11.241 0.000 -33.587) 35.418 23.491 ( -5.370 0.000 4.362) 6.919 24.471 ( 0.422 0.000 -5.481) 5.497 ======================= Grid point 196 (88/260) ======================= q-point: (-0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( -26.820 0.000 -1.706) 26.874 2.764 ( -23.585 0.000 16.405) 28.729 3.340 ( 3.721 0.000 5.371) 6.534 3.377 ( -13.317 0.000 -8.222) 15.651 3.988 ( -12.576 0.000 2.543) 12.831 4.549 ( -1.619 0.000 -31.138) 31.180 5.097 ( -4.722 0.000 -9.846) 10.919 5.479 ( -2.114 0.000 9.426) 9.660 6.014 ( -14.284 0.000 2.772) 14.550 6.867 ( -3.853 0.000 7.829) 8.726 7.331 ( 6.608 0.000 -6.206) 9.065 7.901 ( -3.829 0.000 -3.068) 4.906 7.924 ( 17.192 0.000 10.370) 20.077 8.283 ( -14.641 0.000 12.387) 19.178 8.319 ( 11.272 0.000 -8.050) 13.851 8.700 ( 9.834 0.000 12.401) 15.826 9.595 ( 0.164 0.000 10.575) 10.576 9.998 ( 15.782 0.000 -0.850) 15.805 10.348 ( 3.473 0.000 18.964) 19.279 10.515 ( -9.484 0.000 -15.016) 17.760 10.556 ( 4.859 0.000 -5.257) 7.159 12.452 ( -14.980 0.000 -3.567) 15.399 12.641 ( -8.770 0.000 -2.121) 9.022 12.796 ( -13.360 0.000 1.622) 13.458 13.788 ( -2.855 0.000 -13.321) 13.624 14.190 ( 23.914 0.000 -18.287) 30.105 14.815 ( -1.020 0.000 3.557) 3.701 15.606 ( 0.178 0.000 7.587) 7.589 16.727 ( 30.285 0.000 14.011) 33.369 16.903 ( 6.624 0.000 -17.007) 18.251 18.333 ( 4.081 0.000 -2.878) 4.994 18.728 ( 5.803 0.000 -11.758) 13.112 20.469 ( 2.029 0.000 32.063) 32.128 23.047 ( -16.162 0.000 -38.513) 41.767 23.368 ( -6.494 0.000 3.605) 7.427 24.472 ( -0.088 0.000 -5.166) 5.167 ======================= Grid point 197 (89/260) ======================= q-point: (-0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( -14.135 0.000 13.986) 19.885 2.233 ( -27.363 0.000 21.164) 34.592 2.968 ( -24.746 0.000 16.611) 29.804 3.447 ( 6.439 0.000 6.858) 9.407 3.834 ( -2.310 0.000 0.903) 2.480 4.555 ( 2.848 0.000 -32.936) 33.059 5.006 ( -3.161 0.000 -3.675) 4.847 5.405 ( -4.222 0.000 12.732) 13.414 5.812 ( -4.370 0.000 -8.548) 9.601 6.736 ( -8.725 0.000 5.257) 10.187 7.517 ( 10.684 0.000 -0.928) 10.725 7.628 ( -20.686 0.000 -4.961) 21.272 8.109 ( -3.491 0.000 10.261) 10.838 8.192 ( 7.642 0.000 12.143) 14.347 8.586 ( 12.254 0.000 -13.915) 18.542 8.880 ( 5.730 0.000 12.947) 14.158 9.646 ( 5.268 0.000 13.806) 14.777 10.297 ( 11.964 0.000 -4.904) 12.930 10.345 ( -5.317 0.000 -17.389) 18.184 10.459 ( 3.892 0.000 5.406) 6.661 10.617 ( 6.010 0.000 11.514) 12.988 12.156 ( -13.350 0.000 -5.624) 14.486 12.509 ( -3.835 0.000 -0.143) 3.838 12.556 ( -9.021 0.000 3.940) 9.844 13.725 ( -2.231 0.000 -13.206) 13.393 14.573 ( 7.157 0.000 -0.911) 7.215 14.825 ( 8.102 0.000 -19.015) 20.669 15.576 ( -3.025 0.000 5.330) 6.129 17.120 ( 14.603 0.000 -13.975) 20.213 17.486 ( 40.243 0.000 19.698) 44.805 18.393 ( 0.984 0.000 -4.910) 5.007 18.836 ( 4.340 0.000 -11.396) 12.195 20.507 ( 0.065 0.000 35.835) 35.835 22.610 ( -23.683 0.000 -37.514) 44.364 23.234 ( -6.210 0.000 3.791) 7.276 24.461 ( -0.795 0.000 -5.451) 5.509 ======================= Grid point 198 (90/260) ======================= q-point: (-0.10 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( 10.282 0.000 35.749) 37.198 1.684 ( -25.426 0.000 25.529) 36.031 2.476 ( -20.289 0.000 37.264) 42.429 3.619 ( 9.481 0.000 11.285) 14.739 3.859 ( 3.570 0.000 4.436) 5.694 4.580 ( 0.056 0.000 -29.468) 29.468 5.017 ( 5.976 0.000 1.105) 6.078 5.368 ( 0.971 0.000 10.137) 10.183 5.819 ( 5.173 0.000 -15.739) 16.567 6.533 ( -10.594 0.000 1.148) 10.656 7.150 ( -23.057 0.000 0.448) 23.061 7.693 ( 4.190 0.000 7.655) 8.727 8.060 ( -2.561 0.000 4.435) 5.121 8.312 ( 4.741 0.000 1.124) 4.873 8.733 ( 2.888 0.000 -7.849) 8.363 8.945 ( 0.198 0.000 13.593) 13.594 9.817 ( 7.890 0.000 13.231) 15.405 10.249 ( -12.504 0.000 -18.941) 22.696 10.303 ( 2.980 0.000 -17.559) 17.810 10.587 ( 8.552 0.000 -3.698) 9.317 11.091 ( 37.604 0.000 30.072) 48.149 11.908 ( -9.349 0.000 -5.063) 10.631 12.435 ( -2.958 0.000 3.615) 4.671 12.460 ( -1.495 0.000 -0.327) 1.530 13.688 ( -0.702 0.000 -11.288) 11.310 14.502 ( -8.056 0.000 6.262) 10.204 15.109 ( 14.450 0.000 -28.950) 32.356 15.494 ( -5.121 0.000 2.100) 5.535 17.475 ( 19.479 0.000 -11.001) 22.371 18.095 ( -10.123 0.000 -2.876) 10.524 18.406 ( 13.815 0.000 -3.696) 14.301 18.858 ( -2.444 0.000 -7.819) 8.192 20.513 ( -1.384 0.000 34.896) 34.923 22.208 ( -1.874 0.000 -12.168) 12.311 23.135 ( -2.960 0.000 4.991) 5.803 24.431 ( -1.893 0.000 -6.275) 6.555 ======================= Grid point 199 (91/260) ======================= q-point: ( 0.00 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( 1.733 11.221 27.180) 29.456 1.733 ( 5.006 17.593 32.538) 37.327 2.506 ( -0.002 15.797 37.649) 40.829 3.790 ( 8.950 -3.700 13.797) 16.857 4.047 ( 3.446 9.652 9.368) 13.885 4.450 ( -4.379 -5.431 -16.619) 18.024 5.350 ( 15.362 6.639 -0.785) 16.754 5.493 ( 4.308 3.144 0.088) 5.334 6.076 ( 11.163 7.349 -17.203) 21.785 6.384 ( -10.031 8.028 -3.027) 13.200 6.797 ( -8.324 3.667 3.119) 9.616 7.619 ( -8.742 -3.997 12.670) 15.904 8.017 ( 0.569 2.018 -0.087) 2.099 8.429 ( -1.800 -0.154 -10.895) 11.044 8.705 ( 1.640 -0.640 15.900) 15.997 9.001 ( -1.296 5.097 0.126) 5.261 9.815 ( -6.503 -5.024 9.356) 12.453 9.917 ( -10.160 -4.069 -9.378) 14.413 10.384 ( 7.793 -6.367 -11.098) 14.982 10.817 ( 7.588 7.651 -4.667) 11.742 11.582 ( 13.648 -15.769 4.840) 21.410 11.921 ( 14.914 -5.550 6.888) 17.340 12.394 ( -5.128 1.813 -4.097) 6.810 12.888 ( 24.098 20.634 -9.065) 32.995 13.690 ( 1.882 0.747 -8.041) 8.292 14.316 ( -5.993 -2.174 5.147) 8.194 15.339 ( 1.903 1.989 -23.838) 23.997 15.366 ( -8.338 2.505 -2.616) 9.091 16.824 ( -65.049 -14.196 3.534) 66.674 17.860 ( 9.942 -2.116 -7.455) 12.605 18.541 ( -1.358 -6.176 -2.044) 6.645 18.827 ( -0.756 7.120 -4.637) 8.531 20.484 ( -4.468 2.066 29.372) 29.781 22.172 ( 39.001 -36.930 17.269) 56.419 23.706 ( 13.778 25.217 -11.079) 30.797 24.367 ( -3.947 -0.268 -7.425) 8.413 ======================= Grid point 200 (92/260) ======================= q-point: ( 0.10 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( 10.699 23.478 19.850) 32.554 1.815 ( 7.325 13.772 25.728) 30.088 2.746 ( 16.595 4.603 30.593) 35.107 3.970 ( 7.002 -5.043 16.647) 18.751 4.134 ( 5.026 8.021 14.892) 17.646 4.400 ( 1.154 -5.821 -16.730) 17.751 5.539 ( 4.055 1.047 -5.113) 6.609 5.668 ( 8.915 2.429 -11.913) 15.077 6.131 ( -9.250 6.146 -7.688) 13.507 6.354 ( 9.553 8.612 -2.871) 13.178 6.816 ( 10.746 5.295 -3.164) 12.391 7.424 ( -8.639 -3.569 11.358) 14.710 7.983 ( -3.624 9.221 1.571) 10.031 8.357 ( -4.163 -3.771 -11.281) 12.602 8.715 ( -3.164 -5.610 16.524) 17.735 8.978 ( 1.003 8.577 0.576) 8.655 9.562 ( -14.525 -8.597 4.030) 17.353 9.784 ( -5.904 2.084 2.600) 6.779 10.506 ( 3.446 -10.052 -6.141) 12.273 10.960 ( 6.245 11.914 -3.004) 13.783 11.707 ( 2.193 -9.540 -1.470) 9.899 12.114 ( -6.285 6.898 -5.434) 10.799 12.378 ( 10.435 -11.203 5.713) 16.341 13.431 ( 14.910 0.891 -10.142) 18.055 13.848 ( 18.434 7.237 -18.588) 27.161 14.232 ( -1.323 1.485 1.311) 2.382 14.824 ( -41.069 4.795 11.906) 43.028 15.311 ( -4.561 -3.314 -14.681) 15.726 15.764 ( -22.210 -1.565 9.999) 24.407 18.088 ( 4.899 -10.694 -0.464) 11.772 18.476 ( -1.605 -0.890 -5.889) 6.168 18.776 ( -2.621 7.882 -1.558) 8.452 20.352 ( -9.081 4.178 23.410) 25.455 22.899 ( 25.564 -28.495 9.589) 39.464 24.061 ( 17.027 8.992 -18.053) 26.395 24.258 ( -5.534 -0.670 -8.923) 10.521 ======================= Grid point 201 (93/260) ======================= q-point: ( 0.20 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.758 ( 13.134 14.543 20.883) 28.637 2.131 ( 18.814 10.534 10.561) 24.010 3.104 ( 15.626 -0.507 13.638) 20.747 4.072 ( 1.801 -4.491 16.285) 16.988 4.281 ( 7.678 5.341 18.316) 20.566 4.497 ( 8.811 -5.097 -17.172) 19.962 5.598 ( 1.899 -0.408 -15.072) 15.197 5.719 ( -3.651 -2.151 -13.043) 13.714 5.967 ( -3.942 10.738 -11.106) 15.943 6.527 ( 8.422 5.894 4.367) 11.169 7.011 ( -1.174 -7.944 4.981) 9.450 7.471 ( 18.650 7.152 4.050) 20.380 7.887 ( -5.328 16.574 6.405) 18.551 8.266 ( -3.649 -8.127 -9.850) 13.281 8.616 ( -5.693 -5.396 10.596) 13.184 8.984 ( -5.450 5.246 5.334) 9.256 9.272 ( -9.523 -6.015 3.459) 11.783 9.651 ( -6.952 6.891 3.996) 10.573 10.513 ( -2.623 -11.360 -1.018) 11.703 11.068 ( 4.066 14.145 -1.762) 14.823 11.490 ( -22.733 3.592 -3.921) 23.346 12.096 ( 8.483 1.116 -1.727) 8.729 12.649 ( 13.306 -7.516 6.630) 16.658 13.444 ( -7.263 1.959 8.364) 11.249 13.981 ( -7.380 -2.467 -12.486) 14.712 14.169 ( -5.571 2.760 -2.582) 6.732 14.636 ( 22.471 0.573 -13.715) 26.332 15.131 ( -11.779 -7.286 -8.532) 16.267 15.573 ( -2.114 -1.145 7.426) 7.806 17.959 ( -13.506 -5.046 0.941) 14.449 18.542 ( 3.719 -3.244 -4.856) 6.924 18.717 ( -2.499 5.563 -3.821) 7.197 20.169 ( -8.367 5.106 18.858) 21.253 23.282 ( 12.540 -15.364 8.259) 21.482 24.085 ( -7.405 -0.257 -14.843) 16.590 24.338 ( 7.308 -2.324 -13.501) 15.527 ======================= Grid point 202 (94/260) ======================= q-point: ( 0.30 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.090 ( 16.754 0.422 14.030) 21.857 2.510 ( 16.023 11.136 4.275) 19.976 3.391 ( 11.267 -3.372 -0.025) 11.761 4.055 ( -4.623 -4.183 15.939) 17.115 4.436 ( 5.786 -0.115 15.240) 16.302 4.723 ( 12.905 -1.128 -15.121) 19.911 5.524 ( -9.685 -1.766 -20.311) 22.571 5.625 ( -1.293 0.532 -17.203) 17.260 5.975 ( 4.993 9.995 -13.403) 17.449 6.741 ( 10.723 5.101 9.244) 15.048 6.898 ( -5.900 -13.474 10.217) 17.910 7.770 ( -3.585 15.426 3.983) 16.330 7.974 ( 18.955 5.571 16.423) 25.691 8.202 ( -1.924 -6.403 -4.178) 7.884 8.520 ( -2.826 -3.905 3.374) 5.884 8.692 ( -15.776 1.267 1.543) 15.902 9.262 ( 4.123 2.221 3.119) 5.627 9.506 ( -6.713 7.995 0.666) 10.461 10.387 ( -10.000 -9.789 4.727) 14.771 10.994 ( -20.636 7.905 -1.356) 22.140 11.124 ( 0.985 14.698 -0.063) 14.731 12.342 ( 13.813 -3.564 -1.398) 14.333 12.908 ( 10.499 -6.123 5.383) 13.293 13.303 ( -5.157 2.635 6.445) 8.665 13.870 ( -2.940 -8.102 -10.040) 13.232 14.063 ( -7.118 1.128 -12.105) 14.088 14.818 ( -10.899 -11.016 2.242) 15.658 15.094 ( 14.407 3.020 -14.745) 20.835 15.621 ( 6.310 0.150 4.866) 7.970 17.639 ( -16.116 -0.516 -5.590) 17.066 18.484 ( -7.441 -1.722 -0.744) 7.674 18.713 ( 0.698 2.412 -5.928) 6.438 20.061 ( -2.435 2.727 16.313) 16.718 23.466 ( 5.035 -10.394 7.553) 13.800 23.919 ( -7.356 -0.659 -18.202) 19.644 24.414 ( 1.545 -4.006 -10.036) 10.916 ======================= Grid point 203 (95/260) ======================= q-point: ( 0.40 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.415 ( 12.425 -6.093 5.893) 15.041 2.778 ( 9.573 9.608 2.816) 13.852 3.561 ( 5.164 -4.464 -10.920) 12.878 3.891 ( -11.658 -5.067 16.433) 20.776 4.515 ( 0.629 -3.611 11.405) 11.980 4.982 ( 11.460 3.993 -10.373) 15.965 5.293 ( -9.998 -1.487 -22.327) 24.508 5.569 ( -3.497 4.161 -24.773) 25.362 6.170 ( 14.581 6.020 -11.954) 19.793 6.726 ( -6.836 -10.208 10.859) 16.397 7.020 ( 9.132 0.009 14.608) 17.227 7.705 ( -2.547 13.373 6.747) 15.194 8.051 ( -12.489 -9.470 10.509) 18.870 8.116 ( -1.218 -5.086 5.350) 7.482 8.418 ( -5.336 10.808 10.158) 15.763 8.803 ( 20.588 2.551 -2.169) 20.859 9.281 ( -6.319 1.142 -9.130) 11.162 9.466 ( 6.442 7.804 2.133) 10.342 10.122 ( -13.222 -3.724 8.529) 16.168 10.691 ( -9.207 5.159 3.410) 11.091 11.112 ( -2.196 13.536 -0.642) 13.728 12.648 ( 15.498 -7.069 -4.736) 17.680 13.060 ( 3.155 -7.370 4.100) 9.004 13.216 ( -4.594 -0.438 -1.441) 4.834 13.789 ( -11.775 -2.205 -9.772) 15.460 13.842 ( -5.353 -5.583 -8.208) 11.278 14.663 ( -3.157 -9.937 8.595) 13.512 15.312 ( 7.550 5.351 -5.253) 10.641 15.822 ( 11.807 3.414 -1.899) 12.436 17.311 ( -14.410 1.882 -12.673) 19.282 18.325 ( -6.509 -1.249 -1.965) 6.913 18.689 ( -2.435 3.665 -5.304) 6.892 20.083 ( 3.216 -2.268 17.027) 17.476 23.499 ( -2.499 -9.879 3.031) 10.632 23.774 ( -5.074 0.126 -18.745) 19.420 24.424 ( 0.363 -3.653 -7.574) 8.417 ======================= Grid point 204 (96/260) ======================= q-point: (-0.50 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.526 ( -3.685 -1.924 1.021) 4.280 2.952 ( 8.264 2.193 0.616) 8.572 3.549 ( -11.195 -8.561 -2.419) 14.300 3.650 ( -6.174 -1.861 1.031) 6.531 4.461 ( -6.404 -4.036 6.849) 10.208 4.993 ( -8.940 8.191 -20.665) 23.959 5.286 ( 9.500 0.099 -8.348) 12.647 5.454 ( -5.868 7.562 -22.910) 24.830 6.508 ( 5.803 -4.916 1.843) 7.825 6.620 ( 6.775 -4.646 -0.103) 8.216 7.076 ( -4.632 2.512 14.748) 15.661 7.647 ( -4.432 -3.757 2.872) 6.481 7.876 ( -0.565 0.866 10.345) 10.397 8.152 ( 3.961 3.135 -0.692) 5.099 8.369 ( 0.074 10.712 19.346) 22.114 9.015 ( -12.385 -0.365 -9.330) 15.510 9.222 ( 12.818 -5.130 5.475) 14.852 9.673 ( 10.298 12.737 -3.053) 16.662 9.971 ( 0.410 -3.705 6.464) 7.462 10.563 ( -3.979 4.230 7.399) 9.406 11.029 ( -5.752 12.507 -2.425) 13.978 12.930 ( 6.781 -10.247 -7.483) 14.387 12.982 ( -11.187 -8.316 -7.531) 15.844 13.156 ( 3.347 -2.661 2.666) 5.039 13.465 ( -13.050 0.793 -3.342) 13.495 13.830 ( 1.256 -5.487 -6.598) 8.673 14.664 ( 1.850 -8.113 6.703) 10.685 15.442 ( 5.374 3.144 2.513) 6.714 16.081 ( 13.168 10.049 -2.999) 16.833 17.048 ( -9.552 3.457 -17.382) 20.133 18.240 ( -1.394 -0.174 -2.973) 3.288 18.635 ( -1.727 2.592 -7.158) 7.806 20.188 ( 5.351 -6.160 20.989) 22.519 23.364 ( -9.674 -12.372 -10.017) 18.628 23.696 ( -2.201 3.505 -11.328) 12.060 24.431 ( 0.659 -3.155 -6.183) 6.972 ======================= Grid point 205 (97/260) ======================= q-point: (-0.40 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.273 ( -19.109 3.409 -1.227) 19.449 3.061 ( -7.010 -2.836 3.329) 8.262 3.241 ( -7.062 -9.525 11.143) 16.272 3.564 ( -4.492 -0.480 -17.249) 17.831 4.267 ( -11.772 -1.673 4.385) 12.673 4.810 ( -6.445 12.107 -27.484) 30.717 5.303 ( -5.970 8.600 -15.653) 18.831 5.478 ( 6.334 3.502 1.836) 7.467 6.313 ( -14.285 -4.188 10.758) 18.367 6.911 ( -0.232 -2.959 5.474) 6.227 7.047 ( 11.773 -3.482 -2.954) 12.627 7.597 ( 2.937 -6.001 4.001) 7.787 7.956 ( 4.697 4.774 6.830) 9.565 8.243 ( 4.288 8.027 -3.334) 9.693 8.460 ( 7.604 5.803 19.311) 21.550 8.688 ( -16.139 -1.103 -0.637) 16.189 9.464 ( 8.409 -6.816 5.353) 12.075 9.827 ( 7.358 11.131 -2.098) 13.507 10.102 ( 6.900 -7.972 5.836) 12.051 10.538 ( 1.757 6.410 5.831) 8.842 10.879 ( -7.926 12.542 -5.739) 15.908 12.678 ( -15.323 -8.432 -5.018) 18.195 12.852 ( -9.339 -4.211 -2.201) 10.478 13.094 ( -11.691 3.972 -1.124) 12.398 13.555 ( 17.027 -11.221 -8.514) 22.098 13.878 ( 5.337 -0.099 -10.143) 11.462 14.713 ( 1.926 -7.965 6.417) 10.408 15.535 ( 3.043 -1.420 5.958) 6.839 16.381 ( 15.792 14.170 1.319) 21.258 16.923 ( -0.449 5.269 -18.249) 18.999 18.251 ( 2.116 -0.362 -2.623) 3.389 18.635 ( 2.436 0.127 -10.301) 10.586 20.307 ( 4.604 -7.752 26.517) 28.008 23.108 ( -14.103 -15.984 -18.766) 28.399 23.649 ( -2.014 8.405 -8.412) 12.060 24.443 ( 0.746 -2.691 -5.392) 6.072 ======================= Grid point 206 (98/260) ======================= q-point: (-0.30 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.806 ( -23.507 8.868 0.263) 25.126 2.631 ( -26.213 -11.355 19.836) 34.778 3.313 ( 5.256 -0.749 -0.255) 5.315 3.422 ( -8.949 1.287 -8.604) 12.481 4.029 ( -9.510 3.959 2.941) 10.713 4.702 ( -2.755 14.213 -28.905) 32.328 5.183 ( -4.846 8.643 -10.629) 14.531 5.536 ( -1.292 5.737 10.763) 12.265 6.017 ( -12.473 -0.264 2.837) 12.794 6.868 ( -2.934 -0.107 6.556) 7.183 7.224 ( 6.488 -8.797 -5.905) 12.424 7.791 ( 8.205 -8.611 7.761) 14.202 7.988 ( -2.879 5.182 4.219) 7.276 8.357 ( 7.190 4.649 -7.409) 11.323 8.426 ( -4.546 7.371 5.088) 10.044 8.662 ( 9.126 -0.312 14.302) 16.968 9.554 ( 1.135 -4.285 8.148) 9.276 10.047 ( 13.015 3.943 -4.772) 14.413 10.189 ( 2.658 -8.551 10.175) 13.554 10.597 ( 1.108 6.295 7.918) 10.176 10.726 ( -5.416 12.509 -14.259) 19.727 12.375 ( -13.456 -6.366 -5.063) 15.723 12.647 ( -9.064 -0.906 0.645) 9.132 12.846 ( -11.156 5.048 0.394) 12.251 13.734 ( 1.195 -5.009 -10.351) 11.561 14.193 ( 22.960 -0.322 -16.900) 28.511 14.736 ( 0.174 -7.604 5.411) 9.335 15.570 ( 0.009 -3.509 6.213) 7.136 16.688 ( 12.081 0.539 0.155) 12.094 17.096 ( 19.669 14.756 -6.551) 25.446 18.310 ( 3.405 -2.244 -2.249) 4.657 18.713 ( 4.902 -1.441 -12.734) 13.721 20.400 ( 2.820 -7.172 31.908) 32.825 22.748 ( -19.935 -20.424 -23.216) 36.790 23.600 ( -2.337 14.202 -8.316) 16.623 24.453 ( 0.396 -1.898 -5.095) 5.451 ======================= Grid point 207 (99/260) ======================= q-point: (-0.20 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( -11.780 14.882 14.881) 24.118 2.081 ( -26.461 -10.433 26.064) 38.579 3.127 ( -17.992 10.686 6.692) 21.970 3.442 ( 6.300 -0.248 6.394) 8.980 3.924 ( -0.827 8.629 0.579) 8.688 4.645 ( -2.002 9.137 -26.238) 27.855 5.093 ( -2.903 8.502 -4.676) 10.128 5.467 ( -4.189 6.354 12.991) 15.056 5.863 ( -1.849 4.391 -9.859) 10.950 6.761 ( -7.344 2.513 3.525) 8.525 7.368 ( 2.275 -11.157 -2.532) 11.664 7.657 ( -10.180 0.390 0.644) 10.208 8.009 ( 0.818 -3.185 14.872) 15.231 8.388 ( 2.138 8.266 1.251) 8.629 8.627 ( 11.102 5.650 -9.731) 15.807 8.812 ( 5.168 -4.897 12.271) 14.188 9.606 ( 5.179 -4.215 12.436) 14.115 10.236 ( 2.638 -6.504 -10.861) 12.931 10.322 ( 9.583 1.258 -0.817) 9.700 10.575 ( -4.022 8.354 -3.680) 9.976 10.671 ( 4.957 5.379 8.914) 11.532 12.106 ( -12.090 -4.457 -5.530) 14.022 12.510 ( -3.924 1.256 2.642) 4.894 12.661 ( -5.944 8.415 0.764) 10.331 13.716 ( -1.334 -0.977 -11.301) 11.421 14.531 ( 2.815 -4.555 1.981) 5.709 14.840 ( 15.423 1.532 -19.697) 25.064 15.546 ( -2.370 -2.866 4.394) 5.756 16.937 ( 13.595 -12.203 -3.684) 18.636 17.674 ( 32.558 13.012 8.847) 36.161 18.379 ( 3.057 -1.551 -3.544) 4.930 18.782 ( 1.206 -5.055 -14.324) 15.238 20.463 ( 1.776 -4.461 35.272) 35.597 22.240 ( -27.286 -24.787 -20.377) 42.120 23.550 ( -1.694 20.452 -8.117) 22.069 24.452 ( -0.361 -0.921 -5.314) 5.405 ======================= Grid point 208 (100/260) ======================= q-point: (-0.10 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( 1.492 11.193 31.577) 33.536 1.654 ( -10.608 1.784 32.714) 34.437 2.729 ( -18.853 19.609 24.268) 36.454 3.600 ( 8.339 -1.369 10.478) 13.462 3.964 ( 3.738 10.110 3.914) 11.468 4.564 ( -4.756 -0.235 -20.856) 21.393 5.107 ( 5.817 8.508 0.523) 10.320 5.435 ( 0.892 6.350 6.906) 9.424 5.904 ( 5.819 7.758 -16.683) 19.297 6.586 ( -9.164 5.512 -0.491) 10.705 7.100 ( -18.767 -3.791 2.813) 19.351 7.690 ( 3.062 -0.665 8.057) 8.645 7.998 ( -0.589 -3.578 5.126) 6.279 8.435 ( 1.614 3.948 -6.424) 7.711 8.695 ( -1.128 2.839 8.420) 8.957 8.956 ( 5.946 -0.977 2.245) 6.431 9.772 ( 7.521 -4.341 13.900) 16.390 10.212 ( -11.473 -3.770 -17.392) 21.174 10.278 ( -0.360 -2.292 -16.522) 16.684 10.646 ( 8.943 5.256 -5.377) 11.684 11.033 ( 27.220 -3.525 26.869) 38.410 11.890 ( -7.264 -2.087 -3.169) 8.196 12.463 ( -1.802 2.569 0.074) 3.139 12.625 ( 3.534 14.266 -0.784) 14.718 13.687 ( -0.635 -0.148 -10.119) 10.140 14.453 ( -6.760 -4.973 7.857) 11.497 15.177 ( 14.000 6.798 -29.211) 33.098 15.482 ( -3.928 -1.154 1.308) 4.298 17.244 ( 13.394 -20.451 -3.707) 24.727 18.111 ( -9.042 1.561 -2.963) 9.642 18.476 ( 9.547 3.127 -3.944) 10.792 18.760 ( 2.006 -7.301 -10.803) 13.192 20.508 ( 0.263 -0.550 34.361) 34.367 21.762 ( -8.330 -27.777 4.492) 29.345 23.547 ( 2.813 25.964 -7.837) 27.267 24.428 ( -1.748 -0.289 -6.071) 6.324 ======================= Grid point 209 (101/260) ======================= q-point: ( 0.00 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( 8.415 19.872 17.136) 27.556 2.048 ( 9.644 14.667 31.266) 35.856 2.846 ( -6.017 14.508 15.513) 22.076 3.723 ( 6.303 -2.636 13.564) 15.188 4.313 ( 3.029 16.496 6.553) 18.006 4.399 ( -8.922 2.749 0.101) 9.336 5.475 ( 9.749 4.344 0.352) 10.679 5.570 ( 0.050 5.534 0.789) 5.590 6.257 ( 9.067 9.845 -18.863) 23.129 6.619 ( -5.269 15.413 -5.361) 17.148 6.912 ( -2.247 7.860 1.042) 8.241 7.533 ( -10.096 -4.475 13.084) 17.122 8.048 ( 5.771 0.438 -3.006) 6.522 8.313 ( -0.051 -8.777 -3.939) 9.621 8.771 ( -9.092 2.815 12.449) 15.671 9.083 ( 5.831 2.934 1.189) 6.635 9.718 ( -8.895 -3.718 9.976) 13.874 9.833 ( -6.968 -2.224 -13.982) 15.779 10.239 ( 4.809 -8.282 -6.763) 11.724 10.942 ( 10.481 3.374 -7.771) 13.477 11.363 ( 14.149 -6.013 9.605) 18.127 11.849 ( 6.997 -1.337 10.247) 12.480 12.437 ( -5.162 1.836 -3.458) 6.479 13.193 ( 15.899 10.568 -12.752) 22.958 13.709 ( 5.236 1.096 -8.394) 9.954 14.238 ( -3.136 -5.742 9.723) 11.719 15.388 ( -7.269 2.182 -12.152) 14.327 15.430 ( -4.975 4.268 -7.876) 10.247 16.497 ( -37.314 -17.512 -0.968) 41.230 17.816 ( -5.137 -2.460 -11.027) 12.411 18.428 ( 3.484 -4.999 -2.298) 6.512 18.955 ( 2.725 5.507 -8.699) 10.650 20.543 ( -1.609 3.927 29.109) 29.417 21.613 ( 30.542 -20.558 23.821) 43.851 24.048 ( 6.332 11.173 -10.026) 16.293 24.360 ( -4.067 -0.418 -6.898) 8.018 ======================= Grid point 210 (102/260) ======================= q-point: ( 0.10 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( 15.687 19.244 9.758) 26.677 2.159 ( 0.419 18.636 24.410) 30.713 2.873 ( 7.648 7.520 18.693) 21.552 3.854 ( 5.223 -5.933 14.937) 16.900 4.303 ( 0.556 0.025 -0.690) 0.887 4.372 ( 2.171 12.894 8.074) 15.368 5.583 ( 2.055 0.657 -7.216) 7.531 5.632 ( 2.532 -3.376 -0.028) 4.220 6.324 ( -2.550 12.582 -19.236) 23.126 6.603 ( 3.587 15.460 -1.352) 15.928 6.977 ( 7.347 11.201 -2.838) 13.693 7.373 ( -2.741 -1.724 11.418) 11.868 8.127 ( 2.204 1.286 -7.519) 7.941 8.271 ( -5.001 -1.011 2.216) 5.563 8.581 ( -8.156 -8.616 13.391) 17.891 9.182 ( 4.400 8.546 2.000) 9.818 9.398 ( -17.244 -4.769 0.451) 17.897 9.809 ( -0.334 1.493 -0.791) 1.722 10.317 ( 2.047 -9.235 -2.988) 9.920 11.157 ( 9.937 6.452 -5.590) 13.101 11.559 ( 5.287 -5.360 0.892) 7.581 12.134 ( 16.597 -4.214 16.723) 23.935 12.287 ( -8.286 2.857 -7.544) 11.564 13.421 ( 5.034 -1.765 -6.600) 8.487 13.946 ( 13.548 2.709 -20.978) 25.119 14.240 ( 6.629 -1.328 4.606) 8.181 14.860 ( -39.616 -3.344 13.352) 41.939 15.322 ( -9.140 6.230 -9.842) 14.806 15.732 ( -21.673 -1.531 -6.828) 22.774 17.861 ( 3.248 -11.540 -3.663) 12.536 18.461 ( 0.733 -0.639 -5.959) 6.038 18.922 ( -3.777 6.354 -4.631) 8.723 20.466 ( -6.895 7.186 23.743) 25.747 22.352 ( 33.334 -25.381 16.277) 44.948 24.182 ( 6.090 3.516 -11.190) 13.216 24.244 ( -6.300 -0.568 -8.408) 10.522 ======================= Grid point 211 (103/260) ======================= q-point: ( 0.20 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.104 ( 0.972 19.159 18.981) 26.987 2.369 ( 17.534 12.529 7.387) 22.781 3.098 ( 11.542 -0.054 8.594) 14.390 3.934 ( 1.200 -8.884 16.077) 18.408 4.393 ( 5.382 -1.463 -9.181) 10.742 4.445 ( 6.671 7.387 13.361) 16.661 5.567 ( -5.705 -11.241 -9.225) 15.620 5.642 ( 2.053 2.957 -7.372) 8.204 6.239 ( -3.416 16.518 -16.838) 23.833 6.696 ( 6.337 10.432 0.048) 12.206 6.983 ( -6.700 4.478 -0.310) 8.065 7.591 ( 19.012 5.201 6.855) 20.868 8.077 ( -7.048 -9.589 -3.980) 12.549 8.220 ( 2.289 15.310 10.046) 18.454 8.459 ( -4.317 -10.182 8.788) 14.126 9.026 ( -17.951 -4.272 -0.985) 18.479 9.279 ( 4.625 9.183 3.366) 10.819 9.772 ( -3.458 5.936 0.557) 6.893 10.311 ( -2.441 -8.885 -0.849) 9.253 11.322 ( 5.647 10.871 -2.802) 12.567 11.547 ( -9.269 0.826 -2.198) 9.561 12.132 ( -1.154 2.677 -4.135) 5.059 12.503 ( 15.586 -6.028 15.134) 22.545 13.443 ( -2.342 -2.582 2.351) 4.205 13.891 ( -16.454 -5.887 -10.244) 20.257 14.238 ( -10.240 2.069 8.485) 13.458 14.649 ( 23.694 0.746 -14.614) 27.849 14.982 ( -19.009 -6.088 -9.242) 21.996 15.569 ( 0.093 1.381 -0.014) 1.385 17.824 ( -6.886 -8.523 -3.436) 11.483 18.483 ( 1.182 -2.628 -4.384) 5.246 18.823 ( -4.841 4.965 -4.377) 8.200 20.306 ( -8.902 8.352 19.245) 22.790 22.911 ( 19.517 -20.741 11.185) 30.597 24.078 ( -8.232 -0.430 -13.975) 16.225 24.284 ( 3.390 -2.911 -8.243) 9.377 ======================= Grid point 212 (104/260) ======================= q-point: ( 0.30 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.187 ( 6.365 9.375 15.063) 18.849 2.717 ( 14.377 9.204 3.626) 17.451 3.324 ( 9.470 -3.001 -2.728) 10.302 3.902 ( -5.397 -11.067 16.772) 20.806 4.439 ( 0.424 0.303 4.980) 5.007 4.697 ( 15.018 -2.158 -5.575) 16.164 5.416 ( -7.277 -9.026 -11.744) 16.502 5.668 ( 0.568 3.606 -15.815) 16.231 6.197 ( 0.933 12.579 -12.306) 17.622 6.796 ( -9.431 2.119 4.200) 10.539 6.895 ( 11.221 10.377 0.523) 15.293 7.901 ( 5.485 -7.523 3.072) 9.804 7.942 ( -2.496 -0.511 4.131) 4.853 8.206 ( -10.119 1.794 15.438) 18.546 8.527 ( 14.198 6.604 6.624) 17.002 8.713 ( -9.652 1.466 -1.952) 9.956 9.361 ( 2.172 5.944 1.034) 6.413 9.678 ( -4.421 10.285 0.645) 11.214 10.215 ( -6.686 -6.555 0.176) 9.365 11.198 ( -18.161 11.826 -1.868) 21.752 11.404 ( 0.762 12.395 1.734) 12.539 12.240 ( 9.209 -6.549 -1.740) 11.433 12.775 ( 9.125 -6.879 12.731) 17.107 13.327 ( -7.859 -0.449 3.527) 8.626 13.635 ( -5.640 -15.259 -8.100) 18.173 14.124 ( -7.090 4.928 -5.179) 10.068 14.569 ( -13.740 -13.544 4.064) 19.717 15.152 ( 19.589 3.221 -16.192) 25.618 15.642 ( 7.449 2.128 -2.715) 8.209 17.610 ( -12.168 -2.756 -8.193) 14.926 18.441 ( -5.646 -2.407 -1.057) 6.228 18.767 ( 0.052 2.814 -4.672) 5.454 20.139 ( -7.556 5.026 16.960) 19.235 23.201 ( 8.438 -15.643 9.426) 20.118 23.891 ( -8.571 -2.180 -18.261) 20.290 24.325 ( 1.292 -4.438 -6.709) 8.147 ======================= Grid point 213 (105/260) ======================= q-point: ( 0.40 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.360 ( 8.656 0.744 8.915) 12.448 2.937 ( 6.167 6.368 2.237) 9.142 3.465 ( 3.358 -5.194 -12.232) 13.706 3.731 ( -10.749 -10.645 17.555) 23.174 4.428 ( -1.922 -4.818 6.586) 8.384 5.013 ( 14.395 -4.169 -10.700) 18.415 5.269 ( -5.313 1.212 -17.836) 18.649 5.650 ( -1.205 3.044 -18.734) 19.018 6.295 ( 9.206 5.783 -7.870) 13.421 6.586 ( -10.252 0.056 4.837) 11.336 7.130 ( 8.414 7.519 7.872) 13.759 7.822 ( -8.981 -12.754 8.593) 17.809 7.899 ( -10.484 6.747 0.633) 12.483 8.053 ( 5.742 -0.485 6.665) 8.811 8.617 ( -0.572 7.175 3.664) 8.077 8.893 ( 15.726 7.819 14.648) 22.869 9.286 ( -10.091 -0.945 -6.782) 12.195 9.686 ( 6.025 11.573 5.295) 14.081 10.062 ( -6.416 1.264 -3.019) 7.202 10.882 ( -11.216 12.944 3.202) 17.425 11.384 ( -2.898 12.983 1.862) 13.432 12.456 ( 11.224 -11.989 -2.896) 16.676 12.871 ( -0.657 -11.969 6.550) 13.660 13.159 ( -7.935 -4.915 -3.225) 9.876 13.596 ( 1.311 -13.906 -0.626) 13.982 13.851 ( -16.441 3.676 -4.015) 17.319 14.455 ( 0.389 -10.504 5.271) 11.759 15.410 ( 6.093 4.572 -3.124) 8.233 15.921 ( 19.026 6.215 -12.969) 23.850 17.348 ( -11.715 1.488 -13.023) 17.579 18.310 ( -5.288 0.097 -1.767) 5.577 18.765 ( -1.270 3.501 -4.315) 5.700 20.028 ( -3.587 -3.020 18.128) 18.725 23.275 ( -2.194 -12.188 4.943) 13.334 23.733 ( -4.386 -4.241 -18.537) 19.515 24.343 ( 0.870 -4.021 -5.981) 7.260 ======================= Grid point 214 (106/260) ======================= q-point: (-0.50 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.495 ( 1.726 -0.830 3.731) 4.194 3.002 ( 2.157 2.545 0.419) 3.363 3.321 ( -16.593 -14.185 6.202) 22.694 3.606 ( -2.048 -2.390 -6.188) 6.942 4.358 ( -5.208 -5.724 6.123) 9.868 5.101 ( -2.938 0.007 -25.362) 25.532 5.352 ( 11.886 7.869 -6.081) 15.498 5.606 ( -2.093 5.367 -19.480) 20.314 6.385 ( -9.351 -5.228 8.791) 13.859 6.556 ( 15.119 -0.217 -3.440) 15.507 7.153 ( -7.170 3.527 10.712) 13.364 7.545 ( -9.317 -6.630 2.414) 11.687 7.921 ( 5.957 4.179 2.709) 7.764 8.203 ( 7.767 3.642 4.261) 9.578 8.637 ( 1.570 13.639 11.784) 18.093 8.990 ( -16.156 -2.314 -6.125) 17.432 9.152 ( 8.952 -1.379 12.046) 15.072 9.847 ( 5.940 -3.064 8.393) 10.729 10.015 ( 3.123 16.589 -7.421) 18.439 10.732 ( -3.564 12.195 4.638) 13.525 11.286 ( -6.366 12.749 0.282) 14.252 12.668 ( 5.297 -15.277 1.512) 16.240 12.760 ( -7.492 -13.752 -12.099) 19.789 13.064 ( 1.978 -6.694 5.099) 8.644 13.492 ( -15.319 -0.267 -0.415) 15.327 13.684 ( 4.394 -6.874 0.036) 8.158 14.500 ( 2.604 -8.311 2.698) 9.118 15.474 ( 1.241 0.377 1.502) 1.985 16.349 ( 21.601 16.014 -11.728) 29.335 17.131 ( -7.992 4.516 -16.423) 18.814 18.247 ( -0.751 1.235 -2.962) 3.296 18.700 ( -4.013 3.820 -6.297) 8.388 20.015 ( 1.120 -11.220 22.304) 24.992 23.113 ( -12.271 -12.666 -6.904) 18.939 23.712 ( 2.185 -1.693 -10.889) 11.235 24.358 ( 0.899 -3.761 -5.845) 7.009 ======================= Grid point 215 (107/260) ======================= q-point: (-0.40 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.367 ( -13.309 5.877 0.795) 14.570 2.902 ( -22.588 -12.739 15.804) 30.369 3.117 ( 8.126 -2.717 -0.807) 8.606 3.527 ( -5.260 -3.419 -15.805) 17.004 4.232 ( -6.356 -1.187 5.142) 8.261 5.047 ( -0.713 9.942 -28.058) 29.776 5.526 ( -2.608 12.554 -14.783) 19.568 5.583 ( 7.511 6.863 -1.315) 10.258 6.188 ( -10.545 -7.099 11.857) 17.384 6.833 ( 7.086 -3.760 3.050) 8.583 6.984 ( -3.567 -3.618 0.464) 5.102 7.487 ( 3.444 -5.242 5.910) 8.617 8.061 ( 5.858 6.208 4.302) 9.559 8.348 ( 5.682 2.955 -0.247) 6.409 8.590 ( -12.368 2.017 -7.145) 14.426 8.754 ( 0.554 12.063 21.110) 24.320 9.323 ( 7.087 -8.022 2.568) 11.008 9.935 ( 4.069 -3.178 0.956) 5.251 10.103 ( 3.196 11.648 5.843) 13.418 10.729 ( 2.154 12.498 2.665) 12.959 11.134 ( -7.701 12.744 -3.815) 15.371 12.492 ( -12.328 -10.204 -5.474) 16.913 12.705 ( -4.289 -9.438 -0.229) 10.369 13.187 ( -13.310 2.183 -0.848) 13.515 13.315 ( 18.501 -10.796 -1.144) 21.451 13.813 ( 8.894 -5.634 -3.492) 11.092 14.542 ( 0.994 -8.955 4.080) 9.891 15.486 ( 0.058 -3.164 2.311) 3.919 16.742 ( 12.188 21.097 -6.808) 25.298 17.053 ( 5.616 7.581 -16.352) 18.879 18.248 ( 0.203 0.224 -2.175) 2.196 18.640 ( -0.324 0.352 -10.438) 10.449 20.082 ( 3.730 -15.065 27.393) 31.484 22.798 ( -17.125 -14.785 -13.301) 26.245 23.772 ( 3.438 4.095 -8.269) 9.847 24.376 ( 1.213 -3.750 -5.555) 6.811 ======================= Grid point 216 (108/260) ======================= q-point: (-0.30 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.029 ( -16.943 13.061 3.812) 21.730 2.416 ( -24.099 -8.647 21.421) 33.382 3.298 ( 8.001 -1.539 2.322) 8.472 3.390 ( -6.645 -4.824 -15.054) 17.148 4.137 ( -2.165 7.219 2.313) 7.883 5.018 ( -1.785 15.890 -23.514) 28.436 5.422 ( -5.459 14.820 -13.806) 20.977 5.694 ( 0.695 9.892 11.950) 15.528 5.981 ( -7.344 -3.159 3.552) 8.748 6.841 ( -0.665 -3.677 4.868) 6.137 7.045 ( 4.703 -8.443 -6.481) 11.636 7.647 ( 7.732 -6.243 12.210) 15.743 8.079 ( -7.052 4.862 3.094) 9.107 8.380 ( -0.163 -6.817 3.070) 7.478 8.462 ( 4.220 4.710 -11.116) 12.789 8.858 ( 6.162 15.938 17.489) 24.451 9.416 ( 1.577 -9.989 2.626) 10.448 10.035 ( 5.167 -2.842 -0.108) 5.898 10.190 ( 6.288 6.032 5.882) 10.513 10.767 ( 0.666 10.766 7.879) 13.358 10.967 ( -8.435 11.738 -12.937) 19.398 12.238 ( -11.569 -7.153 -6.617) 15.126 12.602 ( -4.582 -3.081 5.075) 7.500 12.952 ( -8.883 4.253 -1.527) 9.967 13.618 ( 7.785 -6.019 -4.550) 10.842 14.152 ( 24.225 -4.080 -11.721) 27.220 14.548 ( 0.398 -10.727 8.052) 13.419 15.485 ( -0.215 -4.625 2.267) 5.155 16.790 ( -1.468 9.461 -8.875) 13.055 17.400 ( 22.380 15.354 -4.295) 27.479 18.257 ( 1.509 -2.794 -1.424) 3.480 18.670 ( 2.583 -3.126 -14.927) 15.468 20.191 ( 5.299 -13.781 31.737) 35.003 22.382 ( -22.489 -15.771 -14.468) 31.045 23.834 ( 2.901 9.636 -8.676) 13.287 24.402 ( 1.457 -3.109 -5.114) 6.160 ======================= Grid point 217 (109/260) ======================= q-point: (-0.20 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( -8.220 18.825 16.314) 26.231 1.967 ( -18.558 0.401 25.321) 31.396 3.226 ( -8.436 -1.691 -4.863) 9.882 3.449 ( 6.211 0.295 6.071) 8.690 4.151 ( 2.913 14.019 -1.401) 14.387 4.901 ( -9.265 16.266 -9.165) 20.843 5.317 ( -3.162 13.792 -5.868) 15.318 5.627 ( -4.329 8.294 6.392) 11.330 5.962 ( 3.953 6.148 -7.513) 10.482 6.814 ( -2.735 1.369 1.221) 3.293 7.141 ( 2.287 -10.890 -2.588) 11.424 7.677 ( -3.669 2.559 6.378) 7.790 7.944 ( -2.614 -4.684 10.260) 11.578 8.408 ( -1.705 -4.147 -0.438) 4.505 8.622 ( 12.480 -4.322 -10.476) 16.858 8.961 ( 1.241 17.087 14.456) 22.416 9.473 ( 6.077 -9.490 9.188) 14.540 10.127 ( 2.932 -4.304 -4.521) 6.896 10.342 ( 5.152 0.668 -3.105) 6.052 10.749 ( -8.596 8.907 -9.467) 15.583 10.814 ( 3.711 8.723 7.916) 12.350 12.008 ( -9.983 -5.039 -4.214) 11.951 12.543 ( -1.581 1.646 4.646) 5.177 12.837 ( -1.423 8.454 -2.467) 8.921 13.687 ( 0.699 -1.943 -6.777) 7.085 14.400 ( -2.238 -8.352 5.179) 10.079 14.866 ( 29.031 0.258 -15.582) 32.949 15.477 ( -0.764 -3.848 1.508) 4.203 16.768 ( 0.304 -3.490 -1.939) 4.004 17.878 ( 22.232 5.813 4.857) 23.487 18.326 ( 4.676 -3.593 -2.385) 6.361 18.678 ( -1.309 -4.249 -20.893) 21.361 20.337 ( 6.961 -8.000 33.786) 35.411 21.846 ( -27.529 -14.289 -8.109) 32.059 23.886 ( 2.676 13.608 -9.320) 16.709 24.425 ( 0.716 -1.818 -5.026) 5.393 ======================= Grid point 218 (110/260) ======================= q-point: (-0.10 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( -5.703 15.794 23.170) 28.615 1.832 ( 5.793 14.767 31.376) 35.158 3.028 ( -10.215 7.576 5.016) 13.671 3.583 ( 6.395 -0.309 11.409) 13.083 4.230 ( 4.272 16.027 -0.063) 16.587 4.647 ( -13.550 10.353 0.839) 17.073 5.318 ( 3.932 12.153 0.133) 12.774 5.580 ( -0.923 7.827 0.545) 7.900 6.081 ( 7.711 9.457 -14.956) 19.302 6.734 ( -4.664 8.592 -4.698) 10.847 7.044 ( -9.004 -1.678 4.084) 10.028 7.670 ( -1.027 -0.752 9.224) 9.311 7.934 ( 2.378 -3.797 3.638) 5.772 8.340 ( -2.934 -8.529 -4.924) 10.276 8.865 ( 5.924 -3.325 -1.182) 6.895 8.945 ( 1.010 12.471 10.578) 16.384 9.658 ( 8.430 -6.893 13.681) 17.486 10.123 ( -6.470 -4.580 -11.855) 14.261 10.222 ( -9.151 -2.802 -15.529) 18.241 10.746 ( 7.980 3.774 -8.608) 12.330 11.023 ( 14.718 2.719 18.600) 23.875 11.842 ( -5.039 -2.153 0.709) 5.526 12.511 ( -2.225 1.897 1.074) 3.115 12.915 ( 9.350 13.633 -6.363) 17.714 13.679 ( -0.317 -0.711 -7.031) 7.074 14.318 ( -4.664 -8.239 9.930) 13.721 15.356 ( 14.851 10.532 -26.913) 32.493 15.454 ( -1.158 -1.478 -0.805) 2.042 16.803 ( 0.970 -21.867 5.270) 22.514 18.148 ( -9.383 1.905 -4.887) 10.749 18.329 ( 1.645 -15.871 -3.142) 16.262 18.760 ( 13.429 5.645 -16.350) 21.898 20.493 ( 5.155 -0.925 32.788) 33.204 21.372 ( -11.189 -11.974 11.857) 20.228 23.946 ( 3.906 14.864 -9.600) 18.120 24.418 ( -1.286 -0.789 -5.579) 5.780 ======================= Grid point 219 (111/260) ======================= q-point: ( 0.00 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.042 ( 7.923 17.061 9.894) 21.255 2.317 ( 8.531 12.274 24.113) 28.370 2.979 ( -1.475 0.093 -0.569) 1.584 3.680 ( 4.477 -2.399 15.818) 16.614 4.519 ( -7.414 11.019 3.048) 13.626 4.705 ( -5.141 18.174 15.733) 24.582 5.521 ( -2.057 2.522 -1.084) 3.431 5.706 ( -2.318 7.089 5.178) 9.079 6.414 ( 10.011 5.434 -21.139) 24.013 6.907 ( 0.461 10.181 -6.449) 12.061 7.111 ( 5.891 13.618 1.354) 14.899 7.451 ( -9.863 -3.913 8.472) 13.578 7.967 ( 3.491 -8.432 -2.397) 9.436 8.222 ( 5.674 0.694 -2.168) 6.114 8.763 ( -15.593 -2.345 0.010) 15.768 9.029 ( 4.531 -9.226 12.194) 15.948 9.671 ( -3.048 -1.171 9.874) 10.400 9.956 ( -6.489 14.996 -18.703) 24.836 10.068 ( 4.210 -8.763 0.915) 9.764 10.907 ( 9.513 -7.134 -10.428) 15.815 11.314 ( 10.631 -0.094 6.869) 12.657 11.882 ( 6.990 4.172 14.823) 16.911 12.455 ( -4.458 0.030 -1.700) 4.772 13.323 ( 6.283 3.310 -11.055) 13.140 13.736 ( 9.368 1.804 -8.213) 12.588 14.109 ( -1.345 -6.827 11.606) 13.532 15.413 ( -13.533 0.651 2.105) 13.711 15.528 ( -9.833 5.267 -11.258) 15.849 16.187 ( -14.841 -13.456 -6.932) 21.199 17.762 ( -10.627 -2.916 -19.580) 22.468 18.356 ( 8.620 -2.328 -1.193) 9.008 19.035 ( 3.498 2.715 -11.677) 12.489 20.629 ( 2.173 4.412 27.893) 28.323 21.327 ( 20.373 -9.722 24.445) 33.274 24.194 ( 1.320 4.695 -6.861) 8.417 24.350 ( -3.579 -0.606 -6.577) 7.512 ======================= Grid point 220 (112/260) ======================= q-point: ( 0.10 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.274 ( 12.966 13.998 6.302) 20.094 2.468 ( 3.802 12.375 20.246) 24.031 2.983 ( 2.613 2.694 2.986) 4.796 3.758 ( 2.000 -3.866 15.171) 15.783 4.355 ( -4.988 6.780 7.369) 11.187 4.662 ( -2.106 13.154 9.266) 16.227 5.455 ( -4.910 -7.975 -2.371) 9.660 5.678 ( -0.056 3.424 0.055) 3.425 6.578 ( 6.196 12.654 -22.597) 26.630 6.879 ( -2.534 11.143 -2.482) 11.693 7.239 ( -1.524 11.094 -5.277) 12.379 7.370 ( 9.423 5.093 13.617) 17.325 8.000 ( -0.220 -9.003 -4.283) 9.972 8.346 ( 1.069 -2.632 2.035) 3.495 8.406 ( -10.534 -1.733 7.049) 12.793 9.076 ( -3.690 -12.212 5.827) 14.025 9.532 ( -5.958 8.604 1.323) 10.549 9.908 ( 0.419 8.809 -10.539) 13.743 10.172 ( 3.956 -2.806 4.949) 6.930 11.133 ( 12.152 -9.637 -8.432) 17.653 11.504 ( 6.472 -0.396 1.989) 6.783 12.125 ( 14.337 3.620 21.131) 25.791 12.343 ( -5.927 1.980 -4.745) 7.847 13.367 ( -0.181 -3.486 -6.103) 7.031 13.975 ( 6.053 0.592 -9.295) 11.108 14.189 ( 14.537 -3.050 -1.705) 14.951 14.740 ( -38.567 -6.769 11.502) 40.811 15.494 ( -7.071 9.076 -6.824) 13.377 15.704 ( -21.931 -1.422 -12.641) 25.353 17.665 ( -0.110 -8.017 -9.793) 12.656 18.451 ( 1.249 -0.381 -5.575) 5.725 19.015 ( -3.867 3.190 -7.472) 8.998 20.615 ( -4.651 7.417 23.526) 25.102 21.939 ( 31.951 -16.601 19.932) 41.155 24.213 ( 0.711 0.235 -5.050) 5.105 24.241 ( -6.245 0.196 -10.386) 12.121 ======================= Grid point 221 (113/260) ======================= q-point: ( 0.20 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.455 ( -0.565 15.424 13.734) 20.660 2.596 ( 12.718 10.507 6.500) 17.731 3.100 ( 7.888 0.024 2.470) 8.265 3.765 ( -2.504 -7.668 14.422) 16.524 4.360 ( 4.754 -0.281 -0.168) 4.765 4.606 ( -3.693 5.686 9.703) 11.837 5.323 ( -5.908 -11.057 -4.295) 13.252 5.712 ( 2.797 3.273 -9.741) 10.650 6.589 ( -4.698 18.332 -16.285) 24.967 6.876 ( 3.284 7.022 1.156) 7.838 7.147 ( -4.868 10.602 -6.909) 13.559 7.625 ( 8.122 -3.291 5.946) 10.591 7.960 ( -1.817 -1.193 5.761) 6.157 8.219 ( -1.271 -10.318 5.741) 11.875 8.489 ( 6.794 9.311 9.074) 14.669 8.891 ( -11.293 -7.847 -2.169) 13.922 9.480 ( -0.784 8.012 2.330) 8.381 9.895 ( -1.904 3.814 -4.138) 5.941 10.230 ( 1.712 5.183 2.684) 6.083 11.369 ( 9.468 -9.748 -5.755) 14.757 11.568 ( -0.406 4.102 -1.141) 4.277 12.193 ( -6.292 3.303 -6.246) 9.461 12.454 ( 13.208 0.957 25.384) 28.631 13.345 ( -1.400 -6.845 -2.542) 7.434 13.797 ( -25.472 -2.746 -3.793) 25.899 14.187 ( -6.248 -6.871 12.787) 15.804 14.659 ( 26.610 0.133 -18.136) 32.202 14.945 ( -30.270 1.894 -9.177) 31.688 15.634 ( 2.455 4.826 -3.250) 6.315 17.645 ( -2.768 -9.000 -7.255) 11.886 18.443 ( -1.031 -1.454 -5.371) 5.659 18.902 ( -5.808 2.974 -5.038) 8.243 20.472 ( -9.747 7.990 19.933) 23.584 22.533 ( 22.923 -16.598 14.258) 31.690 24.068 ( -9.468 -0.574 -13.650) 16.622 24.232 ( 1.096 -2.230 -5.010) 5.592 ======================= Grid point 222 (114/260) ======================= q-point: ( 0.30 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.430 ( -0.962 14.474 13.649) 19.918 2.860 ( 10.932 5.376 2.684) 12.474 3.281 ( 8.526 -1.425 -4.576) 9.781 3.659 ( -8.218 -12.807 15.783) 21.924 4.441 ( -2.250 -0.234 -3.067) 3.811 4.602 ( 7.742 -7.763 6.178) 12.584 5.262 ( 0.770 -4.788 -9.785) 10.921 5.737 ( -0.672 2.820 -17.658) 17.894 6.458 ( -5.092 13.348 -10.528) 17.746 6.888 ( -5.527 5.666 7.543) 10.934 7.112 ( 3.934 9.880 -6.898) 12.676 7.675 ( -1.714 -11.266 1.922) 11.557 7.948 ( 1.504 -1.005 12.764) 12.891 8.229 ( -3.909 3.136 -2.417) 5.564 8.586 ( 0.414 -2.856 6.233) 6.869 8.836 ( 10.719 10.288 8.722) 17.228 9.432 ( -5.028 1.406 -0.344) 5.232 9.822 ( -4.751 -0.249 3.972) 6.198 10.266 ( 2.270 15.763 -3.024) 16.210 11.374 ( -9.749 2.532 -1.080) 10.131 11.580 ( 2.832 6.301 -3.198) 7.612 12.120 ( 0.657 -4.084 -1.269) 4.327 12.654 ( 3.356 -5.350 22.845) 23.702 13.295 ( -15.457 -3.516 0.318) 15.855 13.323 ( -3.248 -13.837 -4.831) 15.011 14.191 ( 1.822 -2.265 5.565) 6.278 14.364 ( -23.365 -3.181 -1.520) 23.630 15.220 ( 25.125 3.465 -18.538) 31.416 15.701 ( 5.721 3.535 -7.104) 9.782 17.529 ( -7.488 -5.177 -9.422) 13.101 18.404 ( -2.814 -1.180 -3.789) 4.865 18.814 ( -1.657 1.842 -3.274) 4.106 20.243 ( -12.901 5.128 18.414) 23.061 22.902 ( 12.310 -13.612 11.807) 21.823 23.837 ( -11.421 -3.023 -17.919) 21.463 24.256 ( 1.405 -2.520 -4.795) 5.596 ======================= Grid point 223 (115/260) ======================= q-point: ( 0.40 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.447 ( 1.928 8.002 10.945) 13.694 3.020 ( 3.940 1.803 1.781) 4.685 3.326 ( -9.085 -10.181 -2.741) 13.918 3.538 ( 0.734 -6.982 7.634) 10.371 4.351 ( -4.314 -2.397 2.784) 5.667 4.829 ( 11.390 -11.657 -6.847) 17.677 5.337 ( 6.687 3.895 -14.398) 16.346 5.663 ( -4.579 -1.598 -18.566) 19.189 6.420 ( 2.323 7.595 -5.466) 9.642 6.704 ( -10.822 9.390 2.284) 14.509 7.221 ( 3.909 0.411 6.552) 7.641 7.580 ( -7.331 -11.035 4.235) 13.908 8.025 ( -5.802 6.768 -5.230) 10.335 8.111 ( 8.053 6.031 7.372) 12.473 8.661 ( 5.639 -1.834 0.621) 5.962 9.100 ( 8.810 10.795 20.679) 24.935 9.254 ( -11.184 -1.020 -5.400) 12.461 9.733 ( -2.738 -4.811 9.740) 11.204 10.333 ( 4.111 22.912 -6.548) 24.181 11.137 ( -10.462 11.524 2.920) 15.836 11.591 ( -1.927 7.813 -0.490) 8.062 12.209 ( 7.080 -12.079 0.207) 14.003 12.602 ( -7.180 -14.967 9.199) 18.978 13.036 ( -8.719 -7.544 -2.497) 11.797 13.344 ( 2.757 -9.880 5.789) 11.778 13.924 ( -16.933 2.724 -1.388) 17.207 14.274 ( 3.402 -7.309 4.895) 9.431 15.497 ( 2.264 4.232 -3.214) 5.776 16.043 ( 27.473 5.663 -22.255) 35.806 17.356 ( -7.879 -0.744 -12.484) 14.782 18.336 ( -2.787 2.438 -3.330) 4.980 18.812 ( 0.285 1.139 -2.874) 3.104 19.976 ( -12.952 -2.106 20.020) 23.937 23.052 ( 0.221 -9.938 8.100) 12.822 23.627 ( -5.547 -5.886 -18.212) 19.927 24.282 ( 1.219 -2.167 -5.602) 6.129 ======================= Grid point 224 (116/260) ======================= q-point: (-0.50 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.506 ( 2.418 2.199 7.696) 8.361 3.025 ( -17.182 -14.556 8.680) 24.134 3.041 ( -0.731 0.681 0.960) 1.386 3.556 ( -2.004 -2.833 -8.235) 8.936 4.280 ( -2.649 -1.183 3.467) 4.520 5.027 ( 8.259 -6.152 -19.121) 21.718 5.509 ( 9.346 5.058 -12.466) 16.380 5.588 ( -0.050 -4.982 -10.745) 11.844 6.421 ( -9.281 8.580 -0.358) 12.645 6.598 ( 7.592 3.828 0.399) 8.512 7.173 ( -10.535 -1.510 8.067) 13.354 7.412 ( -6.049 -6.521 0.935) 8.943 7.998 ( 5.046 2.905 2.177) 6.216 8.338 ( 9.431 9.972 2.355) 13.925 8.800 ( 7.226 1.376 1.752) 7.561 8.941 ( -14.557 -2.053 -2.514) 14.915 9.196 ( -1.951 6.028 16.659) 17.823 9.769 ( 5.249 -3.483 8.183) 10.327 10.386 ( -0.047 18.672 -0.395) 18.676 10.999 ( -2.521 14.111 1.789) 14.446 11.506 ( -5.802 9.533 -1.021) 11.206 12.377 ( 5.688 -13.409 8.080) 16.656 12.472 ( -2.460 -15.037 -10.174) 18.322 12.894 ( -3.858 -10.369 5.528) 12.368 13.394 ( -0.683 -6.159 6.110) 8.703 13.660 ( -6.165 1.873 -1.877) 6.711 14.340 ( 2.348 -7.797 3.829) 8.998 15.478 ( -2.218 0.314 -2.285) 3.201 16.653 ( 30.393 13.842 -20.419) 39.144 17.206 ( -5.589 2.806 -14.763) 16.033 18.299 ( -0.733 4.173 -3.293) 5.366 18.771 ( -4.642 3.098 -5.576) 7.889 19.770 ( -6.784 -12.887 25.237) 29.137 22.893 ( -13.636 -9.178 -3.920) 16.898 23.646 ( 6.623 -4.288 -8.819) 11.833 24.299 ( 0.755 -2.160 -6.494) 6.885 ======================= Grid point 225 (117/260) ======================= q-point: (-0.40 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.487 ( -6.012 5.762 3.926) 9.206 2.663 ( -17.395 -9.985 14.205) 24.578 3.071 ( 4.947 -2.522 1.847) 5.852 3.432 ( -8.415 -6.000 -13.583) 17.068 4.255 ( 0.571 4.114 2.108) 4.658 5.170 ( 6.845 2.891 -25.285) 26.354 5.592 ( 2.558 -7.865 -7.002) 10.837 5.741 ( 9.835 7.483 -1.977) 12.516 6.198 ( -10.778 10.698 0.724) 15.203 6.797 ( 6.828 0.592 4.027) 7.949 6.899 ( -11.200 -4.695 -0.657) 12.162 7.365 ( 1.647 -8.172 4.103) 9.291 8.166 ( 9.121 3.640 8.069) 12.710 8.433 ( -1.392 7.006 -0.879) 7.197 8.600 ( -13.164 0.716 -5.099) 14.135 9.026 ( 9.279 11.500 12.460) 19.329 9.147 ( -1.058 -8.597 3.815) 9.465 9.899 ( 5.836 -0.310 6.992) 9.113 10.336 ( -3.377 10.472 5.391) 12.253 10.997 ( 0.647 13.871 -0.049) 13.886 11.366 ( -7.396 10.821 -5.041) 14.043 12.300 ( -7.684 -8.754 -6.084) 13.141 12.525 ( 1.182 -8.092 4.582) 9.374 12.956 ( 6.014 -17.368 4.243) 18.863 13.337 ( 1.930 5.070 0.894) 5.498 13.707 ( 8.573 -4.533 -0.957) 9.745 14.365 ( -0.216 -8.907 5.229) 10.331 15.432 ( -1.771 -2.005 -2.782) 3.860 17.093 ( -1.932 10.006 -15.767) 18.773 17.259 ( 24.930 16.355 -14.958) 33.358 18.271 ( -2.797 2.605 -1.751) 4.204 18.640 ( -5.569 -0.754 -10.199) 11.645 19.742 ( 2.596 -18.446 30.316) 35.582 22.556 ( -17.727 -9.500 -8.636) 21.888 23.816 ( 8.862 0.689 -5.654) 10.534 24.312 ( 1.003 -2.600 -6.666) 7.225 ======================= Grid point 226 (118/260) ======================= q-point: (-0.30 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.282 ( -11.774 10.983 8.218) 18.077 2.343 ( -13.945 2.491 15.447) 20.959 3.227 ( 7.041 -7.046 -1.150) 10.027 3.246 ( -6.205 -7.901 -7.480) 12.525 4.317 ( 5.211 10.891 -1.085) 12.123 5.275 ( 3.318 10.048 -16.616) 19.700 5.623 ( 0.417 -1.335 -10.476) 10.569 5.846 ( -4.602 7.659 10.325) 13.655 6.053 ( 1.599 14.043 -2.330) 14.324 6.692 ( -4.183 -10.578 2.285) 11.602 6.937 ( 4.040 -2.584 -3.940) 6.207 7.491 ( 8.675 -11.048 8.279) 16.305 8.196 ( -14.274 7.321 -0.717) 16.058 8.332 ( 2.869 3.254 6.470) 7.790 8.514 ( 1.617 0.558 -5.678) 5.930 9.103 ( 2.591 -3.202 9.398) 10.261 9.243 ( 5.210 4.065 6.177) 9.045 10.004 ( 3.856 -1.213 4.841) 6.307 10.310 ( 1.315 5.693 1.263) 5.978 10.991 ( -1.089 11.040 3.956) 11.778 11.175 ( -11.170 9.340 -11.813) 18.749 12.110 ( -9.604 -5.665 -5.061) 12.245 12.550 ( 1.513 -1.409 7.656) 7.931 12.951 ( -2.909 -5.316 -1.859) 6.339 13.541 ( 9.628 -1.002 0.441) 9.690 14.053 ( 26.082 -5.242 -6.703) 27.435 14.345 ( -0.590 -9.412 9.899) 13.672 15.407 ( -0.396 -2.999 -2.915) 4.201 17.018 ( -4.712 12.412 -13.424) 18.880 17.674 ( 12.322 12.332 -4.951) 18.122 18.217 ( 1.119 -0.785 -2.675) 3.004 18.581 ( 0.145 -6.358 -16.620) 17.795 19.897 ( 10.315 -14.804 32.905) 37.527 22.150 ( -21.154 -8.041 -7.466) 23.830 23.981 ( 6.966 5.553 -6.225) 10.868 24.340 ( 2.016 -3.081 -5.858) 6.919 ======================= Grid point 227 (119/260) ======================= q-point: (-0.20 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.076 ( -9.051 12.414 15.507) 21.829 2.128 ( -5.138 15.460 16.463) 23.162 3.105 ( -4.791 -9.207 -9.188) 13.862 3.407 ( 7.713 -4.703 9.442) 13.067 4.442 ( 6.006 14.773 -4.508) 16.572 5.219 ( -9.577 13.772 9.951) 19.504 5.594 ( -2.473 12.080 -12.822) 17.789 5.750 ( -0.097 6.797 -3.550) 7.669 6.134 ( 3.115 10.751 0.791) 11.221 6.719 ( 5.758 -11.524 3.737) 13.414 7.011 ( 2.984 -2.155 -6.622) 7.576 7.666 ( 7.309 -9.508 8.070) 14.455 7.897 ( -12.974 6.020 -0.112) 14.303 8.351 ( -3.113 0.268 4.244) 5.270 8.550 ( 4.318 -4.216 -9.360) 11.136 9.248 ( 5.742 -11.312 7.761) 14.871 9.302 ( 4.648 15.359 15.001) 21.966 10.050 ( 0.024 -4.426 -0.472) 4.452 10.361 ( 1.525 1.725 -4.912) 5.425 10.891 ( -12.691 4.972 -21.503) 25.459 10.998 ( 1.645 9.555 12.873) 16.116 11.924 ( -7.496 -3.379 0.257) 8.227 12.570 ( -0.650 1.223 4.879) 5.072 12.959 ( 4.840 3.581 -4.642) 7.602 13.648 ( 1.937 -1.699 -2.091) 3.318 14.230 ( -3.562 -8.224 7.309) 11.565 14.838 ( 38.906 -2.650 -8.118) 39.832 15.410 ( 0.715 -2.689 -2.687) 3.868 16.828 ( -13.857 9.400 -4.307) 17.290 17.821 ( 6.699 -11.549 1.846) 13.479 18.290 ( 0.317 0.325 -6.436) 6.452 18.643 ( 8.362 0.386 -21.931) 23.474 20.180 ( 14.311 -7.164 32.918) 36.602 21.669 ( -24.089 -4.776 -0.269) 24.559 24.095 ( 4.348 8.181 -7.239) 11.757 24.381 ( 1.837 -2.653 -4.965) 5.921 ======================= Grid point 228 (120/260) ======================= q-point: (-0.10 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.964 ( -1.360 16.841 12.832) 21.216 2.148 ( 5.105 15.807 23.822) 29.041 3.025 ( -2.811 -5.372 -4.373) 7.476 3.559 ( 6.295 -2.863 14.066) 15.674 4.537 ( 3.175 14.388 -5.207) 15.627 4.944 ( -15.398 16.294 20.297) 30.242 5.552 ( -1.081 12.073 -4.786) 13.032 5.756 ( -1.548 10.895 1.347) 11.087 6.225 ( 7.503 3.510 -12.483) 14.981 6.855 ( 5.300 1.342 -2.969) 6.221 7.044 ( 1.204 2.912 -0.472) 3.186 7.661 ( -10.029 -3.113 4.332) 11.359 7.835 ( 8.226 -3.108 1.808) 8.977 8.222 ( -5.721 -2.283 -1.768) 6.409 8.732 ( 11.101 -7.962 -4.937) 14.526 9.156 ( -10.129 4.298 12.128) 16.376 9.557 ( 11.604 -0.647 15.901) 19.696 10.017 ( -1.743 -7.067 -3.626) 8.132 10.233 ( -13.014 5.302 -17.348) 22.326 10.769 ( 3.058 -1.788 -13.545) 14.001 11.106 ( 7.871 4.698 11.459) 14.674 11.824 ( -1.643 0.460 6.598) 6.815 12.531 ( -2.916 0.223 1.834) 3.452 13.129 ( 10.664 8.021 -9.104) 16.154 13.660 ( 0.429 -1.119 -3.365) 3.572 14.156 ( -3.478 -7.605 10.945) 13.774 15.430 ( 1.405 -0.894 -2.824) 3.278 15.539 ( 22.304 6.637 -20.285) 30.871 16.473 ( -17.829 -10.341 7.274) 21.856 17.984 ( 1.798 -16.771 -15.374) 22.822 18.191 ( -1.905 1.465 -0.688) 2.500 18.869 ( 11.882 4.653 -16.790) 21.089 20.476 ( 11.135 -0.649 30.926) 32.876 21.243 ( -12.912 -2.721 14.434) 19.557 24.160 ( 2.445 7.823 -7.437) 11.067 24.395 ( -0.490 -1.601 -5.079) 5.348 ======================= Grid point 229 (121/260) ======================= q-point: ( 0.00 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.316 ( 6.412 10.366 7.280) 14.197 2.464 ( 6.288 1.156 11.200) 12.896 2.949 ( 1.665 -1.011 1.925) 2.739 3.628 ( 4.850 -2.159 17.623) 18.405 4.747 ( -5.241 10.333 0.564) 11.599 4.898 ( -9.205 0.406 17.368) 19.660 5.625 ( -13.021 6.244 4.979) 15.275 5.813 ( -6.928 3.168 6.539) 10.040 6.471 ( 16.731 1.053 -23.078) 28.525 6.975 ( 4.724 -0.855 0.250) 4.808 7.359 ( 1.221 3.024 3.389) 4.704 7.402 ( 4.684 4.118 -6.930) 9.323 7.843 ( -0.208 -2.902 1.195) 3.146 8.270 ( 4.992 2.682 -4.399) 7.174 8.723 ( -19.655 -1.051 -2.002) 19.785 8.814 ( 4.106 -9.115 11.039) 14.893 9.679 ( -3.806 1.358 1.401) 4.277 9.921 ( 5.598 -5.168 11.457) 13.759 10.319 ( -0.551 19.835 -13.986) 24.276 10.677 ( 4.830 -15.768 -11.940) 20.360 11.326 ( 8.808 0.640 4.841) 10.072 11.964 ( 9.008 2.897 17.206) 19.636 12.446 ( -4.162 -0.531 -0.534) 4.230 13.351 ( 0.695 0.305 -9.350) 9.381 13.773 ( 12.477 1.465 -7.921) 14.852 14.001 ( -1.502 -3.420 11.713) 12.294 15.420 ( -17.747 0.150 7.483) 19.260 15.614 ( -17.060 2.881 -7.238) 18.754 15.993 ( -0.415 -5.646 -12.249) 13.494 17.715 ( -8.743 -1.446 -26.340) 27.790 18.330 ( 10.021 -0.499 -0.092) 10.034 19.067 ( 3.203 0.693 -13.044) 13.450 20.698 ( 5.437 2.111 26.330) 26.969 21.205 ( 13.396 -3.030 25.116) 28.626 24.253 ( -1.869 1.545 -4.928) 5.492 24.337 ( -2.414 -0.515 -6.708) 7.147 ======================= Grid point 230 (122/260) ======================= q-point: ( 0.10 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.496 ( 9.562 8.060 5.444) 13.639 2.615 ( 7.026 1.972 11.093) 13.278 2.995 ( 3.026 -0.238 1.336) 3.316 3.699 ( 0.849 -1.852 15.654) 15.786 4.540 ( -11.202 9.917 16.368) 22.175 4.774 ( -6.065 -2.286 1.072) 6.570 5.364 ( -11.399 -0.908 1.477) 11.530 5.727 ( -0.969 1.357 -0.673) 1.798 6.791 ( 14.236 7.509 -20.309) 25.913 7.043 ( -0.064 6.795 -1.181) 6.897 7.220 ( -3.496 -6.689 0.780) 7.587 7.629 ( 5.386 9.953 -5.093) 12.410 7.903 ( 5.240 2.781 10.337) 11.918 8.145 ( -15.424 -11.325 4.009) 19.551 8.492 ( 2.899 3.554 -5.893) 7.467 8.855 ( -3.218 -7.931 8.102) 11.786 9.624 ( -1.360 2.095 -3.334) 4.166 9.941 ( -2.748 -2.599 5.441) 6.627 10.404 ( 7.187 21.469 -5.050) 23.196 10.829 ( 9.791 -19.863 -6.936) 23.206 11.510 ( 7.767 0.383 2.416) 8.143 12.217 ( 13.074 3.826 22.290) 26.123 12.358 ( -3.961 -0.227 -3.295) 5.157 13.306 ( -3.402 -2.029 -6.577) 7.678 13.976 ( 1.022 -0.215 7.980) 8.048 14.147 ( 20.798 -1.035 -15.937) 26.222 14.642 ( -41.405 -2.721 9.377) 42.541 15.628 ( -0.961 4.057 -5.595) 6.977 15.678 ( -22.052 -1.154 -11.763) 25.020 17.558 ( -3.758 -2.759 -14.659) 15.382 18.446 ( 1.232 -0.127 -5.349) 5.491 19.053 ( -3.560 0.828 -9.110) 9.816 20.728 ( -3.463 3.436 22.912) 23.425 21.713 ( 29.539 -6.079 21.663) 37.132 24.212 ( -1.454 -0.069 -3.576) 3.861 24.243 ( -6.301 -0.011 -10.103) 11.907 ======================= Grid point 231 (123/260) ======================= q-point: ( 0.20 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.665 ( 4.780 5.585 5.867) 9.406 2.766 ( 7.595 5.532 8.159) 12.444 3.093 ( 6.666 -0.487 -0.053) 6.684 3.654 ( -6.538 -3.182 13.997) 15.773 4.391 ( -2.839 2.789 12.100) 12.737 4.616 ( -8.671 -3.269 0.129) 9.268 5.198 ( -3.463 -2.009 -3.707) 5.456 5.757 ( 2.979 1.207 -10.329) 10.818 6.902 ( -9.851 10.259 -7.479) 16.069 6.980 ( 2.472 5.079 -6.251) 8.425 7.271 ( 3.351 -1.526 -5.993) 7.034 7.580 ( -4.963 4.030 0.456) 6.409 7.837 ( -2.995 -11.151 8.403) 14.280 8.210 ( 10.229 6.829 13.216) 18.053 8.547 ( 0.071 -3.561 -1.817) 3.999 8.791 ( 1.220 -1.002 2.412) 2.883 9.576 ( -3.963 2.426 -3.704) 5.942 9.865 ( -4.615 -2.986 8.171) 9.848 10.554 ( 7.246 22.244 -6.792) 24.360 11.047 ( 10.494 -20.423 -2.415) 23.088 11.627 ( 3.382 1.339 -0.470) 3.667 12.253 ( -5.246 2.162 -6.056) 8.299 12.493 ( 9.469 1.678 29.263) 30.802 13.224 ( -4.128 -4.039 -6.307) 8.551 13.789 ( -33.332 1.107 2.197) 33.423 14.041 ( -0.400 -5.761 10.409) 11.903 14.659 ( 28.306 -0.007 -20.657) 35.042 14.993 ( -32.651 1.719 -7.226) 33.485 15.723 ( 2.952 3.082 -3.314) 5.403 17.507 ( -1.902 -4.155 -9.457) 10.504 18.425 ( -1.801 -0.409 -6.564) 6.818 18.939 ( -5.972 0.923 -5.490) 8.165 20.590 ( -10.580 3.418 20.458) 23.285 22.301 ( 24.035 -6.386 15.907) 29.521 24.057 ( -10.769 -0.374 -13.707) 17.435 24.203 ( 0.539 -0.742 -3.497) 3.615 ======================= Grid point 232 (124/260) ======================= q-point: ( 0.30 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.700 ( -0.902 10.904 7.941) 13.519 2.915 ( 5.238 -0.166 5.631) 7.692 3.265 ( 9.041 -0.149 -3.458) 9.681 3.444 ( -13.071 -7.441 12.670) 19.666 4.431 ( 2.162 -1.184 -0.788) 2.588 4.456 ( -2.402 -4.259 5.926) 7.683 5.224 ( 5.662 -0.275 -9.453) 11.023 5.771 ( -2.544 0.769 -19.349) 19.531 6.671 ( -10.061 6.836 -9.990) 15.740 6.981 ( 0.783 3.036 11.382) 11.806 7.224 ( -7.954 1.781 -4.858) 9.489 7.503 ( -3.451 -5.315 2.491) 6.809 7.946 ( 12.285 0.858 2.636) 12.594 8.330 ( -3.105 6.439 -2.074) 7.443 8.480 ( -0.005 -6.807 5.242) 8.592 8.999 ( 14.867 4.845 12.009) 19.716 9.444 ( -8.236 0.280 -5.671) 10.004 9.753 ( -6.920 -3.382 13.433) 15.484 10.693 ( 6.160 22.394 -8.946) 24.889 11.221 ( 5.319 -15.251 0.155) 16.153 11.669 ( 1.416 2.208 -3.854) 4.662 12.123 ( -6.216 2.896 -2.133) 7.182 12.561 ( -6.762 -3.776 30.151) 31.130 13.095 ( -9.676 -6.285 -10.257) 15.438 13.268 ( -10.464 -0.894 6.581) 12.394 14.082 ( 1.436 -4.230 8.047) 9.204 14.399 ( -22.703 2.236 -2.587) 22.959 15.273 ( 29.526 1.563 -21.148) 36.352 15.761 ( 2.639 1.974 -7.753) 8.424 17.439 ( -4.226 -2.951 -9.324) 10.654 18.393 ( -0.787 -0.138 -6.681) 6.729 18.838 ( -2.970 0.583 -2.356) 3.836 20.319 ( -16.231 2.212 19.691) 25.614 22.709 ( 14.674 -5.372 13.257) 20.492 23.789 ( -13.612 -1.476 -17.331) 22.087 24.226 ( 1.621 -0.696 -4.376) 4.718 ======================= Grid point 233 (125/260) ======================= q-point: ( 0.40 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.657 ( -3.357 12.498 9.539) 16.077 2.947 ( -4.134 -10.652 9.706) 14.992 3.159 ( -10.146 -3.200 1.807) 10.791 3.460 ( 6.759 -1.809 -3.027) 7.624 4.343 ( -3.235 0.997 -0.703) 3.457 4.639 ( 11.750 -6.283 -2.386) 13.536 5.391 ( 10.161 1.453 -12.769) 16.383 5.619 ( -9.514 -1.801 -20.974) 23.101 6.555 ( 0.028 4.604 -4.252) 6.267 6.888 ( -12.771 8.018 2.426) 15.273 7.152 ( 3.470 -5.621 11.216) 13.017 7.424 ( -4.677 -4.260 -2.533) 6.815 8.126 ( -9.124 2.815 -6.058) 11.308 8.266 ( 15.003 7.557 3.239) 17.108 8.584 ( 6.181 -4.626 3.042) 8.298 9.160 ( -8.492 -1.238 2.767) 9.017 9.373 ( 7.282 9.330 8.313) 14.463 9.605 ( -5.718 -7.091 14.456) 17.086 10.768 ( 0.084 17.196 -4.517) 17.779 11.256 ( -0.996 -0.401 1.330) 1.709 11.687 ( 0.054 2.256 -4.614) 5.136 12.056 ( 1.165 -2.087 4.029) 4.684 12.328 ( -11.202 -10.798 11.762) 19.505 12.902 ( -8.668 -4.411 -1.155) 9.795 13.234 ( 2.615 -2.162 9.009) 9.627 13.938 ( -14.356 -0.664 -0.887) 14.399 14.192 ( 0.788 -1.376 6.005) 6.210 15.561 ( -1.078 1.928 -4.107) 4.663 16.125 ( 33.147 2.326 -27.182) 42.930 17.333 ( -4.989 -0.970 -11.235) 12.331 18.385 ( 0.238 1.819 -6.188) 6.455 18.817 ( 0.531 -0.234 -1.033) 1.185 19.949 ( -19.885 -0.666 21.605) 29.371 22.912 ( 2.455 -3.836 10.124) 11.101 23.536 ( -6.851 -2.696 -17.609) 19.086 24.256 ( 1.350 -0.599 -5.913) 6.094 ======================= Grid point 234 (126/260) ======================= q-point: (-0.50 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.586 ( -3.615 5.942 12.284) 14.116 2.763 ( -10.514 -10.974 10.158) 18.280 3.051 ( -2.479 0.100 -2.595) 3.590 3.503 ( -3.365 -1.890 -6.121) 7.236 4.312 ( 0.412 2.833 -1.279) 3.135 4.900 ( 13.270 -5.155 -11.545) 18.329 5.438 ( -4.989 -4.233 -14.054) 15.502 5.615 ( 11.244 1.982 -11.249) 16.028 6.608 ( -7.679 7.345 -1.824) 10.781 6.670 ( 5.270 2.307 1.071) 5.852 7.127 ( -9.400 -1.967 6.536) 11.617 7.300 ( -6.715 -4.096 -3.241) 8.508 8.036 ( 2.803 1.035 4.002) 4.994 8.550 ( 8.592 10.620 0.870) 13.688 8.729 ( 9.047 -7.065 0.230) 11.481 8.912 ( -12.333 -0.854 -4.766) 13.249 9.319 ( -8.915 4.362 19.223) 21.634 9.720 ( 10.507 -1.385 8.692) 13.707 10.664 ( -9.020 8.031 7.088) 14.004 11.239 ( -0.449 8.351 -2.041) 8.609 11.650 ( -3.384 4.639 -4.784) 7.474 12.184 ( 7.403 -5.411 10.538) 13.969 12.213 ( 2.031 -9.375 -5.218) 10.919 12.713 ( -8.759 -6.006 5.082) 11.774 13.326 ( 5.115 -1.146 8.613) 10.082 13.683 ( -8.786 0.314 -3.750) 9.558 14.221 ( 0.828 -3.482 7.150) 7.996 15.486 ( -4.143 0.357 -5.428) 6.838 16.852 ( 36.153 5.629 -26.385) 45.110 17.236 ( -3.409 0.491 -13.087) 13.533 18.388 ( 0.094 3.552 -5.533) 6.576 18.811 ( -3.016 0.932 -4.754) 5.706 19.562 ( -16.122 -6.623 29.358) 34.142 22.769 ( -13.975 -3.294 -2.081) 14.508 23.576 ( 9.396 -2.188 -6.998) 11.918 24.272 ( 0.627 -0.609 -7.297) 7.349 ======================= Grid point 235 (127/260) ======================= q-point: (-0.40 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.513 ( -4.935 -2.691 12.272) 13.498 2.594 ( -5.658 1.932 7.709) 9.756 3.030 ( 1.137 -1.128 0.840) 1.809 3.323 ( -12.209 -3.885 -9.585) 16.000 4.368 ( 5.296 5.331 -2.577) 7.944 5.167 ( 13.063 -2.541 -20.126) 24.128 5.409 ( 1.870 -5.821 -0.490) 6.134 5.841 ( 10.631 2.562 -5.604) 12.288 6.436 ( -6.132 8.632 -5.225) 11.808 6.819 ( -17.478 -2.461 1.095) 17.684 6.872 ( 8.976 6.361 2.263) 11.232 7.166 ( -4.250 -10.638 -1.030) 11.502 8.205 ( 11.239 0.803 10.757) 15.578 8.598 ( -2.184 6.160 1.234) 6.652 8.631 ( -12.352 4.018 -5.566) 14.131 8.917 ( 0.977 -9.887 0.320) 9.940 9.238 ( 4.630 5.489 13.582) 15.363 9.903 ( 5.967 0.339 8.116) 10.079 10.480 ( -7.490 3.809 7.920) 11.547 11.215 ( -2.018 6.691 -2.532) 7.433 11.537 ( -7.588 5.453 -7.162) 11.773 12.174 ( -3.999 -3.584 -7.264) 9.033 12.434 ( 8.831 -0.213 10.272) 13.549 12.640 ( 4.246 -12.601 6.753) 14.913 13.433 ( 5.235 4.127 4.582) 8.089 13.632 ( 5.710 -3.171 -4.407) 7.879 14.224 ( -0.917 -4.359 8.646) 9.726 15.409 ( -2.726 -0.446 -6.537) 7.097 17.188 ( -0.327 1.872 -13.741) 13.872 17.556 ( 31.532 9.568 -25.287) 41.536 18.362 ( -4.072 6.004 -3.623) 8.109 18.590 ( -16.335 -4.357 -6.997) 18.297 19.439 ( 3.477 -9.814 35.441) 36.939 22.433 ( -17.179 -3.128 -5.775) 18.391 23.815 ( 12.430 -0.281 -3.299) 12.863 24.279 ( 0.534 -0.781 -7.941) 7.997 ======================= Grid point 236 (128/260) ======================= q-point: (-0.30 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.405 ( -4.970 4.855 8.560) 11.025 2.493 ( -5.859 5.873 10.657) 13.505 3.054 ( -9.084 -6.571 -9.789) 14.884 3.127 ( 5.584 -4.626 5.984) 9.402 4.519 ( 8.584 7.494 -4.768) 12.352 5.408 ( 7.440 3.496 -12.075) 14.608 5.473 ( 6.230 -7.383 0.961) 9.708 6.029 ( 5.607 7.387 3.914) 10.066 6.341 ( -1.456 11.257 -9.258) 14.648 6.491 ( -12.478 -8.478 0.035) 15.086 6.935 ( -0.061 2.354 -2.474) 3.416 7.243 ( 9.462 -11.415 4.324) 15.444 8.360 ( -10.208 7.861 -1.995) 13.038 8.443 ( 3.672 2.970 6.726) 8.219 8.509 ( -5.031 2.267 -1.120) 5.631 8.862 ( 0.236 -12.378 7.037) 14.241 9.438 ( 9.520 7.273 6.574) 13.665 9.970 ( 0.279 -1.810 9.030) 9.214 10.394 ( -1.096 2.384 -0.714) 2.720 11.152 ( -4.033 4.417 -4.919) 7.744 11.319 ( -12.521 4.614 -7.016) 15.076 12.024 ( -8.437 -2.768 0.047) 8.879 12.579 ( 4.534 4.475 6.524) 9.118 12.780 ( 7.140 -9.593 0.089) 11.959 13.562 ( 5.213 1.771 2.789) 6.172 13.968 ( 25.708 -2.902 -6.555) 26.689 14.208 ( 1.227 -3.815 12.404) 13.036 15.370 ( -0.636 -0.862 -6.517) 6.604 17.210 ( 2.801 5.702 -13.237) 14.683 17.871 ( -17.474 6.715 -7.169) 20.045 18.240 ( 11.520 3.293 -9.746) 15.445 18.422 ( 0.514 -8.645 -12.635) 15.318 19.676 ( 15.971 -6.336 34.809) 38.819 22.053 ( -19.326 -2.237 -3.587) 19.783 24.055 ( 10.220 1.976 -3.351) 10.935 24.292 ( 1.243 -1.432 -7.541) 7.776 ======================= Grid point 237 (129/260) ======================= q-point: (-0.20 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.318 ( -4.543 10.411 5.352) 12.556 2.373 ( -4.164 6.928 13.597) 15.818 2.920 ( -2.463 -7.540 -5.617) 9.720 3.300 ( 8.954 -4.424 12.585) 16.066 4.677 ( 6.049 7.489 -7.782) 12.378 5.361 ( -8.570 1.399 23.895) 25.424 5.722 ( 13.892 3.537 -26.244) 29.904 6.010 ( -3.928 16.614 3.287) 17.385 6.269 ( -9.905 -3.413 4.757) 11.506 6.491 ( 13.613 -5.948 -0.504) 14.864 6.993 ( 5.788 -0.371 -7.683) 9.627 7.434 ( 7.352 -9.101 2.646) 11.995 8.108 ( -11.881 11.900 -1.502) 16.883 8.367 ( -8.959 -3.000 2.029) 9.664 8.452 ( 1.235 -3.040 -3.916) 5.109 9.048 ( 12.535 -6.464 11.584) 18.251 9.568 ( 2.505 9.578 9.239) 13.542 9.943 ( -3.067 -5.440 5.764) 8.498 10.403 ( 1.285 1.694 -6.565) 6.901 10.945 ( -15.052 0.950 -24.086) 28.419 11.148 ( -2.131 4.585 9.048) 10.365 11.878 ( -4.961 -1.288 6.258) 8.089 12.593 ( -2.311 0.875 3.539) 4.316 12.985 ( 12.043 -0.083 -5.057) 13.062 13.627 ( 1.268 -0.425 0.538) 1.441 14.107 ( -2.842 -3.621 8.690) 9.833 14.791 ( 41.647 -1.542 -3.977) 41.865 15.376 ( 1.401 -0.853 -5.690) 5.922 17.094 ( -24.799 15.668 -2.256) 29.420 17.516 ( 1.280 -16.913 -6.685) 18.231 18.302 ( -3.355 0.384 -7.718) 8.424 18.664 ( 16.005 0.957 -20.486) 26.014 20.081 ( 19.646 -2.689 33.068) 38.558 21.621 ( -21.722 -0.872 3.383) 22.001 24.220 ( 5.454 4.643 -4.815) 8.631 24.323 ( 1.922 -3.071 -5.910) 6.932 ======================= Grid point 238 (130/260) ======================= q-point: (-0.10 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.250 ( -0.684 11.032 7.517) 13.367 2.366 ( 2.180 4.119 11.206) 12.136 2.916 ( 1.291 -3.666 0.191) 3.891 3.486 ( 7.729 -3.217 16.910) 18.869 4.756 ( 2.313 6.761 -8.880) 11.398 5.138 ( -12.912 3.228 25.751) 28.987 5.844 ( -5.578 16.765 -2.863) 17.899 5.968 ( -5.559 7.918 7.601) 12.303 6.169 ( 9.092 -8.883 -15.914) 20.367 6.793 ( 13.196 -4.579 3.296) 14.351 7.142 ( 8.884 4.731 -9.142) 13.597 7.503 ( -1.853 -7.643 -1.260) 7.965 7.908 ( -6.462 5.753 1.337) 8.755 8.220 ( -2.529 0.596 -2.687) 3.738 8.579 ( 10.268 -6.076 0.432) 11.939 9.134 ( -9.739 -2.609 5.915) 11.689 9.649 ( 7.017 7.118 16.309) 19.128 9.860 ( -3.792 -7.949 2.706) 9.214 10.396 ( -2.770 8.810 -13.340) 16.225 10.679 ( -6.174 -6.225 -20.128) 21.955 11.178 ( 4.405 2.123 7.403) 8.872 11.845 ( 1.658 0.965 11.619) 11.776 12.528 ( -3.675 -0.271 1.948) 4.168 13.231 ( 10.744 2.533 -10.028) 14.913 13.642 ( 1.419 -0.550 -0.931) 1.784 14.046 ( -3.129 -3.113 11.249) 12.084 15.420 ( 2.980 -0.196 -4.224) 5.173 15.594 ( 31.107 0.147 -11.617) 33.206 16.397 ( -36.994 0.360 5.038) 37.337 17.724 ( 11.686 -7.994 -21.027) 25.350 18.212 ( -2.651 0.581 -2.143) 3.458 18.931 ( 10.331 1.604 -16.967) 19.929 20.469 ( 14.885 -0.163 29.826) 33.335 21.221 ( -14.027 -0.204 15.728) 21.076 24.275 ( 0.505 4.163 -5.981) 7.305 24.355 ( 0.875 -2.426 -4.824) 5.470 ======================= Grid point 279 (131/260) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.839 ( -9.413 0.000 26.833) 28.436 2.121 ( 1.286 0.000 28.823) 28.851 2.978 ( 6.232 0.000 18.317) 19.348 3.980 ( 2.438 0.000 -17.035) 17.208 4.102 ( 7.783 0.000 -1.930) 8.019 4.159 ( 10.329 0.000 8.166) 13.167 5.260 ( 3.777 0.000 5.434) 6.618 5.601 ( -0.292 0.000 11.494) 11.498 5.819 ( 19.757 0.000 -0.825) 19.775 6.301 ( -13.473 0.000 0.660) 13.489 6.854 ( -12.351 0.000 5.179) 13.393 7.700 ( -2.055 0.000 -11.678) 11.857 8.002 ( -6.209 0.000 -0.312) 6.217 8.257 ( -3.418 0.000 0.068) 3.419 8.815 ( 8.118 0.000 3.197) 8.725 9.167 ( -4.392 0.000 12.060) 12.834 9.746 ( -5.873 0.000 -12.517) 13.827 9.978 ( -2.381 0.000 -5.305) 5.815 10.271 ( 8.627 0.000 0.339) 8.633 10.651 ( 6.386 0.000 -4.018) 7.545 11.739 ( 2.072 0.000 -2.491) 3.240 11.916 ( 6.882 0.000 -6.354) 9.367 12.488 ( 1.771 0.000 2.990) 3.475 12.560 ( 17.863 0.000 2.277) 18.007 13.551 ( 3.775 0.000 -5.139) 6.376 14.238 ( -9.878 0.000 -14.223) 17.317 14.970 ( 9.725 0.000 -6.739) 11.832 15.287 ( -13.031 0.000 -3.382) 13.462 17.092 ( -51.944 0.000 6.801) 52.388 17.732 ( 22.485 0.000 -7.731) 23.777 18.603 ( 5.633 0.000 -1.751) 5.898 18.655 ( -7.048 0.000 -3.648) 7.936 21.046 ( -11.804 0.000 29.200) 31.496 22.688 ( 