----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 00:01:34]------------------------- Compiled with OpenMP support (max 32 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 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.805989049999999 0.000000000000000 0.000000000000000 b 0.000000000000000 6.003824430000002 0.000000000000000 c 0.000000000000000 0.000000000000000 12.582286820000000 Atomic positions (fractional): *1 Be 0.81597365999711 0.75000000000000 0.67900746303023 9.012 2 Be 0.31597365999711 0.75000000000000 0.82099253696977 9.012 3 Be 0.18402634000289 0.25000000000000 0.32099253696977 9.012 4 Be 0.68402634000289 0.25000000000000 0.17900746303023 9.012 *5 F 0.86150416465796 0.25000000000000 0.28611108216201 18.998 6 F 0.36150416465796 0.25000000000000 0.21388891783799 18.998 7 F 0.13849583534204 0.75000000000000 0.71388891783799 18.998 8 F 0.63849583534204 0.75000000000000 0.78611108216201 18.998 *9 F 0.23927777660725 0.03687228364744 0.38334643596134 18.998 10 F 0.73927777660725 0.46312771635256 0.11665356403866 18.998 11 F 0.76072222339275 0.53687228364744 0.61665356403866 18.998 12 F 0.26072222339275 0.96312771635256 0.88334643596134 18.998 13 F 0.76072222339275 0.96312771635256 0.61665356403866 18.998 14 F 0.26072222339275 0.53687228364744 0.88334643596134 18.998 15 F 0.23927777660725 0.46312771635256 0.38334643596134 18.998 16 F 0.73927777660725 0.03687228364744 0.11665356403866 18.998 *17 Cs 0.23553399419229 0.75000000000000 0.10185448625088 132.905 18 Cs 0.73553399419229 0.75000000000000 0.39814551374912 132.905 19 Cs 0.76446600580771 0.25000000000000 0.89814551374912 132.905 20 Cs 0.26446600580771 0.25000000000000 0.60185448625088 132.905 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.805989049999999 0.000000000000000 0.000000000000000 b 0.000000000000000 6.003824430000002 0.000000000000000 c 0.000000000000000 0.000000000000000 12.582286820000000 Atomic positions (fractional): *1 Be 0.81597365999711 0.75000000000000 0.67900746303023 9.012 > 1 2 Be 0.31597365999711 0.75000000000000 0.82099253696977 9.012 > 2 3 Be 0.18402634000289 0.25000000000000 0.32099253696977 9.012 > 3 4 Be 0.68402634000289 0.25000000000000 0.17900746303023 9.012 > 4 *5 F 0.86150416465796 0.25000000000000 0.28611108216201 18.998 > 5 6 F 0.36150416465796 0.25000000000000 0.21388891783799 18.998 > 6 7 F 0.13849583534204 0.75000000000000 0.71388891783799 18.998 > 7 8 F 0.63849583534204 0.75000000000000 0.78611108216201 18.998 > 8 *9 F 0.23927777660725 0.03687228364744 0.38334643596134 18.998 > 9 10 F 0.73927777660725 0.46312771635256 0.11665356403866 18.998 > 10 11 F 0.76072222339275 0.53687228364744 0.61665356403866 18.998 > 11 12 F 0.26072222339275 0.96312771635256 0.88334643596134 18.998 > 12 13 F 0.76072222339275 0.96312771635256 0.61665356403866 18.998 > 13 14 F 0.26072222339275 0.53687228364744 0.88334643596134 18.998 > 14 15 F 0.23927777660725 0.46312771635256 0.38334643596134 18.998 > 15 16 F 0.73927777660725 0.03687228364744 0.11665356403866 18.998 > 16 *17 Cs 0.23553399419229 0.75000000000000 0.10185448625088 132.905 > 17 18 Cs 0.73553399419229 0.75000000000000 0.39814551374912 132.905 > 18 19 Cs 0.76446600580771 0.25000000000000 0.89814551374912 132.905 > 19 20 Cs 0.26446600580771 0.25000000000000 0.60185448625088 132.905 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.417967149999997 0.000000000000000 0.000000000000000 b 0.000000000000000 12.007648860000003 0.000000000000000 c 0.000000000000000 0.000000000000000 12.582286820000000 Atomic positions (fractional): *1 Be 0.27199121999904 0.37500000000000 0.67900746303023 9.012 > 1 2 Be 0.60532455333237 0.37500000000000 0.67900746303023 9.012 > 1 3 Be 0.93865788666570 0.37500000000000 0.67900746303023 9.012 > 1 4 Be 0.27199121999904 0.87500000000000 0.67900746303023 9.012 > 1 5 Be 0.60532455333237 0.87500000000000 0.67900746303023 9.012 > 1 6 Be 0.93865788666570 0.87500000000000 0.67900746303023 9.012 > 1 7 Be 0.10532455333237 0.37500000000000 0.82099253696977 9.012 > 2 8 Be 0.43865788666570 0.37500000000000 0.82099253696977 9.012 > 2 9 Be 0.77199121999904 0.37500000000000 0.82099253696977 9.012 > 2 10 Be 0.10532455333237 0.87500000000000 0.82099253696977 9.012 > 2 11 Be 0.43865788666570 0.87500000000000 0.82099253696977 9.012 > 2 12 Be 0.77199121999904 0.87500000000000 0.82099253696977 9.012 > 2 13 Be 0.06134211333430 0.12500000000000 0.32099253696977 9.012 > 3 14 Be 0.39467544666763 0.12500000000000 0.32099253696977 9.012 > 3 15 Be 0.72800878000096 0.12500000000000 0.32099253696977 9.012 > 3 16 Be 0.06134211333430 0.62500000000000 0.32099253696977 9.012 > 3 17 Be 0.39467544666763 0.62500000000000 0.32099253696977 9.012 > 3 18 Be 0.72800878000096 0.62500000000000 0.32099253696977 9.012 > 3 19 Be 0.22800878000096 0.12500000000000 0.17900746303023 9.012 > 4 20 Be 0.56134211333430 0.12500000000000 0.17900746303023 9.012 > 4 21 Be 0.89467544666763 0.12500000000000 0.17900746303023 9.012 > 4 22 Be 0.22800878000096 0.62500000000000 0.17900746303023 9.012 > 4 23 Be 0.56134211333430 0.62500000000000 0.17900746303023 9.012 > 4 24 Be 0.89467544666763 0.62500000000000 0.17900746303023 9.012 > 4 *25 F 0.28716805488599 0.12500000000000 0.28611108216201 18.998 > 5 26 F 0.62050138821932 0.12500000000000 0.28611108216201 18.998 > 5 27 F 0.95383472155265 0.12500000000000 0.28611108216201 18.998 > 5 28 F 0.28716805488599 0.62500000000000 0.28611108216201 18.998 > 5 29 F 0.62050138821932 0.62500000000000 0.28611108216201 18.998 > 5 30 F 0.95383472155265 0.62500000000000 0.28611108216201 18.998 > 5 31 F 0.12050138821932 0.12500000000000 0.21388891783799 18.998 > 6 32 F 0.45383472155265 0.12500000000000 0.21388891783799 18.998 > 6 33 F 0.78716805488599 0.12500000000000 0.21388891783799 18.998 > 6 34 F 0.12050138821932 0.62500000000000 0.21388891783799 18.998 > 6 35 F 0.45383472155265 0.62500000000000 0.21388891783799 18.998 > 6 36 F 0.78716805488599 0.62500000000000 0.21388891783799 18.998 > 6 37 F 0.04616527844735 0.37500000000000 0.71388891783799 18.998 > 7 38 F 0.37949861178068 0.37500000000000 0.71388891783799 18.998 > 7 39 F 0.71283194511401 0.37500000000000 0.71388891783799 18.998 > 7 40 F 0.04616527844735 0.87500000000000 0.71388891783799 18.998 > 7 41 F 0.37949861178068 0.87500000000000 0.71388891783799 18.998 > 7 42 F 0.71283194511401 0.87500000000000 0.71388891783799 18.998 > 7 43 F 0.21283194511401 0.37500000000000 0.78611108216201 18.998 > 8 44 F 0.54616527844735 0.37500000000000 0.78611108216201 18.998 > 8 45 F 0.87949861178068 0.37500000000000 0.78611108216201 18.998 > 8 46 F 0.21283194511401 0.87500000000000 0.78611108216201 18.998 > 8 47 F 0.54616527844735 0.87500000000000 0.78611108216201 18.998 > 8 48 F 0.87949861178068 0.87500000000000 0.78611108216201 18.998 > 8 *49 F 0.07975925886908 0.01843614182372 0.38334643596134 18.998 > 9 50 F 0.41309259220242 0.01843614182372 0.38334643596134 18.998 > 9 51 F 0.74642592553575 0.01843614182372 0.38334643596134 18.998 > 9 52 F 0.07975925886908 0.51843614182372 0.38334643596134 18.998 > 9 53 F 0.41309259220242 0.51843614182372 0.38334643596134 18.998 > 9 54 F 0.74642592553575 0.51843614182372 0.38334643596134 18.998 > 9 55 F 0.24642592553575 0.23156385817628 0.11665356403866 18.998 > 10 56 F 0.57975925886908 0.23156385817628 0.11665356403866 18.998 > 10 57 F 0.91309259220242 0.23156385817628 0.11665356403866 18.998 > 10 58 F 0.24642592553575 0.73156385817628 0.11665356403866 18.998 > 10 59 F 0.57975925886908 0.73156385817628 0.11665356403866 18.998 > 10 60 F 0.91309259220242 0.73156385817628 0.11665356403866 18.998 > 10 61 F 0.25357407446425 0.26843614182372 0.61665356403866 18.998 > 11 62 F 0.58690740779758 0.26843614182372 0.61665356403866 18.998 > 11 63 F 0.92024074113092 0.26843614182372 0.61665356403866 18.998 > 11 64 F 0.25357407446425 0.76843614182372 0.61665356403866 18.998 > 11 65 F 0.58690740779758 0.76843614182372 0.61665356403866 18.998 > 11 66 F 0.92024074113092 0.76843614182372 0.61665356403866 18.998 > 11 67 F 0.08690740779758 0.48156385817628 0.88334643596134 18.998 > 12 68 F 0.42024074113092 0.48156385817628 0.88334643596134 18.998 > 12 69 F 0.75357407446425 0.48156385817628 0.88334643596134 18.998 > 12 70 F 0.08690740779758 0.98156385817628 0.88334643596134 18.998 > 12 71 F 0.42024074113092 0.98156385817628 0.88334643596134 18.998 > 12 72 F 0.75357407446425 0.98156385817628 0.88334643596134 18.998 > 12 73 F 0.25357407446425 0.48156385817628 0.61665356403866 18.998 > 13 74 F 0.58690740779758 0.48156385817628 0.61665356403866 18.998 > 13 75 F 0.92024074113092 0.48156385817628 0.61665356403866 18.998 > 13 76 F 0.25357407446425 0.98156385817628 0.61665356403866 18.998 > 13 77 F 0.58690740779758 0.98156385817628 0.61665356403866 18.998 > 13 78 F 0.92024074113092 0.98156385817628 0.61665356403866 18.998 > 13 79 F 0.08690740779758 0.26843614182372 0.88334643596134 18.998 > 14 80 F 0.42024074113092 0.26843614182372 0.88334643596134 18.998 > 14 81 F 0.75357407446425 0.26843614182372 0.88334643596134 18.998 > 14 82 F 0.08690740779758 0.76843614182372 0.88334643596134 18.998 > 14 83 F 0.42024074113092 0.76843614182372 0.88334643596134 18.998 > 14 84 F 0.75357407446425 0.76843614182372 0.88334643596134 18.998 > 14 85 F 0.07975925886908 0.23156385817628 0.38334643596134 18.998 > 15 86 F 0.41309259220242 0.23156385817628 0.38334643596134 18.998 > 15 87 F 0.74642592553575 0.23156385817628 0.38334643596134 18.998 > 15 88 F 0.07975925886908 0.73156385817628 0.38334643596134 18.998 > 15 89 F 0.41309259220242 0.73156385817628 0.38334643596134 18.998 > 15 90 F 0.74642592553575 0.73156385817628 0.38334643596134 18.998 > 15 91 F 0.24642592553575 0.01843614182372 0.11665356403866 18.998 > 16 92 F 0.57975925886908 0.01843614182372 0.11665356403866 18.998 > 16 93 F 0.91309259220242 0.01843614182372 0.11665356403866 18.998 > 16 94 F 0.24642592553575 0.51843614182372 0.11665356403866 18.998 > 16 95 F 0.57975925886908 0.51843614182372 0.11665356403866 18.998 > 16 96 F 0.91309259220242 0.51843614182372 0.11665356403866 18.998 > 16 *97 Cs 0.07851133139743 0.37500000000000 0.10185448625088 132.905 > 17 98 Cs 0.41184466473076 0.37500000000000 0.10185448625088 132.905 > 17 99 Cs 0.74517799806410 0.37500000000000 0.10185448625088 132.905 > 17 100 Cs 0.07851133139743 0.87500000000000 0.10185448625088 132.905 > 17 101 Cs 0.41184466473076 0.87500000000000 0.10185448625088 132.905 > 17 102 Cs 0.74517799806410 0.87500000000000 0.10185448625088 132.905 > 17 103 Cs 0.24517799806410 0.37500000000000 0.39814551374912 132.905 > 18 104 Cs 0.57851133139743 0.37500000000000 0.39814551374912 132.905 > 18 105 Cs 0.91184466473076 0.37500000000000 0.39814551374912 132.905 > 18 106 Cs 0.24517799806410 0.87500000000000 0.39814551374912 132.905 > 18 107 Cs 0.57851133139743 0.87500000000000 0.39814551374912 132.905 > 18 108 Cs 0.91184466473076 0.87500000000000 0.39814551374912 132.905 > 18 109 Cs 0.25482200193590 0.12500000000000 0.89814551374912 132.905 > 19 110 Cs 0.58815533526924 0.12500000000000 0.89814551374912 132.905 > 19 111 Cs 0.92148866860257 0.12500000000000 0.89814551374912 132.905 > 19 112 Cs 0.25482200193590 0.62500000000000 0.89814551374912 132.905 > 19 113 Cs 0.58815533526924 0.62500000000000 0.89814551374912 132.905 > 19 114 Cs 0.92148866860257 0.62500000000000 0.89814551374912 132.905 > 19 115 Cs 0.08815533526924 0.12500000000000 0.60185448625088 132.905 > 20 116 Cs 0.42148866860257 0.12500000000000 0.60185448625088 132.905 > 20 117 Cs 0.75482200193590 0.12500000000000 0.60185448625088 132.905 > 20 118 Cs 0.08815533526924 0.62500000000000 0.60185448625088 132.905 > 20 119 Cs 0.42148866860257 0.62500000000000 0.60185448625088 132.905 > 20 120 Cs 0.75482200193590 0.62500000000000 0.60185448625088 132.905 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.0486396 0.0000000 0.0000000 0.0000000 2.0396037 0.0000000 0.0000000 0.0000000 2.0436779 -------------------------- Born effective charges -------------------------- 1 Be 1.7464030 0.0000000 -0.0420800 0.0000000 1.8001118 0.0000000 0.0566341 0.0000000 1.7930366 2 Be 1.7464030 0.0000000 0.0420800 0.0000000 1.8001118 0.0000000 -0.0566341 0.0000000 1.7930366 3 Be 1.7464030 0.0000000 -0.0420800 0.0000000 1.8001118 0.0000000 0.0566341 0.0000000 1.7930366 4 Be 1.7464030 0.0000000 0.0420800 0.0000000 1.8001118 0.0000000 -0.0566341 0.0000000 1.7930366 5 F -1.2338673 0.0000000 -0.3712273 0.0000000 -0.7526756 0.0000000 -0.3492989 0.0000000 -1.0088801 6 F -1.2338673 0.0000000 0.3712273 0.0000000 -0.7526756 0.0000000 0.3492989 0.0000000 -1.0088801 7 F -1.2338673 0.0000000 -0.3712273 0.0000000 -0.7526756 0.0000000 -0.3492989 0.0000000 -1.0088801 8 F -1.2338673 0.0000000 0.3712273 0.0000000 -0.7526756 0.0000000 0.3492989 0.0000000 -1.0088801 9 F -0.9587095 0.0600204 -0.0325753 0.0654402 -1.1891007 0.1210821 -0.0535426 0.1382532 -0.9888730 10 F -0.9587095 -0.0600204 0.0325753 -0.0654402 -1.1891007 0.1210821 0.0535426 0.1382532 -0.9888730 11 F -0.9587095 -0.0600204 -0.0325753 -0.0654402 -1.1891007 -0.1210821 -0.0535426 -0.1382532 -0.9888730 12 F -0.9587095 0.0600204 0.0325753 0.0654402 -1.1891007 -0.1210821 0.0535426 -0.1382532 -0.9888730 13 F -0.9587095 0.0600204 -0.0325753 0.0654402 -1.1891007 0.1210821 -0.0535426 0.1382532 -0.9888730 14 F -0.9587095 -0.0600204 0.0325753 -0.0654402 -1.1891007 0.1210821 0.0535426 0.1382532 -0.9888730 15 F -0.9587095 -0.0600204 -0.0325753 -0.0654402 -1.1891007 -0.1210821 -0.0535426 -0.1382532 -0.9888730 16 F -0.9587095 0.0600204 0.0325753 0.0654402 -1.1891007 -0.1210821 0.0535426 -0.1382532 -0.9888730 17 Cs 1.4048833 0.0000000 -0.0029731 0.0000000 1.3307652 0.0000000 -0.0089622 0.0000000 1.1935894 18 Cs 1.4048833 0.0000000 0.0029731 0.0000000 1.3307652 0.0000000 0.0089622 0.0000000 1.1935894 19 Cs 1.4048833 0.0000000 -0.0029731 0.0000000 1.3307652 0.0000000 -0.0089622 0.0000000 1.1935894 20 Cs 1.4048833 0.0000000 0.0029731 0.0000000 1.3307652 0.0000000 0.0089622 0.0000000 1.1935894 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 360/360 Permutation basis: 11220/11220 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1452 Number of blocks in projector: 1452 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: 354 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 246 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 246 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 202 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 202 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 202 Use standard eigh solver. Tree of FC basis block matrices: - (1452, 1428), data: False |-- (202, 198), data: True |-- (202, 198), data: True |-- (202, 198), data: True |-- (246, 244), data: True |-- (246, 244), data: True |-- (354, 346), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 320 - Time: 0.388 Solver_block: 200 / 320 - Time: 0.371 Solver_block: 300 / 320 - Time: 0.368 Solver_block: 320 / 320 - Time: 0.101 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.251 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 360/360 Permutation basis: 11220/11220 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1452 Number of blocks in projector: 1452 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: 354 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 246 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 246 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 202 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 202 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 202 Use standard eigh solver. Tree of FC basis block matrices: - (1452, 1428), data: False |-- (202, 198), data: True |-- (202, 198), data: True |-- (202, 198), data: True |-- (246, 244), data: True |-- (246, 244), data: True |-- (354, 346), 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 00:01:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:01:53]------------------------- Compiled with OpenMP support (max 32 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 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.805989049999999 0.000000000000000 0.000000000000000 b 0.000000000000000 6.003824430000002 0.000000000000000 c 0.000000000000000 0.000000000000000 12.582286820000000 Atomic positions (fractional): 1 Be 0.81597365999711 0.75000000000000 0.67900746303023 9.012 2 Be 0.31597365999711 0.75000000000000 0.82099253696977 9.012 3 Be 0.18402634000289 0.25000000000000 0.32099253696977 9.012 4 Be 0.68402634000289 0.25000000000000 0.17900746303023 9.012 5 F 0.86150416465796 0.25000000000000 0.28611108216201 18.998 6 F 0.36150416465796 0.25000000000000 0.21388891783799 18.998 7 F 0.13849583534204 0.75000000000000 0.71388891783799 18.998 8 F 0.63849583534204 0.75000000000000 0.78611108216201 18.998 9 F 0.23927777660725 0.03687228364744 0.38334643596134 18.998 10 F 0.73927777660725 0.46312771635256 0.11665356403866 18.998 11 F 0.76072222339275 0.53687228364744 0.61665356403866 18.998 12 F 0.26072222339275 0.96312771635256 0.88334643596134 18.998 13 F 0.76072222339275 0.96312771635256 0.61665356403866 18.998 14 F 0.26072222339275 0.53687228364744 0.88334643596134 18.998 15 F 0.23927777660725 0.46312771635256 0.38334643596134 18.998 16 F 0.73927777660725 0.03687228364744 0.11665356403866 18.998 17 Cs 0.23553399419229 0.75000000000000 0.10185448625088 132.905 18 Cs 0.73553399419229 0.75000000000000 0.39814551374912 132.905 19 Cs 0.76446600580771 0.25000000000000 0.89814551374912 132.905 20 Cs 0.26446600580771 0.25000000000000 0.60185448625088 132.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.417967149999997 0.000000000000000 0.000000000000000 b 0.000000000000000 12.007648860000003 0.000000000000000 c 0.000000000000000 0.000000000000000 12.582286820000000 Atomic positions (fractional): 1 Be 0.27199121999904 0.37500000000000 0.67900746303023 9.012 > 1 2 Be 0.60532455333237 0.37500000000000 0.67900746303023 9.012 > 1 3 Be 0.93865788666570 0.37500000000000 0.67900746303023 9.012 > 1 4 Be 0.27199121999904 0.87500000000000 0.67900746303023 9.012 > 1 5 Be 0.60532455333237 0.87500000000000 0.67900746303023 9.012 > 1 6 Be 0.93865788666570 0.87500000000000 0.67900746303023 9.012 > 1 7 Be 0.10532455333237 0.37500000000000 0.82099253696977 9.012 > 7 8 Be 0.43865788666570 0.37500000000000 0.82099253696977 9.012 > 7 9 Be 0.77199121999904 0.37500000000000 0.82099253696977 9.012 > 7 10 Be 0.10532455333237 0.87500000000000 0.82099253696977 9.012 > 7 11 Be 0.43865788666570 0.87500000000000 0.82099253696977 9.012 > 7 12 Be 0.77199121999904 0.87500000000000 0.82099253696977 9.012 > 7 13 Be 0.06134211333430 0.12500000000000 0.32099253696977 9.012 > 13 14 Be 0.39467544666763 0.12500000000000 0.32099253696977 9.012 > 13 15 Be 0.72800878000096 0.12500000000000 0.32099253696977 9.012 > 13 16 Be 0.06134211333430 0.62500000000000 0.32099253696977 9.012 > 13 17 Be 0.39467544666763 0.62500000000000 0.32099253696977 9.012 > 13 18 Be 0.72800878000096 0.62500000000000 0.32099253696977 9.012 > 13 19 Be 0.22800878000096 0.12500000000000 0.17900746303023 9.012 > 19 20 Be 0.56134211333430 0.12500000000000 0.17900746303023 9.012 > 19 21 Be 0.89467544666763 0.12500000000000 0.17900746303023 9.012 > 19 22 Be 0.22800878000096 0.62500000000000 0.17900746303023 9.012 > 19 23 Be 0.56134211333430 0.62500000000000 0.17900746303023 9.012 > 19 24 Be 0.89467544666763 0.62500000000000 0.17900746303023 9.012 > 19 25 F 0.28716805488599 0.12500000000000 0.28611108216201 18.998 > 25 26 F 0.62050138821932 0.12500000000000 0.28611108216201 18.998 > 25 27 F 0.95383472155265 0.12500000000000 0.28611108216201 18.998 > 25 28 F 0.28716805488599 0.62500000000000 0.28611108216201 18.998 > 25 29 F 0.62050138821932 0.62500000000000 0.28611108216201 18.998 > 25 30 F 0.95383472155265 0.62500000000000 0.28611108216201 18.998 > 25 31 F 0.12050138821932 0.12500000000000 0.21388891783799 18.998 > 31 32 F 0.45383472155265 0.12500000000000 0.21388891783799 18.998 > 31 33 F 0.78716805488599 0.12500000000000 0.21388891783799 18.998 > 31 34 F 0.12050138821932 0.62500000000000 0.21388891783799 18.998 > 31 35 F 0.45383472155265 0.62500000000000 0.21388891783799 18.998 > 31 36 F 0.78716805488599 0.62500000000000 0.21388891783799 18.998 > 31 37 F 0.04616527844735 0.37500000000000 0.71388891783799 18.998 > 37 38 F 0.37949861178068 0.37500000000000 0.71388891783799 18.998 > 37 39 F 0.71283194511401 0.37500000000000 0.71388891783799 18.998 > 37 40 F 0.04616527844735 0.87500000000000 0.71388891783799 18.998 > 37 41 F 0.37949861178068 0.87500000000000 0.71388891783799 18.998 > 37 42 F 0.71283194511401 0.87500000000000 0.71388891783799 18.998 > 37 43 F 0.21283194511401 0.37500000000000 0.78611108216201 18.998 > 43 44 F 0.54616527844735 0.37500000000000 0.78611108216201 18.998 > 43 45 F 0.87949861178068 0.37500000000000 0.78611108216201 18.998 > 43 46 F 0.21283194511401 0.87500000000000 0.78611108216201 18.998 > 43 47 F 0.54616527844735 0.87500000000000 0.78611108216201 18.998 > 43 48 F 0.87949861178068 0.87500000000000 0.78611108216201 18.998 > 43 49 F 0.07975925886908 0.01843614182372 0.38334643596134 18.998 > 49 50 F 0.41309259220242 0.01843614182372 0.38334643596134 18.998 > 49 51 F 0.74642592553575 0.01843614182372 0.38334643596134 18.998 > 49 52 F 0.07975925886908 0.51843614182372 0.38334643596134 18.998 > 49 53 F 0.41309259220242 0.51843614182372 0.38334643596134 18.998 > 49 54 F 0.74642592553575 0.51843614182372 0.38334643596134 18.998 > 49 55 F 0.24642592553575 0.23156385817628 0.11665356403866 18.998 > 55 56 F 0.57975925886908 0.23156385817628 0.11665356403866 18.998 > 55 57 F 0.91309259220242 0.23156385817628 0.11665356403866 18.998 > 55 58 F 0.24642592553575 0.73156385817628 0.11665356403866 18.998 > 55 59 F 0.57975925886908 0.73156385817628 0.11665356403866 18.998 > 55 60 F 0.91309259220242 0.73156385817628 0.11665356403866 18.998 > 55 61 F 0.25357407446425 0.26843614182372 0.61665356403866 18.998 > 61 62 F 0.58690740779758 0.26843614182372 0.61665356403866 18.998 > 61 63 F 0.92024074113092 0.26843614182372 0.61665356403866 18.998 > 61 64 F 0.25357407446425 0.76843614182372 0.61665356403866 18.998 > 61 65 F 0.58690740779758 0.76843614182372 0.61665356403866 18.998 > 61 66 F 0.92024074113092 0.76843614182372 0.61665356403866 18.998 > 61 67 F 0.08690740779758 0.48156385817628 0.88334643596134 18.998 > 67 68 F 0.42024074113092 0.48156385817628 0.88334643596134 18.998 > 67 69 F 0.75357407446425 0.48156385817628 0.88334643596134 18.998 > 67 70 F 0.08690740779758 0.98156385817628 0.88334643596134 18.998 > 67 71 F 0.42024074113092 0.98156385817628 0.88334643596134 18.998 > 67 72 F 0.75357407446425 0.98156385817628 0.88334643596134 18.998 > 67 73 F 0.25357407446425 0.48156385817628 0.61665356403866 18.998 > 73 74 F 0.58690740779758 0.48156385817628 0.61665356403866 18.998 > 73 75 F 0.92024074113092 0.48156385817628 0.61665356403866 18.998 > 73 76 F 0.25357407446425 0.98156385817628 0.61665356403866 18.998 > 73 77 F 0.58690740779758 0.98156385817628 0.61665356403866 18.998 > 73 78 F 0.92024074113092 0.98156385817628 0.61665356403866 18.998 > 73 79 F 0.08690740779758 0.26843614182372 0.88334643596134 18.998 > 79 80 F 0.42024074113092 0.26843614182372 0.88334643596134 18.998 > 79 81 F 0.75357407446425 0.26843614182372 0.88334643596134 18.998 > 79 82 F 0.08690740779758 0.76843614182372 0.88334643596134 18.998 > 79 83 F 0.42024074113092 0.76843614182372 0.88334643596134 18.998 > 79 84 F 0.75357407446425 0.76843614182372 0.88334643596134 18.998 > 79 85 F 0.07975925886908 0.23156385817628 0.38334643596134 18.998 > 85 86 F 0.41309259220242 0.23156385817628 0.38334643596134 18.998 > 85 87 F 0.74642592553575 0.23156385817628 0.38334643596134 18.998 > 85 88 F 0.07975925886908 0.73156385817628 0.38334643596134 18.998 > 85 89 F 0.41309259220242 0.73156385817628 0.38334643596134 18.998 > 85 90 F 0.74642592553575 0.73156385817628 0.38334643596134 18.998 > 85 91 F 0.24642592553575 0.01843614182372 0.11665356403866 18.998 > 91 92 F 0.57975925886908 0.01843614182372 0.11665356403866 18.998 > 91 93 F 0.91309259220242 0.01843614182372 0.11665356403866 18.998 > 91 94 F 0.24642592553575 0.51843614182372 0.11665356403866 18.998 > 91 95 F 0.57975925886908 0.51843614182372 0.11665356403866 18.998 > 91 96 F 0.91309259220242 0.51843614182372 0.11665356403866 18.998 > 91 97 Cs 0.07851133139743 0.37500000000000 0.10185448625088 132.905 > 97 98 Cs 0.41184466473076 0.37500000000000 0.10185448625088 132.905 > 97 99 Cs 0.74517799806410 0.37500000000000 0.10185448625088 132.905 > 97 100 Cs 0.07851133139743 0.87500000000000 0.10185448625088 132.905 > 97 101 Cs 0.41184466473076 0.87500000000000 0.10185448625088 132.905 > 97 102 Cs 0.74517799806410 0.87500000000000 0.10185448625088 132.905 > 97 103 Cs 0.24517799806410 0.37500000000000 0.39814551374912 132.905 > 103 104 Cs 0.57851133139743 0.37500000000000 0.39814551374912 132.905 > 103 105 Cs 0.91184466473076 0.37500000000000 0.39814551374912 132.905 > 103 106 Cs 0.24517799806410 0.87500000000000 0.39814551374912 132.905 > 103 107 Cs 0.57851133139743 0.87500000000000 0.39814551374912 132.905 > 103 108 Cs 0.91184466473076 0.87500000000000 0.39814551374912 132.905 > 103 109 Cs 0.25482200193590 0.12500000000000 0.89814551374912 132.905 > 109 110 Cs 0.58815533526924 0.12500000000000 0.89814551374912 132.905 > 109 111 Cs 0.92148866860257 0.12500000000000 0.89814551374912 132.905 > 109 112 Cs 0.25482200193590 0.62500000000000 0.89814551374912 132.905 > 109 113 Cs 0.58815533526924 0.62500000000000 0.89814551374912 132.905 > 109 114 Cs 0.92148866860257 0.62500000000000 0.89814551374912 132.905 > 109 115 Cs 0.08815533526924 0.12500000000000 0.60185448625088 132.905 > 115 116 Cs 0.42148866860257 0.12500000000000 0.60185448625088 132.905 > 115 117 Cs 0.75482200193590 0.12500000000000 0.60185448625088 132.905 > 115 118 Cs 0.08815533526924 0.62500000000000 0.60185448625088 132.905 > 115 119 Cs 0.42148866860257 0.62500000000000 0.60185448625088 132.905 > 115 120 Cs 0.75482200193590 0.62500000000000 0.60185448625088 132.905 > 115 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.0486396 0.0000000 0.0000000 0.0000000 2.0396037 0.0000000 0.0000000 0.0000000 2.0436779 -------------------------- Born effective charges -------------------------- 1 Be 1.7464030 0.0000000 -0.0420800 0.0000000 1.8001118 0.0000000 0.0566341 0.0000000 1.7930366 2 Be 1.7464030 0.0000000 0.0420800 0.0000000 1.8001118 0.0000000 -0.0566341 0.0000000 1.7930366 3 Be 1.7464030 0.0000000 -0.0420800 0.0000000 1.8001118 0.0000000 0.0566341 0.0000000 1.7930366 4 Be 1.7464030 0.0000000 0.0420800 0.0000000 1.8001118 0.0000000 -0.0566341 0.0000000 1.7930366 5 F -1.2338673 0.0000000 -0.3712273 0.0000000 -0.7526756 0.0000000 -0.3492989 0.0000000 -1.0088801 6 F -1.2338673 0.0000000 0.3712273 0.0000000 -0.7526756 0.0000000 0.3492989 0.0000000 -1.0088801 7 F -1.2338673 0.0000000 -0.3712273 0.0000000 -0.7526756 0.0000000 -0.3492989 0.0000000 -1.0088801 8 F -1.2338673 0.0000000 0.3712273 0.0000000 -0.7526756 0.0000000 0.3492989 0.0000000 -1.0088801 9 F -0.9587095 0.0600204 -0.0325753 0.0654402 -1.1891007 0.1210821 -0.0535426 0.1382532 -0.9888730 10 F -0.9587095 -0.0600204 0.0325753 -0.0654402 -1.1891007 0.1210821 0.0535426 0.1382532 -0.9888730 11 F -0.9587095 -0.0600204 -0.0325753 -0.0654402 -1.1891007 -0.1210821 -0.0535426 -0.1382532 -0.9888730 12 F -0.9587095 0.0600204 0.0325753 0.0654402 -1.1891007 -0.1210821 0.0535426 -0.1382532 -0.9888730 13 F -0.9587095 0.0600204 -0.0325753 0.0654402 -1.1891007 0.1210821 -0.0535426 0.1382532 -0.9888730 14 F -0.9587095 -0.0600204 0.0325753 -0.0654402 -1.1891007 0.1210821 0.0535426 0.1382532 -0.9888730 15 F -0.9587095 -0.0600204 -0.0325753 -0.0654402 -1.1891007 -0.1210821 -0.0535426 -0.1382532 -0.9888730 16 F -0.9587095 0.0600204 0.0325753 0.0654402 -1.1891007 -0.1210821 0.0535426 -0.1382532 -0.9888730 17 Cs 1.4048833 0.0000000 -0.0029731 0.0000000 1.3307652 0.0000000 -0.0089622 0.0000000 1.1935894 18 Cs 1.4048833 0.0000000 0.0029731 0.0000000 1.3307652 0.0000000 0.0089622 0.0000000 1.1935894 19 Cs 1.4048833 0.0000000 -0.0029731 0.0000000 1.3307652 0.0000000 -0.0089622 0.0000000 1.1935894 20 Cs 1.4048833 0.0000000 0.0029731 0.0000000 1.3307652 0.0000000 0.0089622 0.0000000 1.1935894 ---------------------------------------------------------------------------- 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zx) -0.00000000 (zx) 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 00:02:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:02:13]------------------------- Compiled with OpenMP support (max 32 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 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.805989049999999 0.000000000000000 0.000000000000000 b 0.000000000000000 6.003824430000002 0.000000000000000 c 0.000000000000000 0.000000000000000 12.582286820000000 Atomic positions (fractional): 1 Be 0.81597365999711 0.75000000000000 0.67900746303023 9.012 2 Be 0.31597365999711 0.75000000000000 0.82099253696977 9.012 3 Be 0.18402634000289 0.25000000000000 0.32099253696977 9.012 4 Be 0.68402634000289 0.25000000000000 0.17900746303023 9.012 5 F 0.86150416465796 0.25000000000000 0.28611108216201 18.998 6 F 0.36150416465796 0.25000000000000 0.21388891783799 18.998 7 F 0.13849583534204 0.75000000000000 0.71388891783799 18.998 8 F 0.63849583534204 0.75000000000000 0.78611108216201 18.998 9 F 0.23927777660725 0.03687228364744 0.38334643596134 18.998 10 F 0.73927777660725 0.46312771635256 0.11665356403866 18.998 11 F 0.76072222339275 0.53687228364744 0.61665356403866 18.998 12 F 0.26072222339275 0.96312771635256 0.88334643596134 18.998 13 F 0.76072222339275 0.96312771635256 0.61665356403866 18.998 14 F 0.26072222339275 0.53687228364744 0.88334643596134 18.998 15 F 0.23927777660725 0.46312771635256 0.38334643596134 18.998 16 F 0.73927777660725 0.03687228364744 0.11665356403866 18.998 17 Cs 0.23553399419229 0.75000000000000 0.10185448625088 132.905 18 Cs 0.73553399419229 0.75000000000000 0.39814551374912 132.905 19 Cs 0.76446600580771 0.25000000000000 0.89814551374912 132.905 20 Cs 0.26446600580771 0.25000000000000 0.60185448625088 132.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.417967149999997 0.000000000000000 0.000000000000000 b 0.000000000000000 12.007648860000003 0.000000000000000 c 0.000000000000000 0.000000000000000 12.582286820000000 Atomic positions (fractional): 1 Be 0.27199121999904 0.37500000000000 0.67900746303023 9.012 > 1 2 Be 0.60532455333237 0.37500000000000 0.67900746303023 9.012 > 1 3 Be 0.93865788666570 0.37500000000000 0.67900746303023 9.012 > 1 4 Be 0.27199121999904 0.87500000000000 0.67900746303023 9.012 > 1 5 Be 0.60532455333237 0.87500000000000 0.67900746303023 9.012 > 1 6 Be 0.93865788666570 0.87500000000000 0.67900746303023 9.012 > 1 7 Be 0.10532455333237 0.37500000000000 0.82099253696977 9.012 > 7 8 Be 0.43865788666570 0.37500000000000 0.82099253696977 9.012 > 7 9 Be 0.77199121999904 0.37500000000000 0.82099253696977 9.012 > 7 10 Be 0.10532455333237 0.87500000000000 0.82099253696977 9.012 > 7 11 Be 0.43865788666570 0.87500000000000 0.82099253696977 9.012 > 7 12 Be 0.77199121999904 0.87500000000000 0.82099253696977 9.012 > 7 13 Be 0.06134211333430 0.12500000000000 0.32099253696977 9.012 > 13 14 Be 0.39467544666763 0.12500000000000 0.32099253696977 9.012 > 13 15 Be 0.72800878000096 0.12500000000000 0.32099253696977 9.012 > 13 16 Be 0.06134211333430 0.62500000000000 0.32099253696977 9.012 > 13 17 Be 0.39467544666763 0.62500000000000 0.32099253696977 9.012 > 13 18 Be 0.72800878000096 0.62500000000000 0.32099253696977 9.012 > 13 19 Be 0.22800878000096 0.12500000000000 0.17900746303023 9.012 > 19 20 Be 0.56134211333430 0.12500000000000 0.17900746303023 9.012 > 19 21 Be 0.89467544666763 0.12500000000000 0.17900746303023 9.012 > 19 22 Be 0.22800878000096 0.62500000000000 0.17900746303023 9.012 > 19 23 Be 0.56134211333430 0.62500000000000 0.17900746303023 9.012 > 19 24 Be 0.89467544666763 0.62500000000000 0.17900746303023 9.012 > 19 25 F 0.28716805488599 0.12500000000000 0.28611108216201 18.998 > 25 26 F 0.62050138821932 0.12500000000000 0.28611108216201 18.998 > 25 27 F 0.95383472155265 0.12500000000000 0.28611108216201 18.998 > 25 28 F 0.28716805488599 0.62500000000000 0.28611108216201 18.998 > 25 29 F 0.62050138821932 0.62500000000000 0.28611108216201 18.998 > 25 30 F 0.95383472155265 0.62500000000000 0.28611108216201 18.998 > 25 31 F 0.12050138821932 0.12500000000000 0.21388891783799 18.998 > 31 32 F 0.45383472155265 0.12500000000000 0.21388891783799 18.998 > 31 33 F 0.78716805488599 0.12500000000000 0.21388891783799 18.998 > 31 34 F 0.12050138821932 0.62500000000000 0.21388891783799 18.998 > 31 35 F 0.45383472155265 0.62500000000000 0.21388891783799 18.998 > 31 36 F 0.78716805488599 0.62500000000000 0.21388891783799 18.998 > 31 37 F 0.04616527844735 0.37500000000000 0.71388891783799 18.998 > 37 38 F 0.37949861178068 0.37500000000000 0.71388891783799 18.998 > 37 39 F 0.71283194511401 0.37500000000000 0.71388891783799 18.998 > 37 40 F 0.04616527844735 0.87500000000000 0.71388891783799 18.998 > 37 41 F 0.37949861178068 0.87500000000000 0.71388891783799 18.998 > 37 42 F 0.71283194511401 0.87500000000000 0.71388891783799 18.998 > 37 43 F 0.21283194511401 0.37500000000000 0.78611108216201 18.998 > 43 44 F 0.54616527844735 0.37500000000000 0.78611108216201 18.998 > 43 45 F 0.87949861178068 0.37500000000000 0.78611108216201 18.998 > 43 46 F 0.21283194511401 0.87500000000000 0.78611108216201 18.998 > 43 47 F 0.54616527844735 0.87500000000000 0.78611108216201 18.998 > 43 48 F 0.87949861178068 0.87500000000000 0.78611108216201 18.998 > 43 49 F 0.07975925886908 0.01843614182372 0.38334643596134 18.998 > 49 50 F 0.41309259220242 0.01843614182372 0.38334643596134 18.998 > 49 51 F 0.74642592553575 0.01843614182372 0.38334643596134 18.998 > 49 52 F 0.07975925886908 0.51843614182372 0.38334643596134 18.998 > 49 53 F 0.41309259220242 0.51843614182372 0.38334643596134 18.998 > 49 54 F 0.74642592553575 0.51843614182372 0.38334643596134 18.998 > 49 55 F 0.24642592553575 0.23156385817628 0.11665356403866 18.998 > 55 56 F 0.57975925886908 0.23156385817628 0.11665356403866 18.998 > 55 57 F 0.91309259220242 0.23156385817628 0.11665356403866 18.998 > 55 58 F 0.24642592553575 0.73156385817628 0.11665356403866 18.998 > 55 59 F 0.57975925886908 0.73156385817628 0.11665356403866 18.998 > 55 60 F 0.91309259220242 0.73156385817628 0.11665356403866 18.998 > 55 61 F 0.25357407446425 0.26843614182372 0.61665356403866 18.998 > 61 62 F 0.58690740779758 0.26843614182372 0.61665356403866 18.998 > 61 63 F 0.92024074113092 0.26843614182372 0.61665356403866 18.998 > 61 64 F 0.25357407446425 0.76843614182372 0.61665356403866 18.998 > 61 65 F 0.58690740779758 0.76843614182372 0.61665356403866 18.998 > 61 66 F 0.92024074113092 0.76843614182372 0.61665356403866 18.998 > 61 67 F 0.08690740779758 0.48156385817628 0.88334643596134 18.998 > 67 68 F 0.42024074113092 0.48156385817628 0.88334643596134 18.998 > 67 69 F 0.75357407446425 0.48156385817628 0.88334643596134 18.998 > 67 70 F 0.08690740779758 0.98156385817628 0.88334643596134 18.998 > 67 71 F 0.42024074113092 0.98156385817628 0.88334643596134 18.998 > 67 72 F 0.75357407446425 0.98156385817628 0.88334643596134 18.998 > 67 73 F 0.25357407446425 0.48156385817628 0.61665356403866 18.998 > 73 74 F 0.58690740779758 0.48156385817628 0.61665356403866 18.998 > 73 75 F 0.92024074113092 0.48156385817628 0.61665356403866 18.998 > 73 76 F 0.25357407446425 0.98156385817628 0.61665356403866 18.998 > 73 77 F 0.58690740779758 0.98156385817628 0.61665356403866 18.998 > 73 78 F 0.92024074113092 