40.691 0.000 -11.917) 42.401 23.293 ( 4.355 0.000 9.074) 10.065 24.188 ( -5.070 0.000 -10.617) 11.766 ======================= Grid point 280 (132/260) ======================= q-point: ( 0.10 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( 5.393 0.000 28.690) 29.192 2.140 ( 1.642 0.000 20.493) 20.559 3.175 ( 9.962 0.000 15.924) 18.784 3.961 ( -0.915 0.000 -23.693) 23.710 4.274 ( 6.808 0.000 0.088) 6.809 4.376 ( 10.072 0.000 10.286) 14.396 5.294 ( -0.385 0.000 -5.869) 5.881 5.596 ( -1.091 0.000 8.342) 8.413 6.039 ( -11.539 0.000 -1.909) 11.696 6.329 ( 23.546 0.000 8.411) 25.003 6.753 ( 6.223 0.000 1.802) 6.479 7.610 ( -4.556 0.000 -4.253) 6.233 7.859 ( -7.755 0.000 -1.365) 7.874 8.180 ( -3.711 0.000 -1.848) 4.146 8.990 ( 7.755 0.000 4.459) 8.946 9.029 ( -8.369 0.000 10.474) 13.406 9.649 ( -4.100 0.000 -7.506) 8.553 9.814 ( -12.891 0.000 4.580) 13.680 10.464 ( 9.417 0.000 -10.691) 14.247 10.759 ( 4.098 0.000 -1.141) 4.254 11.748 ( -17.165 0.000 -11.082) 20.431 11.852 ( 8.265 0.000 -0.763) 8.300 12.586 ( 7.266 0.000 2.166) 7.582 13.142 ( 29.518 0.000 -10.982) 31.495 13.640 ( 4.792 0.000 -4.190) 6.366 14.045 ( -7.800 0.000 -15.171) 17.059 14.897 ( -23.709 0.000 3.576) 23.977 15.111 ( 4.111 0.000 -3.665) 5.508 16.182 ( -30.040 0.000 18.657) 35.362 18.155 ( 16.994 0.000 -4.185) 17.502 18.428 ( -13.753 0.000 -2.687) 14.013 18.655 ( -0.087 0.000 -1.405) 1.408 20.764 ( -15.508 0.000 22.563) 27.378 23.432 ( 7.851 0.000 9.195) 12.091 23.442 ( 28.431 0.000 -23.220) 36.709 24.059 ( -6.008 0.000 -11.211) 12.720 ======================= Grid point 281 (133/260) ======================= q-point: ( 0.20 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.059 ( 15.629 0.000 24.089) 28.715 2.239 ( 6.643 0.000 9.790) 11.831 3.377 ( 8.259 0.000 11.768) 14.377 3.969 ( 3.451 0.000 -23.982) 24.229 4.362 ( 2.064 0.000 -7.723) 7.994 4.585 ( 9.359 0.000 7.537) 12.017 5.242 ( -3.915 0.000 -10.458) 11.166 5.538 ( -5.764 0.000 5.189) 7.755 5.841 ( -6.195 0.000 -0.611) 6.225 6.627 ( 9.969 0.000 8.127) 12.862 7.234 ( 33.073 0.000 1.178) 33.094 7.549 ( -1.014 0.000 7.125) 7.197 7.678 ( -9.170 0.000 -0.444) 9.181 8.105 ( -3.280 0.000 -7.519) 8.203 8.864 ( -7.475 0.000 8.444) 11.277 9.117 ( 3.110 0.000 7.822) 8.418 9.478 ( -18.042 0.000 6.428) 19.153 9.531 ( -7.353 0.000 -4.273) 8.504 10.633 ( 7.154 0.000 -12.527) 14.426 10.817 ( 1.088 0.000 3.946) 4.094 11.305 ( -23.134 0.000 -7.663) 24.370 12.061 ( 11.436 0.000 -2.387) 11.683 12.776 ( 10.420 0.000 0.979) 10.465 13.521 ( 4.277 0.000 -1.010) 4.395 13.722 ( 1.845 0.000 -13.951) 14.072 13.890 ( -6.727 0.000 -17.038) 18.318 14.564 ( -1.153 0.000 4.721) 4.860 15.145 ( -0.492 0.000 3.084) 3.123 15.844 ( -6.939 0.000 13.370) 15.064 18.021 ( -21.292 0.000 -1.598) 21.352 18.474 ( 9.708 0.000 -4.917) 10.882 18.603 ( -4.890 0.000 -2.100) 5.322 20.481 ( -11.148 0.000 18.180) 21.326 23.598 ( 7.006 0.000 8.117) 10.723 23.699 ( -3.225 0.000 -24.179) 24.393 24.047 ( 7.303 0.000 -14.012) 15.801 ======================= Grid point 282 (134/260) ======================= q-point: ( 0.30 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.396 ( 7.490 0.000 0.349) 7.498 2.417 ( 16.370 0.000 15.498) 22.542 3.501 ( 2.279 0.000 4.470) 5.018 4.043 ( 1.716 0.000 -20.642) 20.713 4.416 ( 7.070 0.000 -16.200) 17.676 4.758 ( 6.390 0.000 5.745) 8.593 5.138 ( -4.994 0.000 -12.369) 13.340 5.347 ( -12.057 0.000 2.897) 12.400 5.818 ( 3.881 0.000 3.227) 5.048 6.865 ( 11.359 0.000 7.014) 13.350 7.500 ( -5.811 0.000 -1.750) 6.069 7.563 ( 0.849 0.000 16.677) 16.699 7.955 ( 34.252 0.000 0.779) 34.261 8.030 ( -3.409 0.000 -12.471) 12.928 8.736 ( -5.049 0.000 9.075) 10.385 8.929 ( -21.623 0.000 14.988) 26.309 9.312 ( 3.032 0.000 1.852) 3.553 9.331 ( -11.651 0.000 -4.367) 12.443 10.724 ( -15.546 0.000 3.146) 15.861 10.739 ( 3.491 0.000 -12.699) 13.170 10.921 ( -7.065 0.000 5.563) 8.993 12.309 ( 12.319 0.000 -6.057) 13.728 12.995 ( 9.867 0.000 -0.302) 9.871 13.419 ( -8.930 0.000 5.621) 10.552 13.728 ( -8.316 0.000 -16.872) 18.811 13.734 ( 0.564 0.000 -10.503) 10.518 14.769 ( 14.917 0.000 -8.592) 17.214 15.110 ( -2.867 0.000 10.705) 11.082 15.808 ( 1.704 0.000 9.405) 9.558 17.531 ( -24.494 0.000 -6.494) 25.340 18.457 ( -8.482 0.000 -3.127) 9.040 18.575 ( 0.254 0.000 -5.479) 5.485 20.367 ( -0.244 0.000 17.764) 17.765 23.515 ( -10.496 0.000 -23.364) 25.613 23.713 ( 3.380 0.000 6.989) 7.763 24.180 ( 4.925 0.000 -14.944) 15.735 ======================= Grid point 283 (135/260) ======================= q-point: ( 0.40 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.525 ( 4.322 0.000 -4.361) 6.140 2.718 ( 11.684 0.000 5.060) 12.733 3.444 ( -7.685 0.000 -7.765) 10.925 3.952 ( -7.939 0.000 -17.509) 19.225 4.702 ( 19.013 0.000 -14.979) 24.204 4.818 ( -2.644 0.000 11.612) 11.909 5.053 ( -1.289 0.000 -16.267) 16.318 5.062 ( -15.264 0.000 3.062) 15.568 6.010 ( 14.655 0.000 2.865) 14.932 6.981 ( -2.377 0.000 6.333) 6.765 7.536 ( -6.125 0.000 16.781) 17.864 7.536 ( 10.274 0.000 -0.417) 10.282 7.984 ( 0.911 0.000 -8.677) 8.725 8.462 ( -22.049 0.000 14.505) 26.392 8.599 ( 17.379 0.000 -8.954) 19.550 8.712 ( 12.118 0.000 18.144) 21.819 9.052 ( -14.162 0.000 -7.438) 15.996 9.424 ( 6.573 0.000 2.102) 6.901 10.361 ( -15.488 0.000 3.903) 15.972 10.757 ( -1.266 0.000 -13.195) 13.255 10.871 ( -1.450 0.000 15.209) 15.278 12.552 ( 10.910 0.000 -12.113) 16.302 13.160 ( 5.586 0.000 -0.042) 5.586 13.247 ( -7.979 0.000 2.353) 8.319 13.524 ( -10.105 0.000 -12.279) 15.903 13.725 ( -0.882 0.000 -8.243) 8.290 15.049 ( -3.377 0.000 14.904) 15.282 15.078 ( 15.082 0.000 -7.267) 16.742 15.891 ( 5.335 0.000 5.963) 8.001 17.040 ( -21.164 0.000 -12.577) 24.619 18.280 ( -7.418 0.000 -3.722) 8.299 18.516 ( -4.293 0.000 -7.601) 8.730 20.473 ( 8.433 0.000 20.520) 22.185 23.267 ( -12.032 0.000 -26.628) 29.220 23.742 ( -0.812 0.000 6.220) 6.273 24.248 ( 2.773 0.000 -12.360) 12.668 ======================= Grid point 284 (136/260) ======================= q-point: (-0.50 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.524 ( -6.193 0.000 -2.446) 6.658 2.909 ( 6.733 0.000 -3.722) 7.694 3.229 ( -9.480 0.000 -19.545) 21.723 3.756 ( -9.245 0.000 -13.312) 16.207 4.655 ( -12.261 0.000 7.614) 14.432 4.703 ( -17.905 0.000 4.253) 18.403 5.050 ( 0.161 0.000 -9.185) 9.186 5.124 ( 19.621 0.000 -8.982) 21.579 6.422 ( 23.869 0.000 -0.646) 23.878 6.841 ( -10.168 0.000 6.554) 12.097 7.324 ( -13.000 0.000 9.741) 16.245 7.795 ( 11.192 0.000 0.472) 11.202 8.038 ( -6.636 0.000 8.487) 10.773 8.095 ( -3.390 0.000 4.845) 5.914 8.647 ( -2.484 0.000 10.672) 10.957 8.792 ( -6.133 0.000 -10.554) 12.206 9.242 ( 24.052 0.000 1.405) 24.093 9.568 ( 6.879 0.000 3.232) 7.600 10.132 ( -6.028 0.000 2.147) 6.399 10.668 ( -6.664 0.000 -13.925) 15.437 10.858 ( -0.559 0.000 19.826) 19.834 12.697 ( 1.387 0.000 -20.320) 20.368 13.064 ( -10.062 0.000 0.845) 10.098 13.231 ( 1.355 0.000 3.631) 3.876 13.338 ( -4.921 0.000 -5.755) 7.573 13.692 ( -1.892 0.000 -8.508) 8.716 14.989 ( -2.989 0.000 12.317) 12.675 15.400 ( 15.735 0.000 -0.110) 15.736 16.028 ( 8.322 0.000 3.146) 8.897 16.679 ( -12.120 0.000 -15.826) 19.934 18.178 ( -1.677 0.000 -3.389) 3.782 18.435 ( -2.239 0.000 -9.466) 9.728 20.697 ( 11.149 0.000 24.784) 27.176 22.986 ( -13.599 0.000 -30.890) 33.751 23.692 ( -4.121 0.000 5.644) 6.988 24.294 ( 2.177 0.000 -10.072) 10.304 ======================= Grid point 285 (137/260) ======================= q-point: (-0.40 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.223 ( -20.693 0.000 1.591) 20.754 2.994 ( 1.326 0.000 -8.145) 8.252 3.129 ( 0.656 0.000 -20.223) 20.234 3.579 ( -6.852 0.000 -3.603) 7.742 4.331 ( -16.736 0.000 -1.252) 16.783 4.351 ( -16.429 0.000 2.632) 16.639 5.032 ( -1.329 0.000 -3.063) 3.338 5.480 ( 13.584 0.000 -0.370) 13.589 6.568 ( -16.525 0.000 10.111) 19.373 6.907 ( 17.342 0.000 -3.810) 17.755 7.112 ( -3.636 0.000 4.981) 6.168 7.826 ( -4.749 0.000 9.371) 10.505 7.906 ( -1.354 0.000 -2.683) 3.005 8.210 ( 6.148 0.000 3.469) 7.059 8.592 ( 0.491 0.000 -7.521) 7.537 8.772 ( 0.257 0.000 15.589) 15.591 9.649 ( 15.235 0.000 -0.765) 15.254 9.705 ( 6.010 0.000 7.227) 9.400 10.131 ( 5.368 0.000 -6.466) 8.404 10.472 ( -11.141 0.000 -14.208) 18.055 10.875 ( 1.324 0.000 23.398) 23.436 12.551 ( -12.267 0.000 -19.001) 22.617 12.839 ( -10.910 0.000 1.272) 10.984 13.119 ( -9.701 0.000 4.833) 10.839 13.480 ( 15.003 0.000 -7.390) 16.724 13.635 ( -3.121 0.000 -9.244) 9.757 14.937 ( -2.611 0.000 5.721) 6.289 15.661 ( 7.163 0.000 4.038) 8.222 16.327 ( 22.509 0.000 5.003) 23.058 16.530 ( -1.387 0.000 -15.181) 15.244 18.203 ( 3.594 0.000 -2.201) 4.215 18.432 ( 2.537 0.000 -9.849) 10.171 20.934 ( 9.684 0.000 29.416) 30.969 22.670 ( -15.106 0.000 -34.529) 37.689 23.586 ( -6.030 0.000 5.200) 7.962 24.326 ( 1.282 0.000 -8.744) 8.838 ======================= Grid point 286 (138/260) ======================= q-point: (-0.30 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.813 ( -15.388 0.000 13.151) 20.242 2.907 ( -10.788 0.000 -2.217) 11.013 3.173 ( 2.850 0.000 -11.985) 12.319 3.500 ( 0.255 0.000 6.235) 6.240 4.014 ( -14.646 0.000 -0.291) 14.649 4.062 ( -7.724 0.000 -13.025) 15.143 5.010 ( -0.338 0.000 0.780) 0.851 5.654 ( 2.922 0.000 7.051) 7.632 6.183 ( -20.003 0.000 12.408) 23.539 6.986 ( -1.143 0.000 4.580) 4.720 7.213 ( 4.867 0.000 -5.854) 7.613 7.784 ( -8.806 0.000 -7.628) 11.650 7.984 ( 18.352 0.000 1.903) 18.450 8.314 ( 3.365 0.000 1.849) 3.840 8.521 ( -8.976 0.000 8.615) 12.441 8.872 ( 8.878 0.000 6.319) 10.897 9.831 ( 5.698 0.000 13.684) 14.823 9.917 ( 10.971 0.000 -5.857) 12.437 10.216 ( -11.733 0.000 -14.702) 18.810 10.257 ( 5.176 0.000 -9.617) 10.921 10.949 ( 5.017 0.000 25.839) 26.322 12.253 ( -14.264 0.000 -15.836) 21.313 12.642 ( -7.587 0.000 2.098) 7.872 12.888 ( -11.981 0.000 6.538) 13.649 13.560 ( -3.330 0.000 -9.505) 10.071 13.850 ( 19.954 0.000 -14.513) 24.673 14.873 ( -4.224 0.000 1.664) 4.540 15.709 ( -1.505 0.000 2.471) 2.893 16.598 ( 8.441 0.000 -13.861) 16.229 16.960 ( 36.049 0.000 10.096) 37.436 18.291 ( 4.002 0.000 -1.122) 4.157 18.522 ( 6.162 0.000 -8.817) 10.757 21.116 ( 6.030 0.000 33.529) 34.066 22.323 ( -16.301 0.000 -34.848) 38.472 23.456 ( -6.544 0.000 5.178) 8.345 24.335 ( 0.054 0.000 -8.343) 8.343 ======================= Grid point 287 (139/260) ======================= q-point: (-0.20 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( 4.841 0.000 30.460) 30.842 2.562 ( -20.573 0.000 11.008) 23.333 3.157 ( -5.745 0.000 1.556) 5.952 3.598 ( 8.027 0.000 7.379) 10.904 3.829 ( -1.075 0.000 -2.105) 2.364 3.993 ( 0.920 0.000 -21.717) 21.737 5.033 ( 2.667 0.000 5.754) 6.342 5.651 ( -2.243 0.000 11.329) 11.549 5.807 ( -15.080 0.000 8.242) 17.185 6.855 ( -10.984 0.000 6.795) 12.916 7.402 ( 13.018 0.000 -10.036) 16.437 7.539 ( -14.676 0.000 -5.110) 15.540 8.308 ( -10.270 0.000 9.989) 14.327 8.338 ( 1.810 0.000 -6.460) 6.709 8.401 ( 15.461 0.000 3.937) 15.955 9.060 ( 7.709 0.000 4.577) 8.965 9.937 ( 1.418 0.000 7.521) 7.653 10.037 ( -1.310 0.000 -5.277) 5.437 10.045 ( -0.318 0.000 -13.997) 14.000 10.347 ( 5.878 0.000 -4.925) 7.669 11.137 ( 12.458 0.000 24.476) 27.464 11.972 ( -11.542 0.000 -12.669) 17.138 12.530 ( -3.617 0.000 2.234) 4.252 12.659 ( -9.662 0.000 6.141) 11.449 13.502 ( -1.479 0.000 -9.150) 9.269 14.252 ( 18.304 0.000 -21.335) 28.111 14.755 ( -6.679 0.000 2.685) 7.198 15.635 ( -5.306 0.000 0.408) 5.321 16.858 ( 16.870 0.000 -12.731) 21.134 17.747 ( 36.181 0.000 8.265) 37.113 18.316 ( -3.345 0.000 -2.592) 4.232 18.651 ( 5.762 0.000 -7.414) 9.389 21.213 ( 1.389 0.000 35.898) 35.925 21.996 ( -11.033 0.000 -26.174) 28.405 23.331 ( -5.356 0.000 5.931) 7.991 24.319 ( -1.199 0.000 -8.660) 8.743 ======================= Grid point 288 (140/260) ======================= q-point: (-0.10 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.953 ( 12.757 0.000 35.242) 37.480 2.139 ( -19.312 0.000 20.089) 27.866 2.987 ( -7.541 0.000 13.000) 15.029 3.808 ( 10.964 0.000 5.734) 12.373 3.942 ( 9.594 0.000 2.027) 9.806 4.028 ( 2.640 0.000 -22.949) 23.100 5.135 ( 6.473 0.000 12.273) 13.875 5.612 ( -1.626 0.000 12.879) 12.981 5.625 ( -1.073 0.000 -2.133) 2.388 6.590 ( -14.003 0.000 4.351) 14.664 7.185 ( -18.041 0.000 1.889) 18.140 7.643 ( 8.551 0.000 -11.956) 14.699 8.133 ( -6.989 0.000 3.725) 7.920 8.315 ( -2.084 0.000 -3.117) 3.749 8.656 ( 8.229 0.000 2.587) 8.626 9.176 ( 2.778 0.000 8.771) 9.200 9.917 ( -8.755 0.000 -14.950) 17.325 9.948 ( 3.140 0.000 -17.442) 17.722 10.125 ( 5.441 0.000 16.643) 17.510 10.501 ( 8.008 0.000 -4.436) 9.155 11.513 ( 22.316 0.000 14.713) 26.729 11.781 ( -5.763 0.000 -7.572) 9.516 12.471 ( -2.201 0.000 1.627) 2.737 12.513 ( -4.345 0.000 4.384) 6.172 13.497 ( 1.504 0.000 -7.680) 7.826 14.430 ( -4.605 0.000 -21.083) 21.580 14.741 ( 9.684 0.000 0.144) 9.685 15.496 ( -7.934 0.000 -1.863) 8.150 17.265 ( 22.060 0.000 -10.683) 24.511 17.992 ( -28.248 0.000 -4.420) 28.592 18.369 ( 18.528 0.000 -1.221) 18.569 18.721 ( 0.679 0.000 -5.829) 5.868 21.201 ( -4.638 0.000 34.629) 34.938 22.017 ( 18.075 0.000 -9.471) 20.406 23.258 ( -1.455 0.000 7.509) 7.648 24.274 ( -2.789 0.000 -9.501) 9.902 ======================= Grid point 289 (141/260) ======================= q-point: ( 0.00 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( -2.950 5.429 25.830) 26.558 2.315 ( -0.749 15.232 25.517) 29.727 3.006 ( 4.537 2.239 13.632) 14.541 3.997 ( 7.298 -0.193 -1.464) 7.446 4.088 ( 2.318 2.124 -8.041) 8.634 4.278 ( 7.946 11.613 7.484) 15.938 5.332 ( 3.242 6.690 3.058) 8.038 5.587 ( -0.462 -0.393 7.739) 7.763 5.917 ( 17.136 8.340 2.404) 19.209 6.351 ( -11.428 5.394 -1.235) 12.697 6.870 ( -10.178 1.785 4.252) 11.174 7.728 ( -3.187 2.564 -7.789) 8.798 7.949 ( -7.458 -4.203 -1.298) 8.659 8.279 ( 0.472 -0.278 -2.926) 2.976 8.891 ( 5.934 8.505 2.519) 10.672 9.113 ( -3.540 -5.074 12.199) 13.678 9.671 ( -4.677 -7.166 -13.916) 16.337 9.961 ( -5.812 -2.028 -1.819) 6.418 10.240 ( 8.371 -2.524 1.220) 8.828 10.709 ( 8.263 4.753 -5.956) 11.241 11.615 ( 4.567 -8.381 0.764) 9.575 11.984 ( 9.489 3.648 -2.101) 10.381 12.379 ( -2.516 -3.129 3.566) 5.370 12.758 ( 14.408 11.459 -5.356) 19.172 13.573 ( 3.188 2.135 -3.603) 5.264 14.323 ( -9.018 7.531 -8.130) 14.287 14.942 ( 9.095 -2.037 -10.766) 14.240 15.299 ( -10.604 1.134 -4.301) 11.499 16.947 ( -45.785 -13.906 7.979) 48.511 17.704 ( 15.120 -3.265 -8.578) 17.688 18.510 ( -2.203 -5.856 -0.966) 6.331 18.727 ( 2.960 4.014 -5.277) 7.261 21.060 ( -10.465 1.454 28.611) 30.500 22.357 ( 34.134 -23.102 2.396) 41.286 23.573 ( 7.546 18.495 -2.524) 20.134 24.192 ( -5.017 0.399 -10.163) 11.341 ======================= Grid point 290 (142/260) ======================= q-point: ( 0.10 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.945 ( 8.271 11.739 22.866) 27.001 2.274 ( -1.796 12.688 19.570) 23.392 3.161 ( 7.980 -1.230 13.054) 15.349 4.012 ( -0.665 5.104 -17.950) 18.674 4.212 ( 6.140 -4.915 1.735) 8.054 4.478 ( 9.983 9.181 14.774) 20.055 5.332 ( -3.307 3.889 -9.036) 10.379 5.579 ( 0.270 -1.186 4.849) 4.999 6.090 ( -9.889 4.524 -0.295) 10.878 6.394 ( 18.694 6.502 7.476) 21.158 6.804 ( 7.004 5.111 1.179) 8.750 7.589 ( -7.976 -1.661 3.249) 8.770 7.843 ( -2.336 -0.928 -13.505) 13.737 8.259 ( -2.590 6.033 1.997) 6.862 8.940 ( -6.310 -6.014 3.804) 9.511 9.070 ( 4.745 5.795 10.961) 13.275 9.567 ( -7.810 -7.396 -4.705) 11.740 9.806 ( -7.658 -1.476 0.253) 7.803 10.391 ( 5.817 -4.986 -4.738) 9.008 10.870 ( 7.468 8.430 -5.647) 12.599 11.666 ( -3.451 -4.878 -2.561) 6.501 11.959 ( -3.976 7.439 -7.829) 11.509 12.504 ( 10.943 -6.428 5.506) 13.834 13.180 ( 22.533 2.535 -13.441) 26.359 13.637 ( 2.499 0.245 -5.214) 5.787 14.165 ( -5.302 10.489 -9.909) 15.372 14.957 ( -22.498 5.810 2.985) 23.427 15.060 ( 2.759 -4.628 -5.507) 7.705 16.075 ( -29.302 -10.254 17.776) 35.774 18.048 ( 12.416 -10.888 -3.362) 16.853 18.384 ( -7.365 -2.027 -3.547) 8.422 18.733 ( -1.660 5.503 -2.979) 6.475 20.803 ( -14.559 3.888 22.051) 26.708 23.009 ( 25.565 -22.836 0.090) 34.279 23.757 ( 8.107 12.480 -11.232) 18.645 24.070 ( -4.871 1.126 -9.898) 11.089 ======================= Grid point 291 (143/260) ======================= q-point: ( 0.20 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.175 ( 10.231 10.700 20.852) 25.573 2.329 ( 7.684 8.492 9.246) 14.719 3.323 ( 6.660 -4.433 8.444) 11.632 4.037 ( 4.365 5.768 -18.041) 19.437 4.290 ( 1.545 -5.401 -5.574) 7.914 4.685 ( 8.524 7.144 14.555) 18.318 5.219 ( -5.876 -0.687 -15.704) 16.782 5.564 ( -3.550 1.710 2.808) 4.838 5.902 ( -6.202 6.260 -0.693) 8.840 6.646 ( 9.589 1.645 7.347) 12.191 7.131 ( 11.620 -7.982 6.912) 15.700 7.505 ( 5.280 3.263 -0.042) 6.207 7.856 ( 5.187 5.769 -12.621) 14.815 8.185 ( -3.948 10.281 4.771) 12.002 8.792 ( -6.544 -6.753 7.730) 12.173 9.157 ( -2.278 2.296 10.562) 11.046 9.312 ( -11.679 -7.977 -0.053) 14.144 9.662 ( -7.100 5.840 -1.157) 9.266 10.468 ( 1.571 -9.419 -3.995) 10.351 11.008 ( 5.749 12.123 -3.728) 13.925 11.365 ( -20.221 5.512 -7.328) 22.203 12.053 ( 9.807 -0.678 -2.770) 10.213 12.749 ( 11.839 -2.190 2.888) 12.381 13.509 ( 6.252 -1.728 -2.356) 6.901 13.626 ( -2.433 -5.764 -17.853) 18.918 14.051 ( -8.297 12.241 -11.001) 18.431 14.613 ( -2.290 4.683 7.233) 8.916 15.069 ( -1.415 -7.506 3.009) 8.209 15.762 ( -5.474 -7.451 11.355) 14.643 17.941 ( -17.861 -7.805 -2.199) 19.615 18.440 ( 7.942 -2.393 -4.900) 9.634 18.660 ( -4.969 4.298 -3.031) 7.235 20.529 ( -11.400 4.816 17.737) 21.628 23.405 ( 13.348 -15.305 1.577) 20.369 23.739 ( -8.255 1.513 -17.678) 19.569 24.090 ( 5.755 3.070 -10.729) 12.556 ======================= Grid point 292 (144/260) ======================= q-point: ( 0.30 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.351 ( 7.064 1.443 10.351) 12.614 2.577 ( 12.937 9.534 4.573) 16.709 3.425 ( 2.129 -6.042 2.097) 6.741 4.110 ( -0.926 4.120 -14.155) 14.771 4.349 ( 9.072 -4.158 -14.221) 17.373 4.823 ( 3.516 3.152 13.055) 13.883 5.096 ( -4.697 -1.626 -18.902) 19.545 5.406 ( -10.728 4.023 0.706) 11.480 5.882 ( 4.267 6.701 1.369) 8.061 6.895 ( 12.537 2.788 6.319) 14.314 7.121 ( -4.687 -19.262 11.640) 22.989 7.732 ( 8.201 6.249 -5.075) 11.492 7.990 ( -0.407 -3.333 -11.168) 11.662 8.258 ( 18.603 21.783 5.306) 29.133 8.689 ( -5.355 -4.940 13.019) 14.919 8.829 ( -18.509 -7.288 9.560) 22.070 9.273 ( -1.558 1.433 -0.837) 2.277 9.505 ( -6.186 10.405 1.185) 12.163 10.431 ( -5.780 -12.852 -1.713) 14.195 10.964 ( -15.177 8.020 -1.016) 17.196 11.098 ( 2.308 15.499 -2.041) 15.803 12.277 ( 11.188 -3.203 -5.549) 12.893 12.979 ( 9.651 -1.272 1.256) 9.815 13.383 ( -10.583 -3.450 -0.481) 11.142 13.655 ( 1.889 -5.105 -10.447) 11.780 13.840 ( -9.564 7.902 -9.138) 15.408 14.770 ( 9.708 -0.588 -4.864) 10.874 15.048 ( 1.410 -5.243 8.862) 10.393 15.751 ( 2.693 -5.121 7.429) 9.416 17.505 ( -22.300 -2.680 -7.386) 23.644 18.445 ( -7.590 -1.386 -3.004) 8.280 18.606 ( 0.251 2.946 -5.448) 6.199 20.391 ( -2.157 2.563 17.472) 17.790 23.505 ( -11.231 -1.028 -23.385) 25.963 23.608 ( 5.573 -9.925 6.041) 12.886 24.185 ( 3.478 0.103 -11.890) 12.389 ======================= Grid point 293 (145/260) ======================= q-point: ( 0.40 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.487 ( 5.255 -1.517 0.915) 5.546 2.808 ( 8.599 6.716 0.475) 10.921 3.382 ( -6.276 -5.167 -7.651) 11.164 3.973 ( -9.257 0.733 -13.052) 16.019 4.638 ( 13.514 -5.498 -6.730) 16.067 4.842 ( 0.812 1.547 5.270) 5.552 4.991 ( -7.154 -2.277 -8.421) 11.281 5.187 ( -7.414 7.744 -8.873) 13.916 6.074 ( 14.010 6.290 1.723) 15.453 6.916 ( -6.811 -8.810 7.545) 13.451 7.268 ( 12.524 -7.138 10.302) 17.718 7.766 ( -5.650 8.111 1.225) 9.960 7.974 ( 3.799 -1.310 -8.070) 9.015 8.344 ( -18.417 -9.569 13.698) 24.868 8.618 ( 6.676 0.314 -4.086) 7.833 8.895 ( 19.797 16.206 10.374) 27.608 9.092 ( -12.854 3.613 -1.316) 13.417 9.500 ( 4.170 7.994 2.153) 9.270 10.230 ( -11.589 -10.112 0.870) 15.405 10.764 ( -5.128 5.379 2.267) 7.770 11.106 ( -1.683 15.732 1.859) 15.931 12.492 ( 9.292 -5.774 -11.427) 15.820 13.124 ( 1.702 -5.097 1.304) 5.530 13.186 ( -5.910 -4.061 -1.289) 7.285 13.601 ( -8.852 6.518 -7.644) 13.389 13.703 ( -0.958 -2.289 -6.004) 6.497 14.847 ( -0.463 -12.218 8.481) 14.880 15.215 ( 12.128 6.008 -1.548) 13.623 15.857 ( 7.073 -2.976 3.937) 8.625 17.054 ( -19.462 1.317 -12.853) 23.360 18.271 ( -7.269 -0.621 -3.256) 7.989 18.563 ( -3.917 4.265 -7.484) 9.463 20.452 ( 6.423 -1.870 20.638) 21.695 23.234 ( -13.268 -3.276 -25.296) 28.752 23.684 ( 1.415 -5.737 4.849) 7.644 24.233 ( 2.056 -1.530 -10.943) 11.239 ======================= Grid point 294 (146/260) ======================= q-point: (-0.50 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.523 ( -3.825 0.223 -1.087) 3.982 2.930 ( 3.504 2.219 -3.593) 5.488 3.205 ( -7.521 -2.236 -17.641) 19.307 3.759 ( -10.238 -0.532 -8.814) 13.520 4.599 ( -10.373 -5.152 6.764) 13.412 4.721 ( -15.840 0.861 0.109) 15.863 5.123 ( 1.539 6.093 -10.660) 12.374 5.134 ( 17.259 2.251 -8.538) 19.387 6.451 ( 20.991 2.908 0.063) 21.191 6.768 ( -7.718 -7.857 7.034) 13.068 7.321 ( -10.042 0.550 10.148) 14.287 7.694 ( 0.365 -5.987 2.283) 6.418 8.040 ( -0.187 -4.193 4.870) 6.429 8.131 ( 1.176 5.554 2.523) 6.213 8.682 ( -5.096 2.544 3.963) 6.938 8.815 ( -3.161 1.791 -7.664) 8.482 9.363 ( 17.809 10.299 10.897) 23.280 9.618 ( 6.602 6.525 -0.577) 9.300 10.044 ( -4.241 -6.890 0.095) 8.091 10.684 ( -3.947 4.163 0.387) 5.750 11.040 ( -4.305 13.864 7.415) 16.301 12.600 ( -0.290 -8.470 -19.534) 21.293 12.995 ( -6.484 -7.381 2.501) 10.138 13.226 ( 3.884 -1.253 3.527) 5.393 13.381 ( -10.505 4.661 -4.050) 12.185 13.695 ( -0.471 -0.261 -6.644) 6.666 14.842 ( -0.003 -11.945 10.867) 16.149 15.459 ( 10.285 2.852 -0.779) 10.701 16.060 ( 12.974 3.793 0.982) 13.552 16.716 ( -11.663 3.610 -15.902) 20.048 18.177 ( -1.253 0.126 -3.035) 3.286 18.471 ( -3.579 3.410 -9.074) 10.333 20.644 ( 9.968 -5.363 25.212) 27.636 22.928 ( -14.831 -5.532 -28.578) 32.669 23.681 ( -1.726 -1.254 4.194) 4.706 24.268 ( 1.884 -2.513 -9.736) 10.230 ======================= Grid point 295 (147/260) ======================= q-point: (-0.40 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.281 ( -17.494 5.655 3.215) 18.664 2.989 ( 2.979 0.108 -9.834) 10.276 3.105 ( -2.780 -2.683 -14.656) 15.157 3.556 ( -8.357 -2.912 0.890) 8.894 4.348 ( -13.548 -0.593 3.349) 13.968 4.395 ( -13.478 6.339 -8.309) 17.055 5.102 ( -1.194 6.885 -4.510) 8.317 5.500 ( 14.799 2.008 -1.223) 14.985 6.535 ( -13.410 -3.736 9.940) 17.105 6.899 ( 15.401 -0.874 -1.607) 15.509 7.093 ( -7.284 -2.005 4.269) 8.678 7.677 ( 1.097 -6.384 5.952) 8.797 8.087 ( -0.672 8.706 2.757) 9.157 8.179 ( 3.018 -0.603 -0.838) 3.189 8.540 ( -1.405 -5.160 -7.422) 9.147 8.869 ( 1.730 8.526 13.505) 16.065 9.600 ( 6.223 -5.154 7.486) 11.015 9.761 ( 7.118 4.948 -2.242) 8.955 10.106 ( 8.454 1.137 -2.975) 9.034 10.565 ( -7.461 7.585 -7.285) 12.895 10.972 ( -2.046 8.935 16.746) 19.090 12.445 ( -11.419 -8.721 -17.331) 22.513 12.860 ( -7.934 -0.705 2.786) 8.439 13.129 ( -10.985 2.131 3.192) 11.636 13.435 ( 13.148 -3.939 -3.611) 14.192 13.673 ( -0.445 2.727 -9.514) 9.907 14.853 ( 0.139 -7.934 7.299) 10.782 15.616 ( 4.519 -4.642 1.768) 6.715 16.390 ( 14.337 6.386 -1.274) 15.747 16.606 ( 6.746 7.115 -12.301) 15.731 18.204 ( 3.193 0.153 -1.841) 3.689 18.436 ( 1.088 0.485 -9.455) 9.530 20.864 ( 9.307 -7.064 29.859) 32.064 22.588 ( -16.391 -7.462 -30.626) 35.529 23.626 ( -3.400 3.503 2.857) 5.656 24.299 ( 1.495 -2.645 -8.746) 9.259 ======================= Grid point 296 (148/260) ======================= q-point: (-0.30 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.940 ( -12.457 11.957 14.352) 22.453 2.892 ( -14.072 -2.386 4.371) 14.927 3.106 ( 3.482 -4.707 -13.658) 14.860 3.470 ( 0.965 -2.770 6.142) 6.806 4.066 ( -11.822 4.955 0.134) 12.819 4.205 ( -4.407 12.979 -17.275) 22.052 5.081 ( -0.272 7.184 -0.118) 7.190 5.707 ( 4.744 5.163 5.879) 9.150 6.193 ( -18.766 0.596 12.548) 22.582 6.976 ( -1.156 -0.908 4.817) 5.036 7.110 ( 2.972 -8.832 -5.487) 10.813 7.790 ( 0.063 0.739 -2.542) 2.648 8.063 ( 9.305 5.691 -3.088) 11.336 8.256 ( 2.367 -4.487 1.654) 5.336 8.539 ( -2.594 -1.763 2.171) 3.815 8.908 ( 3.571 6.741 11.115) 13.481 9.706 ( 4.185 -10.732 4.251) 12.279 9.928 ( 8.693 1.490 -2.204) 9.091 10.242 ( 1.655 4.602 -1.244) 5.046 10.400 ( -5.694 9.793 -13.885) 17.920 10.989 ( 2.954 4.089 22.530) 23.087 12.182 ( -12.160 -6.005 -13.818) 19.361 12.689 ( -7.478 3.299 3.347) 8.832 12.901 ( -10.795 1.415 4.351) 11.725 13.567 ( -1.324 0.470 -6.473) 6.623 13.864 ( 19.567 1.389 -14.820) 24.585 14.834 ( -2.740 -4.010 4.025) 6.307 15.651 ( -0.965 -5.745 1.637) 6.052 16.543 ( 7.841 -2.832 -11.580) 14.269 17.094 ( 32.411 10.929 3.537) 34.386 18.280 ( 3.712 -1.153 -0.508) 3.920 18.496 ( 4.160 -2.551 -9.048) 10.280 21.047 ( 6.432 -7.094 33.624) 34.961 22.215 ( -17.744 -9.053 -28.766) 34.990 23.552 ( -3.600 8.368 1.460) 9.226 24.317 ( 0.597 -1.840 -8.322) 8.543 ======================= Grid point 297 (149/260) ======================= q-point: (-0.20 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.862 ( 3.826 14.113 28.949) 32.432 2.525 ( -19.249 -3.250 17.541) 26.245 3.126 ( -2.293 -2.514 -5.799) 6.723 3.581 ( 8.271 -1.005 6.695) 10.689 3.918 ( -1.219 8.482 -1.384) 8.680 4.168 ( 0.862 16.011 -20.174) 25.770 5.106 ( 2.868 7.411 4.880) 9.325 5.731 ( -2.719 7.588 11.810) 14.299 5.833 ( -13.544 2.491 7.149) 15.517 6.849 ( -10.255 -0.246 5.603) 11.688 7.249 ( 6.564 -10.683 -8.652) 15.234 7.639 ( -7.290 5.784 -3.579) 9.970 8.269 ( -1.130 -6.457 1.301) 6.683 8.315 ( -0.395 2.120 3.095) 3.772 8.516 ( 10.499 5.458 -2.537) 12.101 9.010 ( 4.193 -0.914 6.901) 8.127 9.805 ( 5.907 -9.483 2.062) 11.361 10.056 ( 0.048 1.406 -4.487) 4.702 10.139 ( -5.948 5.541 -8.023) 11.421 10.397 ( 4.373 4.589 -4.404) 7.719 11.132 ( 10.042 0.070 22.038) 24.218 11.948 ( -9.205 -2.023 -10.038) 13.769 12.571 ( -4.304 3.502 3.141) 6.376 12.705 ( -7.549 4.263 3.507) 9.352 13.528 ( -1.186 2.531 -7.303) 7.819 14.286 ( 20.277 2.965 -20.245) 28.807 14.734 ( -6.840 -1.758 3.499) 7.881 15.591 ( -4.553 -4.309 -0.160) 6.271 16.780 ( 15.259 -6.881 -10.413) 19.713 17.816 ( 33.992 6.029 4.665) 34.836 18.319 ( -2.035 0.301 -2.578) 3.298 18.557 ( 1.841 -9.361 -7.984) 12.440 21.161 ( 2.729 -5.367 35.317) 35.827 21.858 ( -13.124 -10.558 -18.086) 24.714 23.489 ( -2.206 13.226 0.632) 13.423 24.313 ( -0.683 -0.688 -8.539) 8.594 ======================= Grid point 298 (150/260) ======================= q-point: (-0.10 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.978 ( -2.308 3.498 28.471) 28.778 2.255 ( -1.695 10.084 28.478) 30.259 3.022 ( -5.543 2.275 4.879) 7.727 3.787 ( 10.602 -1.054 6.927) 12.708 3.999 ( 6.951 6.480 -2.986) 9.961 4.187 ( 1.655 15.023 -13.684) 20.389 5.214 ( 6.637 7.859 10.931) 15.010 5.594 ( -4.018 0.774 6.219) 7.444 5.755 ( 0.873 9.840 3.974) 10.648 6.606 ( -12.615 1.832 2.389) 12.969 7.139 ( -13.530 -3.936 0.445) 14.098 7.680 ( 7.097 3.253 -8.382) 11.455 8.137 ( -9.835 -0.357 8.049) 12.714 8.272 ( -0.176 -4.791 -8.871) 10.084 8.762 ( 8.164 9.723 1.067) 12.740 9.090 ( 3.678 -6.551 8.105) 11.051 9.841 ( -9.183 -6.299 -14.641) 18.395 9.984 ( 4.900 1.801 -12.674) 13.707 10.115 ( 0.538 -1.080 14.553) 14.603 10.537 ( 8.285 3.111 -5.301) 10.316 11.419 ( 14.740 -6.672 12.717) 20.579 11.825 ( -0.447 2.749 -2.862) 3.994 12.484 ( -4.989 2.203 2.336) 5.933 12.620 ( 0.213 8.577 -0.165) 8.581 13.525 ( 1.311 2.738 -5.753) 6.505 14.515 ( -6.478 7.570 -14.157) 17.311 14.700 ( 12.606 -3.118 -5.423) 14.072 15.472 ( -6.720 -2.389 -2.474) 7.549 17.135 ( 17.384 -12.293 -7.000) 22.412 17.994 ( -26.921 -0.549 -6.700) 27.748 18.410 ( 15.280 3.586 -2.768) 15.938 18.613 ( 5.328 -10.185 -4.613) 12.385 21.185 ( -2.900 -1.663 34.019) 34.183 21.809 ( 12.836 -15.409 -0.622) 20.065 23.478 ( 1.638 17.301 0.126) 17.378 24.276 ( -2.544 0.123 -9.262) 9.606 ======================= Grid point 299 (151/260) ======================= q-point: ( 0.00 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( 2.145 11.776 20.553) 23.784 2.581 ( 1.091 9.923 19.732) 22.114 3.043 ( 3.171 1.628 8.607) 9.316 3.964 ( 6.678 -1.102 8.531) 10.889 4.243 ( -1.258 11.617 -5.885) 13.083 4.606 ( 3.569 21.488 9.332) 23.697 5.463 ( 2.463 4.489 0.797) 5.182 5.625 ( -4.530 5.551 5.097) 8.793 6.084 ( 10.864 7.601 2.962) 13.586 6.523 ( -3.795 11.862 -5.150) 13.477 6.932 ( -4.862 4.778 1.134) 6.911 7.770 ( -9.759 -0.106 8.170) 12.728 7.863 ( -3.691 -3.877 -13.761) 14.765 8.214 ( 7.357 -4.961 -3.630) 9.587 8.923 ( -2.250 -8.868 -0.015) 9.149 9.204 ( 1.615 15.872 13.043) 20.607 9.494 ( -4.110 -9.075 -17.383) 20.035 9.895 ( -9.600 -4.503 2.905) 10.994 10.192 ( 8.139 -2.125 3.151) 8.982 10.782 ( 10.519 1.455 -8.078) 13.342 11.485 ( 6.442 -4.445 5.127) 9.357 12.045 ( 12.088 3.452 5.896) 13.885 12.374 ( -9.054 1.648 -0.919) 9.248 12.947 ( 11.118 7.508 -12.277) 18.186 13.629 ( 2.169 3.439 0.390) 4.085 14.438 ( -5.096 1.237 9.130) 10.529 14.963 ( 3.684 6.563 -22.504) 23.729 15.328 ( -4.624 1.831 -6.233) 7.974 16.600 ( -36.131 -20.191 9.259) 42.413 17.589 ( 3.792 -8.543 -12.207) 15.374 18.411 ( -0.518 -3.838 0.438) 3.898 18.792 ( 6.478 2.490 -7.941) 10.546 21.101 ( -6.929 2.630 27.118) 28.113 21.960 ( 28.148 -16.272 11.676) 34.545 23.875 ( 4.540 11.989 -6.972) 14.593 24.201 ( -4.872 0.367 -9.133) 10.358 ======================= Grid point 300 (152/260) ======================= q-point: ( 0.10 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.195 ( 9.804 12.645 14.976) 21.916 2.550 ( -3.278 12.835 13.323) 18.788 3.145 ( 5.092 0.256 11.676) 12.741 4.080 ( 3.666 -3.803 2.936) 6.044 4.185 ( -1.686 8.236 -4.206) 9.400 4.717 ( 5.176 14.537 19.055) 24.520 5.435 ( -8.300 5.867 -11.875) 15.631 5.559 ( 2.387 -1.026 0.892) 2.747 6.186 ( -3.891 5.203 2.847) 7.094 6.572 ( 6.237 10.836 0.115) 12.503 6.951 ( 7.737 9.812 -0.207) 12.497 7.563 ( -6.598 -1.115 7.117) 9.769 7.823 ( 0.338 -1.002 -19.344) 19.372 8.356 ( 4.940 3.465 3.511) 6.981 8.763 ( -9.163 -11.517 4.733) 15.460 9.271 ( 3.740 13.296 8.437) 16.185 9.390 ( -10.585 -9.242 -2.425) 14.260 9.752 ( -2.058 -3.546 -4.253) 5.907 10.314 ( 3.352 -2.715 1.960) 4.738 11.006 ( 11.009 3.863 -9.198) 14.857 11.593 ( 2.464 -2.366 3.251) 4.715 12.103 ( -8.559 6.746 -9.779) 14.642 12.408 ( 14.689 -2.093 9.259) 17.490 13.205 ( 12.823 -0.241 -15.587) 20.185 13.662 ( 0.093 2.410 -4.361) 4.984 14.361 ( -1.920 7.012 3.298) 7.983 14.948 ( -4.425 -4.245 -7.295) 9.530 15.129 ( -17.570 10.071 -2.384) 20.392 15.825 ( -26.128 -13.914 13.584) 32.569 17.770 ( 7.280 -16.128 -5.323) 18.478 18.367 ( -2.087 -0.095 -3.570) 4.136 18.824 ( -1.897 3.449 -5.642) 6.879 20.908 ( -12.001 6.584 20.902) 24.985 22.583 ( 28.076 -19.888 6.846) 35.081 23.929 ( -1.937 5.526 -12.691) 13.977 24.100 ( -1.775 1.786 -6.695) 7.153 ======================= Grid point 301 (153/260) ======================= q-point: ( 0.20 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.406 ( 5.946 10.787 12.215) 17.347 2.536 ( 4.874 11.978 8.706) 15.589 3.250 ( 4.468 -1.976 7.421) 8.885 4.123 ( 1.422 -2.284 -2.897) 3.954 4.201 ( 2.697 1.274 -5.316) 6.096 4.807 ( 2.138 5.376 20.689) 21.483 5.255 ( -7.435 3.380 -21.422) 22.926 5.563 ( -3.236 -2.482 2.085) 4.580 6.082 ( -3.612 12.062 -1.272) 12.655 6.692 ( 7.413 3.843 1.836) 8.550 7.049 ( -2.544 0.473 5.164) 5.776 7.612 ( 9.951 4.166 -4.768) 11.795 7.876 ( 5.155 0.718 -11.454) 12.581 8.432 ( 3.212 8.321 1.996) 9.140 8.640 ( -1.574 -5.242 14.465) 15.466 9.054 ( -19.557 -9.505 4.118) 22.131 9.343 ( 1.947 7.576 2.754) 8.293 9.740 ( -0.784 2.908 -3.076) 4.305 10.337 ( -1.304 -3.747 2.390) 4.631 11.212 ( 8.765 7.468 -8.176) 14.123 11.478 ( -13.400 5.345 -3.325) 14.805 12.044 ( 4.527 0.158 -4.030) 6.063 12.724 ( 13.934 0.369 5.579) 15.013 13.410 ( 6.915 -8.380 -13.626) 17.427 13.569 ( -9.421 -0.042 -7.489) 12.036 14.297 ( -9.579 11.580 -5.904) 16.146 14.717 ( -5.392 4.166 14.837) 16.327 14.881 ( -4.834 -9.795 1.869) 11.082 15.609 ( -1.257 -6.467 4.349) 7.894 17.736 ( -10.245 -12.496 -4.747) 16.842 18.393 ( 3.941 -2.482 -4.605) 6.550 18.739 ( -5.130 3.493 -4.862) 7.884 20.662 ( -11.713 8.334 16.985) 22.252 23.071 ( 18.301 -17.655 3.801) 25.711 23.755 ( -11.521 0.323 -17.058) 20.587 24.134 ( 2.904 1.338 -6.481) 7.227 ======================= Grid point 302 (154/260) ======================= q-point: ( 0.30 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.454 ( 1.547 8.235 11.065) 13.879 2.744 ( 10.744 7.014 0.582) 12.844 3.322 ( 1.478 -3.584 1.859) 4.300 4.094 ( -4.755 -5.873 -1.710) 7.748 4.321 ( 9.114 0.294 -10.441) 13.862 4.832 ( 0.143 -0.372 13.706) 13.712 5.099 ( -6.958 -0.371 -20.505) 21.656 5.444 ( -6.942 -0.807 -1.970) 7.261 6.073 ( 3.227 12.196 -1.466) 12.701 6.868 ( -0.167 -3.119 5.844) 6.626 6.983 ( 6.617 4.128 5.048) 9.290 7.796 ( 6.925 -3.586 -10.038) 12.712 7.954 ( 1.243 3.853 -1.967) 4.501 8.482 ( -2.047 -7.926 1.879) 8.399 8.582 ( -14.586 -0.770 4.849) 15.390 8.856 ( 14.066 13.523 15.918) 25.181 9.321 ( -4.850 2.154 -3.275) 6.236 9.712 ( -0.838 10.970 2.873) 11.371 10.255 ( -6.768 -4.560 2.612) 8.569 11.161 ( -13.706 11.746 -0.515) 18.059 11.353 ( 4.276 9.531 -6.292) 12.194 12.191 ( 8.097 -5.295 -3.696) 10.357 12.961 ( 7.761 -0.260 4.137) 8.798 13.281 ( -13.648 -7.646 -10.354) 18.760 13.526 ( 3.693 -7.049 -0.500) 7.973 14.026 ( -12.710 10.295 -4.753) 17.033 14.678 ( -4.572 -9.964 7.212) 13.122 14.993 ( 15.071 1.207 1.913) 15.240 15.647 ( 3.995 -4.434 1.796) 6.233 17.430 ( -16.874 -4.905 -9.302) 19.883 18.398 ( -4.877 -3.369 -3.067) 6.674 18.673 ( -0.112 3.482 -5.409) 6.434 20.471 ( -6.863 5.467 17.082) 19.203 23.364 ( 10.130 -13.876 4.863) 17.855 23.475 ( -13.996 -2.148 -21.825) 26.016 24.177 ( 1.513 -0.803 -7.486) 7.680 ======================= Grid point 303 (155/260) ======================= q-point: ( 0.40 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.509 ( 2.955 3.851 5.670) 7.464 2.925 ( 6.250 4.562 -3.085) 8.331 3.286 ( -5.015 -3.956 -5.628) 8.513 3.938 ( -9.679 -4.633 -2.155) 10.945 4.491 ( 4.385 -8.831 -0.926) 9.903 4.880 ( 1.981 -2.121 -1.231) 3.153 4.944 ( -2.717 1.128 -11.468) 11.840 5.319 ( -3.955 4.144 -12.105) 13.393 6.226 ( 11.449 7.994 0.396) 13.969 6.725 ( -8.461 -5.382 8.413) 13.090 7.265 ( 13.051 3.493 5.279) 14.505 7.878 ( -3.555 1.055 -1.460) 3.985 7.905 ( -4.987 -4.039 -1.540) 6.600 8.186 ( -7.487 -4.101 9.819) 13.011 8.613 ( 6.657 -0.625 -5.405) 8.598 9.087 ( -10.791 1.301 -12.798) 16.790 9.279 ( 15.074 14.329 22.432) 30.590 9.751 ( 5.228 17.335 2.707) 18.307 10.070 ( -10.251 -4.436 2.275) 11.399 10.943 ( -7.353 11.814 3.394) 14.323 11.385 ( -1.224 11.743 -1.745) 11.935 12.347 ( 6.740 -8.461 -8.704) 13.884 12.949 ( -9.404 -11.453 0.100) 14.819 13.127 ( 0.656 -3.013 0.697) 3.161 13.600 ( 3.418 -5.975 0.247) 6.888 13.767 ( -12.529 7.591 -3.439) 15.047 14.605 ( -2.088 -11.853 9.645) 15.424 15.310 ( 12.252 3.992 -4.739) 13.730 15.800 ( 12.383 -2.347 -0.958) 12.640 17.080 ( -15.216 1.092 -13.469) 20.350 18.264 ( -5.788 -0.008 -2.643) 6.363 18.655 ( -2.713 4.504 -6.974) 8.734 20.412 ( 0.375 -1.952 21.117) 21.211 23.147 ( -15.923 -5.346 -21.885) 27.587 23.535 ( 6.210 -8.924 2.186) 11.089 24.195 ( 0.722 -2.147 -8.418) 8.718 ======================= Grid point 304 (156/260) ======================= q-point: (-0.50 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.548 ( -0.846 2.600 2.085) 3.438 2.991 ( 0.390 3.678 -1.792) 4.110 3.145 ( -6.097 -3.829 -13.055) 14.909 3.704 ( -12.431 -5.240 0.773) 13.512 4.462 ( -5.597 -8.265 4.217) 10.836 4.713 ( -9.408 -1.869 -9.068) 13.200 5.192 ( 17.166 4.618 -9.207) 20.019 5.276 ( 0.140 6.500 -13.248) 14.757 6.530 ( 14.404 4.936 1.616) 15.312 6.569 ( -4.391 -9.898 7.926) 13.419 7.356 ( -10.297 2.157 9.573) 14.224 7.590 ( -6.965 -5.408 2.587) 9.190 7.992 ( 7.803 0.115 3.943) 8.743 8.224 ( 5.085 4.685 0.260) 6.919 8.706 ( -10.021 -0.353 -8.678) 13.261 8.841 ( 2.982 0.393 -5.305) 6.099 9.517 ( 3.475 5.376 21.606) 22.534 9.860 ( -3.679 8.335 -4.308) 10.078 9.987 ( 11.929 10.603 3.882) 16.425 10.831 ( -4.478 10.020 3.777) 11.606 11.306 ( -5.868 12.308 2.536) 13.868 12.412 ( -1.831 -10.041 -17.290) 20.078 12.800 ( -2.828 -11.575 6.181) 13.424 13.166 ( 3.561 -5.064 3.973) 7.356 13.484 ( -13.991 4.470 0.244) 14.690 13.666 ( 2.314 -2.447 -1.664) 3.757 14.608 ( 1.773 -10.684 8.499) 13.767 15.453 ( 3.107 -3.061 -3.913) 5.860 16.182 ( 22.717 7.936 -4.629) 24.504 16.806 ( -9.985 5.112 -16.085) 19.610 18.194 ( -0.667 1.772 -2.058) 2.796 18.553 ( -5.813 4.607 -8.410) 11.213 20.497 ( 6.038 -9.236 26.632) 28.827 22.793 ( -16.831 -7.583 -24.038) 30.309 23.639 ( 3.835 -2.969 1.995) 5.244 24.206 ( 0.945 -3.482 -9.134) 9.821 ======================= Grid point 305 (157/260) ======================= q-point: (-0.40 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.425 ( -10.330 8.567 6.372) 14.856 2.975 ( -2.171 -4.733 -11.816) 12.913 3.061 ( -1.991 1.435 -0.811) 2.585 3.456 ( -9.496 -6.872 4.623) 12.600 4.317 ( -7.765 -2.443 3.439) 8.836 4.549 ( -4.858 8.089 -18.268) 20.561 5.276 ( 0.258 9.735 -8.569) 12.972 5.554 ( 16.538 3.289 -4.116) 17.357 6.418 ( -8.315 -7.528 9.767) 14.873 6.872 ( 12.341 -1.631 1.756) 12.572 7.042 ( -13.577 -2.558 5.446) 14.851 7.590 ( 4.874 -4.309 5.439) 8.480 8.162 ( 5.688 4.241 4.773) 8.551 8.289 ( -3.717 7.246 -7.041) 10.766 8.423 ( -5.387 -5.321 -7.437) 10.613 9.028 ( 8.627 5.397 3.998) 10.933 9.485 ( -4.067 -4.450 13.989) 15.232 9.858 ( 3.839 4.487 -3.931) 7.094 10.250 ( 9.949 12.911 6.154) 17.423 10.733 ( -5.418 9.321 -3.527) 11.344 11.177 ( -5.872 10.978 8.979) 15.350 12.263 ( -9.459 -9.211 -15.062) 20.029 12.785 ( -1.501 -5.710 6.848) 9.042 13.179 ( -12.617 -0.229 -1.003) 12.659 13.354 ( 12.253 -2.337 4.258) 13.180 13.707 ( 2.633 0.313 -6.236) 6.776 14.670 ( 3.088 -9.617 8.768) 13.375 15.488 ( 0.960 -7.955 -2.537) 8.405 16.563 ( 2.729 10.548 -11.606) 15.919 16.778 ( 19.099 9.712 -10.256) 23.754 18.213 ( 1.648 0.935 -0.893) 2.095 18.451 ( -2.578 0.971 -8.573) 9.005 20.664 ( 7.978 -13.006 31.444) 34.951 22.425 ( -17.331 -8.160 -23.714) 30.485 23.699 ( 1.959 3.490 0.019) 4.003 24.229 ( 1.786 -4.226 -8.939) 10.047 ======================= Grid point 306 (158/260) ======================= q-point: (-0.30 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.224 ( -7.278 15.671 16.014) 23.558 2.781 ( -15.241 -7.850 13.269) 21.679 3.059 ( 0.925 -0.931 -13.226) 13.291 3.415 ( 5.134 -2.073 5.569) 7.853 4.173 ( -5.358 5.480 1.183) 7.755 4.503 ( 1.132 15.839 -23.948) 28.735 5.276 ( 0.349 11.979 -2.802) 12.308 5.833 ( 9.371 6.927 1.911) 11.809 6.184 ( -14.859 -1.677 13.551) 20.180 6.901 ( 1.172 -9.173 -1.947) 9.450 6.977 ( -1.958 -1.658 3.752) 4.545 7.793 ( 9.260 -2.861 3.915) 10.453 8.075 ( -6.568 -4.388 -9.713) 12.519 8.222 ( 1.437 2.336 -5.747) 6.368 8.489 ( 3.172 0.231 5.571) 6.415 9.137 ( 2.314 13.873 9.730) 17.103 9.476 ( 3.234 -11.825 3.664) 12.795 9.971 ( 6.415 2.736 -1.462) 7.126 10.363 ( 0.237 6.958 7.610) 10.314 10.589 ( -7.643 9.224 -14.520) 18.824 11.108 ( -0.861 7.793 16.048) 17.861 12.062 ( -8.511 -5.464 -10.356) 14.475 12.724 ( -4.140 0.093 6.974) 8.111 12.937 ( -9.563 1.437 -0.613) 9.690 13.570 ( 3.704 -0.025 -0.336) 3.719 13.894 ( 18.673 1.266 -13.156) 22.877 14.721 ( 0.935 -7.106 9.204) 11.666 15.498 ( -0.036 -9.333 -1.370) 9.433 16.556 ( 1.788 4.778 -13.716) 14.634 17.314 ( 28.436 10.519 -4.686) 30.679 18.246 ( 2.055 -2.283 0.530) 3.117 18.431 ( -0.554 -3.828 -8.966) 9.765 20.846 ( 7.705 -12.731 34.319) 37.407 22.048 ( -17.637 -6.809 -18.962) 26.776 23.728 ( 1.095 8.733 -2.653) 9.192 24.266 ( 1.965 -3.284 -8.278) 9.120 ======================= Grid point 307 (159/260) ======================= q-point: (-0.20 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.177 ( 0.168 15.928 23.986) 28.793 2.471 ( -12.125 -1.157 25.267) 28.050 3.061 ( -0.503 -4.413 -9.648) 10.621 3.592 ( 9.977 2.421 7.248) 12.567 4.123 ( 0.824 11.556 -1.504) 11.682 4.542 ( 2.892 20.632 -21.864) 30.201 5.312 ( 3.737 13.188 3.105) 14.054 5.855 ( -15.483 2.520 14.445) 21.324 5.951 ( 2.441 10.959 3.504) 11.761 6.855 ( -8.405 0.576 3.620) 9.170 7.033 ( 7.676 -11.160 -7.123) 15.304 7.745 ( -6.194 5.561 -0.595) 8.346 8.070 ( -0.396 -14.049 -2.541) 14.283 8.373 ( 5.204 1.434 -2.710) 6.040 8.475 ( 3.292 -5.010 0.319) 6.003 9.182 ( 1.214 15.943 8.150) 17.947 9.606 ( 8.719 -10.235 2.773) 13.728 10.076 ( 1.491 0.486 -0.757) 1.741 10.228 ( -11.919 3.563 -8.408) 15.015 10.495 ( 0.830 4.527 -4.245) 6.261 11.163 ( 5.236 3.359 16.757) 17.875 11.915 ( -4.935 -0.814 -4.634) 6.818 12.636 ( -4.477 2.604 4.411) 6.803 12.799 ( -3.428 4.632 -1.704) 6.009 13.587 ( -0.111 3.147 -2.641) 4.109 14.327 ( 19.814 0.014 -14.000) 24.261 14.718 ( -0.729 0.891 3.249) 3.447 15.477 ( -2.063 -7.024 -1.971) 7.582 16.653 ( 7.912 -4.335 -8.840) 12.630 17.922 ( 29.253 2.273 -1.903) 29.403 18.310 ( 0.291 -9.495 -0.690) 9.525 18.334 ( -6.600 -2.908 -10.669) 12.878 21.014 ( 6.561 -8.774 34.050) 35.769 21.699 ( -13.736 -4.734 -6.845) 16.060 23.752 ( 1.580 12.351 -4.583) 13.268 24.292 ( 0.671 -1.447 -8.106) 8.261 ======================= Grid point 308 (160/260) ======================= q-point: (-0.10 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.097 ( -6.832 8.158 22.568) 24.950 2.465 ( 6.823 9.863 30.725) 32.982 3.031 ( -1.457 -1.302 -2.309) 3.025 3.798 ( 8.873 2.411 9.204) 13.010 4.193 ( 4.859 12.287 -2.880) 13.523 4.574 ( 0.850 23.433 -10.136) 25.545 5.422 ( 4.000 12.163 10.396) 16.493 5.633 ( -3.314 3.708 5.349) 7.303 5.977 ( 0.551 11.871 3.566) 12.407 6.665 ( -8.822 3.940 -2.013) 9.870 7.062 ( -5.073 -3.461 -2.033) 6.469 7.752 ( 5.974 3.833 -1.791) 7.320 8.026 ( -4.564 -12.145 -0.524) 12.985 8.205 ( -9.014 -0.711 -1.170) 9.118 8.772 ( 14.413 -9.597 -6.294) 18.424 9.190 ( -0.357 16.709 11.433) 20.249 9.687 ( -7.794 -8.097 -13.586) 17.632 10.005 ( 2.905 0.286 -7.227) 7.794 10.079 ( -5.071 -2.648 11.509) 12.853 10.591 ( 7.771 1.530 -6.372) 10.165 11.323 ( 8.436 -2.542 11.265) 14.302 11.879 ( 2.532 3.294 2.893) 5.063 12.535 ( -5.971 2.347 1.706) 6.639 12.796 ( 3.571 8.478 -6.537) 11.285 13.593 ( 1.031 3.857 -0.928) 4.099 14.524 ( -1.758 -6.907 10.561) 12.741 14.813 ( 10.692 14.469 -26.240) 31.816 15.413 ( -3.629 -3.286 -4.081) 6.374 16.839 ( 7.321 -16.388 -1.094) 17.982 17.915 ( -26.301 -9.700 -14.283) 31.461 18.364 ( 6.206 -9.302 3.812) 11.814 18.519 ( 18.907 4.124 -8.740) 21.233 21.138 ( 2.394 -2.813 32.206) 32.418 21.574 ( 5.093 -7.466 7.715) 11.883 23.796 ( 3.109 13.880 -5.581) 15.280 24.277 ( -1.892 -0.106 -8.572) 8.779 ======================= Grid point 309 (161/260) ======================= q-point: ( 0.00 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.281 ( 3.722 10.695 14.265) 18.213 2.667 ( 2.756 -0.766 8.338) 8.815 3.103 ( 3.783 4.928 15.526) 16.722 3.965 ( 2.840 0.646 11.628) 11.987 4.480 ( -0.427 11.434 -3.029) 11.836 5.065 ( -3.583 22.576 12.161) 25.892 5.508 ( 1.606 2.511 -0.568) 3.034 5.779 ( -11.249 8.080 4.680) 14.619 6.199 ( 6.737 4.255 1.916) 8.195 6.750 ( 2.737 9.017 -9.376) 13.293 7.071 ( 3.287 9.562 -3.620) 10.739 7.627 ( -7.716 -12.717 2.117) 15.025 7.855 ( -3.042 1.840 -4.227) 5.523 8.154 ( 9.991 -0.746 -3.148) 10.502 8.749 ( -5.076 -7.133 -1.205) 8.838 9.167 ( -1.901 -14.443 -3.675) 15.024 9.673 ( -1.688 20.618 -5.217) 21.335 9.802 ( -10.816 -4.452 5.159) 12.783 10.163 ( 8.258 -0.495 6.285) 10.389 10.734 ( 10.514 -6.572 -6.986) 14.232 11.440 ( 6.896 -0.541 7.207) 9.990 12.134 ( 11.617 5.251 8.454) 15.297 12.412 ( -8.814 1.796 -1.733) 9.161 13.052 ( 6.737 3.368 -15.713) 17.425 13.699 ( 2.042 3.535 4.792) 6.295 14.366 ( -0.966 -6.485 14.144) 15.590 15.193 ( -5.210 14.842 -20.183) 25.589 15.368 ( 1.301 2.249 -7.383) 7.827 16.201 ( -28.726 -19.745 7.613) 35.680 17.392 ( -0.926 -10.518 -17.993) 20.862 18.364 ( 2.536 -1.166 1.596) 3.215 18.825 ( 6.637 0.961 -9.854) 11.920 21.156 ( -2.490 2.750 25.344) 25.614 21.726 ( 20.575 -8.015 15.718) 27.104 24.050 ( 1.363 6.299 -7.235) 9.689 24.203 ( -4.633 -0.220 -8.177) 9.400 ======================= Grid point 310 (162/260) ======================= q-point: ( 0.10 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.409 ( 7.241 8.827 8.919) 14.488 2.710 ( 1.545 3.393 3.830) 5.345 3.196 ( 3.865 4.782 17.939) 18.964 4.002 ( 0.452 -3.038 7.723) 8.311 4.401 ( -5.648 12.243 -0.721) 13.502 4.983 ( -4.813 10.064 19.567) 22.523 5.488 ( -9.364 -0.733 4.053) 10.230 5.579 ( -2.602 3.649 -9.960) 10.922 6.319 ( 4.387 8.794 -1.200) 9.901 6.774 ( -0.168 9.199 -7.001) 11.561 7.161 ( 2.443 9.657 -3.052) 10.418 7.505 ( -0.927 -5.490 -3.149) 6.396 7.860 ( 4.851 6.620 -6.859) 10.695 8.371 ( 4.216 -3.860 0.724) 5.761 8.540 ( -3.691 -8.781 6.796) 11.701 9.156 ( -6.668 -11.465 0.271) 13.266 9.552 ( -6.464 6.052 2.031) 9.084 9.748 ( 3.977 8.800 -4.102) 10.492 10.285 ( 3.361 -0.151 4.790) 5.854 10.981 ( 12.900 -6.405 -7.144) 16.077 11.578 ( 4.904 0.549 6.180) 7.909 12.210 ( -9.424 4.404 -6.409) 12.218 12.436 ( 16.064 3.970 7.194) 18.044 13.171 ( 4.803 -3.013 -15.708) 16.700 13.730 ( -0.578 4.341 -2.851) 5.225 14.371 ( 1.356 -5.320 13.279) 14.369 14.941 ( -15.427 3.267 -1.490) 15.840 15.323 ( -16.861 8.172 -4.863) 19.358 15.583 ( -15.153 -9.386 2.456) 17.993 17.464 ( 4.904 -13.991 -10.159) 17.973 18.370 ( -1.258 0.220 -2.887) 3.157 18.866 ( -1.496 1.036 -7.942) 8.148 21.043 ( -8.916 6.589 19.728) 22.630 22.254 ( 26.430 -13.380 11.648) 31.832 23.995 ( -8.032 1.782 -12.781) 15.201 24.132 ( -0.006 1.301 -4.054) 4.258 ======================= Grid point 311 (163/260) ======================= q-point: ( 0.20 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.554 ( 5.403 4.546 2.545) 7.506 2.758 ( 3.336 9.213 5.691) 11.331 3.271 ( 2.512 4.264 13.794) 14.655 3.991 ( -1.969 -7.297 6.226) 9.793 4.317 ( -1.381 7.553 -3.092) 8.278 4.882 ( -5.515 0.716 16.869) 17.762 5.267 ( -10.578 -2.983 -7.972) 13.578 5.504 ( -4.778 -1.609 -5.034) 7.124 6.368 ( -0.590 16.408 -5.230) 17.231 6.809 ( 6.281 7.186 -5.470) 11.000 7.120 ( -4.773 5.476 1.991) 7.531 7.564 ( 4.574 -6.773 -10.230) 13.094 8.010 ( 6.947 10.718 -2.127) 12.949 8.301 ( -2.572 -13.065 1.714) 13.426 8.738 ( 13.745 6.073 16.082) 22.010 8.879 ( -15.579 -7.314 1.635) 17.287 9.464 ( -4.158 2.868 -3.246) 6.004 9.844 ( 4.390 8.994 -0.693) 10.032 10.319 ( -0.206 1.851 4.535) 4.903 11.235 ( 11.062 -5.320 -7.814) 14.551 11.588 ( -5.001 5.594 3.408) 8.241 12.075 ( -1.971 3.297 -4.976) 6.287 12.768 ( 14.281 3.517 4.987) 15.530 13.215 ( -0.444 -10.703 -15.491) 18.834 13.598 ( -11.738 2.713 -3.900) 12.662 14.406 ( -2.061 -3.940 7.992) 9.146 14.685 ( -11.413 -0.065 -3.065) 11.818 14.834 ( -10.609 0.887 16.783) 19.874 15.564 ( 2.662 2.149 -4.261) 5.464 17.484 ( -3.574 -12.273 -8.256) 15.217 18.346 ( -0.364 -2.135 -4.471) 4.968 18.791 ( -4.255 1.848 -6.549) 8.025 20.831 ( -11.765 8.231 16.631) 21.972 22.754 ( 20.274 -13.878 7.178) 25.596 23.754 ( -13.603 -0.435 -16.883) 21.686 24.148 ( 0.967 0.236 -3.446) 3.587 ======================= Grid point 312 (164/260) ======================= q-point: ( 0.30 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.617 ( 0.881 6.642 4.980) 8.348 2.863 ( 6.118 6.011 0.198) 8.579 3.306 ( -0.224 2.294 5.956) 6.387 3.924 ( -4.860 -10.684 8.255) 14.350 4.330 ( 1.807 1.174 -6.293) 6.652 4.797 ( -2.847 -5.800 11.424) 13.125 5.061 ( -7.467 -1.026 -13.895) 15.807 5.398 ( -4.741 -3.015 -10.784) 12.160 6.324 ( -1.270 12.429 -3.841) 13.071 6.954 ( -3.989 9.601 -0.559) 10.412 7.069 ( 9.818 4.070 2.745) 10.977 7.649 ( 3.724 -8.419 -4.694) 10.334 8.094 ( 2.224 7.517 -0.545) 7.858 8.262 ( -6.581 -11.210 7.102) 14.813 8.550 ( -7.681 -2.218 -4.911) 9.383 9.139 ( 18.971 11.907 17.272) 28.284 9.328 ( -8.665 -1.365 -7.371) 11.458 9.917 ( 2.478 8.180 4.171) 9.511 10.285 ( -2.789 8.627 3.920) 9.878 11.340 ( -5.152 2.266 -2.784) 6.280 11.495 ( 2.114 7.617 -3.556) 8.668 12.099 ( 3.293 -2.794 -0.811) 4.395 12.962 ( -1.287 -1.667 2.908) 3.591 13.073 ( -8.047 -11.046 -11.293) 17.729 13.431 ( -0.831 -2.404 7.041) 7.486 14.211 ( -15.512 7.923 -4.712) 18.044 14.439 ( -4.889 -12.420 10.481) 16.970 15.053 ( 19.389 3.370 4.686) 20.230 15.605 ( 1.855 0.304 -4.819) 5.173 17.322 ( -10.357 -5.710 -10.646) 15.913 18.327 ( -2.032 -3.436 -3.891) 5.574 18.731 ( -0.658 2.275 -5.483) 5.973 20.590 ( -11.786 6.081 17.233) 21.746 23.104 ( 13.379 -11.786 6.627) 19.022 23.426 ( -16.484 -2.581 -21.732) 27.398 24.160 ( 0.322 -0.841 -4.663) 4.749 ======================= Grid point 313 (165/260) ======================= q-point: ( 0.40 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.625 ( 0.091 7.241 6.845) 9.965 2.978 ( 4.443 1.228 -4.436) 6.397 3.242 ( -6.229 -0.378 -0.744) 6.285 3.794 ( -8.260 -9.847 9.687) 16.094 4.345 ( -0.451 -4.931 -3.374) 5.992 4.736 ( -4.358 -8.956 -3.575) 10.583 5.036 ( 7.085 4.990 -13.656) 16.174 5.311 ( -2.345 -4.508 -14.188) 15.070 6.369 ( 6.103 7.213 -0.596) 9.467 6.769 ( -10.829 7.659 4.545) 14.021 7.330 ( 10.244 2.351 4.022) 11.253 7.695 ( -1.764 -11.350 5.303) 12.651 7.956 ( -11.830 2.640 -0.769) 12.145 8.203 ( 5.932 4.718 3.379) 8.299 8.591 ( 7.017 -1.870 -7.910) 10.738 9.068 ( -14.216 -2.377 -11.579) 18.488 9.507 ( 12.489 9.159 18.712) 24.290 9.927 ( -2.735 -0.616 8.629) 9.073 10.269 ( 3.306 23.318 0.947) 23.570 11.178 ( -7.639 10.411 1.782) 13.035 11.548 ( 0.635 5.099 -3.565) 6.254 12.189 ( 4.892 -6.508 -3.351) 8.804 12.696 ( -13.069 -14.282 0.178) 19.360 13.051 ( -1.271 -4.591 3.732) 6.052 13.488 ( 3.861 -4.292 7.321) 9.324 13.883 ( -14.989 3.578 -2.102) 15.553 14.410 ( 0.422 -7.329 9.050) 11.654 15.380 ( 5.645 3.098 -7.039) 9.541 15.774 ( 20.364 -0.384 -5.770) 21.169 17.091 ( -10.334 0.022 -13.550) 17.041 18.271 ( -2.277 0.687 -2.952) 3.791 18.725 ( -1.165 2.448 -6.113) 6.687 20.385 ( -8.060 -0.715 21.974) 23.416 23.041 ( -18.033 -5.003 -18.139) 26.063 23.361 ( 10.540 -8.145 0.200) 13.322 24.156 ( -0.318 -1.634 -6.829) 7.029 ======================= Grid point 314 (166/260) ======================= q-point: (-0.50 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.630 ( -0.261 5.706 5.546) 7.961 3.046 ( 2.887 -0.358 -1.374) 3.217 3.060 ( -10.428 -3.304 -1.867) 11.097 3.581 ( -12.635 -6.259 5.657) 15.193 4.314 ( -2.090 -5.643 -0.296) 6.025 4.659 ( -1.370 -3.129 -14.992) 15.376 5.269 ( 12.227 -0.248 -10.711) 16.257 5.318 ( 5.910 -0.146 -15.039) 16.159 6.483 ( -5.057 2.227 5.171) 7.567 6.631 ( 6.985 4.900 2.308) 8.839 7.371 ( -14.224 -0.809 11.321) 18.197 7.468 ( -5.551 -6.973 4.504) 9.986 8.030 ( 12.591 2.753 1.410) 12.966 8.345 ( 6.090 7.974 -1.023) 10.086 8.682 ( -9.443 -1.657 -14.175) 17.112 8.817 ( 2.801 -2.977 -6.162) 7.395 9.622 ( -3.398 5.532 21.352) 22.318 9.874 ( 0.480 -0.127 3.501) 3.536 10.419 ( 8.613 24.152 4.105) 25.969 11.039 ( -6.026 10.190 1.501) 11.933 11.500 ( -4.894 7.269 0.446) 8.774 12.222 ( -3.327 -9.195 -13.430) 16.612 12.577 ( 2.749 -10.293 10.644) 15.060 13.022 ( -0.582 -9.326 6.053) 11.134 13.518 ( -6.213 -0.568 6.117) 8.738 13.639 ( -3.284 -0.104 0.045) 3.286 14.447 ( 2.412 -5.764 7.338) 9.638 15.375 ( -2.157 -4.074 -8.384) 9.567 16.336 ( 30.120 7.103 -10.777) 32.769 16.898 ( -7.134 3.972 -15.917) 17.889 18.247 ( 0.014 3.442 -1.563) 3.780 18.637 ( -6.886 3.677 -7.865) 11.081 20.306 ( -0.533 -9.529 29.135) 30.658 22.655 ( -17.651 -5.962 -20.270) 27.532 23.572 ( 9.630 -3.555 1.230) 10.339 24.144 ( -0.294 -2.617 -8.960) 9.339 ======================= Grid point 315 (167/260) ======================= q-point: (-0.40 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.600 ( -3.261 9.025 8.920) 13.101 2.839 ( -9.986 -7.265 0.918) 12.383 3.124 ( 2.771 2.767 3.444) 5.215 3.315 ( -9.634 -6.864 2.005) 11.997 4.275 ( -1.086 -0.874 -0.022) 1.394 4.675 ( 3.578 4.466 -22.029) 22.760 5.397 ( 5.718 0.200 -10.907) 12.316 5.618 ( 16.942 3.003 -9.276) 19.547 6.317 ( -7.734 -0.274 7.558) 10.817 6.846 ( 5.066 -0.859 2.072) 5.541 7.016 ( -12.915 0.202 10.810) 16.843 7.443 ( 1.665 -11.053 3.799) 11.806 8.295 ( 9.228 7.588 4.032) 12.609 8.365 ( -14.032 0.837 -14.048) 19.873 8.425 ( 2.301 6.273 -1.023) 6.759 9.013 ( 10.882 -6.296 -6.654) 14.225 9.490 ( -7.221 4.105 20.783) 22.381 9.937 ( 4.137 3.590 0.041) 5.477 10.540 ( 1.403 14.649 11.801) 18.863 10.917 ( -5.954 9.007 -7.173) 12.962 11.376 ( -6.290 8.985 5.686) 12.354 12.100 ( -5.952 -7.095 -11.996) 15.155 12.679 ( 3.163 -4.328 9.552) 10.953 13.037 ( -1.792 -11.990 2.716) 12.424 13.399 ( 3.073 4.777 5.108) 7.639 13.684 ( 4.483 -2.497 -1.149) 5.258 14.509 ( 2.919 -6.462 9.560) 11.903 15.332 ( -1.291 -7.251 -7.651) 10.620 16.763 ( -2.071 8.868 -17.201) 19.463 16.965 ( 26.996 8.948 -13.727) 31.580 18.246 ( -1.017 2.588 -0.187) 2.787 18.466 ( -7.601 0.293 -7.631) 10.775 20.388 ( 6.433 -13.986 34.808) 38.060 22.293 ( -16.177 -5.015 -18.143) 24.820 23.755 ( 7.637 2.158 -0.614) 7.960 24.146 ( 1.292 -3.927 -9.777) 10.615 ======================= Grid point 316 (168/260) ======================= q-point: (-0.30 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.512 ( -5.082 12.216 14.046) 19.297 2.650 ( -9.095 -3.846 14.457) 17.507 3.018 ( -5.751 -3.131 -5.526) 8.568 3.392 ( 10.711 -1.390 8.984) 14.049 4.284 ( 1.980 6.199 -2.163) 6.858 4.776 ( 7.135 11.226 -26.220) 29.401 5.496 ( 4.086 8.271 -5.574) 10.779 5.954 ( 14.526 5.118 -5.505) 16.356 6.155 ( -9.781 0.467 13.825) 16.942 6.719 ( -4.650 -8.885 1.076) 10.086 6.959 ( -2.648 -0.464 6.237) 6.791 7.584 ( 10.079 -15.684 0.271) 18.646 8.077 ( -11.615 3.959 -11.926) 17.111 8.323 ( -3.016 8.008 -3.055) 9.086 8.540 ( 3.479 3.271 6.970) 8.449 9.201 ( 7.478 -10.795 -1.311) 13.198 9.431 ( 1.853 9.805 13.666) 16.921 10.026 ( 4.015 2.603 -0.021) 4.785 10.494 ( -5.645 6.030 12.789) 15.225 10.746 ( -10.530 6.299 -16.861) 20.853 11.275 ( -3.376 8.606 11.374) 14.657 11.988 ( -4.166 -1.882 -6.591) 8.021 12.708 ( -0.279 -1.106 8.037) 8.118 12.917 ( -6.112 -4.019 -2.175) 7.632 13.583 ( 6.167 1.721 4.010) 7.555 13.897 ( 19.051 -1.153 -8.561) 20.917 14.580 ( 3.905 -6.532 13.618) 15.600 15.318 ( 0.300 -8.192 -6.372) 10.383 16.716 ( -1.258 10.520 -16.763) 19.831 17.476 ( 20.818 5.472 -13.317) 25.312 18.197 ( -1.863 -2.469 0.176) 3.098 18.354 ( -3.607 -3.872 -6.369) 8.280 20.593 ( 10.995 -11.923 36.997) 40.396 21.959 ( -15.201 -2.510 -12.075) 19.576 23.880 ( 4.603 6.801 -4.373) 9.304 24.192 ( 3.381 -4.131 -8.380) 9.936 ======================= Grid point 317 (169/260) ======================= q-point: (-0.20 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.388 ( -8.062 4.738 14.388) 17.159 2.534 ( -0.964 6.882 23.209) 24.227 2.980 ( 1.192 -2.180 -1.368) 2.837 3.639 ( 11.553 1.059 13.162) 17.546 4.346 ( 3.849 10.751 -5.019) 12.474 4.926 ( 7.969 17.473 -25.562) 31.972 5.590 ( 5.724 13.744 2.423) 15.085 5.899 ( -13.586 3.540 15.223) 20.709 6.168 ( 5.094 9.881 0.324) 11.121 6.771 ( 4.501 -12.590 1.912) 13.506 6.886 ( -0.699 -1.025 -4.130) 4.313 7.743 ( 3.122 -17.430 -3.414) 18.034 7.872 ( -6.842 7.255 -3.049) 10.428 8.339 ( 6.986 -1.180 -8.438) 11.018 8.464 ( -10.211 0.403 7.343) 12.583 9.362 ( 6.026 -6.044 3.660) 9.286 9.552 ( 8.963 11.445 9.141) 17.172 10.076 ( -0.388 -0.285 2.553) 2.598 10.291 ( -15.297 3.521 -8.571) 17.885 10.546 ( -4.169 0.283 -5.567) 6.961 11.253 ( 0.678 5.193 12.357) 13.420 11.928 ( -1.123 2.036 0.494) 2.377 12.665 ( -4.016 0.486 4.525) 6.069 12.865 ( 1.310 1.761 -5.718) 6.125 13.642 ( 1.078 2.288 2.338) 3.444 14.280 ( 11.682 -4.005 -4.463) 13.132 14.761 ( 15.438 2.565 2.760) 15.891 15.333 ( 1.313 -7.034 -5.319) 8.916 16.669 ( -3.098 6.903 -10.990) 13.342 17.751 ( 4.134 -18.848 -10.383) 21.912 18.204 ( -0.157 0.980 -1.727) 1.992 18.343 ( 7.548 0.897 -7.117) 10.412 20.858 ( 11.956 -6.464 35.063) 37.605 21.659 ( -12.560 -0.197 -1.262) 12.625 23.955 ( 3.172 8.436 -7.190) 11.529 24.255 ( 2.420 -2.326 -7.149) 7.898 ======================= Grid point 318 (170/260) ======================= q-point: (-0.10 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.265 ( -3.301 8.384 16.367) 18.683 2.587 ( 3.687 1.468 17.565) 18.008 3.029 ( 2.881 2.758 7.598) 8.581 3.853 ( 7.638 2.195 14.800) 16.799 4.429 ( 4.187 10.722 -5.258) 12.654 5.057 ( 4.802 24.576 -14.058) 28.717 5.582 ( -8.751 3.417 14.590) 17.353 5.817 ( 6.632 15.067 4.155) 16.978 6.171 ( -3.851 6.694 4.835) 9.111 6.732 ( -1.786 1.843 -6.876) 7.340 7.008 ( 5.309 -1.983 -4.222) 7.067 7.723 ( -2.030 -15.140 -2.166) 15.428 7.843 ( 2.816 3.718 -1.164) 4.807 8.198 ( -12.579 -0.415 2.694) 12.871 8.587 ( 14.385 -7.783 -8.635) 18.495 9.354 ( -7.865 -5.217 5.765) 11.059 9.727 ( 0.733 15.897 -5.226) 16.750 9.993 ( -1.380 -1.555 -2.476) 3.234 10.023 ( -7.020 -2.227 6.855) 10.062 10.569 ( 5.357 -4.131 -5.860) 8.950 11.313 ( 4.450 0.985 9.907) 10.905 11.961 ( 4.563 4.741 6.455) 9.218 12.565 ( -5.893 0.714 1.754) 6.189 12.932 ( 5.094 5.176 -11.468) 13.574 13.663 ( 1.127 2.984 4.462) 5.484 14.374 ( 0.247 -7.319 10.140) 12.508 15.110 ( 13.339 13.718 -19.791) 27.529 15.359 ( 1.086 -1.793 -6.270) 6.611 16.561 ( -8.184 -10.271 2.061) 13.294 17.599 ( -14.261 -19.990 -20.097) 31.731 18.265 ( 5.730 -1.685 5.426) 8.070 18.601 ( 14.142 3.596 -10.683) 18.085 21.090 ( 7.561 -1.835 30.799) 31.767 21.500 ( -0.518 -1.075 10.958) 11.023 24.010 ( 2.543 8.202 -7.606) 11.471 24.268 ( -1.015 -0.792 -7.433) 7.543 ======================= Grid point 319 (171/260) ======================= q-point: ( 0.00 0.44 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.456 ( 3.262 7.111 9.249) 12.114 2.599 ( 4.613 -4.921 4.630) 8.181 3.198 ( 3.427 3.326 17.936) 18.561 3.973 ( 1.159 0.112 15.697) 15.741 4.648 ( 2.210 4.815 -4.586) 7.007 5.320 ( -13.913 3.306 19.926) 24.526 5.664 ( 3.020 10.908 -13.422) 17.557 5.881 ( -17.392 1.445 9.985) 20.106 6.262 ( 8.356 2.381 4.929) 9.990 6.838 ( 6.071 0.683 -12.084) 13.541 7.252 ( 7.503 6.979 -8.393) 13.245 7.382 ( -2.380 -9.534 -3.744) 10.515 7.918 ( 3.053 3.789 6.653) 8.242 8.141 ( 5.000 -1.359 -6.660) 8.438 8.695 ( -13.232 2.348 -2.341) 13.642 8.883 ( 2.783 -12.488 -5.222) 13.819 9.736 ( -11.487 -1.865 5.924) 13.059 9.990 ( -0.686 7.285 -3.586) 8.149 10.238 ( 6.883 11.085 4.008) 13.650 10.533 ( 10.123 -13.262 -2.340) 16.847 11.443 ( 6.859 0.342 7.915) 10.479 12.220 ( 11.371 2.713 7.455) 13.865 12.437 ( -7.240 0.629 -0.118) 7.268 13.089 ( 3.416 0.729 -16.818) 17.177 13.756 ( 3.128 1.848 7.280) 8.136 14.254 ( -1.169 -3.624 13.602) 14.125 15.388 ( 6.053 1.656 -9.365) 11.273 15.512 ( -10.704 14.843 -11.656) 21.696 15.844 ( -26.078 -16.569 4.741) 31.258 17.228 ( 0.136 -4.947 -22.794) 23.325 18.354 ( 3.833 -0.120 2.076) 4.361 18.834 ( 5.679 0.157 -10.715) 12.128 21.197 ( 0.868 1.217 24.065) 24.111 21.629 ( 14.996 -2.280 17.442) 23.115 24.137 ( -0.216 2.780 -6.615) 7.178 24.190 ( -4.619 -1.022 -7.889) 9.199 ======================= Grid point 320 (172/260) ======================= q-point: ( 0.10 0.44 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.532 ( 3.370 3.506 2.962) 5.694 2.724 ( 6.956 -0.588 3.007) 7.600 3.287 ( 4.089 3.142 20.287) 20.932 3.963 ( -2.383 -1.016 9.528) 9.874 4.620 ( -4.992 8.306 -1.287) 9.775 5.039 ( -13.709 -2.467 19.028) 23.581 5.504 ( -15.535 1.885 11.410) 19.367 5.633 ( -6.367 1.459 -9.910) 11.869 6.495 ( 12.677 6.835 -6.248) 15.699 6.941 ( 2.629 8.420 -8.324) 12.128 7.182 ( -5.319 -8.111 -4.589) 10.730 7.453 ( 3.581 1.667 -12.536) 13.144 8.059 ( 3.323 9.810 -0.887) 10.396 8.248 ( -2.722 -2.567 7.213) 8.125 8.405 ( 7.414 -8.336 1.792) 11.299 8.978 ( -3.853 -5.192 2.269) 6.852 9.554 ( -4.589 -1.147 -2.574) 5.385 9.989 ( 0.686 8.432 1.474) 8.588 10.325 ( 3.190 4.254 -3.758) 6.512 10.804 ( 14.042 -8.882 2.321) 16.776 11.593 ( 6.079 0.578 6.710) 9.073 12.279 ( -7.282 2.220 -2.726) 8.086 12.509 ( 15.437 2.390 4.235) 16.185 13.111 ( -0.638 -2.157 -15.535) 15.697 13.814 ( 0.388 3.308 -2.850) 4.384 14.246 ( -0.074 -5.008 13.493) 14.393 15.011 ( -25.516 2.511 20.665) 32.930 15.362 ( -24.737 -2.305 -15.376) 29.217 15.533 ( 6.553 2.131 -6.487) 9.464 17.264 ( 3.325 -5.637 -14.584) 15.985 18.373 ( -1.692 0.111 -2.381) 2.923 18.874 ( -1.011 0.024 -9.235) 9.290 21.142 ( -6.816 2.933 18.920) 20.322 22.072 ( 24.171 -4.846 14.229) 28.463 24.014 ( -10.109 0.356 -12.453) 16.044 24.148 ( -0.012 0.413 -2.879) 2.908 ======================= Grid point 321 (173/260) ======================= q-point: ( 0.20 0.44 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.604 ( 3.821 1.075 -3.042) 5.001 2.869 ( 6.176 2.484 2.494) 7.109 3.377 ( 3.224 4.464 20.137) 20.876 3.880 ( -6.436 -3.448 7.404) 10.399 4.480 ( -6.778 8.223 -1.091) 10.712 4.789 ( -10.765 -8.205 15.290) 20.420 5.225 ( -10.775 -0.387 4.641) 11.739 5.497 ( -6.229 0.085 -14.841) 16.096 6.657 ( -1.996 10.396 -9.104) 13.962 6.927 ( 4.023 4.219 -5.758) 8.193 7.165 ( 0.940 -2.860 -3.653) 4.734 7.507 ( 2.881 3.157 -8.790) 9.774 7.982 ( -1.633 -10.572 5.891) 12.212 8.293 ( 1.487 9.569 -4.631) 10.734 8.664 ( -2.548 -7.895 12.049) 14.629 8.875 ( 11.088 2.099 7.734) 13.681 9.475 ( -5.228 -0.323 -5.754) 7.781 10.012 ( 0.783 5.195 6.030) 7.998 10.405 ( 5.068 5.516 -7.577) 10.655 11.078 ( 11.500 -7.543 2.925) 14.061 11.660 ( -0.305 1.618 4.474) 4.768 12.158 ( -3.739 3.649 -2.882) 5.967 12.828 ( 13.578 1.811 2.223) 13.877 13.038 ( -6.050 -5.737 -15.190) 17.328 13.657 ( -14.976 2.439 -3.598) 15.595 14.257 ( 0.157 -6.222 11.798) 13.339 14.752 ( -6.642 3.890 7.601) 10.818 14.820 ( -15.815 -1.948 5.492) 16.855 15.639 ( 2.942 3.307 -5.874) 7.355 17.299 ( -0.222 -5.489 -10.795) 12.113 18.316 ( -2.746 -0.855 -4.668) 5.482 18.813 ( -3.395 0.510 -7.468) 8.219 20.953 ( -11.789 3.552 16.616) 20.680 22.559 ( 20.807 -5.356 9.328) 23.423 23.744 ( -14.890 -0.366 -16.889) 22.518 24.150 ( 0.134 0.025 -1.911) 1.916 ======================= Grid point 322 (174/260) ======================= q-point: ( 0.30 0.44 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.687 ( 3.880 1.206 -3.656) 5.466 2.965 ( 2.856 3.117 0.783) 4.300 3.422 ( -0.927 8.681 13.995) 16.495 3.703 ( -9.793 -10.908 11.299) 18.509 4.372 ( -3.720 2.507 -3.654) 5.785 4.633 ( -4.324 -7.279 9.599) 12.800 5.084 ( -2.354 1.745 -5.820) 6.516 5.343 ( -7.724 -2.019 -20.971) 22.440 6.518 ( -5.634 6.076 -6.029) 10.247 7.117 ( -2.098 4.327 -3.812) 6.136 7.129 ( 8.404 1.892 2.648) 9.012 7.543 ( -0.457 -1.447 -0.245) 1.537 8.038 ( 4.571 -7.010 7.369) 11.151 8.254 ( -4.054 4.669 -5.245) 8.108 8.505 ( -3.708 -2.011 -1.846) 4.605 9.277 ( 9.570 0.632 6.183) 11.411 9.309 ( -0.909 1.837 2.054) 2.902 10.003 ( -2.618 1.579 10.492) 10.929 10.530 ( 7.264 11.414 -7.262) 15.355 11.257 ( 4.759 -6.575 2.176) 8.403 11.620 ( -1.977 3.218 -0.435) 3.802 12.119 ( -0.088 3.595 2.301) 4.269 12.775 ( -16.903 -9.506 -13.587) 23.679 13.028 ( 2.114 0.831 5.534) 5.982 13.411 ( -4.068 -0.177 8.480) 9.407 14.243 ( -8.931 -5.163 5.190) 11.548 14.328 ( -10.431 2.511 -1.336) 10.812 15.096 ( 22.263 1.037 7.185) 23.417 15.635 ( -2.354 1.597 -7.521) 8.041 17.231 ( -5.493 -2.825 -10.917) 12.544 18.278 ( -0.506 -1.345 -4.958) 5.162 18.760 ( -0.995 0.728 -5.587) 5.721 20.682 ( -14.788 2.717 17.665) 23.197 22.936 ( 15.270 -4.651 7.806) 17.769 23.386 ( -18.140 -1.229 -21.480) 28.142 24.148 ( -0.231 -0.297 -3.445) 3.465 ======================= Grid point 323 (175/260) ======================= q-point: ( 0.40 0.44 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.743 ( 1.432 3.576 1.050) 3.992 2.995 ( 0.257 0.675 -0.958) 1.200 3.272 ( -12.947 3.048 7.869) 15.454 3.589 ( -2.426 -8.927 12.080) 15.215 4.303 ( -2.771 -0.197 -3.374) 4.370 4.596 ( -0.440 -4.168 -4.359) 6.047 5.116 ( 4.179 3.501 -15.603) 16.528 5.199 ( -2.035 -5.469 -16.340) 17.350 6.495 ( 3.835 4.279 -2.593) 6.304 6.915 ( -12.990 5.030 1.388) 13.999 7.365 ( 7.132 2.345 8.386) 11.255 7.494 ( -3.005 -8.222 7.782) 11.712 7.997 ( -6.008 1.316 -3.985) 7.328 8.312 ( 9.768 4.584 0.192) 10.792 8.542 ( 5.368 -2.468 -7.203) 9.316 9.022 ( -14.264 -1.590 -10.864) 18.001 9.640 ( 12.684 3.943 14.744) 19.845 9.906 ( -6.928 -0.878 14.103) 15.737 10.691 ( 7.881 15.690 -2.892) 17.795 11.268 ( -2.797 -1.431 0.010) 3.142 11.611 ( 0.366 1.809 -2.615) 3.201 12.158 ( 2.732 4.349 4.520) 6.842 12.410 ( -13.740 -13.445 -1.870) 19.314 12.974 ( -5.454 -2.441 6.761) 9.023 13.443 ( 3.392 -0.788 10.523) 11.085 13.907 ( -15.543 -0.239 -1.602) 15.628 14.328 ( 1.937 -1.536 7.656) 8.045 15.424 ( -1.410 1.248 -8.505) 8.711 15.776 ( 26.647 0.256 -8.241) 27.893 17.087 ( -7.001 -0.260 -13.007) 14.774 18.285 ( 1.133 0.487 -3.828) 4.021 18.753 ( -0.394 0.595 -5.362) 5.409 20.380 ( -14.342 -0.004 22.718) 26.866 22.969 ( -18.891 -2.048 -15.930) 24.796 23.243 ( 12.925 -3.327 -0.580) 13.358 24.134 ( -0.864 -0.576 -6.288) 6.373 ======================= Grid point 324 (176/260) ======================= q-point: (-0.50 0.44 