0.98156385817628 0.61665356403866 18.998 > 73 79 F 0.08690740779758 0.26843614182372 0.88334643596134 18.998 > 79 80 F 0.42024074113092 0.26843614182372 0.88334643596134 18.998 > 79 81 F 0.75357407446425 0.26843614182372 0.88334643596134 18.998 > 79 82 F 0.08690740779758 0.76843614182372 0.88334643596134 18.998 > 79 83 F 0.42024074113092 0.76843614182372 0.88334643596134 18.998 > 79 84 F 0.75357407446425 0.76843614182372 0.88334643596134 18.998 > 79 85 F 0.07975925886908 0.23156385817628 0.38334643596134 18.998 > 85 86 F 0.41309259220242 0.23156385817628 0.38334643596134 18.998 > 85 87 F 0.74642592553575 0.23156385817628 0.38334643596134 18.998 > 85 88 F 0.07975925886908 0.73156385817628 0.38334643596134 18.998 > 85 89 F 0.41309259220242 0.73156385817628 0.38334643596134 18.998 > 85 90 F 0.74642592553575 0.73156385817628 0.38334643596134 18.998 > 85 91 F 0.24642592553575 0.01843614182372 0.11665356403866 18.998 > 91 92 F 0.57975925886908 0.01843614182372 0.11665356403866 18.998 > 91 93 F 0.91309259220242 0.01843614182372 0.11665356403866 18.998 > 91 94 F 0.24642592553575 0.51843614182372 0.11665356403866 18.998 > 91 95 F 0.57975925886908 0.51843614182372 0.11665356403866 18.998 > 91 96 F 0.91309259220242 0.51843614182372 0.11665356403866 18.998 > 91 97 Cs 0.07851133139743 0.37500000000000 0.10185448625088 132.905 > 97 98 Cs 0.41184466473076 0.37500000000000 0.10185448625088 132.905 > 97 99 Cs 0.74517799806410 0.37500000000000 0.10185448625088 132.905 > 97 100 Cs 0.07851133139743 0.87500000000000 0.10185448625088 132.905 > 97 101 Cs 0.41184466473076 0.87500000000000 0.10185448625088 132.905 > 97 102 Cs 0.74517799806410 0.87500000000000 0.10185448625088 132.905 > 97 103 Cs 0.24517799806410 0.37500000000000 0.39814551374912 132.905 > 103 104 Cs 0.57851133139743 0.37500000000000 0.39814551374912 132.905 > 103 105 Cs 0.91184466473076 0.37500000000000 0.39814551374912 132.905 > 103 106 Cs 0.24517799806410 0.87500000000000 0.39814551374912 132.905 > 103 107 Cs 0.57851133139743 0.87500000000000 0.39814551374912 132.905 > 103 108 Cs 0.91184466473076 0.87500000000000 0.39814551374912 132.905 > 103 109 Cs 0.25482200193590 0.12500000000000 0.89814551374912 132.905 > 109 110 Cs 0.58815533526924 0.12500000000000 0.89814551374912 132.905 > 109 111 Cs 0.92148866860257 0.12500000000000 0.89814551374912 132.905 > 109 112 Cs 0.25482200193590 0.62500000000000 0.89814551374912 132.905 > 109 113 Cs 0.58815533526924 0.62500000000000 0.89814551374912 132.905 > 109 114 Cs 0.92148866860257 0.62500000000000 0.89814551374912 132.905 > 109 115 Cs 0.08815533526924 0.12500000000000 0.60185448625088 132.905 > 115 116 Cs 0.42148866860257 0.12500000000000 0.60185448625088 132.905 > 115 117 Cs 0.75482200193590 0.12500000000000 0.60185448625088 132.905 > 115 118 Cs 0.08815533526924 0.62500000000000 0.60185448625088 132.905 > 115 119 Cs 0.42148866860257 0.62500000000000 0.60185448625088 132.905 > 115 120 Cs 0.75482200193590 0.62500000000000 0.60185448625088 132.905 > 115 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.0486396 0.0000000 0.0000000 0.0000000 2.0396037 0.0000000 0.0000000 0.0000000 2.0436779 -------------------------- Born effective charges -------------------------- 1 Be 1.7464030 0.0000000 -0.0420800 0.0000000 1.8001118 0.0000000 0.0566341 0.0000000 1.7930366 2 Be 1.7464030 0.0000000 0.0420800 0.0000000 1.8001118 0.0000000 -0.0566341 0.0000000 1.7930366 3 Be 1.7464030 0.0000000 -0.0420800 0.0000000 1.8001118 0.0000000 0.0566341 0.0000000 1.7930366 4 Be 1.7464030 0.0000000 0.0420800 0.0000000 1.8001118 0.0000000 -0.0566341 0.0000000 1.7930366 5 F -1.2338673 0.0000000 -0.3712273 0.0000000 -0.7526756 0.0000000 -0.3492989 0.0000000 -1.0088801 6 F -1.2338673 0.0000000 0.3712273 0.0000000 -0.7526756 0.0000000 0.3492989 0.0000000 -1.0088801 7 F -1.2338673 0.0000000 -0.3712273 0.0000000 -0.7526756 0.0000000 -0.3492989 0.0000000 -1.0088801 8 F -1.2338673 0.0000000 0.3712273 0.0000000 -0.7526756 0.0000000 0.3492989 0.0000000 -1.0088801 9 F -0.9587095 0.0600204 -0.0325753 0.0654402 -1.1891007 0.1210821 -0.0535426 0.1382532 -0.9888730 10 F -0.9587095 -0.0600204 0.0325753 -0.0654402 -1.1891007 0.1210821 0.0535426 0.1382532 -0.9888730 11 F -0.9587095 -0.0600204 -0.0325753 -0.0654402 -1.1891007 -0.1210821 -0.0535426 -0.1382532 -0.9888730 12 F -0.9587095 0.0600204 0.0325753 0.0654402 -1.1891007 -0.1210821 0.0535426 -0.1382532 -0.9888730 13 F -0.9587095 0.0600204 -0.0325753 0.0654402 -1.1891007 0.1210821 -0.0535426 0.1382532 -0.9888730 14 F -0.9587095 -0.0600204 0.0325753 -0.0654402 -1.1891007 0.1210821 0.0535426 0.1382532 -0.9888730 15 F -0.9587095 -0.0600204 -0.0325753 -0.0654402 -1.1891007 -0.1210821 -0.0535426 -0.1382532 -0.9888730 16 F -0.9587095 0.0600204 0.0325753 0.0654402 -1.1891007 -0.1210821 0.0535426 -0.1382532 -0.9888730 17 Cs 1.4048833 0.0000000 -0.0029731 0.0000000 1.3307652 0.0000000 -0.0089622 0.0000000 1.1935894 18 Cs 1.4048833 0.0000000 0.0029731 0.0000000 1.3307652 0.0000000 0.0089622 0.0000000 1.1935894 19 Cs 1.4048833 0.0000000 -0.0029731 0.0000000 1.3307652 0.0000000 -0.0089622 0.0000000 1.1935894 20 Cs 1.4048833 0.0000000 0.0029731 0.0000000 1.3307652 0.0000000 0.0089622 0.0000000 1.1935894 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) 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 8 4 ] 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: 0.58, Number of G-points: 305, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/90) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.482 ( 0.000 0.000 0.000) 0.000 0.796 ( 0.000 0.000 0.000) 0.000 0.908 ( 0.000 0.000 0.000) 0.000 1.354 ( 0.000 0.000 0.000) 0.000 1.524 ( 0.000 0.000 0.000) 0.000 1.526 ( 0.000 0.000 0.000) 0.000 1.590 ( 0.000 0.000 0.000) 0.000 1.594 ( 0.000 0.000 0.000) 0.000 1.736 ( 0.000 0.000 0.000) 0.000 1.777 ( 0.000 0.000 0.000) 0.000 1.925 ( 0.000 0.000 0.000) 0.000 2.482 ( 0.000 0.000 0.000) 0.000 2.633 ( 0.000 0.000 0.000) 0.000 2.691 ( 0.000 0.000 0.000) 0.000 2.741 ( 0.000 0.000 0.000) 0.000 2.803 ( 0.000 0.000 0.000) 0.000 2.896 ( 0.000 0.000 0.000) 0.000 2.945 ( 0.000 0.000 0.000) 0.000 3.032 ( 0.000 0.000 0.000) 0.000 3.062 ( 0.000 0.000 0.000) 0.000 3.067 ( 0.000 0.000 0.000) 0.000 3.783 ( 0.000 0.000 0.000) 0.000 4.158 ( 0.000 0.000 0.000) 0.000 5.692 ( 0.000 0.000 0.000) 0.000 5.725 ( 0.000 0.000 0.000) 0.000 5.728 ( 0.000 0.000 0.000) 0.000 5.852 ( 0.000 0.000 0.000) 0.000 7.306 ( 0.000 0.000 0.000) 0.000 7.707 ( 0.000 0.000 0.000) 0.000 7.836 ( 0.000 0.000 0.000) 0.000 7.870 ( 0.000 0.000 0.000) 0.000 8.292 ( 0.000 0.000 0.000) 0.000 8.378 ( 0.000 0.000 0.000) 0.000 8.722 ( 0.000 0.000 0.000) 0.000 8.734 ( 0.000 0.000 0.000) 0.000 11.044 ( 0.000 0.000 0.000) 0.000 11.063 ( 0.000 0.000 0.000) 0.000 11.926 ( 0.000 0.000 0.000) 0.000 11.944 ( 0.000 0.000 0.000) 0.000 12.211 ( 0.000 0.000 0.000) 0.000 12.233 ( 0.000 0.000 0.000) 0.000 13.165 ( 0.000 0.000 0.000) 0.000 13.314 ( 0.000 0.000 0.000) 0.000 17.829 ( 0.000 0.000 0.000) 0.000 17.839 ( 0.000 0.000 0.000) 0.000 18.949 ( 0.000 0.000 0.000) 0.000 18.950 ( 0.000 0.000 0.000) 0.000 21.497 ( 0.000 0.000 0.000) 0.000 21.537 ( 0.000 0.000 0.000) 0.000 23.637 ( 0.000 0.000 0.000) 0.000 24.975 ( 0.000 0.000 0.000) 0.000 25.082 ( 0.000 0.000 0.000) 0.000 25.753 ( 0.000 0.000 0.000) 0.000 26.359 ( 0.000 0.000 0.000) 0.000 26.524 ( 0.000 0.000 0.000) 0.000 26.715 ( 0.000 0.000 0.000) 0.000 26.860 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/90) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.353 ( 17.363 0.000 0.000) 17.363 0.491 ( 21.752 0.000 0.000) 21.752 0.571 ( 7.796 0.000 0.000) 7.796 0.684 ( 31.254 0.000 0.000) 31.254 1.050 ( 12.469 0.000 0.000) 12.469 1.052 ( 17.662 0.000 0.000) 17.662 1.403 ( 4.747 0.000 0.000) 4.747 1.441 ( -7.063 0.000 0.000) 7.063 1.554 ( 1.956 0.000 0.000) 1.956 1.587 ( -0.686 0.000 0.000) 0.686 1.640 ( 5.829 0.000 0.000) 5.829 1.765 ( 2.821 0.000 0.000) 2.821 1.770 ( -0.872 0.000 0.000) 0.872 1.907 ( -1.693 0.000 0.000) 1.693 2.533 ( 4.624 0.000 0.000) 4.624 2.589 ( -3.989 0.000 0.000) 3.989 2.639 ( -4.842 0.000 0.000) 4.842 2.720 ( -0.556 0.000 0.000) 0.556 2.915 ( -2.845 0.000 0.000) 2.845 3.005 ( -2.494 0.000 0.000) 2.494 3.018 ( 19.804 0.000 0.000) 19.804 3.029 ( -1.811 0.000 0.000) 1.811 3.085 ( 0.359 0.000 0.000) 0.359 3.483 ( 6.586 0.000 0.000) 6.586 3.805 ( 4.519 0.000 0.000) 4.519 4.584 ( -5.848 0.000 0.000) 5.848 5.739 ( 1.009 0.000 0.000) 1.009 5.742 ( 1.674 0.000 0.000) 1.674 5.825 ( 11.198 0.000 0.000) 11.198 5.858 ( 0.691 0.000 0.000) 0.691 7.346 ( 3.779 0.000 0.000) 3.779 7.673 ( -13.614 0.000 0.000) 13.614 7.708 ( -13.327 0.000 0.000) 13.327 7.803 ( 1.481 0.000 0.000) 1.481 8.310 ( 1.778 0.000 0.000) 1.778 8.412 ( 3.202 0.000 0.000) 3.202 8.887 ( 13.562 0.000 0.000) 13.562 8.896 ( 13.383 0.000 0.000) 13.383 11.010 ( -3.288 0.000 0.000) 3.288 11.029 ( -3.333 0.000 0.000) 3.333 11.814 ( -10.449 0.000 0.000) 10.449 11.837 ( -10.114 0.000 0.000) 10.114 11.984 ( -18.339 0.000 0.000) 18.339 12.309 ( -26.075 0.000 0.000) 26.075 13.591 ( 25.861 0.000 0.000) 25.861 13.630 ( 23.996 0.000 0.000) 23.996 17.685 ( -13.052 0.000 0.000) 13.052 17.708 ( -12.231 0.000 0.000) 12.231 19.186 ( 21.151 0.000 0.000) 21.151 21.390 ( 0.769 0.000 0.000) 0.769 21.557 ( 5.353 0.000 0.000) 5.353 21.618 ( 6.721 0.000 0.000) 6.721 23.671 ( 3.479 0.000 0.000) 3.479 24.989 ( 1.193 0.000 0.000) 1.193 25.247 ( 0.855 0.000 0.000) 0.855 25.585 ( -14.786 0.000 0.000) 14.786 26.374 ( 1.417 0.000 0.000) 1.417 26.533 ( 0.834 0.000 0.000) 0.834 26.714 ( -0.153 0.000 0.000) 0.153 26.851 ( -0.854 0.000 0.000) 0.854 ======================= Grid point 2 (3/90) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.716 ( 16.987 0.000 0.000) 16.987 0.773 ( 10.942 0.000 0.000) 10.942 0.865 ( 13.651 0.000 0.000) 13.651 1.188 ( 11.071 0.000 0.000) 11.071 1.262 ( -8.324 0.000 0.000) 8.324 1.373 ( 17.468 0.000 0.000) 17.468 1.390 ( 19.979 0.000 0.000) 19.979 1.551 ( 8.853 0.000 0.000) 8.853 1.562 ( -1.897 0.000 0.000) 1.897 1.625 ( 5.166 0.000 0.000) 5.166 1.734 ( -2.584 0.000 0.000) 2.584 1.858 ( 6.269 0.000 0.000) 6.269 1.863 ( -1.994 0.000 0.000) 1.994 1.892 ( 16.790 0.000 0.000) 16.790 2.471 ( -7.635 0.000 0.000) 7.635 2.513 ( -6.126 0.000 0.000) 6.126 2.660 ( 7.303 0.000 0.000) 7.303 2.766 ( 4.936 0.000 0.000) 4.936 2.835 ( -4.495 0.000 0.000) 4.495 2.932 ( -4.457 0.000 0.000) 4.457 2.986 ( -2.534 0.000 0.000) 2.534 3.076 ( -1.339 0.000 0.000) 1.339 3.452 ( 3.377 0.000 0.000) 3.377 3.623 ( 22.900 0.000 0.000) 22.900 4.113 ( 23.422 0.000 0.000) 23.422 4.431 ( -6.817 0.000 0.000) 6.817 5.760 ( 0.674 0.000 0.000) 0.674 5.798 ( 3.842 0.000 0.000) 3.842 5.889 ( 2.466 0.000 0.000) 2.466 6.074 ( 10.921 0.000 0.000) 10.921 7.342 ( -17.242 0.000 0.000) 17.242 7.387 ( -16.666 0.000 0.000) 16.666 7.460 ( 7.188 0.000 0.000) 7.188 7.855 ( 3.718 0.000 0.000) 3.718 8.365 ( 3.255 0.000 0.000) 3.255 8.503 ( 5.142 0.000 0.000) 5.142 9.213 ( 16.930 0.000 0.000) 16.930 9.220 ( 16.874 0.000 0.000) 16.874 10.908 ( -6.478 0.000 0.000) 6.478 10.925 ( -6.572 0.000 0.000) 6.572 11.510 ( -18.180 0.000 0.000) 18.180 11.541 ( -17.632 0.000 0.000) 17.632 11.552 ( -21.938 0.000 0.000) 21.938 11.780 ( -24.201 0.000 0.000) 24.201 14.143 ( 27.839 0.000 0.000) 27.839 14.199 ( 28.079 0.000 0.000) 28.079 17.325 ( -20.526 0.000 0.000) 20.526 17.362 ( -20.217 0.000 0.000) 20.217 19.734 ( 29.189 0.000 0.000) 29.189 21.414 ( 1.523 0.000 0.000) 1.523 21.673 ( 4.449 0.000 0.000) 4.449 21.761 ( 5.682 0.000 0.000) 5.682 23.799 ( 9.195 0.000 0.000) 9.195 25.013 ( 0.800 0.000 0.000) 0.800 25.225 ( -17.380 0.000 0.000) 17.380 25.261 ( 0.219 0.000 0.000) 0.219 26.417 ( 2.647 0.000 0.000) 2.647 26.557 ( 1.475 0.000 0.000) 1.475 26.709 ( -0.356 0.000 0.000) 0.356 26.825 ( -1.688 0.000 0.000) 1.688 ======================= Grid point 3 (4/90) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( 11.529 0.000 0.000) 11.529 1.029 ( 11.934 0.000 0.000) 11.934 1.073 ( 7.256 0.000 0.000) 7.256 1.167 ( 0.393 0.000 0.000) 0.393 1.261 ( 0.258 0.000 0.000) 0.258 1.504 ( -3.700 0.000 0.000) 3.700 1.665 ( -3.882 0.000 0.000) 3.882 1.673 ( 0.084 0.000 0.000) 0.084 1.721 ( 13.992 0.000 0.000) 13.992 1.778 ( 9.655 0.000 0.000) 9.655 1.834 ( 19.603 0.000 0.000) 19.603 1.900 ( 8.271 0.000 0.000) 8.271 2.030 ( 10.110 0.000 0.000) 10.110 2.222 ( 13.094 0.000 0.000) 13.094 2.286 ( -9.348 0.000 0.000) 9.348 2.409 ( -3.769 0.000 0.000) 3.769 2.749 ( -3.140 0.000 0.000) 3.140 2.827 ( 8.313 0.000 0.000) 8.313 2.830 ( -4.889 0.000 0.000) 4.889 2.898 ( 7.308 0.000 0.000) 7.308 2.918 ( -4.031 0.000 0.000) 4.031 3.029 ( -3.116 0.000 0.000) 3.116 3.340 ( -8.213 0.000 0.000) 8.213 3.998 ( -5.246 0.000 0.000) 5.246 4.431 ( 24.923 0.000 0.000) 24.923 4.789 ( 32.793 0.000 0.000) 32.793 5.753 ( -1.640 0.000 0.000) 1.640 5.906 ( 6.570 0.000 0.000) 6.570 5.973 ( 5.848 0.000 0.000) 5.848 6.230 ( 3.410 0.000 0.000) 3.410 6.977 ( -17.476 0.000 0.000) 17.476 7.035 ( -16.951 0.000 0.000) 16.951 7.649 ( 11.065 0.000 0.000) 11.065 7.966 ( 7.231 0.000 0.000) 7.231 8.427 ( 2.031 0.000 0.000) 2.031 8.602 ( 3.527 0.000 0.000) 3.527 9.571 ( 17.203 0.000 0.000) 17.203 9.576 ( 17.101 0.000 0.000) 17.101 10.742 ( -9.466 0.000 0.000) 9.466 10.756 ( -9.612 0.000 0.000) 9.612 11.095 ( -20.418 0.000 0.000) 20.418 11.108 ( -19.977 0.000 0.000) 19.977 11.145 ( -19.153 0.000 0.000) 19.153 11.312 ( -20.513 0.000 0.000) 20.513 14.729 ( 28.013 0.000 0.000) 28.013 14.777 ( 27.361 0.000 0.000) 27.361 16.862 ( -23.476 0.000 0.000) 23.476 16.898 ( -23.732 0.000 0.000) 23.732 20.329 ( 27.034 0.000 0.000) 27.034 21.456 ( 2.576 0.000 0.000) 2.576 21.698 ( -2.602 0.000 0.000) 2.602 21.816 ( -0.776 0.000 0.000) 0.776 24.053 ( 14.748 0.000 0.000) 14.748 24.948 ( -7.963 0.000 0.000) 7.963 25.003 ( -2.289 0.000 0.000) 2.289 25.243 ( -2.263 0.000 0.000) 2.263 26.482 ( 3.499 0.000 0.000) 3.499 26.592 ( 1.804 0.000 0.000) 1.804 26.698 ( -0.682 0.000 0.000) 0.682 26.781 ( -2.465 0.000 0.000) 2.465 ======================= Grid point 4 (5/90) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( 3.116 0.000 0.000) 3.116 1.198 ( 5.250 0.000 0.000) 5.250 1.243 ( 10.706 0.000 0.000) 10.706 1.248 ( -1.259 0.000 0.000) 1.259 1.301 ( 8.680 0.000 0.000) 8.680 1.412 ( -4.903 0.000 0.000) 4.903 1.573 ( -4.937 0.000 0.000) 4.937 1.599 ( -5.719 0.000 0.000) 5.719 1.909 ( 4.950 0.000 0.000) 4.950 2.021 ( 13.121 0.000 0.000) 13.121 2.107 ( -7.371 0.000 0.000) 7.371 2.140 ( 11.585 0.000 0.000) 11.585 2.168 ( 11.923 0.000 0.000) 11.923 2.240 ( 8.522 0.000 0.000) 8.522 2.356 ( -1.592 0.000 0.000) 1.592 2.387 ( 1.814 0.000 0.000) 1.814 2.711 ( -1.408 0.000 0.000) 1.408 2.768 ( 0.650 0.000 0.000) 0.650 2.818 ( -5.376 0.000 0.000) 5.376 2.947 ( -4.693 0.000 0.000) 4.693 2.973 ( 5.261 0.000 0.000) 5.261 3.085 ( 11.233 0.000 0.000) 11.233 3.170 ( -7.152 0.000 0.000) 7.152 3.719 ( -16.594 0.000 0.000) 16.594 5.016 ( 25.962 0.000 0.000) 25.962 5.455 ( 29.149 0.000 0.000) 29.149 5.672 ( -6.694 0.000 0.000) 6.694 6.076 ( 9.836 0.000 0.000) 9.836 6.138 ( 10.011 0.000 0.000) 10.011 6.201 ( -6.410 0.000 0.000) 6.410 6.626 ( -16.082 0.000 0.000) 16.082 6.691 ( -15.838 0.000 0.000) 15.838 7.920 ( 14.665 0.000 0.000) 14.665 8.163 ( 11.612 0.000 0.000) 11.612 8.411 ( -4.545 0.000 0.000) 4.545 8.605 ( -4.178 0.000 0.000) 4.178 9.920 ( 16.175 0.000 0.000) 16.175 9.924 ( 16.224 0.000 0.000) 16.224 10.516 ( -12.142 0.000 0.000) 12.142 10.527 ( -12.331 0.000 0.000) 12.331 10.725 ( -13.385 0.000 0.000) 13.385 10.752 ( -13.347 0.000 0.000) 13.347 10.814 ( -10.853 0.000 0.000) 10.853 10.942 ( -14.537 0.000 0.000) 14.537 15.298 ( 26.637 0.000 0.000) 26.637 15.336 ( 26.334 0.000 0.000) 26.334 16.361 ( -24.605 0.000 0.000) 24.605 16.391 ( -24.730 0.000 0.000) 24.730 20.842 ( 22.196 0.000 0.000) 22.196 21.525 ( 4.115 0.000 0.000) 4.115 21.556 ( -11.042 0.000 0.000) 11.042 21.743 ( -5.304 0.000 0.000) 5.304 24.381 ( 15.990 0.000 0.000) 15.990 24.902 ( -7.568 0.000 0.000) 7.568 24.904 ( 2.957 0.000 0.000) 2.957 25.161 ( -5.579 0.000 0.000) 5.579 26.559 ( 3.803 0.000 0.000) 3.803 26.630 ( 1.838 0.000 0.000) 1.838 26.678 ( -1.312 0.000 0.000) 1.312 26.724 ( -2.957 0.000 0.000) 2.957 ======================= Grid point 5 (6/90) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( -2.225 0.000 0.000) 2.225 1.212 ( 2.225 0.000 0.000) 2.225 1.304 ( -4.993 0.000 0.000) 4.993 1.304 ( 4.993 0.000 0.000) 4.993 1.450 ( -8.575 0.000 0.000) 8.575 1.450 ( 8.575 0.000 0.000) 8.575 1.457 ( -6.386 0.000 0.000) 6.386 1.457 ( 6.386 0.000 0.000) 6.386 1.989 ( -4.050 0.000 0.000) 4.050 1.989 ( 4.050 0.000 0.000) 4.050 2.272 ( -7.833 0.000 0.000) 7.833 2.272 ( 7.833 0.000 0.000) 7.833 2.309 ( -4.295 0.000 0.000) 4.295 2.309 ( 4.295 0.000 0.000) 4.295 2.329 ( -0.830 0.000 0.000) 0.830 2.329 ( 0.830 0.000 0.000) 0.830 2.719 ( -3.135 0.000 0.000) 3.135 2.719 ( 3.135 0.000 0.000) 3.135 2.842 ( -5.075 0.000 0.000) 5.075 2.842 ( 5.075 0.000 0.000) 5.075 3.061 ( -3.882 0.000 0.000) 3.882 3.061 ( 3.882 0.000 0.000) 3.882 3.371 ( -15.963 0.000 0.000) 15.963 3.371 ( 15.963 0.000 0.000) 15.963 5.449 ( -15.440 0.000 0.000) 15.440 5.449 ( 15.440 0.000 0.000) 15.440 5.951 ( -17.971 0.000 0.000) 17.971 5.951 ( 17.971 0.000 0.000) 17.971 6.317 ( -13.354 0.000 0.000) 13.354 6.317 ( 13.354 0.000 0.000) 13.354 6.384 ( -13.495 0.000 0.000) 13.495 6.384 ( 13.495 0.000 0.000) 13.495 8.222 ( -13.035 0.000 0.000) 13.035 8.222 ( 13.035 0.000 0.000) 13.035 8.424 ( -12.183 0.000 0.000) 12.183 8.424 ( 12.183 0.000 0.000) 12.183 10.239 ( -14.402 0.000 0.000) 14.402 10.239 ( 14.402 0.000 0.000) 14.402 10.246 ( -14.598 0.000 0.000) 14.598 10.246 ( 14.598 0.000 0.000) 14.598 10.593 ( -1.068 0.000 0.000) 1.068 10.593 ( 1.068 0.000 0.000) 1.068 10.740 ( -3.835 0.000 0.000) 3.835 10.740 ( 3.835 0.000 0.000) 3.835 15.840 ( -25.477 0.000 0.000) 25.477 15.840 ( 25.477 0.000 0.000) 25.477 15.872 ( -25.278 0.000 0.000) 25.278 15.872 ( 25.278 0.000 0.000) 25.278 21.255 ( -17.425 0.000 0.000) 17.425 21.255 ( 17.425 0.000 0.000) 17.425 21.626 ( -5.520 0.000 0.000) 5.520 21.626 ( 5.520 0.000 0.000) 5.520 24.688 ( -12.892 0.000 0.000) 12.892 24.688 ( 12.892 0.000 0.000) 12.892 25.022 ( -7.154 0.000 0.000) 7.154 25.022 ( 7.154 0.000 0.000) 7.154 26.634 ( -3.138 0.000 0.000) 3.138 26.634 ( 3.138 0.000 0.000) 3.138 26.669 ( -2.069 0.000 0.000) 2.069 26.669 ( 2.069 0.000 0.000) 2.069 ======================= Grid point 11 (7/90) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.214 ( 0.000 10.211 0.000) 10.211 0.475 ( 0.000 21.731 0.000) 21.731 0.706 ( 0.000 32.395 0.000) 32.395 0.772 ( 0.000 21.459 0.000) 21.459 0.907 ( 0.000 9.512 0.000) 9.512 1.017 ( 0.000 7.974 0.000) 7.974 1.339 ( 0.000 -2.453 0.000) 2.453 1.425 ( 0.000 -8.826 0.000) 8.826 1.455 ( 0.000 -6.271 0.000) 6.271 1.640 ( 0.000 -8.454 0.000) 8.454 1.642 ( 0.000 5.499 0.000) 5.499 1.693 ( 0.000 8.243 0.000) 8.243 1.833 ( 0.000 4.836 0.000) 4.836 1.984 ( 0.000 5.456 0.000) 5.456 2.479 ( 0.000 -0.081 0.000) 0.081 2.689 ( 0.000 0.695 0.000) 0.695 2.712 ( 0.000 1.407 0.000) 1.407 2.715 ( 0.000 2.239 0.000) 2.239 2.780 ( 0.000 -2.178 0.000) 2.178 2.823 ( 0.000 -4.064 0.000) 4.064 3.043 ( 0.000 6.178 0.000) 6.178 3.096 ( 0.000 2.631 0.000) 2.631 3.126 ( 0.000 5.340 0.000) 5.340 3.776 ( 0.000 -0.626 0.000) 0.626 4.143 ( 0.000 -1.551 0.000) 1.551 4.341 ( 0.000 -5.121 0.000) 5.121 5.708 ( 0.000 1.401 0.000) 1.401 5.715 ( 0.000 -0.927 0.000) 0.927 5.739 ( 0.000 1.051 0.000) 1.051 5.832 ( 0.000 -1.822 0.000) 1.822 7.306 ( 0.000 0.009 0.000) 0.009 7.643 ( 0.000 -5.574 0.000) 5.574 7.842 ( 0.000 0.432 0.000) 0.432 7.866 ( 0.000 -0.384 0.000) 0.384 8.287 ( 0.000 -0.405 0.000) 0.405 8.369 ( 0.000 -0.850 0.000) 0.850 8.733 ( 0.000 -0.078 0.000) 0.078 8.741 ( 0.000 1.591 0.000) 1.591 11.085 ( 0.000 1.787 0.000) 1.787 11.108 ( 0.000 0.223 0.000) 0.223 11.923 ( 0.000 -0.220 0.000) 0.220 11.939 ( 0.000 -0.520 0.000) 0.520 12.214 ( 0.000 0.308 0.000) 0.308 12.227 ( 0.000 -0.456 0.000) 0.456 13.166 ( 0.000 0.098 0.000) 0.098 13.291 ( 0.000 -1.979 0.000) 1.979 17.824 ( 0.000 -0.423 0.000) 0.423 17.835 ( 0.000 -0.347 0.000) 0.347 18.949 ( 0.000 0.024 0.000) 0.024 18.950 ( 0.000 0.021 0.000) 0.021 21.492 ( 0.000 -0.356 0.000) 0.356 21.530 ( 0.000 -0.604 0.000) 0.604 23.591 ( 0.000 -4.090 0.000) 4.090 24.973 ( 0.000 -0.181 0.000) 0.181 25.048 ( 0.000 -2.664 0.000) 2.664 25.349 ( 0.000 -30.267 0.000) 30.267 26.600 ( 0.000 15.426 0.000) 15.426 26.603 ( 0.000 7.224 0.000) 7.224 27.068 ( 0.000 18.242 0.000) 18.242 28.859 ( 0.000 -2.608 0.000) 2.608 ======================= Grid point 12 (8/90) ======================= q-point: ( 0.10 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.395 ( 13.853 4.226 0.000) 14.483 0.449 ( 9.290 9.511 0.000) 13.295 0.814 ( 3.827 18.393 0.000) 18.786 0.977 ( 11.328 4.623 0.000) 12.235 1.082 ( 18.583 15.997 0.000) 24.520 1.196 ( 12.578 9.491 0.000) 15.757 1.352 ( -6.347 -7.796 0.000) 10.053 1.378 ( 4.409 -1.526 0.000) 4.666 1.489 ( 3.065 -5.409 0.000) 6.217 1.652 ( 0.648 -1.903 0.000) 2.010 1.712 ( 7.732 6.743 0.000) 10.259 1.715 ( 2.429 2.695 0.000) 3.628 1.824 ( -0.650 4.769 0.000) 4.813 1.964 ( -1.682 5.309 0.000) 5.569 2.514 ( 2.762 -1.007 0.000) 2.940 2.661 ( -3.470 4.820 0.000) 5.939 2.669 ( -3.833 2.103 0.000) 4.372 2.695 ( 0.587 -0.828 0.000) 1.015 2.944 ( 3.387 1.706 0.000) 3.792 3.001 ( 17.958 -1.381 0.000) 18.011 3.066 ( -1.751 3.307 0.000) 3.742 3.085 ( 6.608 2.457 0.000) 7.050 3.154 ( 1.028 5.689 0.000) 5.781 3.654 ( -16.488 9.989 0.000) 19.278 3.812 ( 3.155 1.025 0.000) 3.317 4.423 ( -3.135 -11.590 0.000) 12.007 5.744 ( 2.835 0.147 0.000) 2.839 5.745 ( 0.480 0.511 0.000) 0.701 5.819 ( 9.472 -0.499 0.000) 9.485 5.896 ( 3.090 1.375 0.000) 3.383 7.306 ( 2.503 -2.080 0.000) 3.254 7.674 ( -13.777 0.117 0.000) 13.778 7.706 ( -13.254 -0.265 0.000) 13.257 7.713 ( 3.669 -6.869 0.000) 7.787 8.306 ( 1.811 -0.382 0.000) 1.851 8.401 ( 3.041 -1.063 0.000) 3.221 8.900 ( 13.829 0.460 0.000) 13.837 8.908 ( 13.765 1.846 0.000) 13.888 11.033 ( -4.208 1.556 0.000) 4.486 11.055 ( -3.596 2.056 0.000) 4.142 11.812 ( -10.463 -0.226 0.000) 10.466 11.832 ( -10.091 -0.500 0.000) 10.104 11.983 ( -18.600 -0.098 0.000) 18.600 12.203 ( -15.978 -6.736 0.000) 17.340 13.484 ( 29.478 -6.172 0.000) 30.117 13.582 ( 22.870 -1.971 0.000) 22.955 17.682 ( -12.938 -0.263 0.000) 12.940 17.704 ( -12.218 -0.375 0.000) 12.224 19.178 ( 20.515 -0.664 0.000) 20.526 20.060 ( 60.091 -54.334 0.000) 81.013 21.554 ( 5.383 -0.278 0.000) 5.391 21.610 ( 6.625 -0.729 0.000) 6.665 23.628 ( 3.887 -3.701 0.000) 5.367 24.975 ( 0.517 -0.558 0.000) 0.761 25.096 ( 3.583 -4.925 0.000) 6.090 25.241 ( -9.683 -27.048 0.000) 28.729 26.574 ( -1.915 13.947 0.000) 14.077 26.605 ( 0.193 6.625 0.000) 6.628 27.041 ( -2.499 16.691 0.000) 16.877 27.943 ( -50.770 45.166 0.000) 67.952 ======================= Grid point 13 (9/90) ======================= q-point: ( 0.20 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.708 ( 14.928 -0.267 0.000) 14.930 0.759 ( 16.062 -4.858 0.000) 16.781 0.915 ( 5.525 10.638 0.000) 11.987 1.207 ( -5.742 -4.146 0.000) 7.083 1.232 ( 9.903 1.105 0.000) 9.965 1.334 ( 9.022 -2.445 0.000) 9.347 1.407 ( 8.570 -1.644 0.000) 8.726 1.588 ( 6.521 -2.671 0.000) 7.047 1.632 ( 16.170 10.575 0.000) 19.321 1.644 ( -1.598 5.487 0.000) 5.715 1.777 ( -2.575 3.585 0.000) 4.414 1.804 ( 6.173 -3.365 0.000) 7.031 1.921 ( 1.459 4.969 0.000) 5.179 1.987 ( 12.377 7.306 0.000) 14.373 2.505 ( -5.250 2.350 0.000) 5.752 2.564 ( -4.938 4.268 0.000) 6.527 2.667 ( 5.132 1.060 0.000) 5.241 2.751 ( 4.659 -0.938 0.000) 4.753 2.899 ( -3.910 5.955 0.000) 7.124 3.025 ( -2.378 3.627 0.000) 4.337 3.089 ( -6.285 11.910 0.000) 13.466 3.150 ( -1.379 6.327 0.000) 6.476 3.422 ( 3.467 -2.656 0.000) 4.367 3.596 ( 20.600 -2.814 0.000) 20.791 4.094 ( 23.711 -1.891 0.000) 23.786 4.301 ( -5.765 -10.303 0.000) 11.806 5.751 ( -0.148 -0.804 0.000) 0.818 5.830 ( 5.396 2.655 0.000) 6.014 5.957 ( 3.344 5.337 0.000) 6.298 6.033 ( 9.409 -3.773 0.000) 10.137 7.345 ( -16.905 0.289 0.000) 16.907 7.388 ( -16.338 0.021 0.000) 16.338 7.412 ( 7.367 -3.694 0.000) 8.241 7.793 ( 4.518 -5.470 0.000) 7.095 8.361 ( 3.234 -0.354 0.000) 3.254 8.488 ( 4.988 -1.366 0.000) 5.171 9.233 ( 17.249 1.249 0.000) 17.294 9.239 ( 17.136 2.266 0.000) 17.285 10.923 ( -6.544 1.330 0.000) 6.678 10.949 ( -6.651 1.982 0.000) 6.940 11.506 ( -18.221 -0.273 0.000) 18.223 11.536 ( -17.617 -0.465 0.000) 17.623 11.547 ( -22.025 -0.381 0.000) 22.028 11.758 ( -23.070 -2.015 0.000) 23.158 14.122 ( 29.335 -4.268 0.000) 29.644 14.130 ( 29.162 -2.804 0.000) 29.296 17.324 ( -20.450 -0.074 0.000) 20.450 17.358 ( -20.184 -0.322 0.000) 20.187 19.715 ( 28.833 -1.658 0.000) 28.881 20.888 ( 23.882 -37.354 0.000) 44.336 21.670 ( 4.365 -0.328 0.000) 4.377 21.750 ( 5.510 -0.966 0.000) 5.594 23.768 ( 9.814 -2.715 0.000) 10.183 24.991 ( 0.662 -1.391 0.000) 1.540 25.000 ( -11.700 -19.066 0.000) 22.370 25.165 ( 2.528 -5.729 0.000) 6.262 26.543 ( -0.733 9.987 0.000) 10.014 26.612 ( 0.503 5.010 0.000) 5.035 26.970 ( -4.180 12.805 0.000) 13.470 27.222 ( -21.523 33.712 0.000) 39.997 ======================= Grid point 14 (10/90) ======================= q-point: ( 0.30 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( 7.011 -3.766 0.000) 7.958 1.026 ( 9.339 -3.435 0.000) 9.950 1.070 ( 9.657 -0.570 0.000) 9.673 1.172 ( 2.623 2.795 0.000) 3.833 1.295 ( -0.317 2.551 0.000) 2.571 1.576 ( 9.484 -7.632 0.000) 12.174 1.581 ( -4.337 5.812 0.000) 7.252 1.664 ( 14.169 -4.001 0.000) 14.723 1.692 ( -4.056 0.915 0.000) 4.157 1.761 ( 9.765 -0.834 0.000) 9.800 1.788 ( 2.231 1.292 0.000) 2.578 1.963 ( 8.595 -4.790 0.000) 9.839 2.071 ( 10.721 8.319 0.000) 13.570 2.232 ( 9.364 1.550 0.000) 9.492 2.361 ( -7.239 6.095 0.000) 9.464 2.488 ( -2.435 6.246 0.000) 6.704 2.809 ( 7.498 -1.502 0.000) 7.647 2.831 ( -1.932 7.335 0.000) 7.585 2.868 ( 5.938 -2.043 0.000) 6.279 2.943 ( -6.530 9.486 0.000) 11.517 2.965 ( -3.032 4.097 0.000) 5.097 3.101 ( -3.097 5.996 0.000) 6.748 3.322 ( -7.533 -1.624 0.000) 7.706 3.879 ( -5.843 -10.613 0.000) 12.115 4.426 ( 25.549 -0.393 0.000) 25.552 4.733 ( 32.613 -4.677 0.000) 32.947 5.727 ( -2.487 -2.383 0.000) 3.444 5.969 ( 7.895 5.323 0.000) 9.522 6.053 ( 6.234 6.996 0.000) 9.371 6.161 ( 2.226 -6.238 0.000) 6.623 6.994 ( -16.508 1.505 0.000) 16.577 7.050 ( -15.750 1.316 0.000) 15.805 7.610 ( 11.696 -3.249 0.000) 12.139 7.918 ( 7.831 -4.360 0.000) 8.963 8.422 ( 1.969 -0.430 0.000) 2.016 8.584 ( 3.409 -1.628 0.000) 3.778 9.596 ( 17.297 1.832 0.000) 17.394 9.601 ( 17.297 2.536 0.000) 17.482 10.758 ( -9.381 1.420 0.000) 9.488 10.779 ( -9.600 2.028 0.000) 9.812 11.091 ( -20.461 -0.347 0.000) 20.464 11.102 ( -19.991 -0.465 0.000) 19.997 11.139 ( -19.187 -0.491 0.000) 19.193 11.300 ( -20.328 -1.162 0.000) 20.361 14.716 ( 28.213 -1.335 0.000) 28.245 14.739 ( 28.529 -2.992 0.000) 28.686 16.862 ( -23.498 -0.025 0.000) 23.498 16.895 ( -23.775 -0.318 0.000) 23.777 20.308 ( 27.151 -1.855 0.000) 27.215 21.226 ( 11.191 -18.992 0.000) 22.044 21.692 ( -2.728 -0.533 0.000) 2.780 21.800 ( -1.124 -1.449 0.000) 1.834 24.034 ( 15.269 -1.631 0.000) 15.356 24.825 ( -3.971 -10.882 0.000) 11.584 24.982 ( -1.999 -1.488 0.000) 2.492 25.185 ( -0.864 -4.468 0.000) 4.550 26.549 ( 1.306 5.775 0.000) 5.920 26.627 ( 1.008 3.237 0.000) 3.391 26.874 ( -4.892 8.242 0.000) 9.584 26.918 ( -9.605 17.188 0.000) 19.689 ======================= Grid point 15 (11/90) ======================= q-point: ( 0.40 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( 6.563 -5.305 0.000) 8.439 1.166 ( 4.333 -2.140 0.000) 4.832 1.213 ( 5.114 -3.852 0.000) 6.403 1.282 ( -0.186 2.467 0.000) 2.474 1.308 ( 7.736 1.818 0.000) 7.946 1.480 ( -4.506 4.359 0.000) 6.269 1.529 ( -7.475 -3.530 0.000) 8.267 1.626 ( -4.613 1.161 0.000) 4.757 1.910 ( 6.339 -0.638 0.000) 6.371 1.955 ( 6.847 -2.507 0.000) 7.291 1.996 ( 15.391 -7.094 0.000) 16.947 2.126 ( 6.150 -4.827 0.000) 7.818 2.222 ( 3.759 -1.315 0.000) 3.982 2.260 ( -0.748 7.566 0.000) 7.603 2.368 ( 3.308 0.923 0.000) 3.435 2.441 ( -3.155 5.069 0.000) 5.970 2.813 ( -0.769 8.428 0.000) 8.463 2.863 ( 0.006 7.880 0.000) 7.880 2.880 ( -3.210 5.315 0.000) 6.209 2.943 ( 4.527 -2.705 0.000) 5.273 2.976 ( -0.904 2.109 0.000) 2.295 3.092 ( 7.156 1.362 0.000) 7.284 3.158 ( -7.417 -1.036 0.000) 7.489 3.634 ( -14.308 -7.557 0.000) 16.181 4.991 ( 24.702 -2.075 0.000) 24.789 5.375 ( 27.532 -6.594 0.000) 28.311 5.631 ( -7.220 -3.636 0.000) 8.084 6.107 ( -7.609 -8.097 0.000) 11.111 6.156 ( 10.002 6.916 0.000) 12.160 6.227 ( 10.494 7.489 0.000) 12.892 6.668 ( -14.655 3.733 0.000) 15.123 6.743 ( -13.688 4.128 0.000) 14.297 7.896 ( 15.367 -2.071 0.000) 15.506 8.127 ( 12.210 -3.247 0.000) 12.635 8.404 ( -4.663 -0.564 0.000) 4.697 8.585 ( -4.306 -1.833 0.000) 4.680 9.944 ( 16.046 1.974 0.000) 16.167 9.951 ( 16.254 2.608 0.000) 16.462 10.534 ( -12.087 1.478 0.000) 12.177 10.551 ( -12.262 2.210 0.000) 12.460 10.720 ( -13.424 -0.427 0.000) 13.430 10.747 ( -13.312 -0.448 0.000) 13.319 10.808 ( -10.905 -0.599 0.000) 10.922 10.933 ( -14.400 -0.856 0.000) 14.425 15.289 ( 26.849 -0.869 0.000) 26.863 15.316 ( 26.902 -1.690 0.000) 26.955 16.359 ( -24.711 -0.156 0.000) 24.711 16.386 ( -24.916 -0.526 0.000) 24.922 20.825 ( 22.475 -1.454 0.000) 22.522 21.417 ( 7.930 -9.469 0.000) 12.351 21.547 ( -11.159 -0.759 0.000) 11.185 21.717 ( -6.073 -2.410 0.000) 6.534 24.371 ( 16.244 -0.905 0.000) 16.269 24.842 ( 4.920 -5.586 0.000) 7.444 24.889 ( -7.227 -1.035 0.000) 7.301 25.123 ( -5.072 -3.320 0.000) 6.063 26.594 ( 2.944 3.170 0.000) 4.326 26.656 ( 1.769 2.308 0.000) 2.908 26.764 ( -5.278 6.162 0.000) 8.114 26.781 ( -4.513 6.146 0.000) 7.625 ======================= Grid point 16 (12/90) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( -2.626 -2.386 0.000) 3.548 1.182 ( 2.626 -2.386 0.000) 3.548 1.313 ( -0.395 -0.968 0.000) 1.045 1.313 ( 0.395 -0.968 0.000) 1.045 1.373 ( -4.681 -2.705 0.000) 5.407 1.373 ( 4.681 -2.705 0.000) 5.407 1.507 ( -6.176 1.482 0.000) 6.352 1.507 ( 6.176 1.482 0.000) 6.352 1.989 ( -1.886 -0.020 0.000) 1.886 1.989 ( 1.886 -0.020 0.000) 1.886 2.217 ( -0.441 -5.518 0.000) 5.535 2.217 ( 0.441 -5.518 0.000) 5.535 2.272 ( -4.472 -1.462 0.000) 4.705 2.272 ( 4.472 -1.462 0.000) 4.705 2.367 ( -0.665 3.460 0.000) 3.523 2.367 ( 0.665 3.460 0.000) 3.523 2.824 ( -1.913 8.128 0.000) 8.350 2.824 ( 1.913 8.128 0.000) 8.350 2.903 ( -3.150 5.495 0.000) 6.334 2.903 ( 3.150 5.495 0.000) 6.334 3.037 ( -4.345 -1.995 0.000) 4.781 3.037 ( 4.345 -1.995 0.000) 4.781 3.333 ( -13.942 -3.390 0.000) 14.348 3.333 ( 13.942 -3.390 0.000) 14.348 5.405 ( -15.019 -3.694 0.000) 15.467 5.405 ( 15.019 -3.694 0.000) 15.467 5.845 ( -17.526 -8.475 0.000) 19.468 5.845 ( 17.526 -8.475 0.000) 19.468 6.387 ( -12.305 6.056 0.000) 13.715 6.387 ( 12.305 6.056 0.000) 13.715 6.472 ( -12.557 6.830 0.000) 14.295 6.472 ( 12.557 6.830 0.000) 14.295 8.210 ( -13.455 -1.020 0.000) 13.494 8.210 ( 13.455 -1.020 0.000) 13.494 8.399 ( -12.574 -2.274 0.000) 12.777 8.399 ( 12.574 -2.274 0.000) 12.777 10.259 ( -14.185 1.677 0.000) 14.283 10.259 ( 14.185 1.677 0.000) 14.283 10.272 ( -14.496 2.465 0.000) 14.704 10.272 ( 14.496 2.465 0.000) 14.704 10.587 ( -1.083 -0.444 0.000) 1.171 10.587 ( 1.084 -0.444 0.000) 1.171 10.733 ( -3.802 -0.685 0.000) 3.863 10.733 ( 3.802 -0.685 0.000) 3.863 15.835 ( -25.664 -0.442 0.000) 25.668 15.835 ( 25.664 -0.442 0.000) 25.668 15.861 ( -25.589 -0.978 0.000) 25.608 15.861 ( 25.589 -0.978 0.000) 25.608 21.243 ( -17.616 -1.011 0.000) 17.645 21.243 ( 17.616 -1.011 0.000) 17.645 21.574 ( -7.320 -4.682 0.000) 8.689 21.574 ( 7.320 -4.682 0.000) 8.689 24.679 ( -12.822 -0.710 0.000) 12.842 24.679 ( 12.822 -0.710 0.000) 12.842 24.985 ( -7.633 -3.404 0.000) 8.357 24.985 ( 7.633 -3.404 0.000) 8.357 26.668 ( -4.071 3.000 0.000) 5.057 26.668 ( 4.071 3.000 0.000) 5.057 26.704 ( -2.948 3.126 0.000) 4.296 26.704 ( 2.948 3.126 0.000) 4.296 ======================= Grid point 22 (13/90) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.420 ( 0.000 9.471 0.000) 9.471 0.865 ( 0.000 14.131 0.000) 14.131 1.085 ( 0.000 5.805 0.000) 5.805 1.167 ( 0.000 0.379 0.000) 0.379 1.176 ( 0.000 8.267 0.000) 8.267 1.251 ( 0.000 6.233 0.000) 6.233 1.289 ( 0.000 -8.859 0.000) 8.859 1.309 ( 0.000 11.711 0.000) 11.711 1.356 ( 0.000 17.880 0.000) 17.880 1.433 ( 0.000 -8.871 0.000) 8.871 1.796 ( 0.000 7.447 0.000) 7.447 1.864 ( 0.000 6.492 0.000) 6.492 1.960 ( 0.000 7.312 0.000) 7.312 2.146 ( 0.000 9.619 0.000) 9.619 2.487 ( 0.000 0.823 0.000) 0.823 2.617 ( 0.000 -3.967 0.000) 3.967 2.715 ( 0.000 -3.874 0.000) 3.874 2.739 ( 0.000 -3.853 0.000) 3.853 2.781 ( 0.000 3.989 0.000) 3.989 2.824 ( 0.000 5.413 0.000) 5.413 3.167 ( 0.000 3.999 0.000) 3.999 3.179 ( 0.000 6.861 0.000) 6.861 3.245 ( 0.000 5.342 0.000) 5.342 3.762 ( 0.000 -0.575 0.000) 0.575 4.088 ( 0.000 -3.754 0.000) 3.754 4.186 ( 0.000 -9.580 0.000) 9.580 5.692 ( 0.000 -1.109 0.000) 1.109 5.745 ( 0.000 2.014 0.000) 2.014 5.767 ( 0.000 1.489 0.000) 1.489 5.782 ( 0.000 -2.784 0.000) 2.784 7.307 ( 0.000 0.093 0.000) 0.093 7.508 ( 0.000 -6.541 0.000) 6.541 7.849 ( 0.000 0.197 0.000) 0.197 7.856 ( 0.000 -0.493 0.000) 0.493 8.278 ( 0.000 -0.367 0.000) 0.367 8.345 ( 0.000 -1.407 0.000) 1.407 8.735 ( 0.000 0.370 0.000) 0.370 8.775 ( 0.000 1.386 0.000) 1.386 11.115 ( 0.000 0.460 0.000) 0.460 11.123 ( 0.000 1.594 0.000) 1.594 11.918 ( 0.000 -0.262 0.000) 0.262 11.926 ( 0.000 -0.638 0.000) 0.638 12.219 ( 0.000 -0.257 0.000) 0.257 12.222 ( 0.000 0.341 0.000) 0.341 13.169 ( 0.000 0.186 0.000) 0.186 13.244 ( 0.000 -2.183 0.000) 2.183 17.814 ( 0.000 -0.434 0.000) 0.434 17.826 ( 0.000 -0.498 0.000) 0.498 18.950 ( 0.000 0.041 0.000) 0.041 18.951 ( 0.000 0.027 0.000) 0.027 21.484 ( 0.000 -0.409 0.000) 0.409 21.514 ( 0.000 -0.927 0.000) 0.927 23.497 ( 0.000 -3.976 0.000) 3.976 24.665 ( 0.000 -33.168 0.000) 33.168 24.968 ( 0.000 -0.284 0.000) 0.284 24.996 ( 0.000 -2.029 0.000) 2.029 26.796 ( 0.000 10.370 0.000) 10.370 26.888 ( 0.000 11.666 0.000) 11.666 27.525 ( 0.000 23.589 0.000) 23.589 28.774 ( 0.000 -5.731 0.000) 5.731 ======================= Grid point 23 (14/90) ======================= q-point: ( 0.10 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.514 ( 8.330 6.666 0.000) 10.669 0.772 ( -5.652 17.003 0.000) 17.918 1.052 ( 3.052 3.368 0.000) 4.546 1.103 ( -4.882 -2.523 0.000) 5.495 1.209 ( 2.495 1.504 0.000) 2.913 1.217 ( -1.455 1.720 0.000) 2.252 1.386 ( 2.974 3.126 0.000) 4.315 1.393 ( 7.246 -0.413 0.000) 7.258 1.488 ( 4.882 -7.520 0.000) 8.966 1.593 ( 16.726 20.292 0.000) 26.296 1.867 ( 5.887 6.772 0.000) 8.973 1.870 ( 0.352 6.711 0.000) 6.720 1.952 ( 0.135 7.381 0.000) 7.382 2.116 ( -2.421 8.434 0.000) 8.775 2.502 ( 1.403 -0.054 0.000) 1.404 2.621 ( 0.669 -3.263 0.000) 3.331 2.751 ( -2.902 4.553 0.000) 5.399 2.797 ( -1.628 5.853 0.000) 6.075 2.930 ( 19.140 -2.743 0.000) 19.336 2.951 ( 16.743 -4.150 0.000) 17.249 3.156 ( -0.845 5.061 0.000) 5.131 3.157 ( -1.316 5.846 0.000) 5.992 3.279 ( 2.054 5.524 0.000) 5.894 3.747 ( -6.097 0.522 0.000) 6.119 3.850 ( -8.741 1.032 0.000) 8.802 4.186 ( -3.470 -10.693 0.000) 11.242 5.749 ( 5.314 0.376 0.000) 5.328 5.759 ( -0.739 0.794 0.000) 1.084 5.808 ( 5.404 -0.479 0.000) 5.426 5.889 ( 7.934 -1.711 0.000) 8.116 7.287 ( -0.011 0.067 0.000) 0.068 7.560 ( 3.846 -7.247 0.000) 8.204 7.676 ( -13.930 0.015 0.000) 13.930 7.698 ( -13.181 -0.467 0.000) 13.189 8.297 ( 1.866 -0.391 0.000) 1.906 8.371 ( 2.647 -1.716 0.000) 3.154 8.916 ( 14.785 1.039 0.000) 14.822 8.950 ( 14.353 1.837 0.000) 14.470 11.065 ( -3.973 1.412 0.000) 4.217 11.094 ( -3.207 1.517 0.000) 3.548 11.806 ( -10.467 -0.242 0.000) 10.470 11.819 ( -10.066 -0.636 0.000) 10.086 11.982 ( -19.016 0.055 0.000) 19.016 12.094 ( -13.772 -3.749 0.000) 14.274 13.421 ( 23.913 -0.656 0.000) 23.922 13.537 ( 23.241 -2.253 0.000) 23.350 17.676 ( -12.677 -0.248 0.000) 12.680 17.694 ( -12.205 -0.526 0.000) 12.216 19.164 ( 19.322 -0.584 0.000) 19.331 19.431 ( 38.364 -14.943 0.000) 41.172 21.547 ( 5.467 -0.290 0.000) 5.475 21.590 ( 6.380 -1.115 0.000) 6.477 23.544 ( 4.733 -3.570 0.000) 5.928 24.620 ( -3.877 -30.387 0.000) 30.634 24.967 ( 0.072 -0.282 0.000) 0.291 25.019 ( 1.997 -2.676 0.000) 3.338 26.781 ( -1.365 9.464 0.000) 9.562 26.846 ( -3.681 11.225 0.000) 11.813 27.460 ( -6.017 21.618 0.000) 22.440 28.400 ( -30.224 6.912 0.000) 31.005 ======================= Grid point 24 (15/90) ======================= q-point: ( 0.20 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.721 ( 10.258 1.669 0.000) 10.392 0.774 ( 6.566 6.284 0.000) 9.089 1.002 ( -3.534 -3.776 0.000) 5.172 1.212 ( 1.035 4.268 0.000) 4.392 1.220 ( 11.764 -1.853 0.000) 11.909 1.287 ( 5.352 -1.585 0.000) 5.582 1.397 ( -0.488 1.348 0.000) 1.434 1.563 ( 8.467 -0.919 0.000) 8.517 1.616 ( 6.911 -2.915 0.000) 7.501 1.846 ( -1.431 6.931 0.000) 7.077 1.868 ( -0.366 6.426 0.000) 6.437 1.886 ( 1.371 7.355 0.000) 7.482 2.057 ( 6.536 7.454 0.000) 9.914 2.127 ( 7.121 5.570 0.000) 9.041 2.529 ( 0.345 0.081 0.000) 0.355 2.650 ( 0.675 0.175 0.000) 0.697 2.687 ( -0.636 3.587 0.000) 3.642 2.784 ( 0.660 4.192 0.000) 4.244 3.066 ( -2.570 9.447 0.000) 9.790 3.131 ( -1.694 6.362 0.000) 6.584 3.261 ( 4.444 0.730 0.000) 4.504 3.295 ( -0.919 6.562 0.000) 6.626 3.378 ( 6.006 -0.567 0.000) 6.033 3.506 ( 3.161 -4.423 0.000) 5.436 4.026 ( 19.943 -4.430 0.000) 20.430 4.118 ( 2.193 -5.599 0.000) 6.013 5.731 ( -2.018 -0.889 0.000) 2.206 5.898 ( 8.702 3.701 0.000) 9.457 5.932 ( 5.417 -5.416 0.000) 7.661 6.054 ( 7.641 3.145 0.000) 8.263 7.348 ( 6.132 -1.763 0.000) 6.381 7.353 ( -16.026 0.473 0.000) 16.033 7.387 ( -15.527 -0.083 0.000) 15.527 7.655 ( 5.488 -7.154 0.000) 9.016 8.353 ( 3.241 -0.315 0.000) 3.257 8.450 ( 4.609 -2.158 0.000) 5.089 9.268 ( 18.096 1.983 0.000) 18.204 9.294 ( 17.665 2.554 0.000) 17.849 10.958 ( -6.398 1.836 0.000) 6.657 10.993 ( -6.445 1.935 0.000) 6.729 11.501 ( -18.277 -0.236 0.000) 18.278 11.524 ( -17.628 -0.657 0.000) 17.640 11.541 ( -22.157 -0.081 0.000) 22.157 11.703 ( -21.460 -3.065 0.000) 21.678 14.024 ( 31.173 -3.233 0.000) 31.340 14.090 ( 28.548 -2.040 0.000) 28.621 17.323 ( -20.288 -0.005 0.000) 20.288 17.349 ( -20.121 -0.484 0.000) 20.127 19.678 ( 28.112 -1.510 0.000) 28.153 20.228 ( 34.176 -23.903 0.000) 41.706 21.662 ( 4.186 -0.327 0.000) 4.199 21.724 ( 5.076 -1.488 0.000) 5.290 23.706 ( 11.085 -2.553 0.000) 11.375 24.541 ( -2.653 -23.060 0.000) 23.212 24.971 ( 0.148 -0.527 0.000) 0.547 25.067 ( 2.167 -3.694 0.000) 4.283 26.744 ( -2.015 7.301 0.000) 7.574 26.757 ( -4.178 9.274 0.000) 10.172 27.292 ( -9.573 16.656 0.000) 19.211 27.753 ( -28.719 15.940 0.000) 32.847 ======================= Grid point 25 (16/90) ======================= q-point: ( 0.30 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.878 ( 4.403 -2.031 0.000) 4.849 0.971 ( 9.863 -1.077 0.000) 9.922 1.015 ( 4.961 -3.310 0.000) 5.964 1.255 ( 3.076 3.569 0.000) 4.711 1.349 ( -0.508 2.026 0.000) 2.089 1.442 ( 9.201 -4.285 0.000) 10.150 1.556 ( 16.031 -6.046 0.000) 17.133 1.647 ( -2.207 -1.890 0.000) 2.905 1.703 ( -8.859 0.181 0.000) 8.861 1.784 ( 8.979 3.723 0.000) 9.721 1.838 ( -4.370 2.407 0.000) 4.989 1.907 ( 5.427 0.923 0.000) 5.505 2.168 ( 2.563 2.103 0.000) 3.316 2.318 ( 8.192 5.251 0.000) 9.730 2.490 ( -3.461 5.218 0.000) 6.261 2.622 ( -1.953 6.127 0.000) 6.431 2.765 ( 5.189 -2.926 0.000) 5.957 2.835 ( 4.408 -0.595 0.000) 4.448 3.019 ( -1.319 9.827 0.000) 9.915 3.087 ( -2.220 7.352 0.000) 7.680 3.154 ( -8.499 9.268 0.000) 12.575 3.242 ( -3.765 6.788 0.000) 7.762 3.278 ( -5.568 -2.321 0.000) 6.032 3.611 ( -4.809 -13.474 0.000) 14.307 4.418 ( 26.033 -0.266 0.000) 26.034 4.625 ( 30.872 -5.253 0.000) 31.316 5.668 ( -4.203 -2.755 0.000) 5.025 5.993 ( -0.274 -9.221 0.000) 9.225 6.101 ( 10.588 6.896 0.000) 12.635 6.213 ( 7.968 7.183 0.000) 10.727 7.034 ( -14.347 2.154 0.000) 14.508 7.081 ( -13.482 1.475 0.000) 13.563 7.541 ( 12.305 -2.679 0.000) 12.593 7.802 ( 9.053 -6.271 0.000) 11.013 8.413 ( 1.890 -0.297 0.000) 1.913 8.539 ( 3.107 -2.574 0.000) 4.035 9.645 ( 17.771 2.678 0.000) 17.971 9.663 ( 17.589 3.086 0.000) 17.857 10.796 ( -9.231 2.099 0.000) 9.467 10.829 ( -9.292 2.378 0.000) 9.591 11.084 ( -20.528 -0.259 0.000) 20.530 11.094 ( -20.035 -0.123 0.000) 20.035 11.126 ( -19.332 -0.792 0.000) 19.348 11.264 ( -19.846 -2.315 0.000) 19.980 14.664 ( 29.871 -2.850 0.000) 30.007 14.691 ( 28.804 -1.786 0.000) 28.859 16.862 ( -23.578 0.026 0.000) 23.578 16.886 ( -23.863 -0.477 0.000) 23.868 20.266 ( 27.348 -1.727 0.000) 27.402 20.807 ( 22.081 -18.836 0.000) 29.024 21.680 ( -3.002 -0.566 0.000) 3.055 21.761 ( -1.926 -2.168 0.000) 2.900 23.998 ( 16.341 -1.445 0.000) 16.405 24.549 ( 3.881 -14.420 0.000) 14.934 24.958 ( -1.913 -0.706 0.000) 2.039 25.091 ( -0.265 -4.137 0.000) 4.145 26.685 ( -2.167 6.477 0.000) 6.830 26.713 ( -0.999 4.574 0.000) 4.682 27.083 ( -10.082 10.815 0.000) 14.786 27.255 ( -19.092 12.992 0.000) 23.094 ======================= Grid point 26 (17/90) ======================= q-point: ( 0.40 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( 6.286 -3.782 0.000) 7.336 1.124 ( 4.367 -1.859 0.000) 4.746 1.127 ( 4.757 -4.120 0.000) 6.293 1.338 ( 4.597 0.974 0.000) 4.699 1.339 ( 0.125 2.570 0.000) 2.573 1.429 ( -10.829 -5.577 0.000) 12.180 1.543 ( -5.775 0.872 0.000) 5.841 1.624 ( -2.512 -1.356 0.000) 2.854 1.823 ( 7.153 -5.449 0.000) 8.992 1.919 ( 17.160 -3.247 0.000) 17.465 1.936 ( 4.816 0.421 0.000) 4.834 2.047 ( 6.514 -1.459 0.000) 6.675 2.177 ( -0.940 -0.127 0.000) 0.949 2.416 ( 1.415 1.952 0.000) 2.410 2.422 ( -3.216 6.889 0.000) 7.603 2.531 ( -7.000 3.481 0.000) 7.818 2.869 ( 4.797 -3.824 0.000) 6.134 2.951 ( 5.106 -0.593 0.000) 5.140 3.005 ( -0.872 9.063 0.000) 9.105 3.043 ( -1.331 8.145 0.000) 8.253 3.060 ( 0.243 7.290 0.000) 7.294 3.136 ( -7.605 -0.543 0.000) 7.624 3.167 ( -1.982 5.264 0.000) 5.624 3.447 ( -9.353 -9.308 0.000) 13.195 4.947 ( 22.438 -1.819 0.000) 22.511 5.220 ( 25.012 -7.731 0.000) 26.180 5.546 ( -7.894 -3.835 0.000) 8.776 5.904 ( -8.366 -10.626 0.000) 13.524 6.324 ( 10.413 8.450 0.000) 13.410 6.399 ( 10.070 7.995 0.000) 12.858 6.762 ( -11.826 4.809 0.000) 12.767 6.832 ( -10.687 3.933 0.000) 11.388 7.849 ( 16.680 -1.975 0.000) 16.797 8.040 ( 13.640 -4.796 0.000) 14.459 8.392 ( -4.908 -0.399 0.000) 4.924 8.535 ( -4.582 -2.878 0.000) 5.411 9.997 ( 15.924 2.909 0.000) 16.188 10.017 ( 16.286 3.331 0.000) 16.623 10.573 ( -12.070 2.150 0.000) 12.260 10.608 ( -11.865 2.868 0.000) 12.207 10.712 ( -13.481 -0.280 0.000) 13.484 10.739 ( -13.305 -0.158 0.000) 13.306 10.789 ( -11.148 -1.121 0.000) 11.204 10.906 ( -13.980 -1.755 0.000) 14.089 15.263 ( 27.736 -1.597 0.000) 27.782 15.279 ( 27.534 -1.622 0.000) 27.582 16.355 ( -24.994 -0.213 0.000) 24.995 16.372 ( -25.319 -0.710 0.000) 25.329 20.792 ( 23.012 -1.359 0.000) 23.052 21.184 ( 14.921 -11.655 0.000) 18.934 21.529 ( -11.371 -0.796 0.000) 11.399 21.653 ( -7.847 -3.453 0.000) 8.573 24.352 ( 16.797 -0.684 0.000) 16.811 24.693 ( 9.241 -8.101 0.000) 12.289 24.871 ( -6.857 -0.558 0.000) 6.879 25.040 ( -4.826 -4.216 0.000) 6.408 26.675 ( 1.329 4.128 0.000) 4.337 26.715 ( 1.407 3.037 0.000) 3.347 26.888 ( -8.403 6.130 0.000) 10.402 26.946 ( -11.004 7.491 0.000) 13.312 ======================= Grid point 27 (18/90) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( -5.424 -2.941 0.000) 6.170 1.125 ( 5.424 -2.941 0.000) 6.170 1.221 ( -6.148 -5.523 0.000) 8.265 1.221 ( 6.148 -5.523 0.000) 8.265 1.378 ( -2.353 1.084 0.000) 2.591 1.378 ( 2.353 1.084 0.000) 2.591 1.512 ( -4.868 -0.979 0.000) 4.965 1.512 ( 4.868 -0.979 0.000) 4.965 1.964 ( -2.867 -2.725 0.000) 3.956 1.964 ( 2.867 -2.725 0.000) 3.956 2.141 ( -2.155 -0.618 0.000) 2.241 2.141 ( 2.155 -0.618 0.000) 2.241 2.255 ( -13.438 -0.434 0.000) 13.445 2.255 ( 13.438 -0.434 0.000) 13.445 2.428 ( -1.438 2.035 0.000) 2.492 2.428 ( 1.438 2.035 0.000) 2.492 2.978 ( -4.922 0.654 0.000) 4.965 2.978 ( 4.922 0.654 0.000) 4.965 2.998 ( -1.925 4.460 0.000) 4.858 2.998 ( 1.925 4.460 0.000) 4.858 3.055 ( -1.221 7.333 0.000) 7.434 3.055 ( 1.221 7.333 0.000) 7.434 3.251 ( -8.698 -3.628 0.000) 9.425 3.251 ( 8.698 -3.628 0.000) 9.425 5.323 ( -13.968 -3.472 0.000) 14.393 5.323 ( 13.968 -3.472 0.000) 14.393 5.648 ( -16.278 -9.809 0.000) 19.005 5.648 ( 16.278 -9.809 0.000) 19.005 6.535 ( -10.195 7.396 0.000) 12.595 6.535 ( 10.195 7.396 0.000) 12.595 6.617 ( -10.411 6.382 0.000) 12.211 6.617 ( 10.411 6.382 0.000) 12.211 8.188 ( -14.323 -0.913 0.000) 14.352 8.188 ( 14.323 -0.913 0.000) 14.352 8.337 ( -13.463 -3.425 0.000) 13.892 8.337 ( 13.463 -3.425 0.000) 13.892 10.304 ( -13.665 2.509 0.000) 13.894 10.304 ( 13.665 2.509 0.000) 13.894 10.336 ( -14.252 3.261 0.000) 14.620 10.336 ( 14.252 3.261 0.000) 14.620 10.579 ( -1.129 -0.237 0.000) 1.154 10.579 ( 1.129 -0.237 0.000) 1.154 10.712 ( -3.682 -1.426 0.000) 3.948 10.712 ( 3.682 -1.426 0.000) 3.948 15.823 ( -26.193 -0.690 0.000) 26.203 15.823 ( 26.193 -0.690 0.000) 26.203 15.837 ( -26.180 -1.212 0.000) 26.208 15.837 ( 26.180 -1.212 0.000) 26.208 21.220 ( -17.964 -0.971 0.000) 17.991 21.220 ( 17.964 -0.971 0.000) 17.991 21.453 ( -11.220 -6.397 0.000) 12.915 21.453 ( 11.220 -6.397 0.000) 12.915 24.665 ( -12.796 -0.416 0.000) 12.802 24.665 ( 12.796 -0.416 0.000) 12.802 24.893 ( -9.009 -5.066 0.000) 10.336 24.893 ( 9.009 -5.066 0.000) 10.336 26.743 ( -5.244 3.866 0.000) 6.515 26.743 ( 5.244 3.866 0.000) 6.515 26.781 ( -5.224 3.778 0.000) 6.448 26.781 ( 5.224 3.778 0.000) 6.448 ======================= Grid point 33 (19/90) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.607 ( 0.000 8.511 0.000) 8.511 0.972 ( 0.000 -9.922 0.000) 9.922 1.033 ( 0.000 3.644 0.000) 3.644 1.113 ( 0.000 -1.082 0.000) 1.082 1.124 ( 0.000 -6.069 0.000) 6.069 1.185 ( 0.000 -8.575 0.000) 8.575 1.389 ( 0.000 10.210 0.000) 10.210 1.457 ( 0.000 6.532 0.000) 6.532 1.616 ( 0.000 13.982 0.000) 13.982 1.775 ( 0.000 14.407 0.000) 14.407 1.912 ( 0.000 3.716 0.000) 3.716 1.925 ( 0.000 -0.694 0.000) 0.694 2.134 ( 0.000 8.897 0.000) 8.897 2.305 ( 0.000 3.413 0.000) 3.413 2.506 ( 0.000 0.754 0.000) 0.754 2.548 ( 0.000 -2.399 0.000) 2.399 2.638 ( 0.000 -2.691 0.000) 2.691 2.676 ( 0.000 -2.042 0.000) 2.042 2.870 ( 0.000 4.058 0.000) 4.058 2.910 ( 0.000 2.607 0.000) 2.607 3.254 ( 0.000 4.081 0.000) 4.081 3.325 ( 0.000 1.956 0.000) 1.956 3.346 ( 0.000 9.871 0.000) 9.871 3.749 ( 0.000 -1.577 0.000) 1.577 3.964 ( 0.000 -10.220 0.000) 10.220 3.990 ( 0.000 -5.308 0.000) 5.308 5.676 ( 0.000 -0.265 0.000) 0.265 5.725 ( 0.000 -2.499 0.000) 2.499 5.784 ( 0.000 1.516 0.000) 1.516 5.794 ( 0.000 0.985 0.000) 0.985 7.312 ( 0.000 0.504 0.000) 0.504 7.394 ( 0.000 -4.198 0.000) 4.198 7.848 ( 0.000 -0.255 0.000) 0.255 7.849 ( 0.000 -0.137 0.000) 0.137 8.276 ( 0.000 0.186 0.000) 0.186 8.314 ( 0.000 -1.463 0.000) 1.463 8.750 ( 0.000 1.082 0.000) 1.082 8.790 ( 0.000 -0.059 0.000) 0.059 11.127 ( 0.000 0.651 0.000) 0.651 11.143 ( 0.000 0.333 0.000) 0.333 11.913 ( 0.000 -0.185 0.000) 0.185 11.915 ( 0.000 -0.369 0.000) 0.369 12.218 ( 0.000 0.198 0.000) 0.198 12.226 ( 0.000 0.065 0.000) 0.065 13.175 ( 0.000 0.337 0.000) 0.337 13.206 ( 0.000 -1.410 0.000) 1.410 17.808 ( 0.000 -0.126 0.000) 0.126 17.816 ( 0.000 -0.435 0.000) 0.435 18.950 ( 0.000 0.037 0.000) 0.037 18.951 ( 0.000 0.013 0.000) 0.013 21.478 ( 0.000 -0.099 0.000) 0.099 21.495 ( 0.000 -0.838 0.000) 0.838 23.468 ( 0.000 2.285 0.000) 2.285 24.039 ( 0.000 -25.728 0.000) 25.728 24.962 ( 0.000 -0.248 0.000) 0.248 24.967 ( 0.000 -0.789 0.000) 0.789 26.997 ( 0.000 8.126 0.000) 8.126 27.069 ( 0.000 5.445 0.000) 5.445 27.991 ( 0.000 20.397 0.000) 20.397 28.614 ( 0.000 -9.778 0.000) 9.778 ======================= Grid point 34 (20/90) ======================= q-point: ( 0.10 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.657 ( 4.539 6.850 0.000) 8.217 0.942 ( -2.186 -7.825 0.000) 8.125 1.031 ( -1.621 6.119 0.000) 6.330 1.098 ( -0.473 0.783 0.000) 0.915 1.166 ( 3.617 -3.871 0.000) 5.298 1.262 ( 6.692 -8.282 0.000) 10.648 1.285 ( -3.945 7.629 0.000) 8.588 1.466 ( -1.175 2.722 0.000) 2.964 1.647 ( 3.012 12.581 0.000) 12.936 1.912 ( 9.376 9.719 0.000) 13.504 1.937 ( 0.921 -0.446 0.000) 1.023 1.981 ( 5.597 4.232 0.000) 7.016 2.137 ( 0.127 9.574 0.000) 9.575 2.253 ( -5.561 3.678 0.000) 6.667 2.510 ( 0.509 0.629 0.000) 0.809 2.560 ( 1.249 -2.341 0.000) 2.654 2.846 ( 17.569 -4.582 0.000) 18.157 2.847 ( -2.084 4.287 0.000) 4.767 2.863 ( 18.008 -3.525 0.000) 18.350 2.892 ( -1.374 2.847 0.000) 3.162 3.265 ( 0.802 5.072 0.000) 5.135 3.323 ( -2.014 9.810 0.000) 10.014 3.359 ( 2.511 1.788 0.000) 3.083 3.716 ( -6.075 -4.598 0.000) 7.619 3.836 ( -4.020 -0.681 0.000) 4.077 3.992 ( -1.696 -7.593 0.000) 7.781 5.763 ( 7.917 1.013 0.000) 7.982 5.776 ( -1.695 0.782 0.000) 1.867 5.800 ( 1.255 -0.396 0.000) 1.316 5.841 ( 9.866 -2.505 0.000) 10.179 7.303 ( 0.078 1.402 0.000) 1.405 7.429 ( 2.938 -5.137 0.000) 5.918 7.676 ( -13.781 0.052 0.000) 13.781 7.687 ( -13.261 -0.484 0.000) 13.269 8.294 ( 1.908 0.141 0.000) 1.913 8.334 ( 2.244 -1.684 0.000) 2.805 8.942 ( 15.550 1.399 0.000) 15.612 8.975 ( 15.101 0.408 0.000) 15.107 11.091 ( -3.276 1.114 0.000) 3.461 11.114 ( -2.928 0.341 0.000) 2.948 11.802 ( -10.394 -0.118 0.000) 10.395 11.808 ( -10.112 -0.417 0.000) 10.121 11.987 ( -18.890 0.479 0.000) 18.896 12.036 ( -15.788 -2.055 0.000) 15.921 13.430 ( 22.264 1.070 0.000) 22.290 13.493 ( 23.098 -1.886 0.000) 23.175 17.673 ( -12.431 -0.001 0.000) 12.431 17.684 ( -12.219 -0.465 0.000) 12.228 19.159 ( 18.893 0.213 0.000) 18.894 19.243 ( 25.608 -5.057 0.000) 26.102 21.544 ( 5.603 0.041 0.000) 5.603 21.567 ( 6.081 -1.026 0.000) 6.167 23.519 ( 5.094 2.170 0.000) 5.537 24.045 ( 0.924 -23.641 0.000) 23.659 24.963 ( 0.159 -0.087 0.000) 0.181 24.980 ( 1.120 -1.212 0.000) 1.650 26.964 ( -3.021 7.368 0.000) 7.964 27.022 ( -4.293 5.363 0.000) 6.870 27.885 ( -9.732 18.469 0.000) 20.876 28.400 ( -18.995 -5.322 0.000) 19.726 ======================= Grid point 35 (21/90) ======================= q-point: ( 0.20 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.773 ( 5.858 3.061 0.000) 6.609 0.910 ( -0.279 -3.947 0.000) 3.957 0.959 ( -1.746 9.572 0.000) 9.730 1.174 ( 7.303 -2.400 0.000) 7.687 1.251 ( 3.966 0.694 0.000) 4.026 1.284 ( 2.864 1.588 0.000) 3.275 1.419 ( -2.327 -0.571 0.000) 2.396 1.425 ( 7.861 -7.600 0.000) 10.934 1.743 ( 6.107 8.887 0.000) 10.783 1.950 ( 0.137 0.762 0.000) 0.774 1.972 ( -7.469 5.779 0.000) 9.444 2.027 ( -5.017 5.938 0.000) 7.774 2.143 ( 2.710 0.849 0.000) 2.839 2.234 ( 7.533 3.175 0.000) 8.175 2.532 ( 1.685 0.590 0.000) 1.785 2.605 ( 3.116 -2.600 0.000) 4.058 2.796 ( -2.515 4.907 0.000) 5.514 2.861 ( -1.599 2.348 0.000) 2.840 3.193 ( 10.335 -3.832 0.000) 11.023 3.233 ( 4.271 0.218 0.000) 4.277 3.273 ( -0.343 6.700 0.000) 6.709 3.312 ( 8.041 2.105 0.000) 8.312 3.392 ( 0.029 2.312 0.000) 2.312 3.492 ( -11.581 -0.023 0.000) 11.581 3.966 ( 15.749 -0.915 0.000) 15.775 4.035 ( 11.559 -3.239 0.000) 12.004 5.722 ( -3.429 0.245 0.000) 3.438 5.824 ( 0.632 -4.643 0.000) 4.686 5.977 ( 11.938 3.650 0.000) 12.483 6.079 ( 12.048 -0.485 0.000) 12.058 7.348 ( 4.804 1.602 0.000) 5.064 7.364 ( -15.040 0.556 0.000) 15.051 7.383 ( -14.732 -0.293 0.000) 14.735 7.514 ( 5.521 -6.053 0.000) 8.192 8.352 ( 3.386 0.305 0.000) 3.399 8.404 ( 4.144 -2.091 0.000) 4.642 9.310 ( 18.757 1.839 0.000) 18.847 9.334 ( 18.351 1.114 0.000) 18.385 10.995 ( -6.009 1.617 0.000) 6.223 11.021 ( -5.971 0.676 0.000) 6.009 11.498 ( -18.212 0.022 0.000) 18.212 11.511 ( -17.756 -0.560 0.000) 17.765 11.548 ( -22.052 0.921 0.000) 22.071 11.637 ( -21.050 -3.085 0.000) 21.274 13.993 ( 29.935 -0.038 0.000) 29.935 14.048 ( 28.751 -1.978 0.000) 28.819 17.325 ( -20.150 0.172 0.000) 20.151 17.339 ( -20.081 -0.471 0.000) 20.086 19.665 ( 27.877 0.579 0.000) 27.883 19.873 ( 31.804 -11.371 0.000) 33.775 21.659 ( 4.082 0.120 0.000) 4.084 21.692 ( 4.574 -1.396 0.000) 4.782 23.691 ( 11.597 1.843 0.000) 11.742 24.100 ( 5.007 -18.211 0.000) 18.887 24.967 ( 0.127 0.155 0.000) 0.201 25.008 ( 1.311 -2.038 0.000) 2.423 26.883 ( -4.418 5.461 0.000) 7.024 26.909 ( -6.000 4.851 0.000) 7.716 27.617 ( -15.173 13.790 0.000) 20.503 27.919 ( -24.992 1.267 0.000) 25.024 ======================= Grid point 36 (22/90) ======================= q-point: ( 0.30 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.867 ( 3.135 0.863 0.000) 3.251 0.952 ( 4.135 -2.657 0.000) 4.915 1.006 ( 5.099 4.669 0.000) 6.914 1.318 ( 2.432 3.070 0.000) 3.916 1.321 ( 1.471 -5.688 0.000) 5.875 1.402 ( 8.042 -0.565 0.000) 8.062 1.451 ( 10.493 -2.724 0.000) 10.841 1.537 ( 1.850 -6.781 0.000) 7.029 1.727 ( -12.907 2.866 0.000) 13.221 1.863 ( -9.086 -0.454 0.000) 9.098 1.885 ( 6.714 5.006 0.000) 8.374 1.960 ( 1.909 2.234 0.000) 2.939 2.219 ( 2.370 3.233 0.000) 4.009 2.371 ( 4.488 -0.803 0.000) 4.559 2.563 ( 0.503 2.428 0.000) 2.479 2.689 ( 4.547 -3.564 0.000) 5.777 2.743 ( -3.316 4.756 0.000) 5.798 2.836 ( 0.352 0.088 0.000) 0.363 3.198 ( -2.544 5.283 0.000) 5.864 3.236 ( -3.627 0.935 0.000) 3.745 3.247 ( -1.943 7.182 0.000) 7.440 3.297 ( -6.549 2.900 0.000) 7.162 3.352 ( -3.636 3.095 0.000) 4.775 3.383 ( -2.970 -7.112 0.000) 7.708 4.421 ( 26.127 0.702 0.000) 26.136 4.524 ( 28.429 -4.254 0.000) 28.745 5.632 ( -5.285 -0.263 0.000) 5.291 5.805 ( -2.877 -8.224 0.000) 8.712 6.236 ( 12.559 5.659 0.000) 13.775 6.319 ( 10.792 2.690 0.000) 11.122 7.076 ( -12.317 1.800 0.000) 12.448 7.104 ( -11.775 0.615 0.000) 11.791 7.519 ( 11.784 0.710 0.000) 11.805 7.673 ( 10.096 -5.841 0.000) 11.664 8.415 ( 1.970 0.535 0.000) 2.042 8.484 ( 2.698 -2.566 0.000) 3.723 9.698 ( 18.189 2.179 0.000) 18.319 9.715 ( 18.012 1.652 0.000) 18.088 10.839 ( -9.044 1.917 0.000) 9.245 10.867 ( -8.861 1.059 0.000) 8.924 11.083 ( -20.445 0.197 0.000) 20.445 11.104 ( -19.936 1.191 0.000) 19.971 11.108 ( -19.659 -0.851 0.000) 19.677 11.207 ( -19.418 -3.033 0.000) 19.654 14.625 ( 30.142 -0.815 0.000) 30.153 14.655 ( 29.146 -1.655 0.000) 29.193 16.863 ( -23.716 0.153 0.000) 23.716 16.876 ( -23.907 -0.449 0.000) 23.911 20.253 ( 27.464 0.776 0.000) 27.475 20.487 ( 26.432 -11.738 0.000) 28.921 21.673 ( -3.204 0.053 0.000) 3.205 21.716 ( -2.704 -1.942 0.000) 3.329 23.993 ( 16.771 1.452 0.000) 16.834 24.267 ( 10.894 -11.863 0.000) 16.106 24.955 ( -1.809 0.398 0.000) 1.852 25.019 ( -0.732 -2.790 0.000) 2.884 26.795 ( -4.040 3.763 0.000) 5.522 26.800 ( -3.423 3.330 0.000) 4.776 27.291 ( -15.334 8.618 0.000) 17.590 27.428 ( -21.231 3.672 0.000) 21.546 ======================= Grid point 37 (23/90) ======================= q-point: ( 0.40 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( 4.522 0.105 0.000) 4.523 1.045 ( 4.328 -3.749 0.000) 5.725 1.100 ( 2.791 0.088 0.000) 2.793 1.274 ( -6.341 -6.884 0.000) 9.359 1.361 ( 2.062 1.612 0.000) 2.617 1.426 ( -6.349 3.818 0.000) 7.409 1.504 ( -3.761 -4.010 0.000) 5.498 1.586 ( -1.693 -2.132 0.000) 2.722 1.734 ( 5.391 -2.817 0.000) 6.083 1.819 ( 17.664 -5.319 0.000) 18.448 1.975 ( 1.949 3.140 0.000) 3.695 2.051 ( 5.192 0.611 0.000) 5.227 2.235 ( -0.388 4.674 0.000) 4.690 2.416 ( 0.446 -2.100 0.000) 2.147 2.524 ( -4.755 2.995 0.000) 5.620 2.581 ( -10.871 0.916 0.000) 10.909 2.814 ( 6.472 -0.508 0.000) 6.492 2.910 ( 6.105 -2.692 0.000) 6.673 3.113 ( -6.047 0.847 0.000) 6.106 3.159 ( -3.938 4.586 0.000) 6.045 3.203 ( -1.924 4.504 0.000) 4.897 3.211 ( -1.172 6.121 0.000) 6.232 3.268 ( -3.611 3.529 0.000) 5.049 3.289 ( -4.628 -4.805 0.000) 6.672 4.928 ( 21.071 0.284 0.000) 21.073 5.070 ( 22.746 -6.339 0.000) 23.613 5.496 ( -8.045 -0.434 0.000) 8.057 5.692 ( -8.216 -9.218 0.000) 12.348 6.480 ( 10.413 6.001 0.000) 12.018 6.530 ( 9.602 4.109 0.000) 10.445 6.852 ( -9.417 3.596 0.000) 10.081 6.894 ( -8.752 1.814 0.000) 8.938 7.829 ( 17.251 0.225 0.000) 17.253 7.940 ( 15.254 -4.517 0.000) 15.908 8.393 ( -5.070 0.618 0.000) 5.107 8.473 ( -4.850 -2.895 0.000) 5.648 10.055 ( 15.960 2.416 0.000) 16.142 10.074 ( 16.361 1.862 0.000) 16.466 10.617 ( -12.008 1.988 0.000) 12.171 10.653 ( -11.583 1.015 0.000) 11.627 10.713 ( -13.309 0.494 0.000) 13.318 10.751 ( -13.237 1.624 0.000) 13.336 10.762 ( -11.743 -1.454 0.000) 11.833 10.860 ( -13.391 -2.590 0.000) 13.639 15.235 ( 28.450 -0.819 0.000) 28.461 15.249 ( 27.890 -1.200 0.000) 27.916 16.351 ( -25.352 -0.108 0.000) 25.352 16.359 ( -25.620 -0.516 0.000) 25.625 20.782 ( 23.200 0.711 0.000) 23.210 20.968 ( 19.969 -8.624 0.000) 21.752 21.520 ( -11.365 0.080 0.000) 11.366 21.584 ( -9.639 -2.935 0.000) 10.076 24.354 ( 17.019 1.169 0.000) 17.059 24.529 ( 13.413 -7.158 0.000) 15.203 24.871 ( -6.637 0.673 0.000) 6.671 24.959 ( -5.409 -3.469 0.000) 6.426 26.750 ( 0.251 2.838 0.000) 2.849 26.769 ( 0.714 1.886 0.000) 2.016 27.005 ( -11.733 4.738 0.000) 12.654 27.058 ( -14.066 3.029 0.000) 14.388 ======================= Grid point 38 (24/90) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( -7.517 -1.819 0.000) 7.734 1.071 ( 7.517 -1.819 0.000) 7.734 1.122 ( -3.286 -3.816 0.000) 5.036 1.122 ( 3.286 -3.816 0.000) 5.036 1.393 ( -0.435 0.512 0.000) 0.672 1.393 ( 0.435 0.512 0.000) 0.672 1.470 ( -3.473 -2.838 0.000) 4.485 1.470 ( 3.473 -2.838 0.000) 4.485 1.935 ( -7.062 1.103 0.000) 7.148 1.935 ( 7.062 1.103 0.000) 7.148 2.106 ( -3.178 -3.971 0.000) 5.086 2.106 ( 3.178 -3.971 0.000) 5.086 2.293 ( -11.405 4.147 0.000) 12.135 2.293 ( 11.405 4.147 0.000) 12.135 2.440 ( -3.175 -1.072 0.000) 3.351 2.440 ( 3.175 -1.072 0.000) 3.351 2.965 ( -7.658 0.335 0.000) 7.665 2.965 ( 7.658 0.335 0.000) 7.665 3.050 ( -6.513 -1.487 0.000) 6.681 3.050 ( 6.513 -1.487 0.000) 6.681 3.196 ( -0.488 5.273 0.000) 5.295 3.196 ( 0.488 5.273 0.000) 5.295 3.231 ( -0.547 1.808 0.000) 1.889 3.231 ( 0.547 1.808 0.000) 1.889 5.281 ( -13.156 -0.226 0.000) 13.158 5.281 ( 13.156 -0.226 0.000) 13.158 5.457 ( -14.617 -8.158 0.000) 16.740 5.457 ( 14.617 -8.158 0.000) 16.740 6.671 ( -8.443 5.221 0.000) 9.927 6.671 ( 8.443 5.221 0.000) 9.927 6.719 ( -8.524 3.144 0.000) 9.085 6.719 ( 8.524 3.144 0.000) 9.085 8.181 ( -14.920 0.406 0.000) 14.925 8.181 ( 14.920 0.406 0.000) 14.925 8.265 ( -14.343 -3.291 0.000) 14.716 8.265 ( 14.343 -3.291 0.000) 14.716 10.357 ( -13.117 2.352 0.000) 13.326 10.357 ( 13.117 2.352 0.000) 13.326 10.390 ( -13.861 1.544 0.000) 13.946 10.390 ( 13.861 1.544 0.000) 13.946 10.586 ( -1.500 1.105 0.000) 1.863 10.586 ( 1.500 1.105 0.000) 1.863 10.674 ( -3.379 -2.182 0.000) 4.022 10.674 ( 3.379 -2.182 0.000) 4.022 15.809 ( -26.798 -0.494 0.000) 26.802 15.809 ( 26.798 -0.494 0.000) 26.802 15.815 ( -26.584 -0.777 0.000) 26.595 15.815 ( 26.584 -0.777 0.000) 26.595 21.212 ( -17.956 0.421 0.000) 17.961 21.212 ( 17.956 0.421 0.000) 17.961 21.328 ( -14.819 -5.214 0.000) 15.709 21.328 ( 14.819 -5.214 0.000) 15.709 24.669 ( -12.733 0.945 0.000) 12.768 24.669 ( 12.733 0.945 0.000) 12.768 24.789 ( -10.773 -4.632 0.000) 11.727 24.789 ( 10.773 -4.632 0.000) 11.727 26.816 ( -6.183 2.899 0.000) 6.829 26.816 ( 6.183 2.899 0.000) 6.829 26.843 ( -6.718 1.900 0.000) 6.981 26.843 ( 6.718 1.900 0.000) 6.981 ======================= Grid point 44 (25/90) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( 0.000 -8.514 0.000) 8.514 0.781 ( 0.000 8.514 0.000) 8.514 1.072 ( 0.000 -1.573 0.000) 1.573 1.072 ( 0.000 1.573 0.000) 1.573 1.082 ( 0.000 -1.736 0.000) 1.736 1.082 ( 0.000 1.736 0.000) 1.736 1.519 ( 0.000 -1.442 0.000) 1.442 1.519 ( 0.000 1.442 0.000) 1.442 1.840 ( 0.000 -7.398 0.000) 7.398 1.840 ( 0.000 7.398 0.000) 7.398 1.940 ( 0.000 -2.113 0.000) 2.113 1.940 ( 0.000 2.113 0.000) 2.113 2.281 ( 0.000 -4.547 0.000) 4.547 2.281 ( 0.000 4.547 0.000) 4.547 2.518 ( 0.000 -0.683 0.000) 0.683 2.518 ( 0.000 0.683 0.000) 0.683 2.635 ( 0.000 -1.963 0.000) 1.963 2.635 ( 0.000 1.963 0.000) 1.963 2.927 ( 0.000 -1.059 0.000) 1.059 2.927 ( 0.000 1.059 0.000) 1.059 3.322 ( 0.000 -2.041 0.000) 2.041 3.322 ( 0.000 2.041 0.000) 2.041 3.590 ( 0.000 -12.454 0.000) 12.454 3.590 ( 0.000 12.454 0.000) 12.454 3.894 ( 0.000 -2.866 0.000) 2.866 3.894 ( 0.000 2.866 0.000) 2.866 5.685 ( 0.000 -1.222 0.000) 1.222 5.685 ( 0.000 1.222 0.000) 1.222 5.803 ( 0.000 -0.253 0.000) 0.253 5.803 ( 0.000 0.253 0.000) 0.253 7.333 ( 0.000 -1.765 0.000) 1.765 7.333 ( 0.000 1.765 0.000) 1.765 7.846 ( 0.000 -0.083 0.000) 0.083 7.846 ( 0.000 0.083 0.000) 0.083 8.288 ( 0.000 -0.960 0.000) 0.960 8.288 ( 0.000 0.960 0.000) 0.960 8.775 ( 0.000 -1.135 0.000) 1.135 8.775 ( 0.000 1.135 0.000) 1.135 11.140 ( 0.000 -0.512 0.000) 0.512 11.140 ( 0.000 0.512 0.000) 0.512 11.911 ( 0.000 -0.021 0.000) 0.021 11.911 ( 0.000 0.021 0.000) 0.021 12.224 ( 0.000 -0.250 0.000) 0.250 12.224 ( 0.000 0.250 0.000) 0.250 13.185 ( 0.000 -0.706 0.000) 0.706 13.185 ( 0.000 0.706 0.000) 0.706 17.809 ( 0.000 -0.212 0.000) 0.212 17.809 ( 0.000 0.212 0.000) 0.212 18.951 ( 0.000 -0.013 0.000) 0.013 18.951 ( 0.000 0.013 0.000) 0.013 21.481 ( 0.000 -0.411 0.000) 0.411 21.481 ( 0.000 0.411 0.000) 0.411 23.627 ( 0.000 -13.533 0.000) 13.533 23.627 ( 0.000 13.533 0.000) 13.533 24.959 ( 0.000 -0.044 0.000) 0.044 24.959 ( 0.000 0.044 0.000) 0.044 27.106 ( 0.000 -1.938 0.000) 1.938 27.106 ( 0.000 1.938 0.000) 1.938 28.359 ( 0.000 -14.881 0.000) 14.881 28.359 ( 0.000 14.881 0.000) 14.881 ======================= Grid point 46 (26/90) ======================= q-point: ( 0.10 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( 1.400 -6.591 0.000) 6.738 0.796 ( 1.400 6.591 0.000) 6.738 1.090 ( 0.604 -1.235 0.000) 1.375 1.090 ( 0.604 1.235 0.000) 1.375 1.144 ( 6.335 -2.395 0.000) 6.773 1.144 ( 6.335 2.395 0.000) 6.773 1.444 ( -5.554 -5.132 0.000) 7.562 1.444 ( -5.554 5.132 0.000) 7.562 1.857 ( 1.495 -7.122 0.000) 7.277 1.857 ( 1.495 7.122 0.000) 7.277 2.022 ( 6.764 -1.258 0.000) 6.880 2.022 ( 6.764 1.258 0.000) 6.880 2.268 ( -4.020 -2.277 0.000) 4.620 2.268 ( -4.020 2.277 0.000) 4.620 2.526 ( 0.840 -1.053 0.000) 1.347 2.526 ( 0.840 1.053 0.000) 1.347 2.805 ( 16.729 -1.106 0.000) 16.766 2.805 ( 16.729 1.106 0.000) 16.766 2.909 ( -1.577 -1.238 0.000) 2.005 2.909 ( -1.577 1.238 0.000) 2.005 3.349 ( 2.105 -2.581 0.000) 3.330 3.349 ( 2.105 2.581 0.000) 3.330 3.544 ( -4.132 -10.586 0.000) 11.364 3.544 ( -4.132 10.586 0.000) 11.364 3.873 ( -0.720 -3.931 0.000) 3.997 3.873 ( -0.720 3.931 0.000) 3.997 5.790 ( -1.255 -0.568 0.000) 1.378 5.790 ( -1.255 0.568 0.000) 1.378 5.794 ( 9.640 -1.938 0.000) 9.833 5.794 ( 9.640 1.938 0.000) 9.833 7.347 ( 1.457 -2.905 0.000) 3.250 7.347 ( 1.457 2.905 0.000) 3.250 7.679 ( -13.489 -0.280 0.000) 13.492 7.679 ( -13.489 0.280 0.000) 13.492 8.305 ( 2.000 -1.010 0.000) 2.241 8.305 ( 2.000 1.010 0.000) 2.241 8.968 ( 15.634 -0.950 0.000) 15.663 8.968 ( 15.634 0.950 0.000) 15.663 11.110 ( -2.890 -0.630 0.000) 2.958 11.110 ( -2.890 0.630 0.000) 2.958 11.802 ( -10.246 -0.108 0.000) 10.247 11.802 ( -10.246 0.108 0.000) 10.247 12.003 ( -17.801 -1.120 0.000) 17.836 12.003 ( -17.801 1.120 0.000) 17.836 13.458 ( 22.557 -1.551 0.000) 22.610 13.458 ( 22.557 1.551 0.000) 22.610 17.676 ( -12.282 -0.273 0.000) 12.285 17.676 ( -12.282 0.273 0.000) 12.285 19.178 ( 20.425 -1.754 0.000) 20.500 19.178 ( 20.425 1.754 0.000) 20.500 21.550 ( 5.809 -0.574 0.000) 5.837 21.550 ( 5.809 0.574 0.000) 5.837 23.666 ( 3.994 -12.472 0.000) 13.096 23.666 ( 3.994 12.472 0.000) 13.096 24.965 ( 0.519 -0.341 0.000) 0.621 24.965 ( 0.519 0.341 0.000) 0.621 27.062 ( -4.094 -1.592 0.000) 4.392 27.062 ( -4.094 1.592 0.000) 4.392 28.211 ( -13.548 -12.547 0.000) 18.465 28.211 ( -13.548 12.547 0.000) 18.465 ======================= Grid point 48 (27/90) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( 2.677 -3.170 0.000) 4.149 0.839 ( 2.677 3.170 0.000) 4.149 1.109 ( 1.649 -4.510 0.000) 4.802 1.109 ( 1.649 4.510 0.000) 4.802 1.296 ( 7.221 -4.249 0.000) 8.379 1.296 ( 7.221 4.249 0.000) 8.379 1.356 ( -1.744 -4.633 0.000) 4.951 1.356 ( -1.744 4.633 0.000) 4.951 1.899 ( 2.542 -5.388 0.000) 5.957 1.899 ( 2.542 5.388 0.000) 5.957 2.068 ( -9.510 -2.820 0.000) 9.919 2.068 ( -9.510 2.820 0.000) 9.919 2.203 ( 4.957 -5.113 0.000) 7.122 2.203 ( 4.957 5.113 0.000) 7.122 2.558 ( 2.329 -1.802 0.000) 2.945 2.558 ( 2.329 1.802 0.000) 2.945 2.868 ( -2.260 -1.722 0.000) 2.842 2.868 ( -2.260 1.722 0.000) 2.842 3.165 ( 11.744 -1.798 0.000) 11.880 3.165 ( 11.744 1.798 0.000) 11.880 3.382 ( 0.430 -3.202 0.000) 3.230 3.382 ( 0.430 3.202 0.000) 3.230 3.440 ( -5.362 -5.124 0.000) 7.416 3.440 ( -5.362 5.124 0.000) 7.416 3.979 ( 14.492 -1.915 0.000) 14.618 3.979 ( 14.492 1.915 0.000) 14.618 5.749 ( -2.734 -2.446 0.000) 3.669 5.749 ( -2.734 2.446 0.000) 3.669 6.044 ( 13.461 -2.661 0.000) 13.722 6.044 ( 13.461 2.661 0.000) 13.722 7.375 ( -14.507 -0.492 0.000) 14.516 7.375 ( -14.507 0.492 0.000) 14.516 7.408 ( 4.912 -4.082 0.000) 6.387 7.408 ( 4.912 4.082 0.000) 6.387 8.368 ( 3.704 -1.297 0.000) 3.925 8.368 ( 3.704 1.297 0.000) 3.925 9.338 ( 18.829 -0.683 0.000) 18.842 9.338 ( 18.829 0.683 0.000) 18.842 11.020 ( -5.761 -0.719 0.000) 5.806 11.020 ( -5.761 0.719 0.000) 5.806 11.502 ( -17.996 -0.315 0.000) 17.998 11.502 ( -17.996 0.315 0.000) 17.998 11.581 ( -21.544 -2.206 0.000) 21.657 11.581 ( -21.544 2.206 0.000) 21.657 14.011 ( 29.051 -1.475 0.000) 29.089 14.011 ( 29.051 1.475 0.000) 29.089 17.330 ( -20.085 -0.351 0.000) 20.088 17.330 ( -20.085 0.351 0.000) 20.088 19.715 ( 28.994 -4.507 0.000) 29.342 19.715 ( 28.994 4.507 0.000) 29.342 21.669 ( 4.203 -0.824 0.000) 4.284 21.669 ( 4.203 0.824 0.000) 4.284 23.807 ( 9.853 -9.708 0.000) 13.832 23.807 ( 9.853 9.708 0.000) 13.832 24.978 ( 0.567 -0.913 0.000) 1.075 24.978 ( 0.567 0.913 0.000) 1.075 26.951 ( -5.991 -0.804 0.000) 6.045 26.951 ( -5.991 0.804 0.000) 6.045 27.845 ( -20.195 -7.722 0.000) 21.621 27.845 ( -20.195 7.722 0.000) 21.621 ======================= Grid point 50 (28/90) ======================= q-point: ( 0.30 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( 3.263 -2.185 0.000) 3.928 0.902 ( 3.263 2.185 0.000) 3.928 1.153 ( 1.526 -8.714 0.000) 8.847 1.153 ( 1.526 8.714 0.000) 8.847 1.405 ( 2.660 -5.472 0.000) 6.084 1.405 ( 2.660 5.472 0.000) 6.084 1.413 ( 7.973 -1.417 0.000) 8.098 1.413 ( 7.973 1.417 0.000) 8.098 1.811 ( -12.950 -4.162 0.000) 13.603 1.811 ( -12.950 4.162 0.000) 13.603 1.964 ( 3.679 -2.033 0.000) 4.203 1.964 ( 3.679 2.033 0.000) 4.203 2.304 ( 3.322 -4.529 0.000) 5.617 2.304 ( 3.322 4.529 0.000) 5.617 2.617 ( 2.505 -3.035 0.000) 3.935 2.617 ( 2.505 3.035 0.000) 3.935 2.818 ( -2.108 -2.170 0.000) 3.025 2.818 ( -2.108 2.170 0.000) 3.025 3.241 ( -1.537 -2.681 0.000) 3.090 3.241 ( -1.537 2.681 0.000) 3.090 3.330 ( -5.093 -2.203 0.000) 5.550 3.330 ( -5.093 2.203 0.000) 5.550 3.356 ( -2.752 -2.767 0.000) 3.903 3.356 ( -2.752 2.767 0.000) 3.903 4.453 ( 26.750 -2.498 0.000) 26.867 4.453 ( 26.750 2.498 0.000) 26.867 5.672 ( -4.802 -4.251 0.000) 6.413 5.672 ( -4.802 4.251 0.000) 6.413 6.322 ( 12.718 -2.258 0.000) 12.917 6.322 ( 12.718 2.258 0.000) 12.917 7.103 ( -11.336 -0.701 0.000) 11.358 7.103 ( -11.336 0.701 0.000) 11.358 7.569 ( 10.894 -3.943 0.000) 11.585 7.569 ( 10.894 3.943 0.000) 11.585 8.438 ( 2.271 -1.714 0.000) 2.846 8.438 ( 2.271 1.714 0.000) 2.846 9.727 ( 18.285 -0.495 0.000) 18.291 9.727 ( 18.285 0.495 0.000) 18.291 10.869 ( -8.855 -0.793 0.000) 8.891 10.869 ( -8.855 0.793 0.000) 8.891 11.092 ( -20.106 -0.646 0.000) 20.116 11.092 ( -20.106 0.646 0.000) 20.116 11.145 ( -19.512 -2.665 0.000) 19.693 11.145 ( -19.512 2.665 0.000) 19.693 14.627 ( 29.641 -0.885 0.000) 29.654 14.627 ( 29.641 0.885 0.000) 29.654 16.868 ( -23.850 -0.312 0.000) 23.852 16.868 ( -23.850 0.312 0.000) 23.852 20.313 ( 27.401 -5.317 0.000) 27.912 20.313 ( 27.401 5.317 0.000) 27.912 21.685 ( -3.144 -1.060 0.000) 3.318 21.685 ( -3.144 1.060 0.000) 3.318 24.074 ( 15.242 -6.540 0.000) 16.586 24.074 ( 15.242 6.540 0.000) 16.586 24.974 ( -1.384 -1.512 0.000) 2.049 24.974 ( -1.384 1.512 0.000) 2.049 26.836 ( -4.530 -0.094 0.000) 4.531 26.836 ( -4.530 0.094 0.000) 4.531 27.423 ( -19.316 -3.672 0.000) 19.662 27.423 ( -19.316 3.672 0.000) 19.662 ======================= Grid point 52 (29/90) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( 3.808 -2.861 0.000) 4.763 0.974 ( 3.808 2.861 0.000) 4.763 1.147 ( -2.248 -4.558 0.000) 5.083 1.147 ( -2.248 4.558 0.000) 5.083 1.416 ( -0.759 -3.730 0.000) 3.807 1.416 ( -0.759 3.730 0.000) 3.807 1.517 ( -6.650 -4.476 0.000) 8.016 1.517 ( -6.650 4.476 0.000) 8.016 1.731 ( 13.179 -2.569 0.000) 13.427 1.731 ( 13.179 2.569 0.000) 13.427 2.038 ( 2.646 -2.123 0.000) 3.393 2.038 ( 2.646 2.123 0.000) 3.393 2.339 ( 0.628 -4.827 0.000) 4.868 2.339 ( 0.628 4.827 0.000) 4.868 2.568 ( -8.046 -1.576 0.000) 8.199 2.568 ( -8.046 1.576 0.000) 8.199 2.849 ( 5.600 -2.948 0.000) 6.328 2.849 ( 5.600 2.948 0.000) 6.328 3.151 ( -6.633 -2.664 0.000) 7.148 3.151 ( -6.633 2.664 0.000) 7.148 3.261 ( -1.274 -0.981 0.000) 1.608 3.261 ( -1.274 0.981 0.000) 1.608 3.292 ( -2.700 -1.414 0.000) 3.048 3.292 ( -2.700 1.414 0.000) 3.048 4.966 ( 21.244 -3.478 0.000) 21.527 4.966 ( 21.244 3.478 0.000) 21.527 5.541 ( -8.022 -4.857 0.000) 9.378 5.541 ( -8.022 4.857 0.000) 9.378 6.559 ( 9.922 -1.326 0.000) 10.010 6.559 ( 9.922 1.326 0.000) 10.010 6.902 ( -8.295 -1.052 0.000) 8.362 6.902 ( -8.295 1.052 0.000) 8.362 7.861 ( 16.617 -2.846 0.000) 16.859 7.861 ( 16.617 2.846 0.000) 16.859 8.421 ( -5.036 -1.978 0.000) 5.410 8.421 ( -5.036 1.978 0.000) 5.410 10.088 ( 16.208 -0.555 0.000) 16.217 10.088 ( 16.208 0.555 0.000) 16.217 10.650 ( -11.859 -1.031 0.000) 11.903 10.650 ( -11.859 1.031 0.000) 11.903 10.732 ( -12.629 -1.279 0.000) 12.693 10.732 ( -12.629 1.279 0.000) 12.693 10.802 ( -13.021 -2.880 0.000) 13.336 10.802 ( -13.021 2.880 0.000) 13.336 15.231 ( 28.334 -0.428 0.000) 28.338 15.231 ( 28.334 0.428 0.000) 28.338 16.352 ( -25.619 -0.167 0.000) 25.619 16.352 ( -25.619 0.167 0.000) 25.619 20.833 ( 22.434 -4.326 0.000) 22.847 20.833 ( 22.434 4.326 0.000) 22.847 21.537 ( -10.846 -1.538 0.000) 10.955 21.537 ( -10.846 1.538 0.000) 10.955 24.409 ( 16.074 -4.229 0.000) 16.621 24.409 ( 16.074 4.229 0.000) 16.621 24.900 ( -6.175 -2.107 0.000) 6.524 24.900 ( -6.175 2.107 0.000) 6.524 26.785 ( 0.130 -0.429 0.000) 0.449 26.785 ( 0.130 0.429 0.000) 0.449 27.072 ( -13.915 -1.494 0.000) 13.995 27.072 ( -13.915 1.494 0.000) 13.995 ======================= Grid point 54 (30/90) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( -4.833 -1.402 0.000) 5.032 1.066 ( -4.833 1.402 0.000) 5.032 1.066 ( 4.833 -1.402 0.000) 5.032 1.066 ( 4.833 1.402 0.000) 5.032 1.415 ( -1.752 -1.922 0.000) 2.601 1.415 ( 1.752 -1.922 0.000) 2.601 1.415 ( -1.752 1.922 0.000) 2.601 1.415 ( 1.752 1.922 0.000) 2.601 2.005 ( -8.245 -4.864 0.000) 9.573 2.005 ( 8.245 -4.864 0.000) 9.573 2.005 ( -8.245 4.864 0.000) 9.573 2.005 ( 8.245 4.864 0.000) 9.573 2.385 ( -5.968 -3.972 0.000) 7.169 2.385 ( 5.968 -3.972 0.000) 7.169 2.385 ( -5.968 3.972 0.000) 7.169 2.385 ( 5.968 3.972 0.000) 7.169 2.997 ( -7.748 -2.537 0.000) 8.153 2.997 ( -7.748 2.537 0.000) 8.153 2.997 ( 7.748 -2.537 0.000) 8.153 2.997 ( 7.748 2.537 0.000) 8.153 3.257 ( -0.726 -0.480 0.000) 0.870 3.257 ( 0.726 -0.480 0.000) 0.870 3.257 ( -0.726 0.480 0.000) 0.870 3.257 ( 0.726 0.480 0.000) 0.870 5.323 ( -13.370 -4.358 0.000) 14.062 5.323 ( -13.370 4.358 0.000) 14.062 5.323 ( 13.370 -4.358 0.000) 14.062 5.323 ( 13.370 4.358 0.000) 14.062 6.740 ( -7.799 -1.226 0.000) 7.895 6.740 ( -7.799 1.226 0.000) 7.895 6.740 ( 7.799 -1.226 0.000) 7.895 6.740 ( 7.799 1.226 0.000) 7.895 8.208 ( -14.896 -2.120 0.000) 15.046 8.208 ( -14.896 2.120 0.000) 15.046 8.208 ( 14.896 -2.120 0.000) 15.046 8.208 ( 14.896 2.120 0.000) 15.046 10.394 ( -13.114 -1.017 0.000) 13.153 10.394 ( -13.114 1.017 0.000) 13.153 10.394 ( 13.114 -1.017 0.000) 13.153 10.394 ( 13.114 1.017 0.000) 13.153 10.624 ( -2.628 -2.376 0.000) 3.543 10.624 ( 2.628 -2.376 0.000) 3.543 10.624 ( -2.628 2.376 0.000) 3.543 10.624 ( 2.628 2.376 0.000) 3.543 15.805 ( -26.884 -0.153 