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.753 ( -0.327 5.797 6.370) 8.619 2.951 ( -8.727 -4.886 5.809) 11.566 3.048 ( -2.604 -0.891 4.214) 5.033 3.489 ( -9.205 -2.663 3.891) 10.342 4.264 ( -0.413 -0.165 -3.532) 3.560 4.611 ( 3.340 -1.449 -17.941) 18.306 5.156 ( 4.403 -5.639 -11.680) 13.697 5.354 ( 13.046 1.371 -14.376) 19.462 6.602 ( -6.628 7.109 1.113) 9.783 6.690 ( 4.787 0.178 0.600) 4.828 7.342 ( -6.082 -4.442 6.717) 10.091 7.344 ( -14.880 -1.328 13.813) 20.346 8.072 ( 12.998 1.236 0.051) 13.057 8.517 ( 8.009 8.639 -3.951) 12.425 8.645 ( -0.369 -2.950 -11.903) 12.269 8.738 ( -6.827 -3.883 -8.106) 11.287 9.713 ( -8.031 2.955 19.175) 20.998 9.876 ( 6.221 0.068 7.563) 9.793 10.809 ( 1.961 12.846 6.456) 14.510 11.182 ( -4.935 3.463 -3.928) 7.196 11.591 ( -2.582 2.199 -0.719) 3.467 12.076 ( -6.429 -4.633 -8.403) 11.550 12.427 ( 10.847 -4.324 13.517) 17.863 12.855 ( -5.557 -5.664 8.053) 11.305 13.511 ( 1.939 0.160 9.669) 9.863 13.632 ( -9.577 -0.616 -1.014) 9.650 14.376 ( 2.100 -1.687 8.514) 8.930 15.317 ( -5.198 -1.611 -11.906) 13.091 16.437 ( 33.768 2.796 -14.767) 36.962 16.951 ( -4.820 1.366 -15.347) 16.144 18.308 ( 0.942 2.058 -2.227) 3.176 18.688 ( -6.650 1.351 -7.498) 10.113 20.161 ( -6.602 -4.287 31.655) 32.619 22.573 ( -17.518 -2.198 -18.335) 25.454 23.517 ( 13.147 -1.626 1.451) 13.326 24.109 ( -1.065 -0.917 -9.143) 9.251 ======================= Grid point 325 (177/260) ======================= q-point: (-0.40 0.44 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.719 ( -7.409 -1.753 8.642) 11.518 2.771 ( -2.195 4.710 9.972) 11.244 3.117 ( 6.797 -2.877 8.040) 10.914 3.224 ( -14.494 -1.822 -0.478) 14.616 4.296 ( 3.758 1.939 -4.574) 6.229 4.728 ( 8.458 1.213 -22.657) 24.214 5.312 ( 10.513 -5.176 -8.293) 14.356 5.658 ( 16.300 0.973 -12.249) 20.413 6.401 ( -7.720 5.375 0.731) 9.435 6.844 ( -5.340 0.573 2.638) 5.983 7.045 ( -5.044 2.669 12.591) 13.824 7.207 ( -4.445 -10.707 4.430) 12.411 8.383 ( 13.096 1.907 6.520) 14.753 8.403 ( -11.386 1.475 -14.311) 18.347 8.589 ( -0.914 9.136 -2.485) 9.512 8.850 ( 7.496 -8.704 -7.182) 13.547 9.568 ( -4.950 2.563 18.446) 19.269 9.991 ( 4.407 1.592 3.102) 5.620 10.754 ( -7.068 6.004 16.171) 18.641 11.056 ( -7.478 4.219 -12.329) 15.024 11.510 ( -4.810 4.079 3.959) 7.446 12.001 ( -1.105 -2.680 -9.470) 9.904 12.648 ( 5.903 1.832 10.975) 12.596 12.796 ( 0.449 -10.608 7.601) 13.058 13.499 ( 3.341 5.060 1.754) 6.312 13.615 ( 4.027 -4.248 3.321) 6.730 14.422 ( 1.925 -2.276 11.494) 11.874 15.229 ( -2.415 -2.783 -11.869) 12.428 16.883 ( -0.621 3.127 -16.994) 17.290 17.100 ( 29.305 3.972 -19.980) 35.690 18.306 ( -1.684 2.736 -1.015) 3.369 18.456 ( -14.028 -1.095 -6.512) 15.504 20.174 ( 6.058 -6.361 38.697) 39.682 22.230 ( -14.743 -1.562 -15.263) 21.278 23.783 ( 12.032 0.731 0.221) 12.057 24.089 ( -0.074 -1.629 -11.095) 11.214 ======================= Grid point 326 (178/260) ======================= q-point: (-0.30 0.44 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.561 ( -6.667 -1.208 6.913) 9.680 2.741 ( -5.440 5.445 13.285) 15.354 2.980 ( -4.787 0.090 3.740) 6.076 3.334 ( 12.464 -3.537 14.225) 19.241 4.403 ( 6.133 4.540 -6.563) 10.065 4.923 ( 11.452 3.697 -25.225) 27.948 5.554 ( 12.143 -0.630 -3.264) 12.590 6.007 ( 17.382 0.522 -9.050) 19.604 6.278 ( -6.450 10.599 4.377) 13.157 6.544 ( -13.055 -9.239 6.126) 17.126 6.959 ( -6.139 0.247 4.468) 7.597 7.321 ( 9.788 -8.473 2.466) 13.178 8.153 ( -9.826 2.544 -14.738) 17.895 8.499 ( -6.914 8.158 -0.187) 10.695 8.580 ( 0.505 0.183 6.110) 6.133 8.996 ( 9.443 -7.839 3.766) 12.837 9.577 ( 4.922 3.994 8.982) 10.993 10.064 ( 2.292 1.085 2.012) 3.237 10.584 ( -9.064 2.674 16.301) 18.842 10.823 ( -14.368 1.680 -19.891) 24.595 11.411 ( -4.739 4.286 9.104) 11.123 11.980 ( -0.927 0.387 -3.735) 3.867 12.710 ( 1.078 1.973 6.208) 6.602 12.801 ( -0.155 -6.471 0.927) 6.539 13.631 ( 3.340 2.263 4.860) 6.316 13.858 ( 21.461 -2.037 -4.923) 22.113 14.489 ( 5.169 -2.489 15.921) 16.923 15.203 ( 0.370 -3.094 -10.544) 10.995 16.905 ( 3.152 6.584 -17.764) 19.206 17.525 ( 6.489 0.278 -21.175) 22.149 18.161 ( -3.893 -0.985 -1.164) 4.181 18.294 ( -2.740 -1.842 -1.857) 3.788 20.422 ( 14.676 -4.710 39.927) 42.799 21.934 ( -13.340 -0.462 -9.034) 16.118 23.995 ( 7.486 4.815 -3.647) 9.619 24.109 ( 3.184 -4.102 -9.745) 11.042 ======================= Grid point 327 (179/260) ======================= q-point: (-0.20 0.44 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.456 ( -3.793 2.781 7.453) 8.813 2.589 ( -6.352 -1.087 10.052) 11.940 3.015 ( 4.424 3.673 13.399) 14.581 3.622 ( 13.478 -1.744 19.640) 23.884 4.511 ( 4.117 4.954 -8.759) 10.872 5.177 ( 14.093 7.046 -26.808) 31.096 5.760 ( 4.160 3.134 11.628) 12.741 6.066 ( -8.571 12.388 6.410) 16.371 6.304 ( 5.909 3.431 -6.386) 9.353 6.492 ( 8.404 -13.744 4.174) 16.641 6.875 ( -0.965 -0.460 -3.250) 3.421 7.473 ( 3.883 -8.082 -0.464) 8.979 8.002 ( -4.175 4.561 -10.663) 12.326 8.361 ( -4.130 3.030 -1.615) 5.371 8.434 ( -10.928 -3.380 4.897) 12.443 9.241 ( 9.965 -3.810 7.236) 12.891 9.734 ( 9.052 4.866 7.140) 12.514 10.070 ( -2.497 -0.208 5.309) 5.870 10.385 ( -13.924 6.061 -6.685) 16.592 10.501 ( -9.995 -4.679 -8.293) 13.805 11.337 ( -2.490 2.599 10.623) 11.216 11.972 ( 0.801 1.680 3.440) 3.911 12.666 ( -4.112 -0.116 3.859) 5.641 12.874 ( 6.027 -0.213 -7.271) 9.447 13.674 ( 1.246 0.889 5.215) 5.435 14.210 ( 7.738 -2.241 0.376) 8.065 14.795 ( 25.286 0.817 5.391) 25.868 15.229 ( 2.501 -3.009 -9.241) 10.035 16.917 ( -6.709 17.343 -14.336) 23.480 17.332 ( -12.175 -21.885 -11.552) 27.579 18.232 ( -1.034 0.875 0.459) 1.430 18.360 ( 14.776 0.659 -10.257) 17.999 20.773 ( 15.752 -2.198 36.554) 39.864 21.665 ( -11.718 0.416 0.444) 11.734 24.084 ( 2.774 4.611 -10.063) 11.412 24.203 ( 4.395 -2.725 -4.694) 6.984 ======================= Grid point 328 (180/260) ======================= q-point: (-0.10 0.44 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.415 ( -0.267 6.862 9.848) 12.006 2.537 ( 0.628 -5.171 8.141) 9.665 3.115 ( 4.011 3.777 16.067) 16.985 3.871 ( 8.282 -0.056 21.168) 22.731 4.579 ( 3.603 4.055 -8.689) 10.243 5.458 ( 12.090 13.292 -23.712) 29.750 5.618 ( -11.956 0.929 19.947) 23.274 6.105 ( 5.571 11.062 5.233) 13.446 6.216 ( -11.015 -1.127 10.909) 15.544 6.707 ( 7.890 -3.562 -9.944) 13.185 6.991 ( 12.627 0.105 -6.540) 14.220 7.474 ( -3.222 -7.651 -3.419) 8.979 7.928 ( -2.651 3.511 -0.090) 4.400 8.183 ( -8.744 -1.015 0.966) 8.856 8.484 ( 13.334 -2.657 -8.905) 16.253 9.228 ( -14.027 -4.394 2.519) 14.914 9.950 ( -5.296 -0.055 12.227) 13.325 9.962 ( 6.532 -0.017 7.192) 9.716 10.108 ( -4.990 13.293 -16.398) 21.691 10.431 ( 0.796 -9.213 -2.561) 9.596 11.337 ( 2.356 0.909 9.564) 9.892 12.039 ( 5.633 2.463 7.460) 9.667 12.569 ( -5.476 -0.061 2.238) 5.916 12.998 ( 5.846 1.629 -13.970) 15.232 13.703 ( 1.573 1.072 7.917) 8.143 14.267 ( -0.211 -3.055 10.335) 10.779 15.272 ( 7.471 2.360 -10.876) 13.404 15.364 ( 18.680 1.946 -10.750) 21.640 16.473 ( -30.135 0.228 3.337) 30.320 17.252 ( 0.123 -12.080 -24.787) 27.574 18.253 ( 3.758 -0.097 4.567) 5.915 18.650 ( 12.261 1.300 -11.708) 17.003 21.068 ( 10.052 -0.494 30.557) 32.171 21.498 ( -2.816 0.217 11.588) 11.927 24.124 ( 1.561 3.382 -9.268) 9.989 24.247 ( -0.142 -1.125 -5.636) 5.749 ======================= Grid point 369 (181/260) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.297 ( -3.615 0.000 19.300) 19.636 2.545 ( -5.722 0.000 12.082) 13.368 3.195 ( 10.255 0.000 8.340) 13.218 3.597 ( -2.818 0.000 -15.316) 15.573 4.098 ( 5.726 0.000 -3.233) 6.575 4.135 ( 8.843 0.000 -7.432) 11.551 5.549 ( -5.085 0.000 18.741) 19.418 5.814 ( 0.936 0.000 7.399) 7.458 5.945 ( 26.827 0.000 12.513) 29.602 6.305 ( -18.762 0.000 -0.894) 18.783 6.959 ( -10.438 0.000 5.310) 11.711 7.355 ( 0.544 0.000 -18.693) 18.700 8.011 ( -9.528 0.000 2.474) 9.844 8.273 ( 4.913 0.000 -2.775) 5.643 8.925 ( 3.748 0.000 8.926) 9.681 9.367 ( 0.450 0.000 7.049) 7.063 9.479 ( -7.083 0.000 -13.211) 14.989 9.742 ( 6.106 0.000 -12.799) 14.181 10.398 ( -3.385 0.000 7.283) 8.031 10.574 ( 7.061 0.000 -3.631) 7.940 11.707 ( 5.604 0.000 -0.526) 5.629 11.802 ( -3.524 0.000 -5.025) 6.137 12.546 ( -0.100 0.000 2.888) 2.889 12.595 ( 11.262 0.000 1.068) 11.312 13.502 ( 5.516 0.000 0.666) 5.556 13.881 ( -7.810 0.000 -18.292) 19.889 14.987 ( 8.748 0.000 5.076) 10.114 15.207 ( -11.702 0.000 -4.796) 12.646 17.240 ( -38.341 0.000 8.174) 39.202 17.575 ( 25.861 0.000 -8.340) 27.172 18.573 ( 5.972 0.000 -1.151) 6.082 18.593 ( -5.893 0.000 -2.419) 6.370 21.587 ( -18.121 0.000 25.710) 31.454 22.412 ( 31.685 0.000 -16.312) 35.637 23.491 ( 5.117 0.000 11.023) 12.152 23.962 ( -5.683 0.000 -12.192) 13.452 ======================= Grid point 370 (182/260) ======================= q-point: ( 0.10 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.325 ( 5.070 0.000 23.131) 23.680 2.439 ( -4.086 0.000 9.370) 10.222 3.416 ( 9.763 0.000 10.298) 14.190 3.527 ( -2.610 0.000 -19.072) 19.250 4.137 ( -1.510 0.000 -12.127) 12.221 4.263 ( 4.687 0.000 -15.715) 16.399 5.480 ( -2.983 0.000 17.863) 18.110 5.841 ( -1.013 0.000 12.508) 12.549 5.952 ( -12.317 0.000 -7.334) 14.335 6.556 ( 26.451 0.000 13.002) 29.474 6.826 ( 1.328 0.000 5.886) 6.034 7.376 ( 3.181 0.000 -13.965) 14.323 7.834 ( -7.765 0.000 0.083) 7.765 8.298 ( -2.974 0.000 8.633) 9.131 9.039 ( 7.279 0.000 0.870) 7.331 9.157 ( -12.785 0.000 0.390) 12.791 9.505 ( 2.183 0.000 -4.385) 4.898 9.800 ( -2.587 0.000 -5.396) 5.984 10.345 ( -0.231 0.000 -0.920) 0.948 10.714 ( 6.489 0.000 -3.468) 7.357 11.574 ( -15.863 0.000 -6.044) 16.975 11.836 ( 6.628 0.000 -0.971) 6.699 12.611 ( 5.781 0.000 0.168) 5.784 12.950 ( 20.079 0.000 -9.261) 22.112 13.604 ( 3.476 0.000 1.376) 3.738 13.707 ( -7.358 0.000 -16.555) 18.116 14.931 ( -14.131 0.000 0.034) 14.131 15.157 ( 6.964 0.000 6.186) 9.315 16.516 ( -28.806 0.000 15.627) 32.772 18.068 ( 20.591 0.000 -4.480) 21.072 18.379 ( -14.653 0.000 -2.159) 14.812 18.626 ( -0.541 0.000 -1.390) 1.491 21.179 ( -20.532 0.000 19.605) 28.389 22.973 ( 20.669 0.000 -25.073) 32.494 23.626 ( 6.768 0.000 10.561) 12.544 23.835 ( -4.912 0.000 -11.364) 12.380 ======================= Grid point 371 (183/260) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.397 ( -0.480 0.000 6.462) 6.480 2.501 ( 9.377 0.000 20.023) 22.110 3.498 ( 1.342 0.000 -22.822) 22.862 3.577 ( 3.987 0.000 8.536) 9.421 4.053 ( -4.146 0.000 -19.874) 20.302 4.355 ( 6.347 0.000 -20.957) 21.896 5.417 ( -4.453 0.000 18.093) 18.632 5.633 ( -11.510 0.000 -4.138) 12.231 5.938 ( 2.992 0.000 13.753) 14.074 6.773 ( 6.272 0.000 6.780) 9.236 7.258 ( 24.350 0.000 -0.104) 24.350 7.488 ( 8.040 0.000 -9.197) 12.216 7.703 ( -2.439 0.000 4.595) 5.202 8.183 ( -7.837 0.000 12.029) 14.357 8.910 ( -10.445 0.000 -5.188) 11.663 9.204 ( 7.901 0.000 0.297) 7.907 9.498 ( -2.914 0.000 2.839) 4.068 9.599 ( -15.628 0.000 5.551) 16.584 10.395 ( 3.972 0.000 -10.202) 10.948 10.816 ( 1.522 0.000 -5.474) 5.681 11.227 ( -14.309 0.000 1.973) 14.445 11.981 ( 7.369 0.000 -6.068) 9.546 12.766 ( 8.697 0.000 -2.208) 8.973 13.322 ( 14.449 0.000 -15.887) 21.475 13.567 ( -5.348 0.000 -13.934) 14.925 13.614 ( -3.067 0.000 1.461) 3.398 14.690 ( -6.639 0.000 6.256) 9.122 15.278 ( 4.226 0.000 8.996) 9.940 16.107 ( -11.763 0.000 13.439) 17.860 17.970 ( -23.948 0.000 -3.056) 24.143 18.393 ( 9.724 0.000 -3.631) 10.379 18.556 ( -5.893 0.000 -2.321) 6.333 20.830 ( -12.138 0.000 17.513) 21.308 23.168 ( -0.694 0.000 -29.383) 29.391 23.762 ( 5.437 0.000 8.718) 10.275 23.808 ( 3.472 0.000 -10.704) 11.253 ======================= Grid point 372 (184/260) ======================= q-point: ( 0.30 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.414 ( 1.631 0.000 2.302) 2.821 2.675 ( 5.787 0.000 9.817) 11.396 3.515 ( -1.008 0.000 -30.687) 30.703 3.544 ( -7.580 0.000 -1.056) 7.653 4.068 ( 10.000 0.000 -15.096) 18.108 4.541 ( 12.081 0.000 -14.275) 18.701 5.300 ( -7.926 0.000 15.560) 17.462 5.419 ( -9.479 0.000 -1.450) 9.589 6.023 ( 4.846 0.000 17.325) 17.990 6.971 ( 10.702 0.000 3.967) 11.414 7.403 ( -3.406 0.000 -7.528) 8.262 7.684 ( 10.534 0.000 -5.854) 12.052 7.984 ( 22.936 0.000 2.922) 23.122 8.002 ( -9.856 0.000 11.846) 15.410 8.735 ( -5.671 0.000 -10.086) 11.571 9.205 ( -21.728 0.000 11.167) 24.429 9.359 ( 7.002 0.000 4.059) 8.094 9.397 ( -6.474 0.000 11.693) 13.365 10.452 ( 1.560 0.000 -15.451) 15.529 10.650 ( -14.745 0.000 -8.242) 16.892 11.132 ( 2.748 0.000 13.994) 14.261 12.130 ( 7.083 0.000 -12.405) 14.285 12.953 ( 9.022 0.000 -4.270) 9.981 13.429 ( -5.528 0.000 -7.335) 9.184 13.462 ( -4.334 0.000 -9.102) 10.081 13.569 ( 2.291 0.000 -3.001) 3.775 14.716 ( 8.341 0.000 2.219) 8.631 15.343 ( 1.421 0.000 12.231) 12.313 15.987 ( -1.655 0.000 8.974) 9.125 17.401 ( -29.379 0.000 -6.685) 30.130 18.392 ( -9.102 0.000 -3.052) 9.600 18.465 ( -1.898 0.000 -5.602) 5.915 20.737 ( 2.276 0.000 20.210) 20.338 23.006 ( -11.176 0.000 -28.412) 30.531 23.849 ( 2.296 0.000 7.049) 7.413 23.911 ( 5.649 0.000 -12.026) 13.287 ======================= Grid point 373 (185/260) ======================= q-point: ( 0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.458 ( 2.382 0.000 -0.892) 2.543 2.753 ( 1.970 0.000 -1.487) 2.469 3.289 ( -15.646 0.000 -7.369) 17.294 3.417 ( -4.898 0.000 -31.911) 32.285 4.444 ( 23.835 0.000 -8.872) 25.433 4.797 ( 11.808 0.000 -5.275) 12.933 5.092 ( -12.867 0.000 10.337) 16.505 5.203 ( -12.115 0.000 4.817) 13.038 6.192 ( 11.378 0.000 14.978) 18.809 7.042 ( -5.444 0.000 -0.133) 5.445 7.480 ( 12.470 0.000 -4.950) 13.417 7.753 ( -10.812 0.000 2.561) 11.111 7.930 ( 8.980 0.000 6.413) 11.035 8.406 ( 16.445 0.000 -9.577) 19.031 8.650 ( -3.343 0.000 -14.042) 14.435 8.740 ( -22.645 0.000 13.350) 26.288 9.311 ( 0.093 0.000 23.016) 23.016 9.509 ( 7.414 0.000 7.025) 10.213 10.336 ( -13.901 0.000 -5.612) 14.991 10.434 ( -2.450 0.000 -19.102) 19.258 11.219 ( 3.660 0.000 19.633) 19.971 12.245 ( 4.182 0.000 -18.953) 19.409 13.121 ( 7.024 0.000 -4.565) 8.377 13.272 ( -7.872 0.000 -0.028) 7.872 13.376 ( -3.493 0.000 -2.288) 4.175 13.588 ( -0.768 0.000 -5.994) 6.042 14.993 ( 17.290 0.000 -1.286) 17.338 15.338 ( -3.014 0.000 13.889) 14.212 16.006 ( 2.524 0.000 5.732) 6.263 16.806 ( -25.390 0.000 -11.126) 27.721 18.212 ( -7.088 0.000 -2.696) 7.584 18.363 ( -6.047 0.000 -7.546) 9.670 20.910 ( 11.959 0.000 24.165) 26.962 22.718 ( -14.701 0.000 -29.270) 32.755 23.862 ( -1.374 0.000 6.138) 6.290 24.013 ( 4.735 0.000 -11.002) 11.977 ======================= Grid point 374 (186/260) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.492 ( -0.433 0.000 0.642) 0.774 2.773 ( 0.432 0.000 -9.589) 9.599 2.947 ( -14.226 0.000 -7.496) 16.080 3.332 ( -1.328 0.000 -23.525) 23.562 4.774 ( -17.875 0.000 4.534) 18.441 4.901 ( -15.827 0.000 9.690) 18.558 4.960 ( 23.280 0.000 -6.543) 24.182 4.989 ( 6.319 0.000 1.270) 6.445 6.516 ( 18.453 0.000 9.172) 20.607 6.877 ( -8.818 0.000 -3.188) 9.377 7.485 ( -14.035 0.000 7.507) 15.917 7.749 ( 10.781 0.000 -4.619) 11.729 8.121 ( 7.975 0.000 3.923) 8.887 8.315 ( -17.850 0.000 13.142) 22.166 8.471 ( -8.606 0.000 -14.206) 16.610 8.740 ( 13.981 0.000 -5.999) 15.213 9.470 ( 11.764 0.000 19.795) 23.027 9.680 ( 8.654 0.000 8.463) 12.105 10.083 ( -9.656 0.000 -6.783) 11.800 10.335 ( -5.896 0.000 -19.694) 20.558 11.292 ( 2.366 0.000 23.801) 23.918 12.256 ( -2.568 0.000 -24.031) 24.167 13.100 ( -9.011 0.000 2.662) 9.396 13.231 ( 3.371 0.000 -3.950) 5.193 13.329 ( -0.467 0.000 4.829) 4.852 13.548 ( -2.419 0.000 -6.407) 6.848 15.214 ( -9.312 0.000 9.843) 13.550 15.395 ( 19.726 0.000 -0.597) 19.735 16.101 ( 7.596 0.000 4.332) 8.744 16.403 ( -11.884 0.000 -12.050) 16.924 18.128 ( -0.436 0.000 -1.222) 1.297 18.260 ( -2.540 0.000 -7.808) 8.210 21.212 ( 14.823 0.000 27.614) 31.341 22.375 ( -16.477 0.000 -31.107) 35.201 23.803 ( -4.407 0.000 5.839) 7.315 24.096 ( 3.628 0.000 -9.564) 10.229 ======================= Grid point 375 (187/260) ======================= q-point: (-0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.365 ( -10.449 0.000 14.050) 17.509 2.767 ( -0.372 0.000 -13.841) 13.846 2.825 ( 2.808 0.000 -9.786) 10.181 3.350 ( 3.990 0.000 -12.165) 12.802 4.372 ( -20.213 0.000 -0.384) 20.217 4.517 ( -20.065 0.000 12.740) 23.768 5.070 ( 1.894 0.000 5.603) 5.915 5.416 ( 18.947 0.000 -5.729) 19.794 6.674 ( -11.105 0.000 -0.850) 11.137 6.907 ( 16.317 0.000 3.180) 16.624 7.215 ( -10.911 0.000 6.162) 12.531 7.821 ( -5.070 0.000 -4.781) 6.969 8.057 ( -6.331 0.000 13.298) 14.728 8.248 ( 3.840 0.000 1.195) 4.022 8.381 ( 3.587 0.000 -12.579) 13.080 8.999 ( 8.575 0.000 5.178) 10.017 9.679 ( 5.087 0.000 5.137) 7.229 9.873 ( 8.975 0.000 8.205) 12.160 9.992 ( 3.443 0.000 -6.892) 7.704 10.180 ( -7.566 0.000 -14.124) 16.023 11.351 ( 2.298 0.000 24.699) 24.806 12.110 ( -9.635 0.000 -24.447) 26.277 12.901 ( -9.916 0.000 4.685) 10.967 13.205 ( -5.609 0.000 3.268) 6.492 13.419 ( 8.603 0.000 0.919) 8.651 13.487 ( -3.019 0.000 -5.962) 6.683 15.011 ( -8.962 0.000 1.568) 9.098 15.682 ( 5.939 0.000 -2.246) 6.350 16.282 ( -0.226 0.000 -10.147) 10.150 16.444 ( 26.675 0.000 7.070) 27.596 18.184 ( 5.125 0.000 0.688) 5.171 18.269 ( 3.751 0.000 -6.341) 7.368 21.525 ( 13.170 0.000 30.667) 33.376 22.014 ( -16.218 0.000 -32.041) 35.912 23.694 ( -6.045 0.000 5.930) 8.468 24.149 ( 1.857 0.000 -8.800) 8.994 ======================= Grid point 376 (188/260) ======================= q-point: (-0.30 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.233 ( -1.089 0.000 28.503) 28.523 2.734 ( -2.572 0.000 -12.685) 12.943 2.950 ( 7.942 0.000 -9.623) 12.478 3.479 ( 8.573 0.000 -2.993) 9.080 3.973 ( -16.663 0.000 -3.462) 17.018 4.113 ( -18.336 0.000 11.088) 21.428 5.109 ( 2.338 0.000 8.414) 8.732 5.709 ( 8.897 0.000 -2.145) 9.152 6.396 ( -15.775 0.000 6.429) 17.034 7.072 ( 0.841 0.000 3.344) 3.448 7.114 ( -0.526 0.000 -2.044) 2.111 7.631 ( -10.226 0.000 -6.750) 12.253 8.102 ( 8.091 0.000 7.368) 10.943 8.295 ( 2.556 0.000 -1.237) 2.839 8.516 ( 5.741 0.000 -8.583) 10.326 9.045 ( -2.653 0.000 11.418) 11.722 9.770 ( 5.481 0.000 -9.374) 10.859 9.933 ( -6.800 0.000 -12.457) 14.193 10.137 ( 7.570 0.000 -2.059) 7.845 10.139 ( 7.334 0.000 15.092) 16.780 11.423 ( 3.665 0.000 22.454) 22.751 11.873 ( -10.798 0.000 -21.586) 24.136 12.716 ( -7.600 0.000 5.277) 9.253 13.031 ( -10.691 0.000 8.151) 13.444 13.421 ( -2.870 0.000 -4.728) 5.531 13.650 ( 12.882 0.000 -6.228) 14.308 14.869 ( -4.918 0.000 -2.084) 5.341 15.695 ( -2.912 0.000 -3.917) 4.881 16.359 ( 8.054 0.000 -10.800) 13.473 17.132 ( 36.172 0.000 7.690) 36.980 18.298 ( 4.355 0.000 1.884) 4.745 18.393 ( 7.666 0.000 -4.272) 8.776 21.692 ( -12.109 0.000 -29.360) 31.759 21.773 ( 8.715 0.000 33.303) 34.425 23.569 ( -6.070 0.000 6.372) 8.800 24.162 ( -0.177 0.000 -8.941) 8.943 ======================= Grid point 377 (189/260) ======================= q-point: (-0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.357 ( 9.985 0.000 33.762) 35.208 2.626 ( -7.661 0.000 -3.712) 8.513 3.071 ( 1.948 0.000 -8.242) 8.469 3.687 ( 10.776 0.000 1.705) 10.910 3.760 ( -1.142 0.000 -3.812) 3.980 3.810 ( -10.246 0.000 2.737) 10.606 5.206 ( 7.237 0.000 11.372) 13.480 5.800 ( 1.054 0.000 2.546) 2.756 6.049 ( -16.994 0.000 12.642) 21.180 6.989 ( -10.985 0.000 5.212) 12.158 7.174 ( 8.188 0.000 -10.110) 13.010 7.419 ( -10.044 0.000 -6.341) 11.878 8.160 ( -1.213 0.000 -11.592) 11.655 8.476 ( -9.401 0.000 5.298) 10.792 8.517 ( 15.828 0.000 7.880) 17.682 9.069 ( 6.048 0.000 -1.302) 6.187 9.758 ( -7.456 0.000 -9.177) 11.824 9.830 ( -1.100 0.000 -7.912) 7.988 10.278 ( 6.718 0.000 -2.144) 7.052 10.320 ( 7.292 0.000 16.806) 18.319 11.538 ( 6.693 0.000 16.961) 18.234 11.681 ( -5.948 0.000 -16.143) 17.204 12.596 ( -4.485 0.000 4.386) 6.273 12.802 ( -10.877 0.000 8.929) 14.073 13.378 ( -0.637 0.000 -3.286) 3.347 13.903 ( 10.386 0.000 -13.892) 17.345 14.793 ( -2.014 0.000 0.790) 2.164 15.590 ( -6.566 0.000 -4.792) 8.129 16.614 ( 17.158 0.000 -12.379) 21.157 17.854 ( 30.648 0.000 3.545) 30.852 18.297 ( -6.529 0.000 0.591) 6.555 18.548 ( 6.632 0.000 -3.078) 7.311 21.547 ( 1.582 0.000 -20.413) 20.475 21.905 ( 1.701 0.000 34.513) 34.554 23.462 ( -4.115 0.000 7.339) 8.414 24.134 ( -2.019 0.000 -9.893) 10.097 ======================= Grid point 378 (190/260) ======================= q-point: (-0.10 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.436 ( -9.428 0.000 9.488) 13.376 2.570 ( 5.215 0.000 25.002) 25.540 3.053 ( 0.997 0.000 -1.853) 2.105 3.665 ( -3.791 0.000 -8.224) 9.055 3.907 ( 11.992 0.000 -3.506) 12.494 3.922 ( 10.433 0.000 1.431) 10.531 5.448 ( 15.500 0.000 16.433) 22.589 5.749 ( -11.093 0.000 12.982) 17.076 5.804 ( -0.151 0.000 4.966) 4.968 6.690 ( -17.371 0.000 5.196) 18.132 7.194 ( -11.441 0.000 -0.970) 11.482 7.320 ( 4.901 0.000 -18.292) 18.937 8.166 ( 3.590 0.000 -11.558) 12.103 8.235 ( -12.156 0.000 7.020) 14.038 8.802 ( 9.394 0.000 10.544) 14.121 9.232 ( 8.445 0.000 -4.068) 9.374 9.665 ( 0.046 0.000 -10.682) 10.682 9.704 ( -9.778 0.000 -5.161) 11.056 10.422 ( 1.380 0.000 12.823) 12.897 10.425 ( 7.347 0.000 -3.242) 8.031 11.628 ( 1.394 0.000 -7.340) 7.471 11.715 ( 8.775 0.000 6.786) 11.093 12.524 ( -2.155 0.000 3.433) 4.053 12.617 ( -6.719 0.000 6.511) 9.356 13.404 ( 3.320 0.000 -1.383) 3.596 14.000 ( -1.007 0.000 -19.091) 19.118 14.824 ( 5.337 0.000 4.913) 7.254 15.424 ( -9.076 0.000 -5.324) 10.522 17.047 ( 24.328 0.000 -11.722) 27.005 17.952 ( -27.007 0.000 0.194) 27.007 18.350 ( 16.546 0.000 -0.648) 16.559 18.637 ( 1.506 0.000 -2.768) 3.151 21.805 ( 23.716 0.000 -12.374) 26.750 21.856 ( -8.481 0.000 31.977) 33.083 23.424 ( 0.439 0.000 9.288) 9.299 24.068 ( -3.846 0.000 -11.256) 11.895 ======================= Grid point 379 (191/260) ======================= q-point: ( 0.00 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.318 ( -1.973 3.153 19.022) 19.382 2.641 ( -5.566 6.875 5.736) 10.543 3.217 ( 8.231 3.468 12.478) 15.345 3.730 ( -1.904 11.438 -13.716) 17.960 4.101 ( 3.344 2.208 -0.570) 4.048 4.260 ( 11.092 11.294 -7.745) 17.623 5.581 ( -4.679 3.195 17.761) 18.642 5.755 ( 2.525 -2.406 8.786) 9.453 6.080 ( 21.639 9.817 10.556) 26.001 6.313 ( -17.099 1.530 -2.505) 17.349 6.961 ( -7.632 0.144 4.865) 9.052 7.397 ( -1.098 3.738 -19.402) 19.789 8.003 ( -13.209 -1.095 4.308) 13.936 8.243 ( 8.300 -2.948 -3.070) 9.328 8.945 ( 1.758 1.088 4.616) 5.058 9.310 ( 8.238 -6.077 -1.942) 10.419 9.423 ( -9.818 -2.464 -1.501) 10.233 9.798 ( 1.312 3.960 -10.635) 11.424 10.371 ( -2.128 -2.407 7.768) 8.406 10.598 ( 7.342 2.069 -5.167) 9.214 11.652 ( 4.540 -3.216 3.311) 6.475 11.881 ( -0.891 5.839 -6.906) 9.087 12.484 ( -0.333 -3.335 5.605) 6.530 12.661 ( 8.599 3.771 -4.563) 10.439 13.567 ( 4.075 6.415 3.507) 8.370 14.022 ( -6.219 13.687 -17.934) 23.402 14.934 ( 8.107 -5.225 5.701) 11.203 15.198 ( -9.807 -0.784 -5.925) 11.484 17.122 ( -33.632 -11.548 9.722) 36.864 17.523 ( 19.965 -5.802 -9.914) 23.034 18.509 ( -3.213 -3.933 0.996) 5.175 18.628 ( 4.310 1.414 -4.685) 6.521 21.584 ( -16.858 -0.205 24.452) 29.701 22.283 ( 29.832 -10.986 -9.510) 33.182 23.605 ( 4.585 9.666 5.481) 12.021 23.978 ( -5.222 1.558 -11.322) 12.566 ======================= Grid point 380 (192/260) ======================= q-point: ( 0.10 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.369 ( 5.614 4.849 19.259) 20.638 2.537 ( -4.156 7.832 7.082) 11.348 3.361 ( 4.486 -0.908 8.553) 9.701 3.694 ( 0.179 12.198 -13.120) 17.915 4.113 ( -1.773 -0.029 -9.544) 9.707 4.427 ( 5.400 13.766 -15.439) 21.378 5.492 ( -5.685 0.998 19.268) 20.113 5.762 ( -0.600 -6.057 10.733) 12.339 6.015 ( -10.212 6.098 -7.519) 14.071 6.618 ( 22.097 4.859 12.708) 25.950 6.867 ( 3.155 4.116 5.626) 7.651 7.406 ( 3.632 2.704 -15.531) 16.178 7.754 ( -10.892 -6.843 1.837) 12.994 8.344 ( 0.410 3.646 5.322) 6.465 8.960 ( -0.442 -6.430 -1.566) 6.633 9.247 ( -5.003 6.955 2.672) 8.974 9.453 ( 3.459 -4.559 -1.902) 6.030 9.762 ( -4.711 -3.471 -4.530) 7.400 10.352 ( 0.419 0.590 0.684) 0.996 10.751 ( 7.594 3.264 -6.441) 10.479 11.607 ( -12.493 3.141 -3.230) 13.280 11.851 ( 3.979 1.729 -2.989) 5.268 12.573 ( 7.395 -3.389 1.428) 8.259 12.932 ( 15.722 -1.432 -11.442) 19.498 13.619 ( -0.054 3.458 3.117) 4.655 13.890 ( -4.741 15.204 -15.179) 22.001 14.969 ( -11.616 3.836 -1.391) 12.312 15.095 ( 6.399 -6.247 6.416) 11.007 16.415 ( -28.860 -9.816 16.670) 34.744 17.970 ( 18.161 -10.628 -4.161) 21.450 18.336 ( -11.634 -2.235 -1.294) 11.918 18.665 ( -0.939 2.660 -3.751) 4.693 21.201 ( -19.464 2.280 18.305) 26.816 22.838 ( 22.108 -11.784 -17.171) 30.372 23.676 ( -0.048 3.802 1.834) 4.221 23.888 ( -0.942 4.777 -7.761) 9.162 ======================= Grid point 381 (193/260) ======================= q-point: ( 0.20 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.475 ( -1.042 7.449 5.953) 9.592 2.548 ( 8.307 3.974 16.041) 18.496 3.418 ( 1.681 -2.897 -0.553) 3.395 3.730 ( 2.216 10.149 -11.114) 15.214 4.038 ( -3.421 0.134 -15.986) 16.349 4.498 ( 3.760 11.999 -21.956) 25.302 5.362 ( -7.120 -4.508 17.740) 19.640 5.694 ( -7.353 3.724 2.077) 8.499 5.932 ( 2.097 1.625 8.090) 8.514 6.796 ( 5.746 1.763 7.370) 9.510 7.252 ( 20.630 -2.607 2.690) 20.968 7.486 ( -4.160 -0.637 -2.164) 4.732 7.618 ( 6.903 -3.142 -5.501) 9.369 8.294 ( -3.971 7.702 5.299) 10.158 8.884 ( -5.560 -1.425 -0.609) 5.772 9.245 ( 2.102 1.574 -1.747) 3.155 9.396 ( -9.175 -5.254 9.784) 14.405 9.649 ( -4.403 2.024 0.151) 4.849 10.369 ( 0.302 -1.310 -5.105) 5.279 10.893 ( 5.120 6.186 -9.217) 12.224 11.289 ( -14.265 6.192 1.362) 15.610 11.976 ( 6.963 -0.360 -5.404) 8.822 12.754 ( 9.509 -1.169 -2.258) 9.843 13.208 ( 9.317 -8.099 -16.338) 20.478 13.579 ( -2.496 1.998 2.381) 3.986 13.795 ( -4.841 13.585 -12.565) 19.127 14.763 ( -6.110 7.362 6.070) 11.330 15.206 ( 3.862 -7.177 9.400) 12.441 16.012 ( -11.194 -9.187 13.866) 20.049 17.895 ( -21.576 -7.975 -2.135) 23.101 18.354 ( 9.180 -2.747 -3.822) 10.316 18.589 ( -5.774 2.311 -4.039) 7.416 20.864 ( -12.199 3.535 16.471) 20.799 23.109 ( 3.333 -6.254 -26.986) 27.901 23.638 ( 0.086 -5.851 2.151) 6.234 23.936 ( 3.752 6.519 -4.101) 8.567 ======================= Grid point 382 (194/260) ======================= q-point: ( 0.30 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.468 ( 0.342 5.501 3.949) 6.780 2.708 ( 5.526 2.684 6.414) 8.881 3.422 ( -2.941 -3.839 -4.040) 6.302 3.673 ( -7.048 7.471 -25.904) 27.865 4.085 ( 11.048 2.204 -10.250) 15.231 4.613 ( 8.677 5.811 -16.675) 19.675 5.218 ( -7.787 -5.703 13.047) 16.229 5.504 ( -10.678 5.446 3.837) 12.586 6.027 ( 5.989 1.330 13.879) 15.175 6.989 ( 10.729 1.700 3.278) 11.347 7.306 ( -7.258 -11.817 4.708) 14.646 7.603 ( 13.658 -3.351 -5.969) 15.277 7.845 ( 6.110 -0.643 -1.952) 6.446 8.262 ( 3.465 9.391 -2.365) 10.285 8.791 ( -2.901 6.359 -6.159) 9.316 9.036 ( -18.603 -11.294 12.149) 24.924 9.368 ( 3.646 2.082 10.376) 11.194 9.572 ( -3.036 10.782 5.941) 12.680 10.322 ( -5.006 -6.326 -8.051) 11.397 10.837 ( -8.667 12.552 -11.718) 19.235 11.184 ( 3.259 5.101 10.674) 12.271 12.113 ( 6.168 -1.595 -11.354) 13.019 12.948 ( 8.840 -0.518 -4.359) 9.870 13.253 ( -3.085 -9.259 -8.662) 13.049 13.567 ( 0.555 -0.116 -0.464) 0.733 13.670 ( -5.821 11.821 -8.787) 15.837 14.767 ( 5.747 5.034 3.742) 8.507 15.270 ( 1.896 -7.040 12.093) 14.122 15.907 ( -0.850 -7.591 8.612) 11.511 17.367 ( -27.191 -3.421 -6.432) 28.151 18.380 ( -7.320 -1.381 -3.196) 8.106 18.493 ( -1.957 2.527 -6.064) 6.855 20.752 ( 0.780 1.766 19.574) 19.669 22.985 ( -11.038 -2.315 -29.149) 31.255 23.710 ( 4.734 -9.253 3.214) 10.880 23.998 ( 2.267 4.161 -5.847) 7.525 ======================= Grid point 383 (195/260) ======================= q-point: ( 0.40 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.490 ( 1.473 3.452 1.151) 3.926 2.785 ( 2.224 2.796 -2.991) 4.659 3.250 ( -12.685 -2.195 -5.605) 14.041 3.494 ( -7.074 5.978 -30.050) 31.444 4.451 ( 22.272 0.293 -7.513) 23.507 4.815 ( 10.169 0.740 -6.792) 12.251 5.034 ( -10.748 -4.367 9.210) 14.813 5.245 ( -14.670 2.609 6.219) 16.146 6.214 ( 11.886 2.516 12.051) 17.112 7.001 ( -8.250 -4.746 1.078) 9.578 7.401 ( 13.534 -5.873 2.287) 14.929 7.790 ( -8.247 3.447 0.938) 8.988 7.863 ( 11.216 -3.996 -0.988) 11.947 8.432 ( 10.385 -0.096 -10.264) 14.602 8.616 ( -17.212 -8.093 9.916) 21.450 8.735 ( -7.410 5.672 -10.468) 14.024 9.476 ( 6.723 12.995 24.257) 28.327 9.570 ( 3.444 7.330 5.000) 9.518 10.159 ( -9.367 -7.709 -6.984) 13.998 10.667 ( -6.720 13.988 -11.775) 19.480 11.278 ( 3.671 5.464 14.857) 16.250 12.204 ( 2.831 -3.813 -17.561) 18.192 13.090 ( 3.349 -4.322 -3.747) 6.629 13.173 ( -1.740 -4.726 -0.376) 5.050 13.517 ( -5.700 9.210 -1.754) 10.972 13.597 ( -0.746 1.114 -5.081) 5.255 14.954 ( 10.276 -4.135 3.496) 11.616 15.303 ( 1.307 -3.026 8.669) 9.275 15.949 ( 4.399 -5.050 5.431) 8.622 16.822 ( -23.236 1.278 -10.652) 25.593 18.213 ( -6.669 0.214 -2.178) 7.019 18.407 ( -5.526 4.081 -8.003) 10.547 20.892 ( 10.450 -1.687 24.178) 26.394 22.689 ( -15.167 -2.848 -29.593) 33.375 23.786 ( 1.825 -6.598 4.868) 8.400 24.032 ( 1.794 1.013 -8.559) 8.803 ======================= Grid point 384 (196/260) ======================= q-point: (-0.50 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.520 ( 0.599 2.877 1.949) 3.526 2.805 ( -0.407 3.583 -8.759) 9.473 2.958 ( -12.189 0.923 -5.948) 13.594 3.379 ( -2.317 4.234 -23.035) 23.535 4.736 ( -13.058 -4.463 5.765) 14.956 4.854 ( -11.256 -5.203 6.535) 14.017 4.976 ( 11.944 2.229 -3.769) 12.721 5.033 ( 8.974 3.899 -1.211) 9.859 6.533 ( 17.460 1.813 7.499) 19.089 6.821 ( -8.115 -5.728 -1.956) 10.124 7.490 ( -12.308 0.755 7.666) 14.520 7.711 ( 6.636 -3.318 -1.538) 7.577 8.077 ( 9.019 -2.890 3.129) 9.974 8.294 ( -11.494 -1.396 10.821) 15.848 8.479 ( -11.565 -0.341 -14.460) 18.519 8.728 ( 13.436 -1.183 -7.822) 15.592 9.620 ( 5.262 11.088 9.680) 15.631 9.752 ( 11.140 9.620 17.800) 23.097 9.972 ( -6.295 -5.635 -6.883) 10.897 10.522 ( -7.085 13.576 -14.655) 21.196 11.338 ( 1.422 4.413 20.061) 20.590 12.194 ( -3.023 -5.582 -21.655) 22.566 13.055 ( -3.906 -4.892 3.502) 7.173 13.216 ( 2.403 -1.422 -4.144) 4.996 13.389 ( -5.213 5.969 4.398) 9.064 13.580 ( -1.044 2.689 -5.151) 5.903 15.067 ( -1.894 -11.773 11.600) 16.636 15.411 ( 9.878 -1.256 -4.422) 10.895 16.114 ( 12.073 1.742 4.467) 12.990 16.438 ( -12.321 3.259 -12.265) 17.687 18.139 ( -0.068 1.278 -0.394) 1.340 18.298 ( -3.511 3.606 -8.017) 9.466 21.168 ( 13.868 -4.380 28.130) 31.667 22.339 ( -16.628 -3.440 -30.706) 35.088 23.781 ( -2.466 -2.192 5.755) 6.633 24.075 ( 2.684 -2.101 -9.455) 10.051 ======================= Grid point 385 (197/260) ======================= q-point: (-0.40 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.451 ( -7.329 8.198 14.960) 18.567 2.762 ( 0.714 0.673 -9.572) 9.623 2.865 ( 0.793 3.054 -11.477) 11.903 3.379 ( 3.146 2.472 -12.106) 12.750 4.380 ( -18.994 0.619 0.046) 19.004 4.497 ( -17.860 -2.239 11.724) 21.481 5.102 ( 2.992 3.004 3.152) 5.283 5.428 ( 19.266 1.193 -5.356) 20.032 6.634 ( -9.107 -4.197 -1.070) 10.084 6.912 ( 15.170 0.434 2.520) 15.384 7.197 ( -13.251 -1.336 6.837) 14.971 7.791 ( 0.704 -2.813 3.319) 4.407 8.060 ( -10.571 0.139 -0.663) 10.593 8.222 ( 1.347 -2.590 -0.791) 3.025 8.372 ( 5.964 0.185 -4.141) 7.264 9.009 ( 11.340 -0.192 -0.541) 11.355 9.663 ( -2.969 0.245 2.141) 3.669 9.846 ( 4.307 -2.222 4.965) 6.938 10.089 ( 11.536 12.328 4.862) 17.570 10.351 ( -8.236 12.461 -12.991) 19.796 11.369 ( 0.729 1.923 21.649) 21.746 12.061 ( -8.107 -4.388 -20.722) 22.680 12.935 ( -7.949 2.125 4.291) 9.280 13.166 ( -6.415 -2.887 0.312) 7.042 13.422 ( 8.053 0.444 2.226) 8.367 13.540 ( -2.563 4.474 -3.910) 6.470 14.974 ( -5.303 -3.884 4.405) 7.912 15.594 ( 5.656 -8.504 -3.963) 10.955 16.257 ( -1.559 -0.337 -10.062) 10.187 16.535 ( 25.174 6.912 3.041) 26.282 18.195 ( 4.603 1.136 1.321) 4.922 18.281 ( 2.436 1.227 -5.978) 6.571 21.464 ( 12.290 -6.142 30.798) 33.724 21.982 ( -15.558 -2.826 -30.027) 33.936 23.706 ( -4.553 1.087 4.844) 6.737 24.123 ( 2.104 -2.672 -8.736) 9.375 ======================= Grid point 386 (198/260) ======================= q-point: (-0.30 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.362 ( -0.393 11.815 27.348) 29.794 2.782 ( -0.795 4.597 -11.117) 12.057 2.921 ( 5.041 -2.329 -6.488) 8.540 3.490 ( 7.479 0.623 -2.900) 8.046 4.012 ( -14.409 4.060 -2.427) 15.165 4.163 ( -14.026 4.618 7.494) 16.559 5.157 ( 2.925 4.791 6.930) 8.918 5.740 ( 10.125 2.885 -2.823) 10.900 6.392 ( -14.330 -0.579 4.798) 15.122 7.018 ( -3.038 -6.082 -1.178) 6.900 7.095 ( 1.266 0.074 5.896) 6.030 7.686 ( -9.577 4.660 -7.449) 12.997 8.074 ( 12.307 -4.497 5.288) 14.130 8.190 ( -2.805 -8.020 -9.735) 12.921 8.552 ( 7.334 3.149 1.012) 8.046 9.114 ( -1.429 6.335 9.376) 11.406 9.639 ( 2.699 -7.789 -7.046) 10.844 9.967 ( 2.817 -1.711 -2.939) 4.416 10.159 ( -2.794 9.682 -3.745) 10.751 10.321 ( 6.023 10.629 7.523) 14.348 11.402 ( 1.676 -1.330 18.308) 18.433 11.874 ( -7.926 -0.083 -15.856) 17.726 12.760 ( -8.134 3.812 3.629) 9.688 13.002 ( -9.194 -2.713 5.912) 11.262 13.480 ( -2.518 5.451 -2.141) 6.374 13.659 ( 13.715 0.962 -6.105) 15.043 14.881 ( -3.954 0.954 0.567) 4.107 15.625 ( -1.891 -7.099 -4.342) 8.534 16.310 ( 7.451 -3.783 -11.649) 14.336 17.172 ( 33.734 3.295 4.073) 34.138 18.299 ( 4.379 0.002 2.555) 5.070 18.368 ( 4.974 -2.293 -3.933) 6.744 21.605 ( -6.060 -7.515 -7.698) 12.347 21.772 ( 2.921 -0.832 14.903) 15.209 23.612 ( -4.413 3.950 4.054) 7.177 24.146 ( 0.495 -1.598 -8.639) 8.800 ======================= Grid point 387 (199/260) ======================= q-point: (-0.20 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.447 ( 4.347 7.442 26.479) 27.846 2.712 ( -3.845 8.412 2.635) 9.617 3.009 ( 2.384 -4.130 -2.996) 5.631 3.664 ( 8.384 -1.157 0.701) 8.493 3.858 ( 0.922 8.731 -4.394) 9.817 3.953 ( -5.413 12.697 0.591) 13.815 5.261 ( 7.208 5.508 10.349) 13.762 5.852 ( 1.762 4.906 0.984) 5.304 6.066 ( -16.260 1.749 11.097) 19.763 6.964 ( -8.699 -2.646 2.930) 9.553 7.090 ( 3.210 -5.740 -3.045) 7.248 7.506 ( -6.394 6.468 -8.763) 12.630 8.091 ( -3.328 -7.171 -12.715) 14.972 8.443 ( 18.203 -6.340 -1.282) 19.318 8.558 ( -7.557 5.427 10.294) 13.876 9.097 ( 2.015 4.948 3.493) 6.383 9.712 ( 3.077 -5.089 -6.577) 8.867 9.850 ( -9.271 2.101 -10.131) 13.893 10.264 ( 8.486 0.273 5.117) 9.913 10.405 ( 1.654 6.297 8.741) 10.900 11.463 ( 3.455 -4.441 9.408) 10.962 11.756 ( -1.935 5.026 -6.373) 8.344 12.621 ( -5.240 2.240 2.252) 6.128 12.807 ( -9.485 0.261 6.794) 11.670 13.448 ( -0.109 6.718 -0.433) 6.733 13.943 ( 12.704 3.873 -13.981) 19.284 14.803 ( -3.298 1.089 2.789) 4.455 15.537 ( -5.884 -5.344 -5.276) 9.540 16.554 ( 16.465 -5.627 -12.533) 21.444 17.861 ( 30.258 0.063 0.591) 30.264 18.284 ( -8.326 -1.730 -0.734) 8.536 18.478 ( 5.563 -6.263 -0.441) 8.388 21.490 ( 1.031 -4.621 -14.987) 15.717 21.876 ( 1.879 -2.842 32.746) 32.923 23.540 ( -2.331 6.990 3.957) 8.364 24.132 ( -1.388 -0.160 -9.398) 9.501 ======================= Grid point 388 (200/260) ======================= q-point: (-0.10 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.414 ( -6.663 0.732 14.964) 16.397 2.712 ( -0.138 8.997 12.557) 15.448 3.056 ( 4.769 2.424 6.355) 8.307 3.759 ( 0.242 5.977 -7.276) 9.419 3.983 ( 6.668 7.948 3.361) 10.906 4.008 ( 11.867 10.497 -6.365) 17.075 5.487 ( 13.593 4.449 14.751) 20.546 5.770 ( -10.616 2.020 12.037) 16.176 5.880 ( 1.297 7.193 3.735) 8.208 6.683 ( -17.027 -0.281 5.427) 17.873 7.099 ( -4.106 -6.175 -4.163) 8.504 7.432 ( -1.032 7.755 -14.586) 16.552 8.088 ( 4.695 -7.578 -10.872) 14.060 8.295 ( -14.652 4.632 7.973) 17.312 8.800 ( 13.098 -2.270 2.952) 13.617 9.171 ( 4.435 -1.869 -0.035) 4.812 9.638 ( -10.142 -4.495 -4.085) 11.821 9.760 ( 2.081 5.624 -9.871) 11.549 10.401 ( 0.061 -2.073 12.911) 13.076 10.449 ( 6.567 2.262 -3.540) 7.796 11.549 ( 4.559 -4.424 1.765) 6.594 11.801 ( 5.558 5.680 0.505) 7.963 12.543 ( -2.784 1.778 2.557) 4.177 12.633 ( -6.103 1.479 2.783) 6.869 13.482 ( 3.244 7.459 1.765) 8.323 14.099 ( 1.757 9.789 -19.612) 21.990 14.794 ( 3.452 -2.759 6.616) 7.956 15.387 ( -8.056 -3.654 -6.022) 10.701 16.965 ( 22.708 -8.109 -10.560) 26.323 17.900 ( -27.834 -5.971 -2.325) 28.562 18.362 ( 16.693 1.212 -2.120) 16.870 18.569 ( 2.660 -6.122 -0.141) 6.676 21.712 ( 19.554 -7.274 -4.307) 21.303 21.842 ( -6.010 -1.779 27.836) 28.533 23.532 ( 1.588 9.477 4.944) 10.807 24.077 ( -3.467 0.878 -10.614) 11.201 ======================= Grid point 389 (201/260) ======================= q-point: ( 0.00 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.423 ( 0.306 6.791 16.095) 17.472 2.732 ( -3.571 2.040 -0.769) 4.184 3.341 ( 5.324 7.942 19.120) 21.377 3.934 ( 1.028 7.417 -10.110) 12.581 4.232 ( -1.416 11.800 4.109) 12.575 4.565 ( 12.163 19.259 -10.281) 24.991 5.657 ( -4.695 3.392 15.030) 16.108 5.775 ( -3.860 5.465 9.609) 11.709 6.238 ( 9.089 5.126 8.566) 13.500 6.410 ( -2.387 8.569 -5.554) 10.487 6.972 ( -1.989 1.365 3.412) 4.178 7.459 ( -4.313 1.193 -20.838) 21.313 7.964 ( -18.085 -2.513 7.447) 19.719 8.172 ( 14.618 -3.579 -1.470) 15.122 8.893 ( 0.766 -7.271 -1.048) 7.386 9.148 ( 1.740 -10.076 -15.766) 18.791 9.484 ( -0.569 9.382 13.132) 16.149 9.858 ( -5.334 2.004 -5.311) 7.790 10.321 ( 0.608 -2.306 8.182) 8.523 10.632 ( 8.212 0.775 -7.374) 11.064 11.614 ( 5.470 -0.497 8.460) 10.086 12.005 ( 1.219 6.597 -7.992) 10.434 12.441 ( -4.591 -0.946 5.750) 7.418 12.722 ( 7.281 2.407 -10.186) 12.750 13.731 ( 2.015 9.630 10.013) 14.037 14.370 ( -4.715 20.614 -17.859) 27.679 14.796 ( 6.324 -8.438 7.584) 12.989 15.182 ( -4.858 -0.594 -8.614) 9.907 16.816 ( -27.390 -18.848 12.359) 35.471 17.338 ( 11.380 -12.872 -13.338) 21.751 18.444 ( -3.658 -2.450 2.928) 5.287 18.645 ( 7.226 0.431 -6.941) 10.029 21.585 ( -13.347 0.375 21.695) 25.475 22.068 ( 25.329 -9.661 -0.842) 27.122 23.797 ( 2.531 8.912 -0.579) 9.283 24.014 ( -4.224 1.888 -9.397) 10.474 ======================= Grid point 390 (202/260) ======================= q-point: ( 0.10 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.493 ( 5.175 6.748 14.033) 16.409 2.670 ( -2.085 5.035 1.228) 5.586 3.420 ( 1.380 6.433 15.594) 16.925 3.922 ( -0.815 8.705 -13.078) 15.731 4.171 ( -3.731 7.200 -1.645) 8.274 4.746 ( 4.600 17.632 -15.687) 24.044 5.517 ( -12.999 2.020 20.473) 24.335 5.676 ( 0.737 -2.201 8.412) 8.726 6.171 ( -5.461 9.340 -6.736) 12.745 6.690 ( 10.951 1.791 10.617) 15.358 6.983 ( 6.266 7.327 3.586) 10.286 7.437 ( 3.958 -2.120 -17.407) 17.977 7.642 ( -11.344 -1.477 1.102) 11.492 8.405 ( 4.386 1.966 2.478) 5.408 8.811 ( -0.445 -8.242 -0.176) 8.256 9.254 ( 1.657 -8.146 -8.242) 11.706 9.494 ( 0.461 10.576 11.353) 15.523 9.687 ( -7.666 -3.373 -2.501) 8.741 10.361 ( 1.804 0.076 2.504) 3.087 10.815 ( 9.579 2.567 -10.075) 14.137 11.680 ( -3.340 3.829 4.508) 6.792 11.917 ( -3.439 5.344 -8.199) 10.373 12.505 ( 8.799 -3.019 1.544) 9.429 12.903 ( 9.506 -1.643 -13.066) 16.241 13.728 ( -3.103 6.908 9.060) 11.808 14.232 ( -6.697 18.625 -14.981) 24.822 14.926 ( 4.867 -10.522 6.833) 13.457 15.080 ( -4.864 7.364 -4.642) 9.972 16.161 ( -28.100 -15.222 18.845) 37.101 17.667 ( 12.775 -19.077 -4.773) 23.450 18.322 ( -6.392 0.339 -1.048) 6.486 18.701 ( -0.887 0.950 -6.674) 6.800 21.270 ( -16.434 4.730 15.722) 23.230 22.584 ( 22.513 -12.985 -7.730) 27.114 23.744 ( -7.670 2.940 -5.093) 9.665 23.989 ( 2.275 4.923 -4.059) 6.775 ======================= Grid point 391 (203/260) ======================= q-point: ( 0.20 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.607 ( 2.604 2.226 7.273) 8.039 2.662 ( 2.804 9.779 5.502) 11.566 3.426 ( -0.929 3.983 10.414) 11.188 3.909 ( -0.317 6.692 -15.959) 17.308 4.094 ( -2.466 6.025 -6.584) 9.259 4.735 ( -3.028 10.556 -23.450) 25.894 5.280 ( -9.705 -3.006 19.346) 21.851 5.709 ( -1.557 -1.790 8.988) 9.296 6.069 ( -2.419 11.401 0.077) 11.655 6.808 ( 5.483 -1.291 9.103) 10.705 7.154 ( 3.558 -4.015 4.502) 7.003 7.431 ( -0.388 -4.750 -9.587) 10.707 7.697 ( 12.727 9.023 -7.588) 17.348 8.374 ( -3.596 -0.694 -4.131) 5.520 8.909 ( 5.738 4.362 7.091) 10.111 9.145 ( -10.993 -8.413 5.750) 14.990 9.403 ( -5.575 1.567 4.257) 7.188 9.693 ( 4.598 4.498 -1.028) 6.514 10.368 ( -1.638 0.801 0.402) 1.867 11.005 ( 8.483 4.623 -12.454) 15.762 11.459 ( -12.776 10.718 1.415) 16.736 11.973 ( 5.530 0.270 -3.773) 6.699 12.723 ( 11.145 -1.987 -4.517) 12.189 13.057 ( 4.913 -7.252 -13.885) 16.417 13.630 ( -5.535 3.099 6.930) 9.395 14.075 ( -7.938 14.205 -14.255) 21.633 14.936 ( -4.764 2.179 6.750) 8.545 15.042 ( 2.897 -1.346 9.802) 10.309 15.785 ( -9.121 -12.930 14.303) 21.330 17.664 ( -13.207 -14.923 -2.075) 20.035 18.307 ( 4.764 -2.142 -4.048) 6.608 18.626 ( -5.099 1.406 -6.512) 8.389 20.970 ( -12.056 7.160 14.512) 20.179 22.932 ( 9.908 -10.978 -19.771) 24.690 23.561 ( -7.448 -2.407 -0.582) 7.848 24.039 ( 1.898 4.045 -3.065) 5.418 ======================= Grid point 392 (204/260) ======================= q-point: ( 0.30 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.610 ( -0.839 7.506 5.894) 9.581 2.761 ( 4.537 3.263 0.824) 5.649 3.386 ( -4.240 0.379 4.352) 6.088 3.815 ( -7.807 6.925 -23.452) 25.669 4.152 ( 9.216 3.877 -6.371) 11.856 4.692 ( 1.436 1.068 -18.674) 18.759 5.112 ( -7.927 -4.812 13.172) 16.109 5.556 ( -12.150 -1.472 8.262) 14.766 6.112 ( 5.481 7.435 5.844) 10.930 7.014 ( 13.430 -2.193 5.729) 14.765 7.076 ( -7.926 -4.595 7.055) 11.563 7.568 ( 10.948 -2.332 -12.037) 16.437 7.898 ( 4.974 5.311 -3.184) 7.942 8.336 ( 1.024 -0.180 -9.219) 9.277 8.776 ( -17.294 -10.422 7.768) 21.634 9.016 ( -3.926 9.676 -0.432) 10.451 9.415 ( 7.838 2.914 13.733) 16.078 9.771 ( 2.691 9.659 2.527) 10.340 10.283 ( -6.447 2.095 0.270) 6.784 11.067 ( -4.005 10.260 -12.020) 16.304 11.319 ( 1.583 8.584 6.099) 10.648 12.075 ( 3.978 -2.006 -8.543) 9.636 12.923 ( 6.825 -3.001 -6.701) 10.025 13.081 ( -0.641 -7.610 -6.158) 9.811 13.558 ( -0.954 -0.604 2.313) 2.574 13.897 ( -8.246 10.711 -8.569) 16.004 14.858 ( -2.808 -0.381 9.788) 10.190 15.135 ( 5.363 -1.739 8.875) 10.514 15.727 ( 1.591 -9.730 7.697) 12.508 17.272 ( -21.251 -5.986 -6.235) 22.941 18.333 ( -4.098 -3.442 -3.211) 6.241 18.550 ( -1.124 2.994 -6.990) 7.687 20.816 ( -3.191 4.772 18.248) 19.130 22.910 ( -9.645 -5.325 -30.670) 32.588 23.527 ( 3.665 -8.890 7.046) 11.921 24.056 ( -0.043 1.961 -4.500) 4.909 ======================= Grid point 393 (205/260) ======================= q-point: ( 0.40 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.598 ( -0.320 7.392 4.760) 8.798 2.841 ( 3.380 2.624 -4.830) 6.453 3.232 ( -10.365 0.483 -0.464) 10.387 3.619 ( -8.651 6.530 -25.393) 27.609 4.426 ( 15.106 -3.855 -4.157) 16.134 4.772 ( 5.151 -5.870 -8.009) 11.186 4.955 ( -6.444 -3.229 6.563) 9.748 5.271 ( -14.308 -0.572 4.852) 15.119 6.291 ( 11.562 4.734 5.999) 13.859 6.878 ( -10.301 -5.264 6.213) 13.131 7.339 ( 15.224 -0.135 2.617) 15.448 7.801 ( 10.997 -3.066 -5.651) 12.739 7.876 ( -7.046 5.122 -0.201) 8.713 8.381 ( -2.815 -4.195 -0.735) 5.105 8.471 ( -3.607 -5.715 2.251) 7.124 8.829 ( -12.388 2.711 -12.396) 17.733 9.661 ( 10.646 7.816 13.284) 18.732 9.842 ( 6.363 14.970 6.364) 17.467 10.118 ( -8.842 5.253 4.514) 11.232 10.936 ( -6.512 13.252 -7.227) 16.439 11.402 ( 3.595 6.524 6.446) 9.852 12.116 ( 0.332 -4.599 -14.308) 15.033 12.942 ( -2.053 -9.636 0.795) 9.884 13.121 ( 3.280 -1.759 -2.050) 4.249 13.583 ( 2.630 -0.338 -2.001) 3.322 13.721 ( -8.735 8.624 -2.154) 12.462 14.822 ( -1.261 -9.248 11.971) 15.180 15.251 ( 4.653 -1.741 -2.389) 5.512 15.849 ( 10.430 -4.231 6.184) 12.843 16.845 ( -18.428 0.906 -10.121) 21.044 18.220 ( -4.460 0.506 -1.380) 4.696 18.500 ( -4.206 4.820 -8.446) 10.595 20.857 ( 5.720 -1.483 24.278) 24.986 22.610 ( -15.956 -5.084 -30.632) 34.911 23.636 ( 5.202 -8.197 6.191) 11.514 24.039 ( -1.072 -0.290 -6.936) 7.024 ======================= Grid point 394 (206/260) ======================= q-point: (-0.50 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.609 ( 1.242 6.333 4.943) 8.128 2.905 ( 3.135 5.306 -7.686) 9.852 2.988 ( -11.921 3.006 -0.962) 12.331 3.462 ( -4.806 3.474 -20.064) 20.922 4.582 ( -4.757 -11.251 7.231) 14.196 4.707 ( -10.606 -9.328 2.509) 14.346 5.033 ( 8.663 3.083 -4.731) 10.341 5.110 ( 7.003 2.687 -4.892) 8.955 6.588 ( 15.362 3.475 4.073) 16.268 6.677 ( -7.970 -7.303 2.436) 11.082 7.524 ( -8.450 2.652 7.498) 11.605 7.643 ( -2.568 -3.354 2.219) 4.771 8.046 ( 11.313 -0.282 1.992) 11.490 8.285 ( -1.439 0.801 6.169) 6.385 8.436 ( -13.093 -3.621 -14.928) 20.184 8.700 ( 8.803 -1.564 -9.817) 13.278 9.777 ( 2.826 6.975 4.068) 8.555 9.910 ( -8.319 1.203 2.724) 8.836 10.120 ( 13.768 22.198 16.330) 30.806 10.788 ( -7.753 12.947 -9.209) 17.678 11.445 ( 0.118 5.976 12.071) 13.470 12.071 ( -3.647 -6.359 -17.336) 18.822 12.927 ( 0.420 -7.456 6.705) 10.036 13.169 ( 1.510 -3.607 -3.678) 5.368 13.524 ( -9.568 6.606 3.448) 12.128 13.631 ( 1.375 2.254 -1.760) 3.173 14.823 ( 0.853 -12.019 12.931) 17.675 15.320 ( 2.900 -7.397 -9.605) 12.465 16.172 ( 19.427 3.818 3.369) 20.083 16.517 ( -12.017 4.494 -13.111) 18.344 18.182 ( 0.796 3.055 1.175) 3.368 18.385 ( -5.348 4.880 -8.277) 10.997 21.051 ( 10.692 -7.227 29.651) 32.337 22.252 ( -16.381 -5.138 -29.922) 34.497 23.722 ( 2.325 -3.559 5.721) 7.128 24.021 ( 0.290 -3.138 -9.268) 9.789 ======================= Grid point 395 (207/260) ======================= q-point: (-0.40 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.642 ( 0.040 10.186 14.935) 18.078 2.793 ( -4.225 1.622 -3.863) 5.951 2.962 ( 2.211 8.116 -8.662) 12.074 3.408 ( 0.596 -0.513 -8.484) 8.520 4.382 ( -12.673 -1.284 0.457) 12.747 4.426 ( -12.253 -4.194 6.287) 14.396 5.167 ( 6.007 2.921 -3.786) 7.678 5.453 ( 18.847 0.857 -5.126) 19.550 6.518 ( -6.462 -6.866 -0.024) 9.429 6.916 ( 12.095 -0.221 2.404) 12.334 7.190 ( -15.240 1.138 9.018) 17.744 7.702 ( 3.505 -7.125 5.340) 9.570 8.056 ( -16.238 -0.334 -13.787) 21.304 8.194 ( 0.973 1.852 -0.905) 2.280 8.415 ( 9.814 3.670 5.745) 11.949 8.957 ( 13.763 -5.055 -9.079) 17.245 9.717 ( -8.707 4.834 6.849) 12.087 9.862 ( 4.250 3.785 3.446) 6.653 10.396 ( 10.656 17.576 11.001) 23.313 10.589 ( -10.856 11.322 -10.721) 18.999 11.432 ( -1.701 4.593 15.090) 15.865 11.965 ( -5.146 -4.988 -14.603) 16.267 12.929 ( -1.573 -2.870 7.140) 7.854 13.117 ( -8.353 -2.676 -5.399) 10.299 13.446 ( 5.248 2.073 4.432) 7.175 13.632 ( -0.930 4.487 -0.429) 4.603 14.864 ( 1.964 -6.904 10.124) 12.410 15.381 ( 3.284 -12.493 -8.119) 15.257 16.303 ( -5.181 4.873 -14.026) 15.727 16.666 ( 24.993 5.962 -1.720) 25.752 18.227 ( 2.241 1.992 2.187) 3.712 18.314 ( -0.253 2.017 -4.815) 5.227 21.295 ( 10.246 -10.494 32.092) 35.285 21.921 ( -13.195 -3.037 -26.060) 29.367 23.732 ( -1.212 1.490 2.411) 3.082 24.051 ( 2.732 -4.442 -8.450) 9.930 ======================= Grid point 396 (208/260) ======================= q-point: (-0.30 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.608 ( -2.022 10.334 19.155) 21.859 2.837 ( 5.421 1.003 -3.283) 6.416 2.961 ( -2.029 7.147 2.273) 7.770 3.491 ( 7.538 0.326 1.062) 7.619 4.137 ( -8.240 8.081 -6.049) 13.031 4.256 ( -4.993 4.195 1.720) 6.744 5.278 ( 5.216 6.808 1.977) 8.802 5.797 ( 13.092 2.088 -4.899) 14.133 6.366 ( -9.265 -2.054 2.411) 9.792 6.896 ( -6.364 -5.397 3.912) 9.216 7.108 ( -0.245 0.989 7.758) 7.824 7.757 ( -8.921 -4.679 -17.503) 20.195 7.842 ( 7.125 -8.836 -0.172) 11.352 8.159 ( -1.638 3.475 -1.620) 4.169 8.622 ( 7.475 3.683 7.401) 11.145 9.206 ( 8.932 -0.106 -2.461) 9.266 9.565 ( -4.564 2.246 5.269) 7.324 9.962 ( 3.802 1.765 -2.466) 4.863 10.344 ( -10.826 7.451 -6.391) 14.614 10.546 ( 2.934 12.193 9.379) 15.660 11.408 ( -0.888 2.555 12.837) 13.119 11.870 ( -2.881 -0.180 -7.939) 8.447 12.832 ( -8.385 2.870 1.907) 9.065 12.931 ( -6.716 -4.497 1.659) 8.252 13.601 ( -0.103 6.054 3.576) 7.032 13.691 ( 14.682 2.457 -6.832) 16.379 14.889 ( -0.468 -0.497 7.364) 7.396 15.425 ( 0.730 -12.787 -5.869) 14.088 16.271 ( 3.417 1.065 -15.333) 15.745 17.227 ( 28.470 1.742 -3.547) 28.743 18.276 ( 3.071 -3.119 1.380) 4.589 18.330 ( -0.370 -0.643 -0.382) 0.834 21.440 ( 0.370 -8.564 12.386) 15.063 21.743 ( -1.069 -1.785 1.961) 2.859 23.700 ( -1.410 4.499 -1.155) 4.854 24.105 ( 2.399 -2.435 -7.298) 8.059 ======================= Grid point 397 (209/260) ======================= q-point: (-0.20 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.570 ( -3.901 3.651 13.198) 14.239 2.855 ( -2.535 3.316 -0.207) 4.179 3.019 ( 7.018 6.420 20.543) 22.638 3.690 ( 10.204 5.582 1.545) 11.733 4.077 ( 3.009 12.254 -4.897) 13.535 4.218 ( 1.398 13.423 -5.712) 14.655 5.413 ( 8.161 9.593 6.702) 14.267 5.959 ( 2.654 4.966 -2.773) 6.277 6.126 ( -12.541 4.708 8.858) 16.060 6.876 ( 1.673 -6.024 -2.760) 6.834 7.014 ( -7.387 -2.275 7.963) 11.097 7.622 ( -2.751 4.553 -10.601) 11.861 7.876 ( -3.431 -13.990 -14.419) 20.381 8.305 ( 15.143 -5.440 -1.272) 16.141 8.645 ( -7.195 2.697 11.673) 13.975 9.288 ( 0.974 12.698 2.790) 13.037 9.589 ( 3.887 -6.019 -3.248) 7.867 9.896 ( -8.243 2.547 -11.768) 14.592 10.270 ( 3.863 -0.406 6.287) 7.391 10.538 ( -3.295 6.736 7.388) 10.526 11.423 ( 1.973 0.793 9.136) 9.380 11.849 ( 1.226 4.587 -1.414) 4.954 12.667 ( -6.020 2.046 -1.976) 6.658 12.802 ( -6.741 -0.913 3.018) 7.442 13.609 ( 1.315 8.797 5.202) 10.304 14.034 ( 17.216 4.675 -13.622) 22.446 14.842 ( -4.312 2.937 7.220) 8.907 15.393 ( -3.390 -8.953 -6.513) 11.579 16.433 ( 12.565 -5.387 -13.665) 19.330 17.797 ( 22.813 -8.912 -8.427) 25.901 18.216 ( -8.179 -3.846 -0.726) 9.068 18.376 ( 4.629 -2.938 4.895) 7.350 21.418 ( 1.697 -1.842 -3.656) 4.431 21.801 ( 2.197 -4.509 27.717) 28.167 23.688 ( 0.612 7.132 -2.610) 7.620 24.130 ( 0.213 0.028 -7.592) 7.595 ======================= Grid point 398 (210/260) ======================= q-point: (-0.10 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.468 ( -4.990 3.861 14.267) 15.600 2.804 ( -2.962 0.949 0.142) 3.114 3.189 ( 7.710 8.967 22.118) 25.081 3.867 ( 6.082 7.095 -3.648) 10.031 4.195 ( 4.984 12.112 4.842) 13.963 4.321 ( 9.750 19.359 -11.882) 24.718 5.633 ( 11.418 10.291 9.953) 18.313 5.828 ( -10.344 4.179 11.890) 16.304 6.052 ( 3.454 9.395 -0.059) 10.010 6.690 ( -15.985 0.838 5.427) 16.902 6.991 ( 0.886 -4.757 -3.673) 6.074 7.573 ( -3.938 5.629 -15.035) 16.530 7.889 ( 8.528 -11.518 -8.343) 16.583 8.365 ( -18.220 1.785 10.838) 21.275 8.653 ( 16.694 -11.105 -4.469) 20.542 9.272 ( -4.881 9.413 -5.572) 11.978 9.528 ( -5.855 -4.681 2.553) 7.919 9.864 ( 3.689 4.681 -7.425) 9.521 10.342 ( -0.759 -3.814 12.371) 12.967 10.501 ( 2.932 2.490 -2.578) 4.630 11.499 ( 4.721 -0.447 7.980) 9.283 11.916 ( 4.879 5.999 -0.170) 7.734 12.581 ( -4.580 1.836 1.735) 5.230 12.665 ( -3.637 1.539 -4.806) 6.220 13.663 ( 3.302 10.155 8.174) 13.448 14.336 ( 10.593 11.795 -20.735) 26.101 14.748 ( -3.416 -0.060 10.582) 11.120 15.294 ( -5.261 -5.346 -7.887) 10.884 16.754 ( 17.507 -12.451 -8.123) 22.968 17.681 ( -26.024 -16.966 -8.313) 32.159 18.389 ( 17.275 0.913 -4.440) 17.859 18.456 ( 2.081 -3.735 5.039) 6.608 21.594 ( 15.022 -3.783 3.138) 15.805 21.793 ( -4.305 -2.918 25.141) 25.673 23.727 ( 3.138 9.153 -1.730) 9.829 24.100 ( -2.756 1.416 -8.746) 9.279 ======================= Grid point 399 (211/260) ======================= q-point: ( 0.00 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.553 ( 2.080 5.945 12.033) 13.582 2.739 ( -2.065 -0.821 1.495) 2.678 3.476 ( 5.285 5.265 19.265) 20.659 4.043 ( -1.702 4.647 -5.325) 7.270 4.493 ( -0.498 12.601 6.065) 13.994 4.963 ( 10.753 19.606 -14.654) 26.735 5.706 ( -8.079 2.214 15.888) 17.961 5.955 ( -9.695 11.408 10.343) 18.197 6.312 ( 1.374 3.272 5.123) 6.232 6.565 ( 7.557 5.192 -8.139) 12.260 7.024 ( 4.353 3.943 -0.020) 5.874 7.398 ( -6.137 -7.387 -17.320) 19.805 7.937 ( -16.275 0.617 6.726) 17.621 8.133 ( 16.961 -0.228 0.217) 16.964 8.710 ( 4.695 -9.625 -2.256) 10.944 8.924 ( -6.212 -12.254 -14.967) 20.317 9.733 ( 2.486 13.941 6.821) 15.718 9.879 ( -10.360 0.340 1.644) 10.495 10.293 ( 2.682 -0.264 7.556) 8.023 10.610 ( 9.013 -3.263 -6.614) 11.646 11.627 ( 5.686 1.511 12.057) 13.416 12.130 ( 3.435 5.894 -8.128) 10.611 12.443 ( -7.153 0.865 4.367) 8.425 12.754 ( 5.400 0.859 -13.368) 14.443 13.914 ( 0.636 8.278 16.246) 18.244 14.624 ( 5.225 -8.112 6.207) 11.473 14.788 ( -6.288 20.657 -14.622) 26.077 15.184 ( 1.295 0.935 -10.956) 11.072 16.424 ( -24.297 -20.094 14.014) 34.504 17.051 ( 7.416 -15.067 -16.969) 23.874 18.415 ( -1.788 -0.657 3.668) 4.133 18.648 ( 6.903 -0.039 -8.118) 10.656 21.599 ( -8.817 0.946 19.156) 21.109 21.925 ( 19.351 -4.900 4.182) 20.395 23.938 ( 0.366 5.497 -3.447) 6.498 24.044 ( -3.291 0.966 -7.506) 8.252 ======================= Grid point 400 (212/260) ======================= q-point: ( 0.10 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.594 ( 0.697 3.014 7.747) 8.342 2.748 ( 3.297 3.475 2.631) 5.465 3.566 ( 2.035 7.186 17.857) 19.356 3.997 ( -1.992 0.727 -8.147) 8.419 4.401 ( -7.063 14.069 1.693) 15.833 5.056 ( -2.243 12.491 -16.281) 20.643 5.573 ( -14.716 1.669 18.302) 23.544 5.671 ( -4.517 2.804 10.300) 11.591 6.363 ( 1.210 9.986 -1.874) 10.232 6.700 ( 2.878 0.218 3.202) 4.311 7.124 ( 3.502 6.395 -1.639) 7.473 7.289 ( -2.541 -11.030 -12.715) 17.024 7.736 ( 0.888 8.718 -7.014) 11.225 8.396 ( -1.743 -3.085 1.621) 3.897 8.674 ( 11.763 -4.943 5.691) 13.971 9.061 ( 5.392 -10.390 -7.825) 14.080 9.598 ( -12.937 -1.667 2.773) 13.336 9.781 ( 1.340 13.501 5.359) 14.588 10.345 ( 1.835 -1.964 1.799) 3.234 10.835 ( 11.860 -0.503 -8.285) 14.476 11.744 ( 3.351 2.541 10.015) 10.862 12.060 ( -7.527 8.888 -9.647) 15.124 12.458 ( 7.961 -2.077 -2.185) 8.513 12.863 ( 4.959 -2.447 -12.227) 13.420 13.865 ( -6.136 6.639 13.057) 15.881 14.577 ( -10.082 13.920 -6.820) 18.492 14.717 ( 1.025 -8.094 -0.292) 8.164 15.242 ( 3.672 8.542 -6.979) 11.625 15.856 ( -25.035 -15.132 21.357) 36.220 17.282 ( 10.218 -18.657 -8.045) 22.742 18.335 ( -4.901 0.821 -0.592) 5.005 18.704 ( -0.695 -0.496 -8.470) 8.513 21.374 ( -12.552 5.353 13.726) 19.355 22.361 ( 20.592 -9.329 -1.841) 22.682 23.788 ( -11.344 1.503 -6.829) 13.326 24.067 ( 2.545 2.944 -2.281) 4.510 ======================= Grid point 401 (213/260) ======================= q-point: ( 0.20 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.617 ( 1.971 -0.517 3.169) 3.767 2.835 ( 3.644 6.963 3.929) 8.787 3.562 ( -3.360 9.062 13.406) 16.527 3.962 ( -0.910 -0.822 -7.878) 7.973 4.262 ( -5.180 10.194 -2.275) 11.659 4.888 ( -10.914 5.405 -22.347) 25.450 5.250 ( -13.657 -0.685 17.222) 21.991 5.625 ( -5.814 -7.206 11.120) 14.470 6.325 ( -3.444 13.763 -1.080) 14.228 6.775 ( 6.561 -0.330 3.837) 7.608 7.159 ( -0.732 3.427 -0.264) 3.514 7.304 ( 6.084 -7.905 -12.609) 16.078 7.885 ( 9.273 8.441 -9.590) 15.786 8.303 ( -2.747 -4.647 -0.345) 5.409 8.925 ( -10.487 -5.943 1.065) 12.101 9.080 ( 15.465 3.772 17.666) 23.780 9.387 ( -7.988 -1.893 -3.224) 8.819 9.854 ( 5.309 11.020 0.950) 12.269 10.368 ( 0.229 -1.587 0.236) 1.620 11.065 ( 10.099 1.646 -9.489) 13.956 11.677 ( -8.909 10.087 4.439) 14.171 12.005 ( 2.425 3.967 -2.879) 5.468 12.661 ( 9.977 -5.173 -12.155) 16.554 12.932 ( 2.448 -4.890 -7.630) 9.387 13.697 ( -9.299 3.643 9.113) 13.520 14.327 ( -12.558 11.050 -14.478) 22.122 14.721 ( -1.148 -13.535 10.576) 17.215 15.274 ( -0.894 14.148 9.786) 17.226 15.545 ( -5.115 -10.611 12.308) 17.036 17.354 ( -4.121 -15.459 -4.359) 16.582 18.268 ( -0.833 -1.831 -3.497) 4.034 18.644 ( -3.430 0.526 -8.243) 8.944 21.124 ( -11.497 7.847 13.298) 19.251 22.718 ( 12.691 -9.942 -13.583) 21.081 23.526 ( -12.226 -1.391 -2.969) 12.658 24.098 ( 0.378 2.132 -1.587) 2.685 ======================= Grid point 402 (214/260) ======================= q-point: ( 0.30 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.680 ( 3.498 0.073 2.688) 4.412 2.881 ( 0.810 7.657 1.656) 7.876 3.449 ( -7.527 6.417 6.036) 11.587 3.920 ( -4.495 2.361 -7.852) 9.351 4.213 ( 1.358 2.817 -5.259) 6.118 4.675 ( -6.597 -1.792 -20.555) 21.661 5.025 ( -8.964 -3.993 10.980) 14.727 5.431 ( -11.876 -10.585 9.867) 18.720 6.283 ( 0.611 8.896 -0.409) 8.926 6.980 ( 7.711 2.463 4.072) 9.061 7.110 ( 0.828 3.295 0.505) 3.435 7.498 ( 11.259 -4.101 -10.179) 15.722 8.019 ( 3.380 6.081 -5.810) 9.064 8.302 ( 2.467 -3.209 -3.094) 5.095 8.589 ( -17.577 -7.455 8.929) 21.077 9.138 ( -11.911 1.936 -8.154) 14.564 9.509 ( 17.420 6.347 16.624) 24.902 9.964 ( 4.580 10.086 0.517) 11.090 10.356 ( -1.078 3.942 2.174) 4.630 11.211 ( 3.056 4.347 -9.626) 10.995 11.518 ( -4.350 10.754 5.025) 12.642 12.056 ( 1.613 1.160 -5.052) 5.429 12.761 ( -0.571 -12.909 -9.742) 16.183 13.014 ( 5.910 0.068 -2.506) 6.419 13.551 ( -3.609 0.073 4.981) 6.152 14.071 ( -11.011 6.840 -8.779) 15.655 14.679 ( -3.188 -12.851 12.740) 18.375 15.278 ( 0.304 11.225 6.506) 12.978 15.558 ( 5.187 -7.003 7.721) 11.643 17.147 ( -13.359 -6.280 -6.332) 16.062 18.256 ( -1.157 -3.900 -3.118) 5.125 18.599 ( -0.308 1.905 -7.713) 7.951 20.928 ( -7.685 6.113 17.421) 19.998 22.787 ( -6.559 -6.617 -31.107) 32.472 23.378 ( 0.164 -6.057 9.610) 11.361 24.081 ( -1.791 0.784 -3.225) 3.771 ======================= Grid point 403 (215/260) ======================= q-point: ( 0.40 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.739 ( 1.438 5.132 5.812) 7.886 2.905 ( 2.479 4.988 -2.323) 6.035 3.271 ( -9.461 3.602 1.709) 10.267 3.744 ( -10.695 5.735 -14.467) 18.883 4.292 ( 4.484 -8.536 -0.928) 9.686 4.597 ( -2.335 -11.193 -9.824) 15.075 4.920 ( 0.804 -0.350 0.950) 1.293 5.197 ( -9.693 -6.889 2.494) 12.150 6.378 ( 8.598 4.173 1.376) 9.655 6.868 ( -10.920 3.683 4.975) 12.552 7.373 ( 14.992 3.091 0.605) 15.319 7.720 ( 9.657 -5.335 -2.760) 11.373 7.972 ( -9.247 3.976 0.598) 10.084 8.318 ( -5.411 -1.684 7.932) 9.749 8.387 ( 5.118 -2.992 -9.164) 10.914 8.844 ( -14.652 -0.660 -10.686) 18.147 9.806 ( 8.983 6.638 11.449) 15.995 10.027 ( 0.451 5.715 1.332) 5.885 10.376 ( 4.703 16.961 8.990) 19.764 11.162 ( -5.837 8.798 -5.421) 11.869 11.519 ( 2.296 5.405 2.772) 6.494 12.048 ( -2.206 -1.447 -10.601) 10.924 12.728 ( -0.237 -12.101 4.549) 12.930 13.087 ( 0.541 -1.668 -0.818) 1.935 13.572 ( 4.300 -0.526 0.878) 4.421 13.849 ( -10.628 4.113 -1.837) 11.543 14.624 ( -2.010 -9.670 12.417) 15.866 15.236 ( -3.733 -0.113 -9.048) 9.789 15.803 ( 17.470 -0.514 9.030) 19.672 16.855 ( -13.404 0.236 -9.859) 16.641 18.231 ( -0.373 0.516 -0.910) 1.111 18.579 ( -2.439 3.053 -8.313) 9.185 20.842 ( -1.245 -0.055 24.592) 24.623 22.503 ( -16.068 -5.343 -32.250) 36.425 23.486 ( 7.454 -6.617 8.653) 13.199 24.027 ( -3.016 -0.752 -6.121) 6.865 ======================= Grid point 404 (216/260) ======================= q-point: (-0.50 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.761 ( 1.203 8.575 8.285) 11.984 2.967 ( -0.053 2.307 -2.713) 3.561 3.096 ( -3.677 5.846 2.466) 7.333 3.510 ( -10.351 1.805 -13.552) 17.148 4.332 ( -1.422 -12.618 4.226) 13.383 4.505 ( -5.335 -10.900 -3.385) 12.599 5.077 ( 3.541 0.301 -7.931) 8.691 5.104 ( 11.111 -2.377 -6.287) 12.986 6.583 ( -0.986 -0.403 4.657) 4.777 6.668 ( 3.606 3.012 0.947) 4.793 7.565 ( 1.984 -0.975 6.832) 7.181 7.592 ( -18.089 0.064 8.313) 19.908 8.047 ( 15.527 0.013 0.111) 15.528 8.320 ( -0.632 1.537 -6.410) 6.622 8.384 ( -6.036 0.181 -7.623) 9.725 8.662 ( 2.749 -2.523 -9.430) 10.141 9.915 ( 2.580 6.759 6.863) 9.972 9.963 ( -5.841 3.549 6.042) 9.123 10.560 ( 10.071 21.215 10.763) 25.833 11.005 ( -8.784 8.570 -6.031) 13.673 11.555 ( 0.451 4.937 6.021) 7.800 11.961 ( -4.777 -4.595 -12.788) 14.403 12.786 ( 4.532 -6.472 10.348) 13.019 13.072 ( -0.973 -6.104 -1.615) 6.388 13.615 ( -10.368 2.544 3.680) 11.292 13.665 ( 2.607 1.141 1.864) 3.402 14.633 ( 2.577 -6.831 11.638) 13.739 15.160 ( -2.299 -7.922 -12.981) 15.380 16.246 ( 23.624 3.393 1.331) 23.903 16.601 ( -9.968 3.793 -14.040) 17.632 18.251 ( 1.921 3.620 2.098) 4.604 18.475 ( -6.608 3.994 -8.255) 11.304 20.906 ( 5.650 -6.989 31.847) 33.091 22.154 ( -15.031 -4.408 -29.430) 33.339 23.652 ( 7.456 -3.352 6.024) 10.155 23.962 ( -2.327 -2.647 -9.242) 9.892 ======================= Grid point 405 (217/260) ======================= q-point: (-0.40 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.803 ( -2.545 2.620 0.394) 3.674 2.850 ( -0.994 8.221 13.308) 15.674 3.164 ( 0.809 10.077 -0.853) 10.145 3.352 ( 0.289 -4.223 -0.025) 4.233 4.277 ( -2.555 -6.733 1.819) 7.428 4.395 ( -4.324 -0.947 -6.665) 8.001 5.187 ( 8.885 -1.336 -10.273) 13.648 5.445 ( 18.025 -1.723 -7.659) 19.661 6.416 ( -6.838 -2.437 2.165) 7.575 6.908 ( 7.669 -0.322 3.484) 8.430 7.242 ( -12.945 3.646 10.693) 17.181 7.507 ( -6.118 -11.538 2.868) 13.370 8.083 ( -11.758 2.814 -11.195) 16.477 8.295 ( 4.081 7.564 -3.291) 9.203 8.490 ( 10.890 3.506 6.324) 13.072 8.828 ( 11.659 -7.778 -11.659) 18.231 9.822 ( -7.528 5.173 11.570) 14.741 9.968 ( 2.626 6.165 3.100) 7.383 10.697 ( -2.446 10.178 -0.890) 10.506 10.811 ( -5.834 12.906 2.452) 14.374 11.542 ( -1.946 6.145 10.153) 12.026 11.877 ( -2.018 -3.806 -10.156) 11.032 12.856 ( 0.682 -3.711 7.415) 8.320 13.032 ( -5.147 -6.031 -3.162) 8.536 13.492 ( 2.478 2.188 3.487) 4.804 13.703 ( 0.933 2.619 3.801) 4.710 14.736 ( 6.018 -5.272 13.297) 15.518 15.135 ( 0.451 -11.717 -11.980) 16.763 16.425 ( -5.005 6.741 -17.495) 19.405 16.761 ( 24.133 3.654 -6.368) 25.225 18.271 ( -2.158 2.443 1.543) 3.607 18.350 ( -2.786 1.317 -2.876) 4.215 21.086 ( 9.263 -9.939 35.738) 38.233 21.872 ( -10.373 -1.915 -23.627) 25.875 23.763 ( 2.168 1.780 -0.133) 2.808 23.958 ( 3.323 -4.795 -7.810) 9.749 ======================= Grid point 406 (218/260) ======================= q-point: (-0.30 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.677 ( -5.393 -0.750 3.156) 6.293 2.972 ( 6.019 10.807 10.344) 16.125 3.035 ( -6.718 -0.930 11.806) 13.615 3.568 ( 14.939 7.326 8.725) 18.788 4.239 ( -1.036 1.363 -2.322) 2.884 4.370 ( 3.019 7.970 -12.991) 15.537 5.387 ( 10.135 3.387 -6.058) 12.283 5.803 ( 15.686 -1.386 -8.644) 17.964 6.329 ( -2.414 -1.021 2.540) 3.650 6.816 ( -10.200 -3.085 9.639) 14.369 7.124 ( -5.706 -0.231 9.163) 10.797 7.451 ( 3.166 -14.550 -13.816) 20.312 7.882 ( -7.519 3.210 -4.373) 9.272 8.287 ( -2.385 9.047 -1.314) 9.448 8.681 ( 4.985 1.864 6.624) 8.497 9.112 ( 15.085 -7.250 -6.496) 17.953 9.685 ( -5.310 7.193 10.618) 13.881 10.028 ( 2.297 4.509 -1.262) 5.215 10.437 ( -15.480 2.413 -9.917) 18.542 10.773 ( -3.806 10.061 12.232) 16.289 11.503 ( -1.880 6.565 11.038) 12.979 11.876 ( 1.988 0.893 -4.227) 4.756 12.828 ( -4.493 -5.802 -2.386) 7.716 12.860 ( -7.365 0.132 2.501) 7.779 13.693 ( 7.827 3.492 5.398) 10.129 13.752 ( 10.068 3.155 -3.938) 11.261 14.858 ( 4.098 -2.338 13.975) 14.749 15.161 ( 2.362 -13.026 -9.206) 16.125 16.364 ( 0.031 7.760 -19.467) 20.957 17.226 ( 20.044 -1.931 -10.612) 22.762 18.201 ( -2.451 -3.749 -0.055) 4.479 18.328 ( -1.057 0.008 3.354) 3.517 21.292 ( 7.877 -6.148 29.521) 31.167 21.714 ( -3.644 -1.061 -8.143) 8.984 23.774 ( 0.358 2.884 -7.612) 8.148 24.058 ( 5.145 -2.107 -4.032) 6.868 ======================= Grid point 407 (219/260) ======================= q-point: (-0.20 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.586 ( -3.787 -0.852 6.044) 7.183 2.875 ( -5.388 -1.157 7.644) 9.424 3.170 ( 8.307 8.372 21.134) 24.202 3.884 ( 13.012 11.684 9.721) 20.008 4.261 ( 3.921 5.665 -2.215) 7.237 4.488 ( 8.675 14.119 -16.444) 23.346 5.610 ( 11.944 9.762 -0.132) 15.427 6.032 ( 5.696 2.570 -7.637) 9.868 6.235 ( -8.129 5.709 9.633) 13.837 6.743 ( 5.170 -7.645 0.195) 9.231 6.963 ( -10.090 -3.720 7.351) 13.026 7.539 ( 4.536 -11.967 -15.064) 19.766 7.744 ( -5.273 1.806 -7.394) 9.260 8.275 ( 3.066 2.373 0.708) 3.941 8.656 ( -8.532 -1.667 11.142) 14.132 9.393 ( 10.502 -3.781 -0.435) 11.170 9.630 ( -2.560 10.745 -2.673) 11.364 9.953 ( -8.499 3.371 -10.943) 14.260 10.236 ( -0.761 -3.005 5.043) 5.919 10.650 ( -7.575 4.458 10.241) 13.496 11.488 ( 0.089 5.145 11.762) 12.838 11.938 ( 3.838 4.377 0.187) 5.824 12.691 ( -4.702 0.242 -6.776) 8.251 12.771 ( -4.617 -2.030 1.497) 5.261 13.764 ( 3.155 6.546 10.136) 12.472 14.104 ( 18.265 2.346 -10.994) 21.448 14.905 ( 0.063 3.054 9.011) 9.515 15.205 ( 1.594 -9.601 -6.993) 11.985 16.402 ( 4.551 3.368 -16.742) 17.673 17.498 ( 2.561 -19.585 -12.220) 23.227 18.194 ( 3.939 1.041 0.072) 4.075 18.341 ( 2.896 -1.313 5.064) 5.980 21.423 ( 4.660 1.936 10.673) 11.806 21.711 ( 1.848 -4.452 17.895) 18.533 23.797 ( 2.526 3.906 -9.156) 10.270 24.135 ( 2.031 0.433 -4.392) 4.858 ======================= Grid point 408 (220/260) ======================= q-point: (-0.10 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.534 ( -1.196 2.527 9.808) 10.198 2.795 ( -3.200 -1.316 5.872) 6.816 3.338 ( 6.826 6.202 20.057) 22.076 4.048 ( 2.494 9.895 0.611) 10.223 4.401 ( 7.747 7.856 6.506) 12.808 4.708 ( 12.857 19.189 -16.216) 28.222 5.864 ( 7.016 11.849 5.279) 14.748 5.945 ( -7.344 8.068 13.193) 17.120 6.209 ( 5.961 5.739 -5.501) 9.937 6.694 ( -14.816 -1.162 5.118) 15.719 6.915 ( 7.622 -2.959 -3.531) 8.906 7.532 ( -5.138 -10.566 -13.593) 17.967 7.783 ( 11.204 2.461 -6.505) 13.188 8.360 ( -18.803 -2.070 11.993) 22.398 8.447 ( 12.764 -8.477 -4.023) 15.842 9.288 ( -19.472 -6.114 -11.617) 23.484 9.633 ( 6.285 12.232 0.199) 13.754 9.949 ( 3.709 4.463 -2.399) 6.279 10.259 ( 0.439 -4.512 11.138) 12.025 10.529 ( -2.169 0.106 1.553) 2.670 11.526 ( 3.109 2.690 12.455) 13.116 12.030 ( 4.960 5.370 -0.305) 7.316 12.608 ( -6.318 0.902 2.353) 6.802 12.689 ( 0.089 0.836 -11.807) 11.837 13.848 ( 3.962 8.104 14.279) 16.889 14.435 ( 13.052 -1.218 -8.037) 15.376 14.882 ( -2.535 12.017 0.378) 12.288 15.201 ( -1.313 -3.458 -9.490) 10.186 16.533 ( 7.400 -8.227 -6.339) 12.752 17.266 ( -19.755 -23.846 -12.018) 33.216 18.377 ( 7.073 -1.022 4.584) 8.490 18.448 ( 9.239 1.314 -3.735) 10.051 21.571 ( 9.981 1.046 9.169) 13.593 21.734 ( -1.321 -3.018 20.939) 21.197 23.867 ( 4.300 5.056 -6.922) 9.590 24.129 ( -2.420 1.432 -6.003) 6.629 ======================= Grid point 409 (221/260) ======================= q-point: ( 0.00 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.645 ( 3.899 3.364 8.062) 9.566 2.711 ( -1.966 -1.808 6.369) 6.906 3.544 ( 5.468 1.757 17.136) 18.073 4.112 ( -5.162 2.022 -4.299) 7.015 4.671 ( 3.501 4.908 8.901) 10.750 5.254 ( 7.242 8.361 -18.483) 21.540 5.743 ( -12.414 1.259 18.822) 22.583 6.153 ( -16.120 6.370 13.342) 21.873 6.396 ( 6.481 6.217 2.501) 9.323 6.572 ( 8.730 -4.308 -11.913) 15.384 7.106 ( 6.870 3.878 -5.097) 9.392 7.233 ( -5.777 -7.269 -9.489) 13.276 7.991 ( -10.266 3.803 0.940) 10.988 8.131 ( 16.840 -1.041 3.899) 17.316 8.581 ( 10.396 -2.316 -8.255) 13.476 8.706 ( -15.336 -8.404 -9.245) 19.781 9.874 ( -13.598 0.056 6.571) 15.103 9.959 ( 5.772 6.525 0.379) 8.719 10.323 ( -1.820 3.293 4.977) 6.240 10.512 ( 12.472 -5.623 -1.993) 13.825 11.656 ( 5.251 0.968 13.796) 14.793 12.217 ( 5.608 2.543 -7.782) 9.923 12.462 ( -8.141 0.735 2.911) 8.678 12.760 ( 3.664 -0.047 -14.648) 15.100 14.032 ( 0.386 3.385 19.276) 19.575 14.499 ( 2.326 -3.760 9.370) 10.361 15.131 ( -3.352 12.026 -17.189) 21.244 15.209 ( 3.747 0.911 -12.656) 13.230 16.090 ( -25.407 -11.503 16.505) 32.407 16.815 ( 7.832 -7.229 -19.799) 22.486 18.410 ( -0.415 -0.034 3.746) 3.769 18.646 ( 5.691 -0.094 -8.447) 10.186 21.615 ( -5.518 0.521 17.763) 18.608 21.867 ( 14.978 -1.316 6.347) 16.321 24.017 ( -1.037 2.671 -4.864) 5.645 24.048 ( -2.619 -0.629 -6.067) 6.638 ======================= Grid point 410 (222/260) ======================= q-point: ( 0.10 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.622 ( -2.574 0.473 4.342) 5.069 2.801 ( 6.535 1.553 5.250) 8.526 3.667 ( 5.022 2.750 18.123) 19.006 3.999 ( -5.192 -0.098 -6.652) 8.439 4.635 ( -6.608 7.702 3.559) 10.754 5.207 ( -9.945 3.207 -12.237) 16.091 5.553 ( -9.388 -1.695 13.442) 16.483 5.761 ( -18.591 3.470 13.581) 23.283 6.531 ( 5.184 5.231 6.243) 9.655 6.749 ( 7.415 5.723 -10.365) 13.970 7.052 ( -6.306 -11.494 -9.159) 15.993 7.218 ( 2.305 2.729 -7.605) 8.402 7.892 ( 1.176 5.003 -11.601) 12.689 8.337 ( -7.810 -1.250 2.058) 8.173 8.604 ( 23.689 -2.732 13.022) 27.170 8.895 ( 7.857 -5.032 -9.157) 13.073 9.571 ( -13.670 -0.715 4.226) 14.326 10.037 ( 1.874 10.834 2.859) 11.361 10.272 ( -1.248 -5.303 -1.511) 5.653 10.812 ( 14.364 -1.105 -2.778) 14.672 11.777 ( 4.623 0.872 11.513) 12.437 12.240 ( -5.905 8.402 -4.588) 11.248 12.399 ( 5.600 -4.438 -10.251) 12.496 12.819 ( 2.518 -1.486 -10.143) 10.556 13.970 ( -7.393 3.384 14.054) 16.237 14.520 ( -0.525 -5.311 13.489) 14.507 14.867 ( -16.671 8.686 -22.225) 29.108 15.375 ( 8.695 3.873 -8.188) 12.555 15.614 ( -18.930 -7.841 26.962) 33.864 17.002 ( 8.982 -8.276 -11.959) 17.094 18.348 ( -5.034 0.392 -0.144) 5.051 18.692 ( -0.482 -0.478 -9.215) 9.240 21.456 ( -9.749 2.495 12.842) 16.315 22.233 ( 18.441 -3.453 0.946) 18.785 23.805 ( -13.015 0.381 -7.161) 14.860 24.105 ( 2.382 0.946 -1.403) 2.922 ======================= Grid point 411 (223/260) ======================= q-point: ( 0.20 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.605 ( 1.050 -0.469 1.786) 2.124 2.924 ( 4.577 2.212 3.816) 6.356 3.738 ( -0.411 7.640 13.752) 15.738 3.903 ( -3.197 -4.438 -3.356) 6.417 4.452 ( -9.500 7.341 -0.907) 12.041 4.931 ( -14.626 -1.117 -12.525) 19.289 5.276 ( -15.355 4.784 11.234) 19.618 5.448 ( -13.365 -9.520 10.025) 19.229 6.558 ( -6.215 7.928 -2.344) 10.343 6.807 ( 6.818 2.568 -4.238) 8.428 7.126 ( 8.375 -6.745 -2.811) 11.115 7.258 ( 4.069 3.234 -12.938) 13.943 7.967 ( 5.808 0.153 -8.408) 10.220 8.262 ( -1.149 0.556 3.541) 3.763 8.816 ( -13.438 -3.566 3.051) 14.234 9.134 ( 24.546 0.940 16.649) 29.674 9.369 ( -7.614 -0.010 -4.263) 8.726 10.081 ( 3.143 11.026 0.370) 11.471 10.286 ( 2.751 -6.690 -4.054) 8.292 11.081 ( 11.220 0.242 -3.373) 11.719 11.795 ( -4.252 2.202 8.207) 9.502 12.153 ( -0.472 9.256 0.949) 9.316 12.509 ( 2.924 -8.727 -22.038) 23.883 12.881 ( 5.237 -0.749 -3.583) 6.389 13.761 ( -11.921 2.283 9.626) 15.491 14.484 ( -14.756 3.974 -11.204) 18.949 14.507 ( -4.269 -6.223 7.554) 10.678 15.384 ( -3.074 -3.908 23.989) 24.499 15.505 ( 1.835 6.430 -0.364) 6.697 17.117 ( 1.577 -7.162 -7.125) 10.225 18.240 ( -4.177 -0.785 -2.976) 5.188 18.650 ( -2.109 0.083 -9.035) 9.278 21.244 ( -10.978 3.569 13.092) 17.454 22.575 ( 13.200 -4.070 -10.746) 17.501 23.505 ( -14.458 -0.619 -3.919) 14.993 24.125 ( -0.381 0.680 -0.627) 1.000 ======================= Grid point 412 (224/260) ======================= q-point: ( 0.30 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.668 ( 4.641 -0.614 1.355) 4.873 2.988 ( 1.524 2.722 2.392) 3.931 3.625 ( -9.940 9.999 1.832) 14.217 3.867 ( -1.798 -6.719 8.109) 10.683 4.293 ( -5.155 4.365 -4.122) 7.913 4.614 ( -14.254 -4.053 -17.875) 23.219 5.018 ( -8.921 4.757 5.930) 11.720 5.199 ( -10.320 -11.599 6.812) 16.954 6.419 ( -3.610 4.019 -4.227) 6.860 7.059 ( 13.583 3.828 -2.608) 14.351 7.150 ( -2.081 -0.062 1.087) 2.348 7.449 ( 10.828 -0.421 -9.484) 14.401 8.103 ( 5.733 1.806 -7.504) 9.615 8.227 ( -2.131 -2.837 8.178) 8.914 8.506 ( -13.487 -1.520 3.712) 14.071 9.139 ( -13.504 -0.593 -7.574) 15.494 9.610 ( 18.594 2.993 15.620) 24.468 10.134 ( 0.652 5.788 2.680) 6.412 10.403 ( 9.242 0.779 -5.906) 10.996 11.257 ( 5.096 0.859 -2.842) 5.898 11.665 ( -6.425 3.297 4.677) 8.603 12.177 ( 0.487 11.467 -1.435) 11.567 12.472 ( -3.301 -15.545 -9.731) 18.635 13.031 ( 6.823 0.908 -3.188) 7.586 13.558 ( -5.952 0.391 6.152) 8.569 14.155 ( -13.820 1.702 -7.989) 16.054 14.480 ( -0.979 -5.735 10.783) 12.252 15.438 ( -5.715 1.488 -12.174) 13.531 15.483 ( 8.688 1.532 27.047) 28.450 17.051 ( -7.040 -2.938 -6.529) 10.041 18.198 ( 0.337 -1.687 -3.165) 3.602 18.624 ( 0.059 0.589 -8.088) 8.110 21.024 ( -10.533 2.944 17.477) 20.616 22.684 ( -4.205 -3.146 -30.776) 31.221 23.297 ( -2.531 -2.156 10.167) 10.697 24.091 ( -2.763 0.217 -2.470) 3.713 ======================= Grid point 413 (225/260) ======================= q-point: ( 0.40 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.781 ( 5.636 0.385 3.300) 6.543 3.011 ( 1.244 3.594 3.478) 5.153 3.375 ( -13.122 5.904 0.485) 14.397 3.780 ( -8.008 -2.768 4.784) 9.730 4.206 ( -3.288 2.437 -7.136) 8.226 4.374 ( -6.966 -10.446 -14.078) 18.864 4.940 ( 1.914 2.586 -2.595) 4.133 5.046 ( -4.367 -7.026 1.536) 8.414 6.447 ( 6.458 2.244 -2.068) 7.143 6.950 ( -12.330 2.938 1.578) 12.773 7.448 ( 16.920 3.970 -0.566) 17.389 7.609 ( 4.890 -5.069 2.879) 7.609 8.013 ( -10.645 0.478 3.389) 11.181 8.313 ( 5.967 0.627 2.287) 6.421 8.354 ( 0.205 -0.662 -8.971) 8.998 8.825 ( -15.029 -0.816 -8.963) 17.518 9.901 ( 8.779 2.662 11.331) 14.579 10.106 ( -3.174 2.235 5.710) 6.905 10.650 ( 13.589 8.777 -1.483) 16.244 11.251 ( -5.380 0.901 -2.007) 5.812 11.601 ( 0.237 2.343 1.825) 2.980 12.087 ( -8.321 4.528 -10.572) 14.195 12.496 ( 6.295 -9.615 10.687) 15.693 13.063 ( -3.376 -0.635 1.552) 3.770 13.567 ( 5.030 -0.050 1.657) 5.296 13.886 ( -12.270 0.318 -0.755) 12.297 14.488 ( 1.489 -3.648 8.740) 9.587 15.236 ( -10.524 0.008 -11.841) 15.842 15.811 ( 20.080 0.616 11.643) 23.219 16.857 ( -10.141 -0.014 -9.669) 14.012 18.239 ( 3.186 0.246 -0.777) 3.289 18.617 ( -1.242 0.902 -8.025) 8.171 20.848 ( -6.721 0.352 25.039) 25.928 22.423 ( -15.570 -2.389 -33.638) 37.144 23.393 ( 8.552 -2.533 10.374) 13.681 24.015 ( -4.084 -0.348 -5.769) 7.077 ======================= Grid point 414 (226/260) ======================= q-point: (-0.50 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.892 ( 4.800 3.468 8.108) 10.041 3.033 ( -4.633 3.863 4.224) 7.364 3.158 ( -1.287 0.776 5.337) 5.544 3.533 ( -14.407 0.061 -3.363) 14.795 4.178 ( 0.296 -1.127 -4.280) 4.436 4.299 ( 0.335 -9.326 -10.609) 14.130 5.005 ( 2.262 -3.449 -4.165) 5.862 5.106 ( 11.935 0.371 -9.870) 15.492 6.632 ( -1.168 4.077 1.723) 4.577 6.691 ( 0.268 -1.078 -0.516) 1.225 7.519 ( -7.089 -1.747 10.505) 12.793 7.612 ( -12.971 0.564 11.731) 17.498 8.045 ( 19.116 -0.125 -2.483) 19.277 8.323 ( -4.877 -0.131 -15.920) 16.650 8.451 ( 4.484 4.219 -2.697) 6.721 8.601 ( -2.340 -3.239 -7.074) 8.125 10.016 ( -1.392 2.650 9.953) 10.393 10.022 ( -1.040 2.122 7.562) 7.923 10.902 ( 8.282 12.375 3.638) 15.329 11.088 ( -8.553 -0.553 -5.352) 10.105 11.628 ( 1.287 2.142 4.224) 4.908 11.902 ( -7.377 -1.407 -8.829) 11.591 12.693 ( 10.549 -2.558 12.935) 16.886 12.961 ( -5.426 -3.922 1.554) 6.873 13.639 ( -10.300 0.361 2.834) 10.689 13.675 ( 3.515 0.068 4.505) 5.715 14.555 ( 4.397 -1.645 9.858) 10.919 15.043 ( -6.502 -3.328 -14.859) 16.557 16.294 ( 25.059 1.317 -0.023) 25.094 16.655 ( -7.969 1.466 -14.486) 16.598 18.307 ( 2.766 1.701 2.128) 3.882 18.531 ( -6.904 1.526 -8.081) 10.738 20.803 ( 1.422 -2.962 33.642) 33.802 22.092 ( -13.558 -1.718 -29.340) 32.366 23.603 ( 10.553 -1.383 6.424) 12.432 23.925 ( -3.898 -1.013 -9.345) 10.176 ======================= Grid point 415 (227/260) ======================= q-point: (-0.40 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.833 ( -9.812 1.140 3.155) 10.369 3.007 ( 5.520 5.289 13.610) 15.611 3.234 ( -13.188 -0.822 -1.137) 13.263 3.333 ( 13.112 0.866 13.923) 19.145 4.198 ( 2.329 -0.750 -4.942) 5.514 4.361 ( 5.179 -2.145 -13.055) 14.207 5.128 ( 10.187 -3.072 -9.587) 14.322 5.411 ( 16.959 -1.054 -12.185) 20.909 6.418 ( -8.277 1.258 0.473) 8.386 6.909 ( 6.119 0.356 3.434) 7.026 7.299 ( -9.574 -0.114 7.883) 12.402 7.320 ( -14.211 -4.195 10.918) 18.405 8.132 ( -10.018 1.536 -10.133) 14.332 8.460 ( 12.421 8.223 -5.055) 15.731 8.543 ( 8.385 2.075 3.618) 9.365 8.664 ( 7.006 -8.622 -10.789) 15.487 9.897 ( -6.548 2.119 13.546) 15.194 10.067 ( 1.808 3.075 4.449) 5.703 10.803 ( -13.577 2.194 -11.369) 17.844 11.031 ( -1.989 6.795 10.697) 12.828 11.643 ( -0.298 3.355 8.905) 9.520 11.824 ( 0.827 -1.489 -8.252) 8.425 12.811 ( -3.042 -0.581 2.438) 3.942 12.910 ( 1.120 -4.945 5.764) 7.676 13.522 ( 2.436 0.809 1.193) 2.831 13.734 ( 1.886 0.641 7.353) 7.618 14.674 ( 6.190 -1.263 14.035) 15.391 14.959 ( -1.072 -5.247 -14.784) 15.725 16.530 ( -2.780 3.150 -19.013) 19.472 16.808 ( 23.071 1.166 -9.329) 24.913 18.319 ( -6.866 2.302 -1.103) 7.325 18.356 ( -3.705 -0.783 -0.085) 3.788 20.942 ( 9.640 -4.078 39.340) 40.709 21.847 ( -8.626 -0.624 -22.971) 24.545 23.805 ( 5.262 2.549 -1.428) 6.019 23.872 ( 2.597 -3.832 -7.542) 8.849 ======================= Grid point 416 (228/260) ======================= q-point: (-0.30 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.662 ( -6.557 -0.369 3.574) 7.477 2.979 ( -9.062 -2.437 9.099) 13.071 3.168 ( 6.697 6.804 13.906) 16.868 3.669 ( 17.567 1.562 19.599) 26.366 4.266 ( 3.941 1.809 -7.448) 8.618 4.493 ( 8.700 3.537 -17.062) 19.476 5.404 ( 16.093 -0.692 -10.309) 19.124 5.766 ( 16.853 -1.558 -14.219) 22.104 6.339 ( 1.050 1.406 0.934) 1.988 6.767 ( -15.046 -1.743 15.506) 21.676 7.051 ( -10.761 -4.858 2.897) 12.157 7.318 ( 5.854 -0.743 -2.263) 6.320 7.924 ( -9.324 1.013 -5.809) 11.032 8.473 ( -3.854 8.315 -2.957) 9.630 8.675 ( 0.887 -2.649 2.606) 3.820 8.988 ( 19.153 -3.962 -2.370) 19.702 9.788 ( -3.391 2.787 10.678) 11.545 10.108 ( 1.771 2.745 2.381) 4.042 10.455 ( -18.687 -0.019 -15.468) 24.258 10.911 ( -9.098 3.634 14.686) 17.654 11.624 ( -2.056 4.359 12.571) 13.463 11.896 ( 5.251 0.775 -4.541) 6.985 12.728 ( -3.528 -3.417 -5.869) 7.653 12.852 ( -5.468 -0.520 5.134) 7.518 13.750 ( 13.792 2.272 0.083) 13.978 13.787 ( 5.977 0.182 4.607) 7.548 14.818 ( 6.774 -1.264 17.250) 18.575 14.967 ( 2.195 -5.598 -13.004) 14.327 16.516 ( 2.009 5.629 -22.061) 22.856 17.170 ( 9.632 -2.654 -13.824) 17.056 18.147 ( -4.159 -1.537 -0.314) 4.445 18.327 ( -1.558 -0.063 4.793) 5.040 21.209 ( 12.917 -2.201 39.376) 41.499 21.702 ( -4.663 -0.230 -13.804) 14.573 23.810 ( 0.505 0.909 -13.403) 13.444 24.029 ( 7.564 -0.806 0.059) 7.607 ======================= Grid point 417 (229/260) ======================= q-point: (-0.20 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.569 ( -2.520 -0.580 4.311) 5.027 2.838 ( -4.923 -1.506 13.219) 14.186 3.313 ( 5.963 4.764 15.467) 17.248 4.042 ( 15.530 3.516 21.890) 27.069 4.333 ( 3.248 2.322 -9.009) 9.854 4.714 ( 13.360 7.076 -18.727) 24.068 5.761 ( 18.140 4.687 -7.101) 20.037 6.055 ( 11.163 0.009 -15.639) 19.214 6.354 ( -10.434 6.844 16.087) 20.359 6.568 ( 6.097 -9.593 4.288) 12.149 6.881 ( -7.053 -3.123 1.302) 7.823 7.391 ( 0.909 -2.877 -7.026) 7.647 7.774 ( -3.030 0.754 -8.186) 8.761 8.364 ( -5.069 4.998 0.297) 7.125 8.591 ( -9.772 -3.962 10.291) 14.734 9.320 ( 10.211 -2.237 1.090) 10.510 9.801 ( 2.248 4.944 -5.462) 7.703 10.024 ( -12.320 3.320 -9.867) 16.129 10.166 ( -1.490 -3.327 3.093) 4.780 10.707 ( -10.532 1.378 14.066) 17.626 11.582 ( -2.113 3.267 14.801) 15.304 12.006 ( 5.117 2.033 -0.314) 5.515 12.677 ( -0.630 -1.047 -12.177) 12.238 12.742 ( -5.210 -0.656 3.490) 6.305 13.853 ( 4.325 2.371 12.852) 13.766 14.130 ( 16.559 0.483 -7.392) 18.141 14.958 ( 5.278 2.821 3.338) 6.853 15.044 ( 6.294 -6.371 -2.913) 9.418 16.555 ( 1.846 9.802 -22.460) 24.576 17.123 ( -12.036 -15.531 -8.158) 21.275 18.223 ( 9.847 1.217 -2.800) 10.309 18.318 ( 1.247 -0.874 5.973) 6.164 21.469 ( 9.110 1.949 30.018) 31.430 21.639 ( -0.590 -2.400 0.683) 2.564 23.844 ( 3.365 1.061 -13.386) 13.843 24.143 ( 3.174 0.299 -1.795) 3.659 ======================= Grid point 418 (230/260) ======================= q-point: (-0.10 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.566 ( 1.987 0.791 5.747) 6.132 2.769 ( -3.078 -0.976 12.570) 12.978 3.430 ( 4.803 2.720 15.476) 16.431 4.195 ( -1.462 4.231 2.959) 5.366 4.493 ( 11.523 1.972 7.852) 14.082 5.009 ( 14.931 9.422 -18.567) 25.621 6.022 ( -11.178 4.145 17.875) 21.486 6.139 ( 9.890 8.926 -0.697) 13.341 6.258 ( 9.156 -0.403 -11.622) 14.800 6.634 ( -11.412 -3.824 6.633) 13.743 6.881 ( 13.084 -0.542 -3.848) 13.648 7.348 ( -4.296 -5.691 -8.362) 10.989 7.842 ( 9.354 2.000 -8.772) 12.979 8.303 ( -14.683 -2.300 10.595) 18.251 8.350 ( 3.713 -2.063 -2.132) 4.752 9.185 ( -21.894 -3.182 -7.795) 23.457 9.813 ( 6.656 4.676 -10.093) 12.963 10.053 ( 0.204 5.543 2.761) 6.196 10.174 ( 6.900 -3.997 6.948) 10.577 10.512 ( -7.976 -1.163 8.622) 11.803 11.576 ( 1.288 1.738 15.174) 15.327 12.109 ( 4.968 2.251 -0.838) 5.518 12.619 ( -6.579 0.215 2.898) 7.192 12.698 ( 2.562 0.150 -15.591) 15.801 13.960 ( 4.695 2.994 17.909) 18.755 14.391 ( 8.451 -1.700 0.246) 8.624 15.050 ( 4.795 3.082 -10.766) 12.182 15.189 ( 5.275 1.907 -5.592) 7.920 16.507 ( -9.670 6.539 -4.137) 12.384 16.815 ( -10.684 -20.269 -15.497) 27.661 18.366 ( 3.602 -0.207 6.661) 7.575 18.470 ( 10.986 0.625 -6.713) 12.890 21.614 ( 5.319 2.802 16.299) 17.372 21.676 ( 2.443 -2.912 14.217) 14.716 23.929 ( 5.035 1.451 -9.930) 11.228 24.151 ( -2.453 0.628 -3.915) 4.663 ======================= Grid point 459 (231/260) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.570 ( -3.740 0.000 -7.789) 8.640 2.570 ( 3.740 0.000 7.789) 8.640 3.375 ( -8.798 0.000 -9.339) 12.830 3.375 ( 8.798 0.000 9.339) 12.830 4.040 ( -1.453 0.000 0.043) 1.454 4.040 ( 1.453 0.000 -0.043) 1.454 5.815 ( 4.140 0.000 -7.316) 8.406 5.815 ( -4.140 0.000 7.316) 8.406 6.210 ( -25.061 0.000 -10.532) 27.184 6.210 ( 25.061 0.000 10.532) 27.184 7.079 ( 5.079 0.000 -8.658) 10.038 7.079 ( -5.079 0.000 8.658) 10.038 8.131 ( 12.052 0.000 -9.091) 15.096 8.131 ( -12.052 0.000 9.091) 15.096 9.166 ( 1.342 0.000 -14.708) 14.769 9.166 ( -1.342 0.000 14.708) 14.769 9.540 ( 6.957 0.000 -8.189) 10.745 9.540 ( -6.957 0.000 8.189) 10.745 10.505 ( 6.363 0.000 -3.896) 7.461 10.505 ( -6.363 0.000 3.896) 7.461 11.726 ( -6.993 0.000 -2.499) 7.426 11.726 ( 6.993 0.000 2.499) 7.426 12.592 ( -4.684 0.000 1.453) 4.904 12.592 ( 4.684 0.000 -1.453) 4.904 13.599 ( -6.714 0.000 -9.712) 11.807 13.599 ( 6.714 0.000 9.712) 11.807 15.101 ( -9.775 0.000 -5.890) 11.413 15.101 ( 9.775 0.000 5.890) 11.413 17.407 ( -30.663 0.000 8.720) 31.878 17.407 ( 30.663 0.000 -8.720) 31.878 18.565 ( -5.857 0.000 -0.410) 5.871 18.565 ( 5.857 0.000 0.410) 5.871 22.046 ( 24.653 0.000 -21.067) 32.428 22.046 ( -24.653 0.000 21.067) 32.428 23.720 ( -5.627 0.000 -12.222) 13.456 23.720 ( 5.627 0.000 12.222) 13.456 ======================= Grid point 461 (232/260) ======================= q-point: ( 0.10 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.521 ( -1.028 0.000 -0.092) 1.032 2.685 ( 6.382 0.000 11.964) 13.560 3.196 ( -7.729 0.000 -15.787) 17.577 3.577 ( 10.135 0.000 5.011) 11.306 3.920 ( -8.999 0.000 -6.837) 11.301 3.993 ( -4.632 0.000 -8.715) 9.869 5.738 ( -17.530 0.000 -13.218) 21.955 5.765 ( -1.692 0.000 9.022) 9.180 5.957 ( 8.295 0.000 -3.639) 9.058 6.734 ( 21.563 0.000 2.896) 21.756 7.004 ( -0.866 0.000 12.818) 12.847 7.195 ( 6.534 0.000 -3.380) 7.356 7.926 ( -7.082 0.000 10.135) 12.364 8.365 ( 8.981 0.000 -3.418) 9.610 9.025 ( -12.799 0.000 -11.125) 16.958 9.092 ( -3.213 0.000 6.421) 7.180 9.522 ( 3.579 0.000 4.543) 5.783 9.700 ( 5.779 0.000 -3.283) 6.647 10.371 ( -6.150 0.000 2.374) 6.592 10.615 ( 3.958 0.000 -7.052) 8.087 11.530 ( -10.286 0.000 1.751) 10.434 11.804 ( 1.166 0.000 -2.695) 2.936 12.587 ( 3.446 0.000 -2.532) 4.276 12.770 ( 11.674 0.000 -8.877) 14.666 13.462 ( -5.352 0.000 -7.729) 9.401 13.714 ( 2.797 0.000 10.011) 10.394 14.902 ( -8.415 0.000 -2.876) 8.893 15.297 ( 8.519 0.000 7.295) 11.216 16.800 ( -26.481 0.000 13.487) 29.717 17.989 ( 23.701 0.000 -3.253) 23.923 18.350 ( -15.269 0.000 -0.742) 15.287 18.610 ( -1.207 0.000 0.071) 1.209 21.528 ( -23.687 0.000 15.941) 28.552 22.449 ( 13.781 0.000 -28.485) 31.643 23.619 ( -2.727 0.000 -10.569) 10.915 23.843 ( 5.252 0.000 11.453) 12.600 ======================= Grid point 462 (233/260) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.512 ( -0.240 0.000 6.020) 6.025 2.799 ( 2.493 0.000 6.320) 6.794 3.044 ( -6.252 0.000 -21.463) 22.355 3.693 ( -4.719 0.000 2.655) 5.414 3.761 ( -2.088 0.000 -6.771) 7.086 3.987 ( 10.707 0.000 -14.844) 18.303 5.448 ( -9.814 0.000 -12.267) 15.709 5.719 ( -4.174 0.000 10.733) 11.516 6.158 ( 9.920 0.000 3.863) 10.646 6.911 ( 2.475 0.000 7.888) 8.267 7.191 ( 9.843 0.000 -6.035) 11.546 7.357 ( 9.358 0.000 -1.854) 9.540 7.894 ( 4.397 0.000 13.743) 14.430 8.426 ( -3.766 0.000 10.042) 10.725 8.719 ( -14.514 0.000 -11.745) 18.671 9.125 ( 6.515 0.000 -6.473) 9.184 9.608 ( 3.524 0.000 6.859) 7.711 9.704 ( -5.842 0.000 5.586) 8.083 10.273 ( -3.237 0.000 -2.290) 3.965 10.619 ( -4.292 0.000 -13.330) 14.004 11.385 ( -2.141 0.000 12.808) 12.985 11.813 ( 0.689 0.000 -11.203) 11.224 12.692 ( 6.259 0.000 -4.927) 7.966 13.023 ( 12.140 0.000 -13.659) 18.274 13.385 ( -1.709 0.000 -4.493) 4.807 13.700 ( -4.444 0.000 7.182) 8.446 14.778 ( -2.963 0.000 2.547) 3.907 15.456 ( 6.264 0.000 8.507) 10.564 16.367 ( -15.389 0.000 12.946) 20.110 17.912 ( -26.602 0.000 -2.800) 26.749 18.331 ( 8.555 0.000 -2.617) 8.946 18.525 ( -6.645 0.000 -0.506) 6.665 21.175 ( -9.357 0.000 17.927) 20.222 22.561 ( -1.132 0.000 -32.357) 32.377 23.619 ( 3.071 0.000 -8.741) 9.264 23.942 ( 3.541 0.000 9.571) 10.205 ======================= Grid point 463 (234/260) ======================= q-point: ( 0.30 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.514 ( 0.064 0.000 8.367) 8.367 2.797 ( -1.568 0.000 -0.806) 1.763 2.880 ( -7.644 0.000 -28.130) 29.150 3.485 ( -12.445 0.000 -3.106) 12.827 3.923 ( 16.720 0.000 -0.373) 16.724 4.322 ( 18.942 0.000 -9.706) 21.284 5.295 ( -5.046 0.000 -9.359) 10.633 5.572 ( -10.932 0.000 11.198) 15.650 6.347 ( 7.787 0.000 11.725) 14.075 7.032 ( 8.201 0.000 2.740) 8.646 7.234 ( -2.868 0.000 -8.840) 9.294 7.579 ( 11.467 0.000 -2.185) 11.673 8.078 ( 9.816 0.000 6.038) 11.524 8.276 ( -9.418 0.000 14.182) 17.024 8.464 ( -8.150 0.000 -14.825) 16.917 9.238 ( -1.901 0.000 -6.122) 6.411 9.550 ( -3.145 0.000 12.520) 12.909 9.670 ( 2.241 0.000 14.231) 14.406 10.198 ( -4.625 0.000 -8.719) 9.870 10.432 ( -11.588 0.000 -13.628) 17.888 11.460 ( 7.122 0.000 19.475) 20.736 11.826 ( 1.062 0.000 -18.355) 18.385 12.837 ( 7.995 0.000 -6.705) 10.434 13.219 ( 6.285 0.000 -11.073) 12.733 13.376 ( 0.579 0.000 -0.427) 0.720 13.576 ( -6.232 0.000 1.978) 6.538 14.798 ( 5.056 0.000 4.766) 6.948 15.561 ( 3.080 0.000 9.433) 9.923 16.164 ( -5.331 0.000 9.268) 10.692 17.271 ( -33.302 0.000 -6.674) 33.964 18.355 ( -8.891 0.000 -0.302) 8.896 18.363 ( -3.827 0.000 -4.556) 5.950 21.170 ( 6.766 0.000 24.148) 25.078 22.413 ( -10.365 0.000 -31.750) 33.399 23.712 ( 5.641 0.000 -8.498) 10.199 23.995 ( 1.057 0.000 7.983) 8.053 ======================= Grid point 464 (235/260) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.530 ( 1.266 0.000 8.557) 8.650 2.689 ( -6.450 0.000 -7.030) 9.541 2.838 ( 4.012 0.000 -21.248) 21.624 3.215 ( -12.833 0.000 1.134) 12.883 4.363 ( 23.650 0.000 -0.572) 23.657 4.706 ( 17.434 0.000 -6.097) 18.469 5.190 ( -5.784 0.000 -4.999) 7.645 5.275 ( -17.793 0.000 8.291) 19.630 6.513 ( 8.219 0.000 14.657) 16.804 6.990 ( -11.328 0.000 -4.347) 12.134 7.354 ( 13.845 0.000 -7.439) 15.717 7.759 ( 2.197 0.000 1.086) 2.451 8.135 ( -1.448 0.000 12.039) 12.126 8.257 ( 8.200 0.000 -5.720) 9.998 8.369 ( -1.390 0.000 -13.348) 13.420 8.958 ( -19.454 0.000 7.937) 21.010 9.679 ( 10.108 0.000 8.357) 13.115 9.740 ( 4.136 0.000 19.376) 19.813 10.061 ( -7.535 0.000 -16.268) 17.928 10.172 ( -12.143 0.000 -9.772) 15.586 11.638 ( 7.671 0.000 23.054) 24.297 11.826 ( -0.334 0.000 -23.283) 23.286 13.009 ( 8.352 0.000 -6.020) 10.295 13.251 ( -2.330 0.000 -1.812) 2.951 13.397 ( 1.246 0.000 3.263) 3.493 13.483 ( -2.783 0.000 -4.693) 5.456 15.005 ( 14.562 0.000 1.508) 14.640 15.569 ( -3.952 0.000 9.147) 9.964 16.123 ( 0.521 0.000 6.555) 6.576 16.605 ( -27.605 0.000 -9.322) 29.136 18.194 ( -5.697 0.000 1.273) 5.837 18.238 ( -6.329 0.000 -4.793) 7.939 21.422 ( 14.901 0.000 28.159) 31.859 22.128 ( -14.989 0.000 -30.663) 34.130 23.828 ( 5.655 0.000 -7.955) 9.760 23.991 ( -1.821 0.000 7.261) 7.486 ======================= Grid point 465 (236/260) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.582 ( -3.462 0.000 -8.293) 8.986 2.582 ( 3.462 0.000 8.293) 8.986 2.976 ( 9.788 0.000 -10.678) 14.485 2.976 ( -9.788 0.000 10.678) 14.485 4.853 ( -22.640 0.000 4.110) 23.010 4.853 ( 22.640 0.000 -4.110) 23.010 5.012 ( -11.658 0.000 0.949) 11.697 5.012 ( 11.658 0.000 -0.949) 11.697 6.729 ( -11.929 0.000 -10.825) 16.109 6.729 ( 11.929 0.000 10.825) 16.109 7.630 ( 11.678 0.000 -7.104) 13.669 7.630 ( -11.678 0.000 7.104) 13.669 8.239 ( -6.810 0.000 -8.775) 11.108 8.239 ( 6.810 0.000 8.775) 11.108 8.559 ( 17.517 0.000 -11.335) 20.864 8.559 ( -17.517 0.000 11.335) 20.864 9.854 ( -2.137 0.000 -2.197) 3.065 9.854 ( 2.137 0.000 2.197) 3.065 9.943 ( 5.929 0.000 -9.286) 11.017 9.943 ( -5.929 0.000 9.286) 11.017 11.773 ( -3.839 0.000 -24.916) 25.210 11.773 ( 3.839 0.000 24.916) 25.210 13.160 ( 6.067 0.000 -3.304) 6.908 13.160 ( -6.067 0.000 3.304) 6.908 13.432 ( -1.985 0.000 -5.544) 5.889 13.432 ( 1.985 0.000 5.544) 5.889 15.354 ( -16.438 0.000 4.288) 16.988 15.354 ( 16.438 0.000 -4.288) 16.988 16.212 ( -9.454 0.000 -7.458) 12.041 16.212 ( 9.454 0.000 7.458) 12.041 18.147 ( -1.330 0.000 -3.400) 3.651 18.147 ( 1.330 0.000 3.400) 3.651 21.776 ( -16.824 0.000 -29.797) 34.219 21.776 ( 16.824 0.000 29.797) 34.219 23.930 ( 4.306 0.000 -7.355) 8.523 23.930 ( -4.306 0.000 7.355) 8.523 ======================= Grid point 471 (237/260) ======================= q-point: ( 0.00 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.593 ( -2.264 2.304 -8.718) 9.297 2.593 ( 2.264 2.304 8.718) 9.297 3.482 ( -5.626 9.601 -12.670) 16.863 3.482 ( 5.626 9.601 12.670) 16.863 4.118 ( 4.379 8.107 -4.318) 10.176 4.118 ( -4.379 8.107 4.318) 10.176 5.822 ( 3.066 0.882 -4.907) 5.853 5.822 ( -3.066 0.882 4.907) 5.853 6.248 ( -25.285 3.780 -5.637) 26.180 6.248 ( 25.285 3.780 5.637) 26.180 7.091 ( 0.679 1.076 -10.195) 10.274 7.091 ( -0.679 1.076 10.195) 10.274 8.126 ( 14.643 -0.670 -7.753) 16.583 8.126 ( -14.643 -0.670 7.753) 16.583 9.096 ( 0.647 -6.637 -10.222) 12.205 9.096 ( -0.647 -6.637 10.222) 12.205 9.591 ( 3.338 4.747 -10.256) 11.784 9.591 ( -3.338 4.747 10.256) 11.784 10.499 ( 5.286 -0.603 -5.370) 7.559 10.499 ( -5.286 -0.603 5.370) 7.559 11.747 ( -5.277 2.156 -6.125) 8.367 11.747 ( 5.277 2.156 6.125) 8.367 12.578 ( 3.036 -1.159 -4.039) 5.184 12.578 ( -3.036 -1.159 4.039) 5.184 13.720 ( -4.975 11.537 -11.987) 17.365 13.720 ( 4.975 11.537 11.987) 17.365 15.069 ( -8.431 -3.108 -7.134) 11.474 15.069 ( 8.431 -3.108 7.134) 11.474 17.321 ( -7.303 -8.740 -3.349) 11.872 17.321 ( 7.303 -8.740 3.349) 11.872 18.550 ( 0.148 -1.297 -2.364) 2.700 18.550 ( -0.148 -1.297 2.364) 2.700 22.006 ( 23.367 -3.664 -18.187) 29.837 22.006 ( -23.367 -3.664 18.187) 29.837 23.764 ( -5.051 4.052 -10.025) 11.935 23.764 ( 5.051 4.052 10.025) 11.935 ======================= Grid point 473 (238/260) ======================= q-point: ( 0.10 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.567 ( -0.012 4.265 -1.580) 4.549 2.681 ( 5.043 -0.077 9.906) 11.116 3.330 ( -6.804 12.578 -13.767) 19.850 3.627 ( 6.068 3.843 5.995) 9.356 3.960 ( -9.538 5.877 -3.411) 11.711 4.126 ( -2.338 11.923 -12.005) 17.081 5.761 ( -12.805 1.656 -11.764) 17.467 5.807 ( -6.408 3.862 9.474) 12.072 5.937 ( 7.767 -0.441 -0.724) 7.814 6.764 ( 20.478 2.564 0.126) 20.638 7.004 ( -1.213 -0.116 6.303) 6.420 7.228 ( 7.927 3.267 1.511) 8.706 7.862 ( -9.879 -6.250 9.973) 15.366 8.404 ( 9.509 3.386 -1.143) 10.159 8.879 ( -9.405 -9.264 -5.245) 14.205 9.183 ( -0.959 3.171 -3.319) 4.690 9.556 ( 2.313 3.709 7.844) 8.980 9.676 ( 1.856 -1.896 -2.964) 3.978 10.390 ( -4.717 1.624 2.597) 5.624 10.609 ( 4.817 -0.483 -8.458) 9.745 11.562 ( -10.012 3.234 -1.015) 10.570 11.820 ( 1.256 1.701 -0.973) 2.327 12.572 ( 3.297 -1.570 -0.951) 3.773 12.743 ( 10.574 -1.916 -7.753) 13.251 13.597 ( -5.036 12.475 -9.140) 16.264 13.798 ( 0.561 8.122 10.449) 13.247 14.908 ( -6.114 0.706 -4.671) 7.726 15.246 ( 7.818 -5.110 8.026) 12.315 16.720 ( -26.228 -7.908 14.223) 30.866 17.903 ( 23.455 -9.512 -2.233) 25.408 18.332 ( -14.830 -1.092 0.791) 14.891 18.597 ( -1.160 -1.172 -2.771) 3.224 21.513 ( -22.264 -0.998 13.389) 25.999 22.400 ( 13.870 -4.725 -26.303) 30.109 23.651 ( -3.903 2.842 -6.106) 7.784 23.884 ( 4.868 3.805 7.855) 9.994 ======================= Grid point 474 (239/260) ======================= q-point: ( 0.20 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.574 ( 0.319 5.906 4.497) 7.430 2.775 ( 2.481 -2.072 5.544) 6.418 3.189 ( -6.510 13.812 -20.400) 25.482 3.637 ( -6.595 -2.715 0.666) 7.163 3.845 ( 0.567 6.316 -3.091) 7.055 4.117 ( 5.768 11.260 -15.007) 19.628 5.469 ( -10.561 1.914 -8.547) 13.720 5.764 ( -3.826 4.116 8.790) 10.433 6.127 ( 9.617 -2.050 5.939) 11.487 6.911 ( 1.855 -0.028 4.092) 4.493 7.187 ( 10.622 -0.723 -6.434) 12.440 7.403 ( 6.774 4.308 -1.149) 8.110 7.787 ( 3.845 -9.924 16.228) 19.407 8.389 ( -9.416 -3.509 4.048) 10.834 8.764 ( -4.094 4.490 -9.678) 11.428 9.186 ( 4.295 5.028 -4.820) 8.183 9.575 ( -4.857 -2.792 7.993) 9.761 9.696 ( 2.933 -0.678 5.292) 6.089 10.300 ( -4.479 2.647 -1.786) 5.500 10.660 ( -0.394 3.698 -13.624) 14.123 11.405 ( -3.477 2.448 8.746) 9.725 11.834 ( 0.819 1.994 -8.777) 9.038 12.682 ( 6.881 -1.148 -4.081) 8.082 12.963 ( 10.003 -4.375 -9.381) 14.394 13.520 ( -1.847 11.466 -7.177) 13.652 13.739 ( -6.214 3.729 6.758) 9.909 14.827 ( -1.413 5.018 0.651) 5.254 15.393 ( 5.781 -6.274 8.986) 12.391 16.291 ( -15.273 -7.246 14.163) 22.054 17.867 ( -25.430 -5.326 -0.616) 25.989 18.296 ( 9.551 -3.066 -1.940) 10.217 18.513 ( -6.374 -1.033 -3.324) 7.263 21.179 ( -9.035 0.928 15.921) 18.330 22.522 ( -0.607 -3.991 -31.983) 32.236 23.622 ( 1.608 0.254 -3.694) 4.036 23.967 ( 2.709 2.459 6.505) 7.464 ======================= Grid point 475 (240/260) ======================= q-point: ( 0.30 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.578 ( -0.264 6.307 7.813) 10.045 2.784 ( -0.995 -1.293 0.712) 1.780 3.007 ( -8.684 12.206 -29.029) 32.666 3.461 ( -10.242 -1.487 -0.753) 10.377 3.983 ( 14.108 4.910 -0.681) 14.954 4.356 ( 15.602 2.931 -10.840) 19.223 5.297 ( -6.487 0.030 -5.000) 8.190 5.615 ( -11.095 3.846 8.476) 14.482 6.317 ( 7.908 -2.530 11.839) 14.461 7.020 ( 7.863 -0.910 -0.070) 7.916 7.240 ( -3.858 0.347 -8.067) 8.949 7.578 ( 12.093 -1.398 2.500) 12.427 7.950 ( 5.550 -10.389 11.472) 16.442 8.194 ( -5.529 -2.486 -4.968) 7.838 8.627 ( -7.457 9.900 -7.262) 14.365 9.201 ( -9.634 -4.471 2.547) 10.921 9.517 ( 4.952 1.778 5.015) 7.268 9.772 ( 3.353 4.909 12.916) 14.219 10.182 ( -6.629 1.949 -4.826) 8.428 10.567 ( -7.124 10.687 -14.723) 19.538 11.447 ( 5.986 -0.520 14.042) 15.274 11.847 ( 0.782 1.711 -14.138) 14.262 12.843 ( 8.537 0.325 -5.176) 9.989 13.120 ( 5.015 -6.669 -5.822) 10.175 13.507 ( 0.485 9.187 -5.029) 10.484 13.592 ( -6.802 1.939 1.414) 7.213 14.851 ( 3.845 5.206 3.526) 7.370 15.487 ( 2.389 -7.436 9.467) 12.273 16.093 ( -4.919 -6.470 10.376) 13.180 17.257 ( -31.182 -1.643 -4.827) 31.596 18.338 ( -6.576 -1.733 -0.660) 6.833 18.378 ( -3.698 1.415 -5.260) 6.584 21.165 ( 5.917 -0.056 22.685) 23.445 22.378 ( -10.416 -3.568 -32.293) 34.118 23.695 ( 4.942 -1.700 -3.872) 6.504 24.001 ( 0.169 0.576 5.318) 5.352 ======================= Grid point 476 (241/260) ======================= q-point: ( 0.40 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.581 ( 0.573 5.192 8.218) 9.738 2.723 ( -5.210 2.564 -2.468) 6.310 2.905 ( 1.905 7.128 -25.089) 26.151 3.228 ( -11.454 1.329 2.489) 11.797 4.377 ( 21.931 1.059 -0.709) 21.968 4.693 ( 16.310 -1.859 -7.394) 18.004 5.148 ( -9.238 -3.085 0.961) 9.787 5.326 ( -16.008 3.486 4.008) 16.866 6.485 ( 8.435 -2.487 12.975) 15.674 6.974 ( -11.805 -1.526 -3.101) 12.300 7.344 ( 13.900 -0.718 -6.891) 15.531 7.796 ( 0.828 3.434 0.880) 3.641 7.971 ( 5.950 -11.978 9.071) 16.160 8.242 ( 6.868 -1.424 -7.552) 10.307 8.473 ( -6.697 6.496 -10.242) 13.855 8.880 ( -18.337 -6.723 10.689) 22.265 9.671 ( 6.852 3.085 3.721) 8.385 9.852 ( 2.478 2.712 7.732) 8.561 10.060 ( -2.523 9.100 4.269) 10.363 10.378 ( -9.801 14.594 -15.664) 23.546 11.612 ( 7.928 -1.871 15.190) 17.236 11.837 ( -1.401 0.554 -16.299) 16.368 13.014 ( 7.545 0.348 -3.808) 8.458 13.166 ( -0.025 -6.082 -0.172) 6.084 13.492 ( -2.412 2.674 -3.085) 4.741 13.509 ( -0.580 6.749 -1.493) 6.936 15.006 ( 11.006 -0.033 1.127) 11.063 15.474 ( -4.959 -9.436 7.830) 13.226 16.078 ( 2.946 -3.379 7.867) 9.054 16.643 ( -25.612 3.022 -7.467) 26.849 18.202 ( -4.621 0.811 1.332) 4.877 18.270 ( -5.915 3.056 -5.465) 8.614 21.399 ( 14.107 -2.138 27.465) 30.949 22.090 ( -15.065 -3.787 -31.083) 34.748 23.805 ( 5.462 -2.330 -4.292) 7.327 23.979 ( -2.418 -1.103 4.645) 5.352 ======================= Grid point 477 (242/260) ======================= q-point: ( 0.50 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.624 ( -3.050 4.214 -8.323) 9.815 2.624 ( 3.050 4.214 8.323) 9.815 3.016 ( 8.237 3.762 -11.785) 14.862 3.016 ( -8.237 3.762 11.785) 14.862 4.828 ( -15.184 -3.393 1.154) 15.601 4.828 ( 15.184 -3.393 -1.154) 15.601 5.018 ( -12.174 0.767 1.391) 12.277 5.018 ( 12.174 0.767 -1.391) 12.277 6.706 ( -12.067 -2.058 -8.747) 15.045 6.706 ( 12.067 -2.058 8.747) 15.045 7.629 ( 3.124 0.011 -4.765) 5.698 7.629 ( -3.124 0.011 4.765) 5.698 8.214 ( -10.944 -2.579 -10.683) 15.510 8.214 ( 10.944 -2.579 10.683) 15.510 8.527 ( 13.117 -2.518 -11.425) 17.576 8.527 ( -13.117 -2.518 11.425) 17.576 9.799 ( -4.440 -0.037 -9.444) 10.436 9.799 ( 4.440 -0.037 9.444) 10.436 10.164 ( -8.164 16.047 -20.809) 27.516 10.164 ( 8.164 16.047 20.809) 27.516 11.761 ( -3.666 -1.125 -22.250) 22.578 11.761 ( 3.666 -1.125 22.250) 22.578 13.130 ( 0.927 -2.776 -4.022) 4.974 13.130 ( -0.927 -2.776 4.022) 4.974 13.484 ( 0.735 4.733 -4.835) 6.805 13.484 ( -0.735 4.733 4.835) 6.805 15.276 ( -1.283 -7.500 -8.072) 11.093 15.276 ( 1.283 -7.500 8.072) 11.093 16.238 ( -12.480 2.451 -8.157) 15.109 16.238 ( 12.480 2.451 8.157) 15.109 18.175 ( -1.921 2.751 -4.199) 5.375 18.175 ( 1.921 2.751 4.199) 5.375 21.741 ( -16.339 -3.485 -30.094) 34.421 21.741 ( 16.339 -3.485 30.094) 34.421 23.908 ( 2.112 -2.105 -7.307) 7.892 23.908 ( -2.112 -2.105 7.307) 7.892 ======================= Grid point 483 (243/260) ======================= q-point: ( 0.00 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.653 ( -1.770 3.543 -7.358) 8.356 2.653 ( 1.770 3.543 7.358) 8.356 3.681 ( -2.248 9.225 -15.034) 17.781 3.681 ( 2.248 9.225 15.034) 17.781 4.357 ( 7.465 15.816 -9.035) 19.685 4.357 ( -7.465 15.816 9.035) 19.685 5.864 ( 3.089 3.838 -4.055) 6.381 5.864 ( -3.089 3.838 4.055) 6.381 6.343 ( -22.463 5.233 0.659) 23.074 6.343 ( 22.463 5.233 -0.659) 23.074 7.112 ( -4.437 0.815 -12.479) 13.270 7.112 ( 4.437 0.815 12.479) 13.270 8.102 ( -16.128 -1.612 4.393) 16.793 8.102 ( 16.128 -1.612 -4.393) 16.793 8.928 ( -8.380 -10.104 -4.634) 13.921 8.928 ( 8.380 -10.104 4.634) 13.921 9.709 ( -1.683 6.998 -9.671) 12.056 9.709 ( 1.683 6.998 9.671) 12.056 10.482 ( 4.750 -1.042 -8.016) 9.376 10.482 ( -4.750 -1.042 8.016) 9.376 11.809 ( -4.409 4.013 -10.803) 12.339 11.809 ( 4.409 4.013 10.803) 12.339 12.559 ( 5.196 -0.610 -6.649) 8.461 12.559 ( -5.196 -0.610 6.649) 8.461 14.005 ( -2.361 16.220 -17.204) 23.762 14.005 ( 2.361 16.220 17.204) 23.762 14.994 ( -4.448 -3.982 -10.474) 12.055 14.994 ( 4.448 -3.982 10.474) 12.055 17.072 ( -1.463 -16.189 -9.657) 18.907 17.072 ( 1.463 -16.189 9.657) 18.907 18.524 ( 5.843 -1.118 -5.195) 7.898 18.524 ( -5.843 -1.118 5.195) 7.898 21.929 ( 19.072 -3.528 -12.650) 23.156 21.929 ( -19.072 -3.528 12.650) 23.156 23.855 ( -4.343 4.719 -5.926) 8.732 23.855 ( 4.343 4.719 5.926) 8.732 ======================= Grid point 485 (244/260) ======================= q-point: ( 0.10 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.639 ( 0.918 1.452 -3.217) 3.647 2.719 ( 3.415 5.007 6.983) 9.246 3.608 ( -3.563 11.906 -17.122) 21.157 3.705 ( -1.295 6.061 10.506) 12.198 4.161 ( -9.938 14.051 2.563) 17.400 4.411 ( -1.862 15.702 -15.176) 21.917 5.778 ( -6.906 1.088 -1.392) 7.128 5.894 ( -11.563 4.341 13.106) 18.009 6.011 ( 5.854 7.968 -5.861) 11.494 6.808 ( 17.219 1.355 -1.909) 17.377 6.993 ( -3.066 -1.181 -4.047) 5.213 7.306 ( 12.145 3.588 7.826) 14.887 7.712 ( -16.096 -7.575 7.820) 19.432 8.460 ( 5.503 1.029 1.925) 5.920 8.708 ( 0.062 -7.294 -9.101) 11.663 9.172 ( 8.476 -4.043 1.429) 9.499 9.623 ( -4.426 0.421 -4.340) 6.213 9.702 ( -2.747 7.471 9.288) 12.232 10.411 ( -2.703 -0.291 2.449) 3.659 10.610 ( 7.439 1.078 -10.756) 13.122 11.656 ( -8.545 6.283 -7.282) 12.866 11.871 ( 1.289 3.481 3.130) 4.855 12.531 ( 2.331 -2.392 2.648) 4.262 12.715 ( 8.960 -0.952 -6.599) 11.168 13.889 ( -6.255 15.948 -10.440) 20.061 13.996 ( -5.046 10.980 10.300) 15.878 14.941 ( -0.016 2.755 -8.618) 9.048 15.114 ( 5.943 -7.450 10.021) 13.829 16.513 ( -24.344 -12.482 15.978) 31.681 17.608 ( 20.198 -19.940 -0.434) 28.386 18.328 ( -11.597 0.659 1.705) 11.740 18.571 ( -1.127 -1.479 -6.455) 6.718 21.514 ( -18.382 1.463 8.823) 20.442 22.284 ( 13.099 -6.569 -21.715) 26.197 23.712 ( -6.378 2.972 0.199) 7.039 23.973 ( 4.179 4.776 3.119) 7.071 ======================= Grid point 486 (245/260) ======================= q-point: ( 0.20 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.678 ( 2.575 0.782 0.544) 2.745 2.774 ( 0.974 5.392 4.904) 7.353 3.506 ( -6.461 13.290 -23.374) 27.653 3.623 ( -6.418 4.914 7.340) 10.918 4.011 ( -3.199 10.662 -0.962) 11.173 4.339 ( -1.360 9.784 -14.886) 17.865 5.509 ( -12.496 1.828 0.788) 12.654 5.840 ( -2.718 2.341 6.976) 7.844 6.143 ( 6.324 5.083 5.479) 9.790 6.907 ( 1.174 -0.543 -2.651) 2.950 7.142 ( 11.398 -4.629 -2.869) 12.632 7.442 ( -8.947 -5.550 6.813) 12.541 7.624 ( 14.345 -0.259 5.474) 15.356 8.317 ( -9.308 -3.005 -1.791) 9.943 8.857 ( 2.529 3.415 -8.861) 9.827 9.279 ( 1.850 4.402 4.529) 6.582 9.502 ( -4.796 -4.749 5.275) 8.566 9.725 ( 5.018 4.738 5.085) 8.572 10.350 ( -3.339 1.425 -2.199) 4.244 10.750 ( 5.569 5.465 -12.896) 15.073 11.498 ( -5.150 7.318 0.898) 8.993 11.885 ( 0.226 3.018 -4.567) 5.478 12.642 ( 7.814 -3.070 -1.423) 8.515 12.887 ( 7.193 -3.308 -5.414) 9.592 13.757 ( -6.313 10.772 -2.145) 12.668 13.839 ( -8.425 7.011 -0.593) 10.977 14.959 ( 1.253 7.068 -3.747) 8.098 15.231 ( 4.395 -9.014 9.547) 13.846 16.120 ( -13.748 -8.975 17.798) 24.214 17.673 ( -16.276 -14.506 3.413) 22.068 18.240 ( 5.226 -2.124 -2.578) 6.203 18.493 ( -5.075 -0.858 -6.716) 8.461 21.231 ( -8.413 4.583 12.064) 15.405 22.411 ( 0.090 -6.970 -30.662) 31.444 23.623 ( -1.645 -0.290 4.222) 4.540 24.027 ( 0.949 3.371 2.303) 4.192 ======================= Grid point 487 (246/260) ======================= q-point: ( 0.30 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.731 ( 1.901 4.279 5.191) 6.991 2.764 ( -1.359 3.921 0.899) 4.246 3.292 ( -11.113 13.407 -27.084) 32.199 3.466 ( -9.113 4.383 2.927) 10.527 4.082 ( 10.183 4.927 -0.520) 11.325 4.399 ( 7.474 0.444 -11.383) 13.625 5.286 ( -9.732 -1.509 3.390) 10.415 5.682 ( -12.423 1.612 5.747) 13.782 6.281 ( 6.407 -0.388 9.018) 11.069 7.008 ( 7.708 -0.121 -4.647) 9.001 7.234 ( -6.158 -1.305 -0.945) 6.365 7.445 ( 13.458 -11.010 7.902) 19.099 7.850 ( 5.480 0.796 -1.319) 5.692 8.191 ( -1.549 2.073 -4.937) 5.574 8.765 ( -8.181 3.194 -6.515) 10.935 9.092 ( -16.013 -5.231 7.490) 18.436 9.623 ( 10.192 7.435 2.654) 12.892 9.839 ( 4.510 3.806 6.797) 9.001 10.287 ( -1.612 6.516 0.711) 6.750 10.789 ( -1.568 11.485 -14.563) 18.613 11.477 ( 2.917 4.191 6.575) 8.325 11.877 ( -0.749 1.205 -9.332) 9.439 12.832 ( 9.708 -2.386 -1.199) 10.068 12.999 ( 3.850 -5.031 -3.711) 7.342 13.604 ( -7.064 1.892 2.613) 7.766 13.723 ( -2.928 9.466 -8.160) 12.836 14.972 ( 0.270 5.514 0.279) 5.528 15.287 ( 0.020 -11.865 7.453) 14.012 15.964 ( -2.111 -5.058 15.235) 16.191 17.199 ( -25.306 -4.250 -1.055) 25.682 18.286 ( -2.880 -3.497 -1.256) 4.701 18.413 ( -1.763 1.888 -6.545) 7.037 21.186 ( 3.039 2.571 19.297) 19.703 22.276 ( -10.471 -6.770 -33.397) 35.648 23.647 ( 3.245 -3.077 4.667) 6.463 24.017 ( -1.927 1.029 1.062) 2.429 ======================= Grid point 488 (247/260) ======================= q-point: ( 0.40 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.728 ( -0.681 9.331 5.293) 10.750 2.771 ( 0.142 2.539 1.619) 3.015 3.098 ( -4.499 11.245 -25.058) 27.831 3.267 ( -9.441 3.036 4.403) 10.850 4.379 ( 16.625 -1.614 -0.526) 16.711 4.606 ( 11.876 -7.428 -9.236) 16.778 5.081 ( -10.110 -3.669 5.542) 12.099 5.369 ( -16.952 -0.008 4.055) 17.431 6.435 ( 8.733 -2.118 7.317) 11.588 6.943 ( -12.345 -1.236 0.383) 12.413 7.340 ( 14.631 0.551 -4.259) 15.248 7.745 ( 8.758 -9.606 0.752) 13.021 7.883 ( 3.782 4.677 1.946) 6.322 8.225 ( 2.969 0.092 -5.742) 6.465 8.568 ( -9.672 2.925 -7.536) 12.605 8.741 ( -16.629 -6.739 10.466) 20.772 9.785 ( 5.131 7.628 0.531) 9.208 9.894 ( 0.273 3.934 -0.307) 3.956 10.331 ( 5.721 14.661 14.624) 21.483 10.683 ( -7.164 16.049 -16.111) 23.842 11.594 ( 6.897 0.509 7.790) 10.417 11.835 ( -2.991 -0.655 -10.381) 10.823 12.999 ( 5.216 -3.963 4.590) 7.999 13.053 ( 1.796 -3.573 -4.456) 5.988 13.526 ( 0.234 1.589 -3.723) 4.054 13.667 ( -2.782 7.725 -2.946) 8.723 14.994 ( 2.452 -1.638 0.851) 3.069 15.227 ( -5.765 -14.644 3.722) 16.173 16.038 ( 8.166 0.043 12.358) 14.813 16.697 ( -21.938 2.192 -4.730) 22.549 18.222 ( -1.499 1.072 1.566) 2.419 18.345 ( -4.614 4.250 -6.638) 9.134 21.354 ( 11.209 -2.067 25.585) 28.009 21.985 ( -14.971 -6.795 -32.071) 36.040 23.741 ( 5.185 -3.932 3.103) 7.209 23.953 ( -4.073 -1.438 -0.274) 4.329 ======================= Grid point 489 (248/260) ======================= q-point: ( 0.50 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.743 ( -0.598 7.795 -8.123) 11.274 2.743 ( 0.598 7.795 8.123) 11.274 3.108 ( 5.505 5.254 -13.314) 15.335 3.108 ( -5.505 5.254 13.314) 15.335 4.692 ( -6.519 -10.590 -2.776) 12.742 4.692 ( 6.519 -10.590 2.776) 12.742 5.036 ( -7.928 0.517 -0.830) 7.988 5.036 ( 7.928 0.517 0.830) 7.988 6.666 ( -12.778 -1.529 -3.006) 13.215 6.666 ( 12.778 -1.529 3.006) 13.215 7.637 ( -8.470 1.007 -1.846) 8.727 7.637 ( 8.470 1.007 1.846) 8.727 8.151 ( -12.605 -3.372 -10.036) 16.462 8.151 ( 12.605 -3.372 10.036) 16.462 8.487 ( 5.167 -1.307 -10.914) 12.146 8.487 ( -5.167 -1.307 10.914) 12.146 9.863 ( -1.904 5.894 -4.567) 7.696 9.863 ( 1.904 5.894 4.567) 7.696 10.502 ( -8.730 17.468 -18.654) 27.005 10.502 ( 8.730 17.468 18.654) 27.005 11.737 ( -3.432 -1.071 -16.478) 16.865 11.737 ( 3.432 -1.071 16.478) 16.865 13.059 ( -1.044 -4.293 -6.616) 7.955 13.059 ( 1.044 -4.293 6.616) 7.955 13.589 ( 4.447 5.278 -2.752) 7.430 13.589 ( -4.447 5.278 2.752) 7.430 15.089 ( -0.245 -10.781 -13.214) 17.055 15.089 ( 0.245 -10.781 13.214) 17.055 16.298 ( -15.615 3.446 -9.034) 18.366 16.298 ( 15.615 3.446 9.034) 18.366 18.247 ( -3.346 4.312 -5.415) 7.689 18.247 ( 3.346 4.312 5.415) 7.689 21.649 ( -14.475 -5.530 -31.021) 34.676 21.649 ( 14.475 -5.530 31.021) 34.676 23.854 ( -2.011 -3.253 -7.482) 8.403 23.854 ( 2.011 -3.253 7.482) 8.403 ======================= Grid point 495 (249/260) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.718 ( -3.747 2.819 -4.430) 6.451 2.718 ( 3.747 2.819 4.430) 6.451 3.819 ( -4.032 4.871 -15.427) 16.673 3.819 ( 4.032 4.872 15.427) 16.673 4.687 ( 6.683 16.197 -12.576) 21.567 4.687 ( -6.683 16.197 12.576) 21.567 5.975 ( 6.908 7.068 -9.381) 13.626 5.975 ( -6.908 7.068 9.381) 13.626 6.427 ( -3.402 2.874 -3.127) 5.442 6.427 ( 3.402 2.874 3.127) 5.442 7.113 ( -7.394 -0.838 -9.877) 12.366 7.113 ( 7.394 -0.838 9.877) 12.366 8.076 ( -18.543 -0.674 3.902) 18.961 8.076 ( 18.543 -0.674 -3.902) 18.961 8.719 ( -13.990 -10.538 -4.616) 18.113 8.719 ( 13.990 -10.538 4.616) 18.113 9.851 ( -5.804 6.949 -4.208) 9.984 9.851 ( 5.804 6.949 4.208) 9.984 10.458 ( 3.321 -1.402 -8.393) 9.135 10.458 ( -3.321 -1.402 8.393) 9.135 11.894 ( -3.295 4.349 -14.225) 15.236 11.894 ( 3.295 4.349 14.225) 15.236 12.554 ( 6.276 -0.031 -7.344) 9.660 12.554 ( -6.276 -0.031 7.344) 9.660 14.295 ( 1.226 11.737 -21.582) 24.597 14.295 ( -1.226 11.737 21.582) 24.597 14.947 ( 2.358 0.264 -12.954) 13.170 14.947 ( -2.358 0.264 12.954) 13.170 16.725 ( 5.445 -17.990 -14.308) 23.622 16.725 ( -5.445 -17.990 14.308) 23.622 18.509 ( 5.009 -0.448 -5.969) 7.806 18.509 ( -5.009 -0.448 5.969) 7.806 21.879 ( 13.534 -1.569 -8.382) 15.997 21.879 ( -13.534 -1.569 8.382) 15.997 23.934 ( -5.267 3.119 -2.475) 6.602 23.934 ( 5.267 3.119 2.475) 6.602 ======================= Grid point 497 (250/260) ======================= q-point: ( 0.10 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.648 ( -1.687 0.083 -1.925) 2.561 2.825 ( 4.981 4.693 2.922) 7.441 3.707 ( -5.230 2.442 -15.257) 16.312 3.899 ( 2.134 8.877 11.037) 14.324 4.476 ( -12.094 16.884 6.396) 21.731 4.688 ( -6.352 11.678 -18.147) 22.495 5.846 ( -5.579 5.471 6.322) 10.051 5.954 ( -17.469 1.667 16.669) 24.204 6.210 ( 8.912 11.450 -10.638) 17.991 6.796 ( 11.996 -2.842 0.203) 12.330 6.955 ( -6.513 -2.799 -9.052) 11.497 7.294 ( 7.800 -4.996 9.178) 13.040 7.658 ( -11.966 2.762 2.073) 12.455 8.414 ( -6.240 -4.530 0.273) 7.716 8.618 ( 18.023 -2.679 -11.711) 21.660 9.057 ( 16.579 -6.654 9.080) 20.040 9.641 ( -12.829 1.739 0.837) 12.974 9.884 ( -1.929 10.027 4.447) 11.137 10.363 ( -2.433 -4.422 -0.487) 5.071 10.653 ( 10.831 2.691 -9.685) 14.776 11.798 ( -5.071 7.737 -13.885) 16.684 11.946 ( 0.964 3.713 7.192) 8.151 12.483 ( -0.148 -2.538 6.158) 6.662 12.700 ( 7.301 -0.676 -5.554) 9.198 14.154 ( -11.070 8.637 11.179) 17.948 14.207 ( -8.001 11.353 -15.730) 20.985 14.915 ( 0.456 -6.505 7.865) 10.217 15.090 ( 7.501 6.431 -5.111) 11.124 16.274 ( -18.808 -10.558 19.161) 28.850 17.174 ( 17.470 -22.681 -1.865) 28.689 18.350 ( -9.261 1.363 2.157) 9.606 18.542 ( -1.324 -1.435 -7.871) 8.109 21.568 ( -13.519 3.692 5.795) 15.165 22.161 ( 10.808 -5.564 -17.828) 21.577 23.757 ( -8.728 1.641 3.205) 9.441 24.055 ( 3.749 3.408 1.396) 5.255 ======================= Grid point 498 (251/260) ======================= q-point: ( 0.20 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.649 ( 1.791 -1.890 -0.520) 2.656 2.910 ( 2.768 5.945 2.515) 7.023 3.577 ( -6.952 1.773 -15.844) 17.393 3.903 ( -2.664 14.354 5.321) 15.539 4.246 ( -9.396 12.705 1.574) 15.881 4.476 ( -9.778 4.838 -16.462) 19.748 5.534 ( -16.564 0.836 9.538) 19.132 5.833 ( -4.827 -3.190 10.275) 11.792 6.313 ( 0.113 10.844 -0.063) 10.845 6.881 ( 2.454 -2.371 -6.278) 7.145 6.991 ( 8.861 -9.539 0.387) 13.025 7.302 ( -4.139 -4.808 6.698) 9.226 7.710 ( 10.829 5.057 -5.373) 13.104 8.296 ( -3.066 1.075 -0.676) 3.319 8.857 ( 1.318 -3.196 -8.057) 8.767 9.354 ( -13.293 0.461 4.135) 13.929 9.430 ( 17.186 0.725 13.037) 21.584 9.866 ( 2.024 8.627 0.595) 8.881 10.331 ( -0.656 -3.440 -3.782) 5.154 10.864 ( 9.348 5.675 -10.883) 15.428 11.685 ( -4.740 11.218 -5.942) 13.551 11.943 ( -1.216 2.716 -1.712) 3.433 12.556 ( 6.449 -5.778 3.039) 9.176 12.834 ( 5.789 -1.943 -3.833) 7.210 13.890 ( -13.796 4.464 10.240) 17.752 14.022 ( -7.764 9.342 -15.076) 19.361 14.931 ( 0.106 -9.825 8.580) 13.044 15.195 ( 2.056 4.633 -7.491) 9.045 15.999 ( -8.401 -1.854 24.161) 25.647 17.339 ( -3.430 -18.055 3.477) 18.704 18.213 ( -2.188 -0.832 -1.937) 3.038 18.479 ( -3.084 -0.603 -8.248) 8.826 21.350 ( -7.575 6.901 9.449) 13.938 22.266 ( -0.236 -7.332 -29.274) 30.179 23.611 ( -4.748 -0.823 8.785) 10.020 24.088 ( -0.598 2.591 0.682) 2.745 ======================= Grid point 499 (252/260) ======================= q-point: ( 0.30 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.712 ( 4.032 -1.334 -0.225) 4.253 2.943 ( 0.467 8.444 4.543) 9.600 3.399 ( -8.758 2.401 -13.886) 16.592 3.730 ( -13.934 17.255 -8.522) 23.760 4.166 ( 2.962 3.055 1.834) 4.633 4.362 ( -0.549 -3.461 -9.746) 10.357 5.233 ( -13.080 -3.382 9.719) 16.643 5.633 ( -14.190 -6.841 9.237) 18.262 6.309 ( 1.510 2.721 2.527) 4.009 7.017 ( 9.088 0.847 -7.361) 11.726 7.166 ( -0.627 -5.395 11.633) 12.838 7.297 ( 11.832 -2.438 -9.135) 15.145 7.900 ( 6.620 3.067 -4.906) 8.792 8.269 ( -0.345 5.426 0.130) 5.438 8.740 ( -9.119 -4.851 3.159) 10.802 9.027 ( -17.447 -1.654 -0.915) 17.549 9.766 ( 12.182 6.621 6.156) 15.170 9.958 ( 4.785 8.126 1.463) 9.543 10.364 ( 5.372 0.559 -0.360) 5.413 11.002 ( 3.694 9.734 -11.247) 15.326 11.614 ( -1.571 9.087 2.029) 9.443 11.898 ( -2.742 1.245 -8.052) 8.597 12.718 ( 7.783 -8.633 4.143) 12.340 12.949 ( 5.673 -0.512 -4.007) 6.964 13.637 ( -9.677 1.624 4.223) 10.682 13.886 ( -4.801 6.760 -9.721) 12.777 14.918 ( -1.830 -11.752 10.813) 16.074 15.156 ( -5.006 -0.293 -11.259) 12.325 15.944 ( 1.608 3.144 23.159) 23.426 17.099 ( -16.664 -5.536 1.899) 17.662 18.211 ( 0.515 -3.767 -1.369) 4.041 18.444 ( -0.094 1.224 -7.585) 7.683 21.267 ( -0.912 5.348 16.474) 17.344 22.127 ( -10.608 -7.893 -34.799) 37.226 23.585 ( 1.466 -3.027 10.774) 11.286 24.037 ( -4.076 0.906 -1.087) 4.315 ======================= Grid point 500 (253/260) ======================= q-point: ( 0.40 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.811 ( 5.269 2.130 -0.263) 5.689 2.944 ( -0.537 11.539 6.467) 13.238 3.237 ( -5.360 2.181 -7.921) 9.810 3.420 ( -13.436 12.595 -11.484) 21.704 4.296 ( 7.458 -7.140 1.213) 10.396 4.415 ( 4.730 -10.911 -7.890) 14.271 5.010 ( -7.550 -3.271 7.388) 11.058 5.309 ( -16.188 -5.826 6.758) 18.484 6.414 ( 8.647 -0.028 1.705) 8.814 6.938 ( -12.200 0.705 1.260) 12.285 7.364 ( 16.353 1.648 -1.771) 16.531 7.605 ( 13.837 -4.684 -7.488) 16.416 7.975 ( 1.441 4.351 0.821) 4.657 8.249 ( -2.541 2.369 -0.772) 3.559 8.559 ( -7.704 -4.516 10.731) 13.961 8.660 ( -15.924 -0.594 -6.322) 17.144 9.936 ( 4.842 7.047 0.390) 8.559 10.011 ( 0.563 7.312 -1.368) 7.460 10.562 ( 11.910 8.187 9.038) 17.046 10.983 ( -4.944 13.805 -10.883) 18.260 11.634 ( 3.188 3.118 5.966) 7.448 11.824 ( -3.898 0.165 -9.748) 10.500 12.858 ( 5.573 -8.386 7.066) 12.301 13.031 ( 0.638 -0.282 -4.045) 4.105 13.548 ( 2.078 0.609 -2.491) 3.300 13.793 ( -4.540 4.777 -4.113) 7.769 14.880 ( -1.772 -11.686 13.157) 17.687 15.009 ( -7.288 -4.444 -13.321) 15.821 16.080 ( 10.105 3.570 17.184) 20.252 16.727 ( -18.219 0.943 -2.777) 18.453 18.242 ( 2.940 0.932 2.003) 3.677 18.420 ( -2.636 3.058 -7.282) 8.327 21.333 ( 6.173 0.066 23.816) 24.603 21.839 ( -14.214 -7.617 -33.677) 37.339 23.663 ( 5.122 -3.676 8.842) 10.860 23.927 ( -6.089 -1.148 -3.477) 7.105 ======================= Grid point 501 (254/260) ======================= q-point: ( 0.50 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.911 ( 0.613 8.528 -4.779) 9.795 2.911 ( -0.613 8.528 4.779) 9.795 3.216 ( -2.170 5.940 -11.967) 13.535 3.216 ( 2.170 5.940 11.967) 13.535 4.433 ( -2.711 -14.878 -4.583) 15.802 4.433 ( 2.711 -14.878 4.583) 15.802 5.023 ( -8.075 -1.763 0.241) 8.269 5.023 ( 8.075 -1.763 -0.241) 8.269 6.655 ( -12.090 0.347 -0.995) 12.136 6.655 ( 12.090 0.347 0.995) 12.136 7.667 ( -9.244 1.843 -2.052) 9.647 7.667 ( 9.244 1.843 2.052) 9.647 8.096 ( -10.664 -2.083 -7.530) 13.220 8.096 ( 10.664 -2.083 7.530) 13.220 8.474 ( -0.612 -0.161 -8.816) 8.838 8.474 ( 0.612 -0.161 8.816) 8.838 9.999 ( -1.254 7.164 -2.184) 7.594 9.999 ( 1.254 7.164 2.184) 7.594 10.810 ( -9.424 13.004 -12.784) 20.526 10.810 ( 9.424 13.004 12.784) 20.526 11.728 ( -3.786 0.261 -10.794) 11.441 11.728 ( 3.786 0.261 10.794) 11.441 12.970 ( -3.827 -4.485 -7.919) 9.873 12.970 ( 3.827 -4.485 7.919) 9.873 13.669 ( -7.186 2.645 1.595) 7.822 13.669 ( 7.186 2.645 -1.595) 7.822 14.890 ( -2.705 -8.718 -13.995) 16.709 14.890 ( 2.705 -8.718 13.995) 16.709 16.363 ( -15.792 2.956 -9.744) 18.790 16.363 ( 15.792 2.956 9.744) 18.790 18.331 ( -4.677 3.958 -5.998) 8.574 18.331 ( 4.677 3.958 5.998) 8.574 21.541 ( -11.113 -5.096 -32.426) 34.654 21.541 ( 11.113 -5.096 32.426) 34.654 23.791 ( -5.436 -2.884 -7.947) 10.051 23.791 ( 5.436 -2.884 7.947) 10.051 ======================= Grid point 507 (255/260) ======================= q-point: ( 0.00 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.757 ( -6.113 1.028 -2.514) 6.689 2.757 ( 6.113 1.028 2.514) 6.689 3.879 ( -6.142 1.448 -16.403) 17.575 3.879 ( 6.142 1.448 16.404) 17.575 4.926 ( 3.448 6.848 -15.123) 16.955 4.926 ( -3.448 6.848 15.123) 16.955 6.106 ( 12.226 4.810 -16.907) 21.411 6.106 ( -12.226 4.810 16.907) 21.411 6.447 ( 7.921 -0.359 -4.436) 9.086 6.447 ( -7.921 -0.359 4.436) 9.086 7.090 ( -7.073 -0.989 -3.657) 8.024 7.090 ( 7.073 -0.989 3.657) 8.024 8.080 ( -11.313 0.723 2.526) 11.614 8.080 ( 11.313 0.723 -2.526) 11.614 8.552 ( -14.744 -5.313 -5.718) 16.683 8.552 ( 14.744 -5.313 5.718) 16.683 9.957 ( -10.343 3.210 1.516) 10.935 9.957 ( 10.343 3.210 -1.516) 10.935 10.433 ( 1.313 -0.909 -3.997) 4.305 10.433 ( -1.313 -0.909 3.997) 4.305 11.961 ( -1.874 1.986 -16.207) 16.435 11.961 ( 1.874 1.986 16.207) 16.435 12.554 ( 6.842 0.024 -6.883) 9.705 12.554 ( -6.842 0.024 6.884) 9.705 14.428 ( 4.368 2.511 -17.627) 18.333 14.428 ( -4.368 2.511 17.627) 18.333 15.003 ( 5.238 3.541 -5.611) 8.453 15.003 ( -5.238 3.541 5.611) 8.453 16.439 ( 14.537 -8.957 -18.334) 25.054 16.439 ( -14.537 -8.957 18.334) 25.054 18.505 ( 3.705 -0.095 -5.985) 7.040 18.505 ( -3.705 -0.095 5.985) 7.040 21.863 ( 11.363 -0.299 -6.738) 13.214 21.863 ( -11.363 -0.299 6.738) 13.214 23.975 ( -7.758 1.025 -0.194) 7.828 23.975 ( 7.758 1.025 0.194) 7.828 ======================= Grid point 509 (256/260) ======================= q-point: ( 0.10 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.648 ( -3.523 -0.003 -1.972) 4.038 2.887 ( 5.684 1.590 1.131) 6.010 3.743 ( -5.758 1.082 -16.054) 17.089 4.006 ( 4.816 2.405 15.113) 16.044 4.750 ( -12.567 8.838 8.011) 17.327 4.846 ( -9.991 4.072 -20.248) 22.943 5.903 ( -8.627 -0.362 18.176) 20.123 6.007 ( -21.622 3.634 11.149) 24.597 6.416 ( 15.102 7.816 -16.763) 23.878 6.716 ( 7.268 -3.981 2.057) 8.538 6.884 ( -12.114 -3.524 -5.047) 13.588 7.206 ( 3.825 -2.431 4.721) 6.545 7.733 ( -6.540 2.855 -1.606) 7.315 8.347 ( -4.068 -1.619 -0.654) 4.427 8.569 ( 19.463 -2.036 -14.147) 24.148 8.954 ( 22.605 -3.061 13.648) 26.582 9.675 ( -15.539 1.200 5.630) 16.571 10.074 ( -0.343 8.961 0.565) 8.985 10.248 ( -4.301 -6.972 -1.673) 8.361 10.695 ( 13.082 1.257 -8.603) 15.708 11.927 ( -0.456 4.269 -19.788) 20.248 12.001 ( 0.480 1.597 9.590) 9.734 12.436 ( -3.931 -1.769 9.684) 10.600 12.690 ( 6.223 -0.277 -4.495) 7.682 14.251 ( -12.500 2.286 12.792) 18.031 14.374 ( -8.302 4.333 -23.109) 24.934 14.818 ( -5.047 -2.349 12.857) 14.010 15.213 ( 6.475 4.033 -6.795) 10.216 16.148 ( -10.028 -2.084 25.990) 27.935 16.803 ( 16.166 -12.328 -7.773) 21.766 18.373 ( -8.461 0.750 2.801) 8.944 18.519 ( -1.547 -0.743 -8.304) 8.479 21.633 ( -9.905 2.173 4.884) 11.255 22.080 ( 8.412 -2.380 -16.169) 18.381 23.777 ( -10.125 0.449 4.204) 10.972 24.101 ( 3.616 1.181 1.117) 3.965 ======================= Grid point 510 (257/260) ======================= q-point: ( 0.20 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.622 ( 1.225 -0.761 -0.803) 1.651 2.982 ( 3.425 1.609 -0.337) 3.799 3.621 ( -5.654 1.818 -15.499) 16.598 4.077 ( 0.957 3.578 12.816) 13.341 4.466 ( -14.262 8.448 -0.123) 16.576 4.547 ( -15.501 1.348 -17.626) 23.511 5.562 ( -20.230 2.742 12.988) 24.196 5.722 ( -11.312 -6.816 17.025) 21.547 6.509 ( -9.527 7.326 -3.025) 12.393 6.821 ( 7.059 -2.536 -1.186) 7.594 6.841 ( 12.540 -5.023 -13.085) 18.807 7.255 ( 0.835 -0.755 5.924) 6.030 7.779 ( 7.738 1.791 -7.665) 11.038 8.340 ( 2.026 2.262 2.997) 4.267 8.777 ( -0.069 -3.307 -6.993) 7.736 9.313 ( -8.990 -1.759 0.773) 9.193 9.499 ( 16.977 2.782 18.012) 24.908 10.034 ( 1.079 7.690 -3.973) 8.723 10.230 ( 0.515 -6.012 -2.749) 6.630 10.948 ( 11.367 2.387 -9.871) 15.243 11.896 ( -3.298 8.700 -9.151) 13.050 11.976 ( -1.873 0.013 -4.761) 5.117 12.434 ( 3.169 -5.229 10.447) 12.104 12.812 ( 6.040 -0.455 -3.529) 7.010 13.956 ( -15.418 2.060 9.762) 18.364 14.153 ( -9.948 3.507 -16.934) 19.951 14.759 ( -2.566 -5.538 12.916) 14.286 15.248 ( -1.775 0.683 -12.522) 12.666 16.043 ( -2.783 3.872 29.461) 29.845 17.042 ( 5.639 -9.828 -0.046) 11.331 18.203 ( -6.395 -0.240 -0.663) 6.434 18.470 ( -1.642 -0.259 -8.903) 9.057 21.465 ( -6.618 3.781 9.290) 12.017 22.151 ( -1.253 -3.614 -29.410) 29.658 23.597 ( -6.532 -0.458 10.624) 12.479 24.123 ( -1.410 0.936 0.400) 1.739 ======================= Grid point 511 (258/260) ======================= q-point: ( 0.30 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.695 ( 5.588 -0.411 0.346) 5.614 3.044 ( 3.007 1.984 1.664) 3.969 3.468 ( -8.569 3.488 -14.490) 17.192 4.009 ( -12.292 8.820 -3.071) 15.437 4.172 ( -7.756 -1.121 -7.173) 10.624 4.313 ( -6.224 -1.464 -0.661) 6.428 5.193 ( -15.288 0.030 10.425) 18.505 5.461 ( -13.896 -7.905 16.340) 22.860 6.358 ( -2.439 1.607 -1.802) 3.432 7.029 ( 13.429 0.172 -2.512) 13.663 7.095 ( 4.962 -1.454 -9.018) 10.396 7.289 ( 7.098 0.356 -1.494) 7.262 7.946 ( 7.363 1.326 -6.498) 9.909 8.378 ( 0.413 4.663 6.566) 8.064 8.629 ( -10.822 -4.943 6.646) 13.628 9.009 ( -16.656 -0.438 -4.927) 17.375 9.862 ( 12.346 2.698 6.948) 14.422 10.128 ( 3.141 8.111 -1.236) 8.785 10.313 ( 11.770 -4.936 -1.666) 12.871 11.142 ( 7.103 3.905 -8.825) 11.982 11.769 ( -7.162 4.704 4.403) 9.634 11.938 ( -2.154 2.671 -15.142) 15.526 12.551 ( 6.880 -6.409 10.411) 14.028 12.951 ( 7.166 0.275 -4.706) 8.577 13.665 ( -11.639 0.987 5.043) 12.723 13.976 ( -6.435 2.295 -10.112) 12.204 14.709 ( -2.621 -6.673 12.591) 14.489 15.153 ( -6.579 -0.335 -16.222) 17.509 16.034 ( 0.956 3.806 27.078) 27.360 17.007 ( -8.708 -3.045 2.719) 9.618 18.155 ( 2.018 -1.645 -1.249) 2.888 18.460 ( 0.699 0.360 -8.127) 8.165 21.365 ( -3.530 3.483 16.817) 17.533 21.998 ( -10.892 -4.233 -37.458) 39.238 23.540 ( 0.404 -1.265 13.593) 13.658 24.050 ( -5.363 0.345 -1.701) 5.637 ======================= Grid point 512 (259/260) ======================= q-point: ( 0.40 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.844 ( 8.387 1.054 1.995) 8.685 3.128 ( 4.577 5.095 7.079) 9.850 3.267 ( -8.699 1.973 -10.249) 13.587 3.650 ( -17.251 8.357 -16.345) 25.191 4.129 ( 0.576 -6.968 1.835) 7.228 4.238 ( -2.428 -6.169 -0.547) 6.653 4.970 ( -5.530 -0.697 5.597) 7.899 5.188 ( -12.405 -4.605 10.357) 16.803 6.422 ( 8.295 0.491 -0.426) 8.321 6.957 ( -12.131 0.807 -1.081) 12.206 7.390 ( 18.778 0.727 -3.905) 19.194 7.552 ( 13.627 -1.091 -9.069) 16.405 8.038 ( 0.992 1.708 0.581) 2.059 8.315 ( -9.362 3.966 5.444) 11.533 8.451 ( -3.686 -5.265 10.253) 12.101 8.666 ( -13.952 0.405 -7.308) 15.755 10.038 ( 5.322 2.844 0.556) 6.060 10.136 ( -0.734 4.065 -1.826) 4.517 10.652 ( 17.396 1.680 3.131) 17.755 11.183 ( -4.083 5.687 -5.183) 8.711 11.677 ( -0.438 0.811 5.598) 5.674 11.857 ( -4.834 2.266 -11.647) 12.813 12.717 ( 8.406 -4.712 9.835) 13.769 13.031 ( -1.618 0.106 -4.679) 4.952 13.552 ( 2.280 -0.016 -1.794) 2.901 13.850 ( -6.107 1.263 -3.742) 7.273 14.687 ( 0.611 -5.755 12.010) 13.332 14.965 ( -9.932 -0.994 -14.958) 17.983 16.144 ( 8.756 2.132 19.805) 21.759 16.737 ( -15.694 0.211 -1.824) 15.801 18.256 ( 6.548 0.413 2.463) 7.008 18.459 ( -1.118 0.967 -7.500) 7.644 21.350 ( 1.480 1.107 25.169) 25.237 21.715 ( -12.964 -4.017 -37.315) 39.707 23.610 ( 5.181 -1.491 11.586) 12.779 23.911 ( -7.434 -0.438 -4.714) 8.814 ======================= Grid point 513 (260/260) ======================= q-point: ( 0.50 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.035 ( -9.385 3.327 -4.893) 11.095 3.035 ( 9.385 3.327 4.893) 11.095 3.336 ( -11.501 5.089 -12.957) 18.057 3.336 ( 11.501 5.089 12.957) 18.057 4.174 ( -1.639 -9.040 -3.446) 9.812 4.174 ( 1.639 -9.040 3.446) 9.812 4.986 ( 1.869 -1.331 -1.220) 2.599 4.986 ( -1.869 -1.331 1.220) 2.599 6.668 ( -13.370 0.567 -0.828) 13.407 6.668 ( 13.370 0.567 0.828) 13.407 7.697 ( 0.842 0.922 -4.690) 4.853 7.697 ( -0.842 0.922 4.690) 4.854 8.069 ( -7.531 -0.686 -8.074) 11.063 8.069 ( 7.531 -0.686 8.074) 11.063 8.475 ( -4.224 0.109 -4.734) 6.345 8.475 ( 4.224 0.109 4.734) 6.345 10.109 ( -1.876 3.293 -0.972) 3.913 10.109 ( 1.876 3.293 0.972) 3.913 10.983 ( -11.925 4.452 -4.487) 13.496 10.983 ( 11.925 4.452 4.487) 13.496 11.743 ( -5.037 0.832 -7.199) 8.826 11.743 ( 5.037 0.832 7.199) 8.826 12.901 ( -8.155 -2.079 -7.367) 11.184 12.901 ( 8.155 -2.079 7.367) 11.184 13.695 ( -8.552 0.325 1.994) 8.788 13.695 ( 8.552 0.325 -1.994) 8.788 14.771 ( -6.849 -3.121 -12.448) 14.546 14.771 ( 6.849 -3.121 12.448) 14.546 16.405 ( -14.874 1.169 -10.217) 18.083 16.405 ( 14.874 1.169 10.217) 18.083 18.389 ( -5.193 1.623 -6.031) 8.123 18.389 ( 5.193 1.623 6.031) 8.123 21.467 ( -8.081 -2.084 -33.589) 34.610 21.467 ( 8.081 -2.084 33.589) 34.610 23.750 ( -7.277 -1.144 -8.346) 11.131 23.750 ( 7.277 -1.144 8.346) 11.131 =================== 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 3/32400 10.0 6457.572 5343.689 8358.104 0.000 1129.206 0.000 3/32400 20.0 1319.776 1050.377 1586.848 0.000 261.407 0.000 3/32400 30.0 508.418 384.477 604.756 0.000 79.130 0.000 3/32400 40.0 261.783 191.241 314.698 0.000 37.626 0.000 3/32400 50.0 157.105 112.752 192.330 0.000 21.832 0.000 3/32400 60.0 104.359 74.260 130.020 0.000 13.977 0.000 3/32400 70.0 74.715 52.927 94.361 0.000 9.547 0.000 3/32400 80.0 56.641 40.009 72.202 0.000 6.863 0.000 3/32400 90.0 44.880 31.632 57.543 0.000 5.152 0.000 3/32400 100.0 36.811 25.894 47.351 0.000 4.014 0.000 3/32400 110.0 31.027 21.786 39.970 0.000 3.228 0.000 3/32400 120.0 26.727 18.734 34.444 0.000 2.665 0.000 3/32400 130.0 23.433 16.396 30.186 0.000 2.250 0.000 3/32400 140.0 20.844 14.558 26.826 0.000 1.936 0.000 3/32400 150.0 18.764 13.082 24.120 0.000 1.692 0.000 3/32400 160.0 17.061 11.874 21.902 0.000 1.499 0.000 3/32400 170.0 15.645 10.869 20.055 0.000 1.342 0.000 3/32400 180.0 14.450 10.021 18.496 0.000 1.214 0.000 3/32400 190.0 13.430 9.297 17.165 0.000 1.107 0.000 3/32400 200.0 12.549 8.673 16.017 0.000 1.017 0.000 3/32400 210.0 11.780 8.128 15.016 0.000 0.940 0.000 3/32400 220.0 11.105 7.650 14.136 0.000 0.874 0.000 3/32400 230.0 10.506 7.226 13.357 0.000 0.817 0.000 3/32400 240.0 9.971 6.848 12.663 0.000 0.766 0.000 3/32400 250.0 9.491 6.509 12.041 0.000 0.722 0.000 3/32400 260.0 9.058 6.203 11.479 0.000 0.683 0.000 3/32400 270.0 8.664 5.926 10.970 0.000 0.647 0.000 3/32400 280.0 8.305 5.673 10.506 0.000 0.616 0.000 3/32400 290.0 7.975 5.442 10.081 0.000 0.587 0.000 3/32400 300.0 7.673 5.229 9.691 0.000 0.561 0.000 3/32400 310.0 7.393 5.033 9.332 0.000 0.538 0.000 3/32400 320.0 7.134 4.852 8.999 0.000 0.516 0.000 3/32400 330.0 6.894 4.684 8.690 0.000 0.496 0.000 3/32400 340.0 6.670 4.528 8.403 0.000 0.478 0.000 3/32400 350.0 6.460 4.382 8.135 0.000 0.461 0.000 3/32400 360.0 6.264 4.245 7.884 0.000 0.446 0.000 3/32400 370.0 6.080 4.117 7.649 0.000 0.431 0.000 3/32400 380.0 5.907 3.997 7.428 0.000 0.417 0.000 3/32400 390.0 5.744 3.884 7.220 0.000 0.405 0.000 3/32400 400.0 5.590 3.777 7.024 0.000 0.393 0.000 3/32400 410.0 5.444 3.677 6.838 0.000 0.382 0.000 3/32400 420.0 5.306 3.581 6.663 0.000 0.371 0.000 3/32400 430.0 5.175 3.491 6.496 0.000 0.361 0.000 3/32400 440.0 5.050 3.405 6.338 0.000 0.352 0.000 3/32400 450.0 4.932 3.323 6.188 0.000 0.343 0.000 3/32400 460.0 4.819 3.246 6.044 0.000 0.335 0.000 3/32400 470.0 4.711 3.172 5.908 0.000 0.327 0.000 3/32400 480.0 4.608 3.101 5.778 0.000 0.319 0.000 3/32400 490.0 4.510 3.034 5.653 0.000 0.312 0.000 3/32400 500.0 4.416 2.969 5.534 0.000 0.305 0.000 3/32400 510.0 4.326 2.907 5.420 0.000 0.298 0.000 3/32400 520.0 4.239 2.848 5.310 0.000 0.292 0.000 3/32400 530.0 4.156 2.792 5.205 0.000 0.286 0.000 3/32400 540.0 4.076 2.737 5.105 0.000 0.280 0.000 3/32400 550.0 4.000 2.685 5.008 0.000 0.275 0.000 3/32400 560.0 3.926 2.634 4.915 0.000 0.269 0.000 3/32400 570.0 3.855 2.586 4.825 0.000 0.264 0.000 3/32400 580.0 3.786 2.539 4.739 0.000 0.259 0.000 3/32400 590.0 3.720 2.494 4.655 0.000 0.255 0.000 3/32400 600.0 3.656 2.451 4.575 0.000 0.250 0.000 3/32400 610.0 3.595 2.409 4.497 0.000 0.246 0.000 3/32400 620.0 3.535 2.369 4.422 0.000 0.241 0.000 3/32400 630.0 3.478 2.330 4.350 0.000 0.237 0.000 3/32400 640.0 3.422 2.292 4.280 0.000 0.233 0.000 3/32400 650.0 3.368 2.255 4.212 0.000 0.230 0.000 3/32400 660.0 3.316 2.220 4.146 0.000 0.226 0.000 3/32400 670.0 3.265 2.185 4.083 0.000 0.222 0.000 3/32400 680.0 3.216 2.152 4.021 0.000 0.219 0.000 3/32400 690.0 3.168 2.120 3.961 0.000 0.216 0.000 3/32400 700.0 3.122 2.089 3.903 0.000 0.212 0.000 3/32400 710.0 3.077 2.058 3.847 0.000 0.209 0.000 3/32400 720.0 3.034 2.029 3.792 0.000 0.206 0.000 3/32400 730.0 2.992 2.000 3.739 0.000 0.203 0.000 3/32400 740.0 2.950 1.973 3.687 0.000 0.200 0.000 3/32400 750.0 2.910 1.946 3.637 0.000 0.198 0.000 3/32400 760.0 2.871 1.919 3.588 0.000 0.195 0.000 3/32400 770.0 2.834 1.894 3.540 0.000 0.192 0.000 3/32400 780.0 2.797 1.869 3.494 0.000 0.190 0.000 3/32400 790.0 2.761 1.845 3.449 0.000 0.187 0.000 3/32400 800.0 2.726 1.821 3.405 0.000 0.185 0.000 3/32400 810.0 2.691 1.798 3.362 0.000 0.182 0.000 3/32400 820.0 2.658 1.776 3.321 0.000 0.180 0.000 3/32400 830.0 2.626 1.754 3.280 0.000 0.178 0.000 3/32400 840.0 2.594 1.732 3.240 0.000 0.176 0.000 3/32400 850.0 2.563 1.711 3.201 0.000 0.174 0.000 3/32400 860.0 2.533 1.691 3.163 0.000 0.172 0.000 3/32400 870.0 2.503 1.671 3.127 0.000 0.170 0.000 3/32400 880.0 2.475 1.652 3.090 0.000 0.168 0.000 3/32400 890.0 2.447 1.633 3.055 0.000 0.166 0.000 3/32400 900.0 2.419 1.615 3.021 0.000 0.164 0.000 3/32400 910.0 2.392 1.596 2.987 0.000 0.162 0.000 3/32400 920.0 2.366 1.579 2.954 0.000 0.160 0.000 3/32400 930.0 2.340 1.562 2.922 0.000 0.158 0.000 3/32400 940.0 2.315 1.545 2.890 0.000 0.157 0.000 3/32400 950.0 2.290 1.528 2.860 0.000 0.155 0.000 3/32400 960.0 2.266 1.512 2.829 0.000 0.153 0.000 3/32400 970.0 2.243 1.496 2.800 0.000 0.152 0.000 3/32400 980.0 2.220 1.481 2.771 0.000 0.150 0.000 3/32400 990.0 2.197 1.465 2.743 0.000 0.148 0.000 3/32400 1000.0 2.175 1.450 2.715 0.000 0.147 0.000 3/32400 Thermal conductivity related properties were written into "kappa-m10910.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 14:28:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|