0.000) 26.884 15.805 ( -26.884 0.153 0.000) 26.884 15.805 ( 26.884 -0.153 0.000) 26.884 15.805 ( 26.884 0.153 0.000) 26.884 21.244 ( -17.050 -2.765 0.000) 17.273 21.244 ( -17.050 2.765 0.000) 17.273 21.244 ( 17.050 -2.765 0.000) 17.273 21.244 ( 17.050 2.765 0.000) 17.273 24.709 ( -12.142 -2.898 0.000) 12.483 24.709 ( -12.142 2.898 0.000) 12.483 24.709 ( 12.142 -2.898 0.000) 12.483 24.709 ( 12.142 2.898 0.000) 12.483 26.856 ( -6.836 -0.724 0.000) 6.874 26.856 ( -6.836 0.724 0.000) 6.874 26.856 ( 6.836 -0.724 0.000) 6.874 26.856 ( 6.836 0.724 0.000) 6.874 ======================= Grid point 99 (31/90) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.163 ( 0.000 0.000 8.021) 8.021 0.277 ( 0.000 0.000 13.497) 13.497 0.432 ( 0.000 0.000 -4.646) 4.646 0.513 ( 0.000 0.000 24.339) 24.339 0.725 ( 0.000 0.000 -6.106) 6.106 0.964 ( 0.000 0.000 5.218) 5.218 1.254 ( 0.000 0.000 -7.703) 7.703 1.374 ( 0.000 0.000 -14.696) 14.696 1.562 ( 0.000 0.000 3.282) 3.282 1.604 ( 0.000 0.000 1.992) 1.992 1.682 ( 0.000 0.000 6.504) 6.504 1.723 ( 0.000 0.000 -1.579) 1.579 1.753 ( 0.000 0.000 -2.265) 2.265 1.894 ( 0.000 0.000 -3.094) 3.094 2.645 ( 0.000 0.000 1.148) 1.148 2.686 ( 0.000 0.000 -0.481) 0.481 2.742 ( 0.000 0.000 0.583) 0.583 2.792 ( 0.000 0.000 -1.084) 1.084 2.951 ( 0.000 0.000 0.625) 0.625 3.008 ( 0.000 0.000 -1.844) 1.844 3.012 ( 0.000 0.000 10.074) 10.074 3.065 ( 0.000 0.000 0.336) 0.336 3.073 ( 0.000 0.000 0.239) 0.239 3.491 ( 0.000 0.000 -11.763) 11.763 3.918 ( 0.000 0.000 7.720) 7.720 4.131 ( 0.000 0.000 -2.744) 2.744 5.699 ( 0.000 0.000 0.495) 0.495 5.723 ( 0.000 0.000 -0.461) 0.461 5.744 ( 0.000 0.000 1.802) 1.802 5.834 ( 0.000 0.000 -1.751) 1.751 7.352 ( 0.000 0.000 4.500) 4.500 7.626 ( 0.000 0.000 -6.962) 6.962 7.842 ( 0.000 0.000 0.495) 0.495 7.866 ( 0.000 0.000 -0.457) 0.457 8.356 ( 0.000 0.000 5.373) 5.373 8.550 ( 0.000 0.000 -2.914) 2.914 8.724 ( 0.000 0.000 0.182) 0.182 8.733 ( 0.000 0.000 -0.167) 0.167 11.047 ( 0.000 0.000 0.263) 0.263 11.061 ( 0.000 0.000 -0.269) 0.269 11.939 ( 0.000 0.000 1.318) 1.318 12.017 ( 0.000 0.000 -1.845) 1.845 12.217 ( 0.000 0.000 0.549) 0.549 12.232 ( 0.000 0.000 -0.113) 0.113 13.187 ( 0.000 0.000 2.099) 2.099 13.292 ( 0.000 0.000 -2.045) 2.045 17.831 ( 0.000 0.000 0.214) 0.214 17.841 ( 0.000 0.000 -0.196) 0.196 18.949 ( 0.000 0.000 0.015) 0.015 18.950 ( 0.000 0.000 -0.016) 0.016 21.504 ( 0.000 0.000 0.686) 0.686 21.539 ( 0.000 0.000 -0.694) 0.694 24.988 ( 0.000 0.000 1.320) 1.320 25.064 ( 0.000 0.000 -1.700) 1.700 25.782 ( 0.000 0.000 2.686) 2.686 25.906 ( 0.000 0.000 -2.281) 2.281 26.377 ( 0.000 0.000 1.768) 1.768 26.488 ( 0.000 0.000 -2.964) 2.964 26.748 ( 0.000 0.000 2.687) 2.687 26.845 ( 0.000 0.000 -1.498) 1.498 ======================= Grid point 100 (32/90) ======================= q-point: ( 0.10 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.497 ( 10.263 0.000 11.503) 15.415 0.499 ( 19.613 0.000 0.870) 19.633 0.557 ( 9.986 0.000 -1.324) 10.073 0.822 ( 25.601 0.000 12.422) 28.456 0.953 ( 15.349 0.000 -8.595) 17.591 1.087 ( 11.173 0.000 3.616) 11.743 1.314 ( 5.792 0.000 -6.541) 8.737 1.390 ( 1.660 0.000 -8.482) 8.643 1.533 ( 0.343 0.000 0.090) 0.355 1.654 ( 3.604 0.000 1.666) 3.970 1.672 ( -0.957 0.000 6.148) 6.222 1.683 ( -3.429 0.000 -3.575) 4.954 1.773 ( 3.471 0.000 -0.768) 3.555 1.875 ( -1.693 0.000 -3.065) 3.501 2.599 ( -4.181 0.000 0.938) 4.285 2.634 ( -4.792 0.000 -0.458) 4.814 2.718 ( -3.633 0.000 7.874) 8.672 2.761 ( -2.284 0.000 3.473) 4.156 2.923 ( -2.695 0.000 0.805) 2.813 2.982 ( -2.482 0.000 -1.733) 3.027 3.046 ( -1.391 0.000 1.076) 1.758 3.075 ( 18.194 0.000 7.034) 19.506 3.080 ( 0.042 0.000 -0.501) 0.503 3.504 ( 9.085 0.000 -4.552) 10.162 3.829 ( -1.006 0.000 6.716) 6.791 4.327 ( 1.498 0.000 -16.453) 16.521 5.759 ( 1.509 0.000 1.633) 2.224 5.806 ( 4.164 0.000 3.054) 5.164 5.830 ( 10.798 0.000 0.380) 10.805 5.841 ( 0.815 0.000 -1.619) 1.813 7.391 ( 3.849 0.000 4.636) 6.025 7.678 ( -13.569 0.000 0.523) 13.579 7.693 ( 4.140 0.000 -8.452) 9.412 7.703 ( -13.367 0.000 -0.479) 13.375 8.366 ( 1.091 0.000 4.544) 4.673 8.469 ( -1.791 0.000 1.975) 2.666 8.888 ( 13.535 0.000 0.129) 13.536 8.894 ( 13.409 0.000 -0.115) 13.410 11.013 ( -3.295 0.000 0.257) 3.305 11.026 ( -3.326 0.000 -0.262) 3.337 11.825 ( -10.748 0.000 0.929) 10.789 11.843 ( -11.732 0.000 0.461) 11.741 11.984 ( -17.635 0.000 0.381) 17.639 12.156 ( -16.936 0.000 -9.549) 19.442 13.557 ( 28.573 0.000 -1.802) 28.630 13.592 ( 23.396 0.000 -1.782) 23.463 17.689 ( -12.974 0.000 0.381) 12.980 17.705 ( -12.379 0.000 -0.289) 12.382 19.224 ( 24.089 0.000 4.198) 24.452 19.980 ( 56.417 0.000 -54.119) 78.178 21.568 ( 5.642 0.000 1.065) 5.742 21.621 ( 6.858 0.000 -0.968) 6.926 24.791 ( -29.822 0.000 31.008) 43.022 24.999 ( 0.183 0.000 0.838) 0.858 25.346 ( -14.453 0.000 12.200) 18.914 25.592 ( -16.169 0.000 0.206) 16.170 26.392 ( 1.353 0.000 1.703) 2.175 26.499 ( 0.956 0.000 -2.855) 3.011 26.745 ( -0.291 0.000 2.561) 2.577 26.837 ( -0.772 0.000 -1.414) 1.611 ======================= Grid point 101 (33/90) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.747 ( 13.715 0.000 3.651) 14.193 0.783 ( 11.277 0.000 1.034) 11.324 0.848 ( 13.129 0.000 -1.581) 13.224 1.074 ( 2.910 0.000 -9.856) 10.276 1.321 ( -1.377 0.000 5.063) 5.247 1.387 ( 16.316 0.000 1.359) 16.372 1.437 ( 22.385 0.000 5.345) 23.014 1.483 ( 9.057 0.000 -3.270) 9.630 1.626 ( -1.825 0.000 -7.507) 7.726 1.647 ( -0.764 0.000 4.987) 5.045 1.703 ( 6.864 0.000 5.123) 8.565 1.809 ( 14.542 0.000 -5.647) 15.600 1.831 ( -2.149 0.000 -3.121) 3.789 1.871 ( 7.330 0.000 -1.461) 7.474 2.480 ( -7.321 0.000 0.818) 7.366 2.509 ( -6.277 0.000 -0.371) 6.288 2.714 ( 3.629 0.000 4.109) 5.482 2.781 ( 3.440 0.000 0.917) 3.560 2.844 ( -4.524 0.000 0.948) 4.622 2.908 ( -4.505 0.000 -1.814) 4.856 3.009 ( -2.281 0.000 1.711) 2.852 3.067 ( -1.436 0.000 -0.877) 1.683 3.536 ( 9.961 0.000 7.513) 12.476 3.693 ( 16.072 0.000 6.102) 17.191 4.051 ( 25.165 0.000 -5.778) 25.820 4.253 ( -5.311 0.000 -13.854) 14.837 5.811 ( 3.622 0.000 1.234) 3.827 5.864 ( 1.591 0.000 7.845) 8.005 5.875 ( 2.649 0.000 -1.290) 2.946 6.059 ( 9.559 0.000 -1.725) 9.713 7.349 ( -17.153 0.000 0.665) 17.166 7.381 ( -16.746 0.000 -0.609) 16.757 7.506 ( 7.103 0.000 4.601) 8.463 7.782 ( 4.832 0.000 -6.529) 8.123 8.406 ( 2.812 0.000 3.524) 4.508 8.503 ( 3.846 0.000 -0.376) 3.864 9.214 ( 16.921 0.000 0.102) 16.921 9.219 ( 16.881 0.000 -0.089) 16.881 10.911 ( -6.492 0.000 0.237) 6.496 10.923 ( -6.558 0.000 -0.241) 6.563 11.512 ( -18.518 0.000 0.207) 18.520 11.524 ( -18.953 0.000 -0.698) 18.965 11.576 ( -20.152 0.000 1.699) 20.223 11.721 ( -22.180 0.000 -4.925) 22.720 14.139 ( 28.213 0.000 -0.331) 28.215 14.170 ( 29.043 0.000 -2.174) 29.125 17.331 ( -20.480 0.000 0.550) 20.487 17.357 ( -20.253 0.000 -0.464) 20.259 19.822 ( 30.585 0.000 9.270) 31.959 20.792 ( 25.046 0.000 -41.497) 48.469 21.693 ( 4.957 0.000 1.618) 5.215 21.767 ( 5.750 0.000 -1.005) 5.837 24.312 ( -11.703 0.000 33.398) 35.389 24.973 ( -4.465 0.000 -4.584) 6.399 25.222 ( -9.133 0.000 0.710) 9.160 25.275 ( -5.235 0.000 0.304) 5.243 26.432 ( 2.519 0.000 1.507) 2.936 26.527 ( 1.723 0.000 -2.526) 3.057 26.735 ( -0.627 0.000 2.189) 2.277 26.813 ( -1.536 0.000 -1.174) 1.934 ======================= Grid point 102 (34/90) ======================= q-point: ( 0.30 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( 10.934 0.000 0.621) 10.952 1.027 ( 12.006 0.000 0.247) 12.009 1.060 ( 7.920 0.000 -1.222) 8.013 1.143 ( 4.581 0.000 -3.772) 5.934 1.272 ( -1.145 0.000 3.631) 3.808 1.531 ( -3.027 0.000 2.554) 3.960 1.578 ( -2.446 0.000 -7.856) 8.228 1.652 ( 0.245 0.000 -2.267) 2.280 1.740 ( 12.163 0.000 2.121) 12.347 1.841 ( 8.285 0.000 5.042) 9.698 1.869 ( 8.704 0.000 -2.851) 9.159 1.897 ( 18.150 0.000 5.701) 19.024 2.011 ( 10.233 0.000 -1.751) 10.381 2.177 ( 14.421 0.000 -4.497) 15.106 2.312 ( -8.177 0.000 2.294) 8.493 2.398 ( -4.260 0.000 -1.181) 4.420 2.754 ( -3.516 0.000 0.553) 3.559 2.805 ( -4.901 0.000 -1.840) 5.235 2.831 ( 6.725 0.000 0.625) 6.754 2.883 ( 5.697 0.000 -1.274) 5.838 2.947 ( -3.715 0.000 2.194) 4.314 3.019 ( -3.163 0.000 -1.022) 3.324 3.447 ( -8.389 0.000 9.637) 12.777 3.909 ( -9.005 0.000 -8.894) 12.657 4.457 ( 29.644 0.000 3.259) 29.823 4.705 ( 33.517 0.000 -6.926) 34.225 5.870 ( -1.193 0.000 9.673) 9.746 5.915 ( 6.463 0.000 0.886) 6.523 5.962 ( 5.951 0.000 -0.976) 6.031 6.189 ( 2.515 0.000 -4.202) 4.898 6.986 ( -17.393 0.000 0.839) 17.413 7.027 ( -17.023 0.000 -0.768) 17.041 7.689 ( 10.591 0.000 3.920) 11.293 7.911 ( 7.819 0.000 -5.042) 9.303 8.465 ( 2.039 0.000 3.303) 3.882 8.586 ( 3.067 0.000 -1.673) 3.494 9.572 ( 17.187 0.000 0.077) 17.187 9.576 ( 17.115 0.000 -0.067) 17.115 10.744 ( -9.486 0.000 0.203) 9.488 10.754 ( -9.590 0.000 -0.206) 9.592 11.097 ( -20.133 0.000 0.206) 20.134 11.108 ( -19.470 0.000 -0.072) 19.470 11.159 ( -19.555 0.000 1.536) 19.615 11.277 ( -19.962 0.000 -3.169) 20.212 14.730 ( 28.160 0.000 0.124) 28.160 14.762 ( 27.832 0.000 -1.261) 27.860 16.868 ( -23.522 0.000 0.547) 23.528 16.894 ( -23.704 0.000 -0.461) 23.708 20.424 ( 26.442 0.000 9.605) 28.132 21.162 ( 12.754 0.000 -23.233) 26.504 21.726 ( -2.405 0.000 2.190) 3.252 21.817 ( -1.306 0.000 -0.982) 1.634 24.268 ( 5.663 0.000 17.450) 18.346 24.825 ( -5.789 0.000 -8.764) 10.503 25.091 ( -3.859 0.000 4.990) 6.308 25.228 ( -2.662 0.000 -1.527) 3.069 26.494 ( 3.315 0.000 1.185) 3.520 26.568 ( 2.161 0.000 -1.982) 2.932 26.718 ( -1.052 0.000 1.607) 1.920 26.773 ( -2.267 0.000 -0.813) 2.408 ======================= Grid point 103 (35/90) ======================= q-point: ( 0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( 4.117 0.000 3.084) 5.144 1.201 ( 6.045 0.000 0.316) 6.053 1.233 ( 9.822 0.000 -0.918) 9.864 1.247 ( 1.831 0.000 0.075) 1.832 1.290 ( 5.529 0.000 0.062) 5.529 1.438 ( -5.288 0.000 2.500) 5.849 1.513 ( -3.777 0.000 -5.655) 6.800 1.570 ( -6.003 0.000 -2.785) 6.617 1.933 ( 6.011 0.000 2.523) 6.519 2.061 ( 12.310 0.000 3.604) 12.827 2.090 ( 7.778 0.000 -3.414) 8.494 2.166 ( -3.780 0.000 4.076) 5.559 2.185 ( 10.629 0.000 0.034) 10.629 2.248 ( 9.599 0.000 1.963) 9.797 2.333 ( -2.349 0.000 -2.461) 3.402 2.374 ( 3.639 0.000 -1.504) 3.937 2.711 ( -1.143 0.000 0.128) 1.150 2.743 ( 0.316 0.000 -1.467) 1.500 2.856 ( -4.619 0.000 2.626) 5.314 2.936 ( -4.674 0.000 -1.080) 4.797 2.960 ( 4.991 0.000 -0.999) 5.090 3.005 ( 5.544 0.000 -4.045) 6.863 3.284 ( -5.240 0.000 7.787) 9.386 3.635 ( -14.885 0.000 -7.691) 16.754 5.071 ( 26.246 0.000 5.210) 26.759 5.351 ( 25.753 0.000 -7.347) 26.781 5.811 ( -3.791 0.000 10.286) 10.962 6.084 ( 9.863 0.000 0.828) 9.897 6.128 ( 9.981 0.000 -0.913) 10.023 6.153 ( -6.190 0.000 -4.879) 7.881 6.636 ( -16.032 0.000 0.967) 16.061 6.682 ( -15.865 0.000 -0.875) 15.889 7.949 ( 14.091 0.000 2.806) 14.367 8.115 ( 11.566 0.000 -4.134) 12.282 8.452 ( -4.110 0.000 3.465) 5.376 8.584 ( -4.219 0.000 -2.119) 4.721 9.921 ( 16.180 0.000 0.059) 16.180 9.924 ( 16.215 0.000 -0.053) 16.215 10.518 ( -12.169 0.000 0.155) 12.170 10.526 ( -12.303 0.000 -0.155) 12.304 10.735 ( -12.897 0.000 0.960) 12.933 10.767 ( -12.416 0.000 0.888) 12.448 10.811 ( -12.144 0.000 0.327) 12.148 10.914 ( -14.258 0.000 -2.604) 14.494 15.301 ( 26.721 0.000 0.302) 26.723 15.327 ( 26.532 0.000 -0.746) 26.542 16.365 ( -24.652 0.000 0.442) 24.656 16.387 ( -24.742 0.000 -0.418) 24.745 20.915 ( 20.902 0.000 7.227) 22.116 21.381 ( 9.037 0.000 -12.163) 15.153 21.588 ( -10.525 0.000 2.785) 10.887 21.725 ( -6.797 0.000 -2.291) 7.173 24.472 ( 12.275 0.000 8.000) 14.652 24.795 ( 1.378 0.000 -6.272) 6.421 24.998 ( -4.770 0.000 4.644) 6.657 25.141 ( -5.708 0.000 -1.971) 6.039 26.567 ( 3.575 0.000 0.761) 3.655 26.614 ( 2.190 0.000 -1.289) 2.541 26.691 ( -1.618 0.000 0.930) 1.866 26.720 ( -2.776 0.000 -0.404) 2.805 ======================= Grid point 104 (36/90) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( -1.043 0.000 3.124) 3.294 1.245 ( 1.043 0.000 3.124) 3.294 1.320 ( -5.483 0.000 1.605) 5.713 1.320 ( 5.483 0.000 1.605) 5.713 1.418 ( -5.435 0.000 -3.567) 6.501 1.418 ( 5.435 0.000 -3.567) 6.501 1.423 ( -7.944 0.000 -2.387) 8.295 1.423 ( 7.944 0.000 -2.387) 8.295 2.033 ( -4.618 0.000 3.923) 6.059 2.033 ( 4.618 0.000 3.923) 6.059 2.267 ( -4.792 0.000 -3.777) 6.101 2.267 ( 4.792 0.000 -3.777) 6.101 2.291 ( -6.154 0.000 1.560) 6.349 2.291 ( 6.154 0.000 1.560) 6.349 2.345 ( -1.319 0.000 1.263) 1.826 2.345 ( 1.319 0.000 1.263) 1.826 2.733 ( -2.992 0.000 1.102) 3.189 2.733 ( 2.992 0.000 1.102) 3.189 2.837 ( -4.103 0.000 -0.429) 4.125 2.837 ( 4.103 0.000 -0.429) 4.125 3.037 ( -2.357 0.000 -1.966) 3.069 3.037 ( 2.357 0.000 -1.966) 3.069 3.347 ( -11.066 0.000 -1.804) 11.212 3.347 ( 11.066 0.000 -1.804) 11.212 5.490 ( -12.622 0.000 3.414) 13.076 5.490 ( 12.622 0.000 3.414) 13.076 5.930 ( -14.359 0.000 -1.810) 14.473 5.930 ( 14.359 0.000 -1.810) 14.473 6.324 ( -11.634 0.000 0.558) 11.647 6.324 ( 11.634 0.000 0.558) 11.647 6.378 ( -11.734 0.000 -0.544) 11.746 6.378 ( 11.734 0.000 -0.544) 11.746 8.231 ( -10.116 0.000 0.711) 10.141 8.231 ( 10.116 0.000 0.711) 10.141 8.414 ( -9.513 0.000 -0.798) 9.547 8.414 ( 9.513 0.000 -0.798) 9.547 10.240 ( -11.363 0.000 0.031) 11.363 10.240 ( 11.363 0.000 0.031) 11.363 10.246 ( -11.501 0.000 -0.029) 11.501 10.246 ( 11.501 0.000 -0.029) 11.501 10.612 ( -1.431 0.000 1.854) 2.342 10.612 ( 1.431 0.000 1.854) 2.342 10.720 ( -3.348 0.000 -1.903) 3.851 10.720 ( 3.348 0.000 -1.903) 3.851 15.844 ( -25.145 0.000 0.370) 25.148 15.844 ( 25.145 0.000 0.370) 25.148 15.867 ( -25.009 0.000 -0.494) 25.014 15.867 ( 25.009 0.000 -0.494) 25.014 21.301 ( -16.246 0.000 4.512) 16.861 21.301 ( 16.246 0.000 4.512) 16.861 21.563 ( -8.260 0.000 -5.802) 10.094 21.563 ( 8.260 0.000 -5.802) 10.094 24.718 ( -9.878 0.000 2.485) 10.186 24.718 ( 9.878 0.000 2.485) 10.186 25.008 ( -5.935 0.000 -1.212) 6.058 25.008 ( 5.935 0.000 -1.212) 6.058 26.635 ( -2.334 0.000 0.083) 2.336 26.635 ( 2.334 0.000 0.083) 2.336 26.668 ( -1.581 0.000 -0.083) 1.583 26.668 ( 1.581 0.000 -0.083) 1.583 ======================= Grid point 110 (37/90) ======================= q-point: ( 0.00 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.477 ( 0.000 0.823 16.473) 16.494 0.538 ( 0.000 17.664 5.696) 18.560 0.738 ( 0.000 29.962 3.208) 30.133 0.763 ( 0.000 23.505 -1.027) 23.528 0.852 ( 0.000 10.636 -4.398) 11.509 1.005 ( 0.000 2.231 -1.551) 2.717 1.272 ( 0.000 -0.000 -2.639) 2.639 1.421 ( 0.000 1.055 -2.432) 2.651 1.492 ( 0.000 -6.162 3.179) 6.933 1.536 ( 0.000 -1.701 -5.712) 5.960 1.634 ( 0.000 -7.160 -1.892) 7.406 1.646 ( 0.000 1.398 -4.389) 4.606 1.847 ( 0.000 7.590 2.825) 8.099 1.964 ( 0.000 6.160 -1.928) 6.454 2.668 ( 0.000 -8.410 7.703) 11.404 2.690 ( 0.000 0.754 0.263) 0.798 2.712 ( 0.000 1.708 -0.323) 1.739 2.719 ( 0.000 0.571 0.490) 0.752 2.801 ( 0.000 -2.783 2.817) 3.960 2.846 ( 0.000 -4.866 1.425) 5.071 3.069 ( 0.000 3.901 1.137) 4.064 3.090 ( 0.000 2.780 -0.494) 2.823 3.204 ( 0.000 8.726 9.076) 12.590 3.760 ( 0.000 3.764 -7.263) 8.181 4.048 ( 0.000 7.017 -11.614) 13.569 4.115 ( 0.000 -1.552 -2.689) 3.105 5.708 ( 0.000 0.585 0.352) 0.682 5.733 ( 0.000 0.941 -0.533) 1.081 5.737 ( 0.000 -0.332 1.774) 1.805 5.817 ( 0.000 -1.547 -1.508) 2.161 7.329 ( 0.000 -1.247 3.397) 3.619 7.573 ( 0.000 -4.670 -6.194) 7.758 7.848 ( 0.000 0.481 0.548) 0.729 7.870 ( 0.000 0.101 -0.143) 0.175 8.337 ( 0.000 -1.514 4.157) 4.424 8.439 ( 0.000 -5.386 1.903) 5.713 8.745 ( 0.000 1.713 0.425) 1.765 8.750 ( 0.000 0.448 0.878) 0.986 11.082 ( 0.000 1.775 -0.229) 1.790 11.085 ( 0.000 1.940 -0.994) 2.179 11.936 ( 0.000 -0.270 1.247) 1.276 11.977 ( 0.000 -2.256 1.094) 2.508 12.211 ( 0.000 -0.051 0.091) 0.105 12.225 ( 0.000 -0.515 -0.207) 0.555 13.174 ( 0.000 -0.557 1.348) 1.459 13.269 ( 0.000 -1.930 -2.044) 2.811 17.826 ( 0.000 -0.430 0.203) 0.475 17.835 ( 0.000 -0.467 -0.110) 0.479 18.949 ( 0.000 0.022 0.012) 0.025 18.950 ( 0.000 0.019 -0.018) 0.027 21.499 ( 0.000 -0.417 0.619) 0.747 21.528 ( 0.000 -0.781 -0.434) 0.893 24.341 ( 0.000 -47.233 46.096) 65.998 24.984 ( 0.000 -0.503 1.137) 1.243 25.034 ( 0.000 -2.556 -1.310) 2.872 25.278 ( 0.000 -34.392 -7.541) 35.209 26.597 ( 0.000 12.654 -0.161) 12.655 26.600 ( 0.000 7.491 -0.248) 7.495 27.163 ( 0.000 24.662 9.821) 26.546 28.152 ( 0.000 37.934 -44.767) 58.677 ======================= Grid point 111 (38/90) ======================= q-point: ( 0.10 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.463 ( 1.738 9.735 7.467) 12.392 0.622 ( 13.078 1.202 12.969) 18.457 0.772 ( 3.567 15.257 -4.496) 16.301 0.985 ( 11.064 4.952 0.758) 12.145 1.037 ( 12.407 9.431 -4.892) 16.334 1.134 ( 10.035 9.337 -4.975) 14.582 1.331 ( 6.961 2.127 0.743) 7.316 1.409 ( -1.434 -3.319 3.362) 4.937 1.529 ( 5.942 -1.340 1.283) 6.225 1.615 ( 4.637 -0.917 -3.697) 6.001 1.635 ( 2.520 4.562 -6.266) 8.150 1.685 ( 4.048 -5.255 -3.175) 7.354 1.826 ( -1.413 8.124 2.982) 8.769 1.946 ( -1.620 6.143 -1.815) 6.607 2.619 ( -2.340 -2.947 5.626) 6.768 2.668 ( -2.586 3.757 0.386) 4.577 2.675 ( -3.402 2.699 0.845) 4.424 2.707 ( 0.500 -2.716 0.918) 2.911 2.974 ( 3.457 2.427 1.808) 4.594 3.016 ( 16.115 -1.236 0.670) 16.176 3.064 ( 1.910 2.530 1.214) 3.395 3.107 ( 4.089 1.953 0.639) 4.576 3.186 ( -0.744 8.160 5.086) 9.644 3.635 ( -8.567 9.164 -8.166) 14.968 3.823 ( -1.518 -0.556 6.559) 6.755 4.254 ( -0.458 -6.253 -12.558) 14.036 5.760 ( 2.463 0.122 1.578) 2.928 5.779 ( 2.047 -0.981 2.012) 3.034 5.822 ( 9.200 -0.662 0.238) 9.227 5.871 ( 4.393 0.884 -2.154) 4.972 7.353 ( 3.005 -2.585 4.572) 6.051 7.631 ( 4.133 -5.269 -7.057) 9.728 7.681 ( -13.732 0.162 0.579) 13.745 7.704 ( -13.531 -0.047 -0.269) 13.534 8.351 ( 1.385 -1.230 3.733) 4.167 8.433 ( 0.670 -2.589 1.402) 3.020 8.908 ( 13.425 0.991 0.543) 13.473 8.911 ( 13.637 1.878 0.210) 13.767 11.035 ( -3.894 1.600 0.165) 4.213 11.050 ( -3.436 1.930 -0.457) 3.968 11.822 ( -10.741 -0.259 0.887) 10.781 11.837 ( -11.347 -0.560 0.420) 11.369 11.984 ( -17.903 -0.023 0.405) 17.908 12.117 ( -15.023 -2.877 -6.224) 16.514 13.491 ( 27.515 -4.130 1.013) 27.842 13.565 ( 23.383 -2.045 -1.641) 23.530 17.685 ( -12.845 -0.299 0.353) 12.854 17.701 ( -12.329 -0.366 -0.283) 12.338 19.210 ( 23.001 -1.209 3.423) 23.285 19.665 ( 49.405 -20.034 -24.016) 58.472 21.564 ( 5.650 -0.378 0.957) 5.743 21.608 ( 6.658 -0.956 -0.621) 6.755 24.235 ( -7.775 -31.938 40.308) 52.012 24.974 ( -0.980 -2.327 -0.610) 2.598 25.084 ( 3.391 -5.242 -0.958) 6.316 25.180 ( -8.088 -29.115 -6.108) 30.828 26.578 ( -1.461 11.889 0.389) 11.985 26.600 ( -0.000 7.011 -0.484) 7.028 27.110 ( -4.613 21.980 6.989) 23.521 27.686 ( -31.118 43.799 -19.912) 57.299 ======================= Grid point 112 (39/90) ======================= q-point: ( 0.20 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.624 ( 11.736 -3.405 -0.945) 12.257 0.835 ( 3.699 2.557 -4.878) 6.635 0.955 ( 14.430 4.319 8.761) 17.425 1.181 ( 3.941 4.837 -2.736) 6.813 1.221 ( 8.433 -2.067 -0.176) 8.685 1.309 ( 8.368 -4.372 -2.334) 9.725 1.388 ( 6.891 -2.049 0.635) 7.217 1.594 ( 3.814 2.441 -4.429) 6.334 1.651 ( 5.899 -4.349 4.425) 8.561 1.686 ( 10.911 9.631 1.876) 14.674 1.732 ( -1.680 2.743 -1.127) 3.409 1.796 ( 5.783 -0.949 -1.148) 5.971 1.893 ( 4.697 6.189 -2.224) 8.082 1.949 ( 9.647 8.147 -2.910) 12.958 2.526 ( -6.196 3.449 1.590) 7.267 2.567 ( -5.387 4.588 -0.036) 7.076 2.696 ( 4.047 -0.471 2.385) 4.721 2.751 ( 3.696 -1.445 -0.140) 3.971 2.926 ( -4.459 6.349 2.378) 8.114 3.011 ( -3.677 5.259 -1.285) 6.544 3.102 ( -4.921 10.043 1.124) 11.240 3.143 ( -1.766 6.693 -0.630) 6.950 3.491 ( 9.122 -4.127 6.223) 11.788 3.652 ( 14.562 -4.176 4.368) 15.766 4.034 ( 24.231 -1.616 -5.275) 24.851 4.177 ( -3.553 -5.882 -9.646) 11.843 5.807 ( 1.219 -2.011 3.855) 4.515 5.841 ( 4.816 1.764 0.989) 5.224 5.955 ( 3.813 4.498 0.235) 5.902 6.021 ( 8.401 -3.307 -1.239) 9.113 7.351 ( -16.612 0.131 0.613) 16.624 7.382 ( -16.461 0.071 -0.562) 16.471 7.462 ( 6.931 -3.525 4.757) 9.115 7.727 ( 5.321 -4.867 -5.995) 9.378 8.397 ( 2.957 -0.837 3.092) 4.360 8.486 ( 3.984 -1.504 -0.492) 4.287 9.236 ( 17.112 1.513 0.223) 17.180 9.240 ( 17.076 2.220 0.042) 17.220 10.926 ( -6.552 1.391 0.325) 6.706 10.945 ( -6.615 1.859 -0.390) 6.882 11.509 ( -18.546 -0.251 0.219) 18.549 11.520 ( -18.894 -0.282 -0.627) 18.906 11.571 ( -20.317 -0.453 1.732) 20.396 11.708 ( -21.727 -1.298 -4.315) 22.190 14.113 ( 29.990 -4.128 -0.643) 30.280 14.120 ( 28.809 -1.898 -0.755) 28.882 17.330 ( -20.406 -0.112 0.513) 20.413 17.354 ( -20.214 -0.286 -0.428) 20.220 19.790 ( 30.148 -2.741 7.866) 31.278 20.522 ( 31.093 -21.208 -27.467) 46.594 21.687 ( 4.764 -0.529 1.495) 5.021 21.749 ( 5.545 -1.343 -0.694) 5.747 24.123 ( -1.236 -13.563 27.159) 30.383 24.870 ( -9.083 -13.784 -9.107) 18.853 25.061 ( -1.386 -8.095 2.779) 8.670 25.152 ( 2.224 -6.343 -1.339) 6.854 26.554 ( -0.574 9.098 1.025) 9.174 26.603 ( 0.319 5.562 -0.917) 5.646 26.998 ( -5.708 15.737 2.772) 16.969 27.174 ( -17.517 30.399 -4.343) 35.352 ======================= Grid point 113 (40/90) ======================= q-point: ( 0.30 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.875 ( 10.925 -6.466 -4.004) 13.311 0.929 ( 6.576 -4.739 -5.257) 9.661 1.194 ( 8.740 5.819 5.771) 11.982 1.228 ( 0.824 -0.797 5.966) 6.075 1.297 ( 2.796 6.752 -0.139) 7.309 1.520 ( 4.717 -5.791 -4.438) 8.688 1.590 ( -1.450 4.430 -1.085) 4.786 1.647 ( 8.093 -2.214 -2.116) 8.653 1.693 ( 4.414 -1.492 1.762) 4.982 1.759 ( 3.635 -1.650 -0.711) 4.055 1.824 ( 9.026 -1.274 3.627) 9.811 1.945 ( 8.648 -4.567 -1.786) 9.941 2.079 ( 10.581 7.905 1.098) 13.253 2.197 ( 9.860 2.259 -3.179) 10.603 2.385 ( -6.607 6.061 2.242) 9.242 2.476 ( -3.276 6.118 -1.335) 7.067 2.807 ( 5.517 -0.926 0.016) 5.595 2.828 ( 0.783 3.744 -0.560) 3.866 2.862 ( 1.161 2.052 0.219) 2.368 2.913 ( -3.742 6.768 -1.799) 7.940 3.006 ( -4.233 5.829 2.564) 7.646 3.087 ( -3.478 5.850 -1.261) 6.922 3.415 ( -7.579 -2.856 8.309) 11.603 3.804 ( -8.026 -9.383 -7.403) 14.396 4.452 ( 28.873 -0.427 2.981) 29.029 4.667 ( 32.754 -3.291 -5.677) 33.405 5.810 ( -1.336 -4.093 6.861) 8.100 5.968 ( 7.210 3.616 -0.334) 8.073 6.050 ( 5.799 6.763 -0.015) 8.909 6.134 ( 2.108 -4.355 -2.683) 5.532 7.002 ( -16.378 1.461 0.810) 16.463 7.042 ( -15.854 1.333 -0.755) 15.928 7.651 ( 11.142 -3.252 3.932) 12.255 7.866 ( 8.381 -3.998 -4.748) 10.429 8.456 ( 2.011 -0.773 3.006) 3.698 8.569 ( 2.999 -1.557 -1.598) 3.738 9.597 ( 17.257 1.951 0.092) 17.367 9.600 ( 17.259 2.453 -0.037) 17.432 10.760 ( -9.422 1.467 0.270) 9.539 10.776 ( -9.577 1.911 -0.330) 9.772 11.093 ( -20.164 -0.315 0.233) 20.168 11.104 ( -19.563 -0.343 0.019) 19.566 11.153 ( -19.544 -0.564 1.489) 19.609 11.267 ( -19.878 -0.953 -2.995) 20.125 14.715 ( 28.408 -1.442 -0.061) 28.445 14.730 ( 28.706 -2.556 -0.757) 28.829 16.867 ( -23.546 -0.067 0.504) 23.552 16.891 ( -23.743 -0.275 -0.416) 23.749 20.391 ( 26.721 -2.846 8.424) 28.162 21.007 ( 17.293 -13.284 -18.225) 28.419 21.716 ( -2.563 -0.883 2.008) 3.374 21.796 ( -1.495 -1.758 -0.901) 2.477 24.207 ( 8.850 -5.040 14.677) 17.864 24.728 ( -2.861 -9.269 -8.437) 12.857 25.038 ( -1.978 -3.541 4.041) 5.726 25.167 ( -1.034 -4.602 -1.787) 5.044 26.561 ( 1.215 5.517 1.080) 5.751 26.616 ( 0.999 3.736 -1.111) 4.024 26.881 ( -5.443 9.458 0.646) 10.931 26.912 ( -8.771 15.765 -0.570) 18.050 ======================= Grid point 114 (41/90) ======================= q-point: ( 0.40 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( 8.147 -6.984 -1.626) 10.853 1.100 ( 8.172 -5.966 -3.970) 10.869 1.237 ( 0.044 -1.802 3.420) 3.866 1.334 ( 3.805 3.442 3.492) 6.207 1.362 ( 4.302 5.198 2.950) 7.364 1.451 ( -6.523 -1.398 -3.195) 7.397 1.518 ( -4.823 2.416 -0.416) 5.410 1.595 ( -4.973 1.793 -2.776) 5.971 1.896 ( 7.819 -2.482 0.708) 8.234 1.982 ( 10.663 -6.430 -0.385) 12.458 2.048 ( 10.501 -1.079 4.949) 11.659 2.126 ( 7.606 -6.100 0.464) 9.761 2.207 ( 2.325 -1.314 -0.502) 2.717 2.298 ( -0.157 6.936 2.918) 7.527 2.334 ( 2.564 -0.247 -3.328) 4.208 2.418 ( -2.590 5.415 -2.097) 6.358 2.813 ( -0.379 8.156 0.099) 8.166 2.839 ( 0.368 7.478 -1.147) 7.575 2.917 ( -2.234 4.678 1.731) 5.465 2.938 ( 2.981 -1.055 0.139) 3.165 2.955 ( 1.301 0.567 -1.863) 2.342 3.025 ( -0.055 3.212 -3.112) 4.473 3.262 ( -5.301 -1.924 6.943) 8.945 3.565 ( -12.997 -6.312 -6.422) 15.811 5.041 ( 24.969 -2.548 4.709) 25.537 5.292 ( 25.054 -5.059 -6.357) 26.338 5.741 ( -4.899 -5.674 8.606) 11.413 6.048 ( -5.345 -7.322 -5.152) 10.427 6.176 ( 8.422 6.546 1.333) 10.749 6.222 ( 9.803 7.297 -0.607) 12.236 6.680 ( -14.478 3.814 1.099) 15.012 6.733 ( -13.806 4.090 -1.003) 14.434 7.924 ( 14.773 -2.139 2.743) 15.177 8.083 ( 12.263 -2.859 -3.846) 13.166 8.441 ( -4.310 -0.932 3.188) 5.442 8.565 ( -4.340 -1.716 -2.001) 5.078 9.945 ( 16.059 2.044 0.077) 16.189 9.950 ( 16.202 2.490 -0.112) 16.393 10.535 ( -12.121 1.515 0.188) 12.217 10.548 ( -12.263 2.015 -0.307) 12.431 10.731 ( -12.928 -0.364 0.984) 12.971 10.761 ( -12.462 -0.516 0.863) 12.502 10.806 ( -12.098 -0.482 0.407) 12.115 10.907 ( -14.136 -0.737 -2.501) 14.374 15.291 ( 26.954 -0.941 0.201) 26.971 15.310 ( 27.009 -1.514 -0.549) 27.057 16.363 ( -24.767 -0.206 0.387) 24.771 16.382 ( -24.913 -0.468 -0.357) 24.920 20.890 ( 21.352 -2.130 6.470) 22.412 21.298 ( 11.656 -7.341 -10.342) 17.225 21.575 ( -10.712 -1.126 2.549) 11.069 21.698 ( -7.279 -2.394 -2.105) 7.947 24.450 ( 13.245 -1.919 7.104) 15.152 24.754 ( 3.857 -3.927 -6.151) 8.254 24.962 ( -4.888 -2.833 4.385) 7.152 25.102 ( -5.153 -3.352 -2.041) 6.477 26.603 ( 2.755 3.148 0.793) 4.258 26.646 ( 1.899 2.603 -0.938) 3.356 26.768 ( -5.131 6.017 0.368) 7.916 26.780 ( -4.629 6.108 -0.126) 7.665 ======================= Grid point 115 (42/90) ======================= q-point: (-0.50 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( -2.830 -4.128 0.835) 5.074 1.190 ( 2.830 -4.128 0.835) 5.074 1.284 ( -7.262 -4.415 -2.100) 8.754 1.284 ( 7.262 -4.415 -2.100) 8.754 1.405 ( -3.810 1.773 2.327) 4.804 1.405 ( 3.810 1.773 2.327) 4.804 1.489 ( -4.924 3.008 -1.616) 5.992 1.489 ( 4.924 3.008 -1.616) 5.992 2.016 ( -3.885 -1.465 2.514) 4.854 2.016 ( 3.885 -1.465 2.514) 4.854 2.221 ( -1.697 -5.298 -0.126) 5.564 2.221 ( 1.697 -5.298 -0.126) 5.564 2.271 ( -4.449 -0.350 -0.528) 4.494 2.271 ( 4.449 -0.350 -0.528) 4.494 2.361 ( -3.594 2.274 0.139) 4.255 2.361 ( 3.594 2.274 0.139) 4.255 2.831 ( -1.655 7.672 0.416) 7.859 2.831 ( 1.655 7.672 0.416) 7.859 2.902 ( -2.195 5.705 0.032) 6.113 2.902 ( 2.195 5.705 0.032) 6.113 3.020 ( -2.953 -1.320 -1.499) 3.565 3.020 ( 2.953 -1.320 -1.499) 3.565 3.312 ( -9.806 -3.217 -1.629) 10.448 3.312 ( 9.807 -3.217 -1.629) 10.448 5.442 ( -12.325 -4.084 3.079) 13.344 5.442 ( 12.325 -4.084 3.079) 13.344 5.824 ( -14.051 -8.458 -1.803) 16.499 5.824 ( 14.051 -8.458 -1.803) 16.499 6.393 ( -9.994 6.012 0.509) 11.674 6.393 ( 9.994 6.012 0.509) 11.674 6.467 ( -10.161 6.938 -0.437) 12.311 6.467 ( 10.161 6.938 -0.437) 12.311 8.218 ( -10.428 -1.064 0.672) 10.503 8.218 ( 10.428 -1.064 0.672) 10.503 8.390 ( -9.805 -2.192 -0.722) 10.073 8.390 ( 9.805 -2.192 -0.722) 10.073 10.260 ( -12.350 1.744 0.061) 12.473 10.260 ( 12.350 1.744 0.061) 12.473 10.270 ( -12.564 2.277 -0.158) 12.769 10.270 ( 12.564 2.277 -0.158) 12.769 10.607 ( -1.388 -0.457 1.827) 2.340 10.607 ( 1.388 -0.457 1.827) 2.340 10.714 ( -3.296 -0.567 -1.791) 3.793 10.714 ( 3.296 -0.567 -1.791) 3.793 15.838 ( -25.328 -0.503 0.300) 25.335 15.838 ( 25.328 -0.503 0.300) 25.335 15.857 ( -25.278 -0.887 -0.396) 25.297 15.857 ( 25.278 -0.887 -0.396) 25.297 21.285 ( -16.553 -1.418 4.077) 17.107 21.285 ( 16.553 -1.418 4.077) 17.107 21.519 ( -9.547 -4.006 -5.123) 11.552 21.519 ( 9.547 -4.006 -5.123) 11.552 24.707 ( -9.978 -0.968 2.279) 10.280 24.707 ( 9.978 -0.968 2.279) 10.280 24.970 ( -6.383 -3.449 -1.283) 7.368 24.970 ( 6.383 -3.449 -1.283) 7.368 26.670 ( -3.190 3.115 0.177) 4.462 26.670 ( 3.190 3.115 0.177) 4.462 26.702 ( -2.400 3.044 -0.144) 3.880 26.702 ( 2.400 3.044 -0.144) 3.880 ======================= Grid point 121 (43/90) ======================= q-point: ( 0.00 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.485 ( 0.000 0.917 5.171) 5.252 0.810 ( 0.000 3.510 -6.581) 7.458 1.070 ( 0.000 7.476 -3.066) 8.080 1.076 ( 0.000 7.836 -0.146) 7.837 1.211 ( 0.000 12.691 1.118) 12.740 1.264 ( 0.000 1.531 -3.181) 3.531 1.325 ( 0.000 4.160 2.231) 4.720 1.349 ( 0.000 1.464 6.346) 6.512 1.351 ( 0.000 14.448 2.004) 14.587 1.424 ( 0.000 -7.929 -0.909) 7.981 1.710 ( 0.000 9.843 -7.456) 12.348 1.756 ( 0.000 6.829 -8.027) 10.539 2.017 ( 0.000 7.813 3.769) 8.675 2.126 ( 0.000 8.682 -1.713) 8.849 2.574 ( 0.000 -1.756 5.616) 5.885 2.630 ( 0.000 -3.290 0.879) 3.405 2.711 ( 0.000 -3.093 -0.170) 3.098 2.736 ( 0.000 -2.984 -0.433) 3.016 2.798 ( 0.000 3.144 1.569) 3.514 2.829 ( 0.000 4.019 0.378) 4.037 3.166 ( 0.000 4.210 -0.153) 4.212 3.168 ( 0.000 5.352 -0.433) 5.369 3.361 ( 0.000 5.953 10.464) 12.039 3.781 ( 0.000 0.026 -0.129) 0.131 4.052 ( 0.000 -5.299 -9.843) 11.179 4.060 ( 0.000 -3.809 -2.694) 4.666 5.698 ( 0.000 -1.179 0.652) 1.348 5.748 ( 0.000 -0.531 -1.451) 1.545 5.756 ( 0.000 1.724 0.924) 1.956 5.785 ( 0.000 -0.469 -0.121) 0.485 7.311 ( 0.000 -0.547 1.222) 1.339 7.461 ( 0.000 -5.383 -4.227) 6.845 7.857 ( 0.000 0.280 0.614) 0.675 7.867 ( 0.000 -0.331 0.546) 0.638 8.305 ( 0.000 -1.267 2.349) 2.669 8.361 ( 0.000 -2.631 0.749) 2.735 8.755 ( 0.000 0.250 1.579) 1.599 8.779 ( 0.000 1.252 0.289) 1.285 11.113 ( 0.000 0.867 -0.162) 0.882 11.119 ( 0.000 1.508 -0.338) 1.546 11.929 ( 0.000 -0.414 0.977) 1.061 11.942 ( 0.000 -1.246 1.022) 1.611 12.216 ( 0.000 0.382 -0.387) 0.544 12.217 ( 0.000 -0.210 -0.196) 0.287 13.169 ( 0.000 0.033 0.320) 0.322 13.227 ( 0.000 -1.873 -1.626) 2.481 17.816 ( 0.000 -0.447 0.186) 0.484 17.825 ( 0.000 -0.500 -0.146) 0.521 18.950 ( 0.000 0.039 0.008) 0.039 18.950 ( 0.000 0.031 -0.019) 0.036 21.489 ( 0.000 -0.508 0.456) 0.682 21.510 ( 0.000 -0.922 -0.362) 0.990 23.760 ( 0.000 -15.944 22.543) 27.612 24.551 ( 0.000 -32.652 -11.360) 34.572 24.973 ( 0.000 -0.550 0.481) 0.731 24.994 ( 0.000 -1.902 -0.264) 1.920 26.797 ( 0.000 10.517 0.263) 10.520 26.854 ( 0.000 11.514 -2.573) 11.798 27.676 ( 0.000 22.753 14.214) 26.828 28.520 ( 0.000 5.422 -21.990) 22.648 ======================= Grid point 122 (44/90) ======================= q-point: ( 0.10 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.589 ( 8.540 0.633 5.960) 10.433 0.799 ( -2.419 12.410 1.714) 12.759 0.942 ( -1.264 -2.084 -7.289) 7.686 1.035 ( -3.290 8.473 -5.163) 10.454 1.217 ( 1.484 2.967 0.733) 3.397 1.303 ( -0.658 -2.871 6.029) 6.710 1.350 ( 4.233 8.195 -1.736) 9.386 1.428 ( 5.672 -3.313 2.340) 6.973 1.482 ( 5.079 -6.679 -0.630) 8.414 1.581 ( 14.365 17.744 -1.465) 22.877 1.760 ( 2.881 7.338 -6.770) 10.391 1.816 ( 7.877 9.034 -5.393) 13.143 2.003 ( -1.065 8.128 3.729) 9.006 2.101 ( -2.091 7.788 -1.233) 8.158 2.569 ( 0.147 -1.328 4.690) 4.877 2.639 ( 0.626 -2.519 1.028) 2.792 2.757 ( -2.270 4.539 0.567) 5.107 2.788 ( -1.173 5.455 -0.823) 5.640 2.950 ( 19.387 -4.174 1.412) 19.882 2.962 ( 16.165 -3.766 0.841) 16.620 3.154 ( -0.832 5.564 0.359) 5.637 3.169 ( -0.063 4.682 0.301) 4.692 3.345 ( -1.296 6.360 6.880) 9.459 3.762 ( -10.398 2.483 -8.628) 13.738 3.808 ( -3.595 -1.045 5.598) 6.734 4.102 ( -2.394 -7.759 -7.143) 10.815 5.764 ( 4.980 0.149 1.336) 5.158 5.774 ( 0.180 0.335 1.207) 1.265 5.807 ( 5.357 -0.645 -0.101) 5.397 5.864 ( 7.877 -1.273 -2.159) 8.266 7.314 ( 1.202 -1.057 2.832) 3.253 7.506 ( 3.646 -6.007 -4.825) 8.524 7.683 ( -13.960 0.052 0.640) 13.975 7.700 ( -13.557 -0.328 0.058) 13.561 8.324 ( 1.779 -1.143 2.337) 3.152 8.381 ( 2.010 -2.317 0.433) 3.098 8.929 ( 14.385 1.077 1.130) 14.470 8.952 ( 14.208 1.749 0.079) 14.315 11.067 ( -3.792 1.427 0.262) 4.060 11.088 ( -3.250 1.512 -0.564) 3.628 11.815 ( -10.664 -0.335 0.738) 10.695 11.824 ( -10.751 -0.653 0.369) 10.778 11.984 ( -18.400 0.075 0.404) 18.404 12.062 ( -14.740 -2.284 -2.780) 15.173 13.438 ( 23.987 -1.002 1.576) 24.060 13.519 ( 23.437 -2.102 -1.644) 23.589 17.679 ( -12.601 -0.292 0.286) 12.607 17.692 ( -12.264 -0.484 -0.234) 12.276 19.183 ( 20.901 -1.153 2.021) 21.030 19.358 ( 33.667 -9.587 -5.901) 35.499 21.555 ( 5.658 -0.450 0.692) 5.718 21.586 ( 6.332 -1.110 -0.494) 6.447 23.781 ( 2.294 -13.893 20.427) 24.810 24.512 ( -3.292 -29.633 -10.703) 31.678 24.977 ( 0.423 -0.823 0.867) 1.268 25.013 ( 1.700 -2.379 -0.621) 2.990 26.781 ( -1.475 9.632 0.126) 9.745 26.821 ( -2.894 10.869 -1.885) 11.405 27.582 ( -8.471 21.348 11.485) 25.679 28.227 ( -24.392 12.252 -15.501) 31.391 ======================= Grid point 123 (45/90) ======================= q-point: ( 0.20 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.681 ( 2.481 7.493 0.680) 7.922 0.868 ( 1.788 1.352 -0.055) 2.242 0.964 ( 9.216 -3.141 0.879) 9.776 1.114 ( 8.697 -1.107 -4.660) 9.928 1.270 ( 3.791 0.039 -0.351) 3.807 1.326 ( 4.343 -1.728 4.409) 6.426 1.403 ( 1.526 5.713 1.307) 6.056 1.573 ( 7.863 -2.691 0.901) 8.359 1.611 ( 6.920 -3.633 -0.608) 7.840 1.726 ( 0.628 7.012 -8.782) 11.255 1.884 ( 1.624 7.943 0.192) 8.110 1.909 ( -0.654 6.598 0.863) 6.686 2.057 ( 6.680 7.720 0.304) 10.214 2.101 ( 6.261 5.643 -1.824) 8.624 2.569 ( -0.851 0.391 3.204) 3.338 2.652 ( -0.884 1.306 -0.265) 1.599 2.707 ( 0.057 2.532 1.755) 3.081 2.772 ( 0.459 3.850 -1.093) 4.029 3.085 ( -2.907 8.572 1.583) 9.189 3.126 ( -1.765 6.300 -0.422) 6.557 3.281 ( 3.175 3.053 1.479) 4.647 3.302 ( -2.425 7.258 0.667) 7.681 3.393 ( 8.695 -3.858 2.024) 9.726 3.522 ( 1.086 -6.655 0.333) 6.751 3.989 ( 18.809 -2.195 -2.351) 19.082 4.075 ( 6.202 -3.427 -3.741) 8.013 5.764 ( -1.087 -1.877 2.830) 3.566 5.872 ( 4.975 -0.823 -2.022) 5.433 5.957 ( 8.060 -0.765 1.828) 8.300 6.036 ( 8.100 2.855 -1.602) 8.737 7.350 ( -12.103 -0.406 0.627) 12.126 7.380 ( -13.676 -0.498 -0.155) 13.686 7.401 ( 0.374 -1.347 3.511) 3.779 7.606 ( 5.779 -6.163 -4.520) 9.582 8.377 ( 3.172 -0.868 2.181) 3.946 8.446 ( 4.026 -2.140 -0.530) 4.590 9.275 ( 17.841 2.067 0.597) 17.970 9.293 ( 17.578 2.487 -0.118) 17.753 10.961 ( -6.402 1.808 0.394) 6.664 10.987 ( -6.418 1.876 -0.587) 6.712 11.504 ( -18.516 -0.184 0.270) 18.519 11.514 ( -18.623 -0.283 -0.457) 18.631 11.561 ( -20.853 -0.453 1.634) 20.922 11.670 ( -21.064 -2.212 -2.957) 21.385 14.032 ( 30.711 -2.859 0.770) 30.853 14.079 ( 28.861 -2.071 -1.053) 28.954 17.328 ( -20.256 -0.075 0.406) 20.260 17.346 ( -20.137 -0.413 -0.320) 20.144 19.728 ( 29.126 -2.811 5.018) 29.688 20.100 ( 33.749 -17.005 -10.919) 39.337 21.674 ( 4.415 -0.611 1.079) 4.586 21.718 ( 5.033 -1.544 -0.606) 5.299 23.877 ( 7.444 -9.156 15.010) 19.093 24.449 ( -1.661 -21.902 -8.935) 23.713 24.989 ( 0.541 -1.333 1.578) 2.135 25.055 ( 1.941 -3.362 -1.148) 4.048 26.742 ( -2.151 7.508 -0.171) 7.812 26.750 ( -3.468 8.757 -0.586) 9.437 27.359 ( -12.033 17.065 6.310) 21.813 27.681 ( -25.199 16.601 -6.694) 30.910 ======================= Grid point 124 (46/90) ======================= q-point: ( 0.30 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( 7.494 -0.567 -4.371) 8.694 0.874 ( 2.180 -0.460 -5.242) 5.695 1.172 ( 4.105 -2.898 6.507) 8.222 1.273 ( 7.692 1.029 5.850) 9.719 1.377 ( 5.314 -3.455 -2.858) 6.953 1.440 ( 3.352 2.556 2.406) 4.854 1.551 ( 15.494 -5.464 -0.191) 16.431 1.667 ( -2.329 -3.495 -0.215) 4.205 1.683 ( -2.933 2.323 -0.484) 3.773 1.755 ( 3.196 2.533 -2.859) 4.980 1.839 ( 1.539 2.266 0.992) 2.913 1.903 ( 3.376 1.632 -0.881) 3.851 2.169 ( 2.831 1.906 0.644) 3.473 2.278 ( 6.996 3.964 -3.369) 8.718 2.520 ( -3.202 6.008 2.542) 7.267 2.608 ( -2.433 6.178 -1.329) 6.771 2.771 ( 4.442 -2.488 0.588) 5.126 2.815 ( 3.636 -0.773 -1.547) 4.027 3.029 ( -1.786 9.619 0.844) 9.819 3.073 ( -2.844 8.089 -1.128) 8.648 3.171 ( -7.106 8.383 1.491) 11.090 3.228 ( -4.467 6.844 -0.990) 8.232 3.340 ( -5.314 -3.894 5.169) 8.374 3.567 ( -5.330 -11.901 -4.223) 13.707 4.442 ( 27.519 -0.414 2.452) 27.631 4.588 ( 30.604 -3.938 -3.380) 31.041 5.719 ( -3.418 -4.216 4.632) 7.135 5.935 ( 0.131 -7.282 -4.726) 8.682 6.135 ( 9.294 5.426 2.341) 11.013 6.203 ( 8.235 6.854 -0.924) 10.754 7.040 ( -14.143 1.998 0.634) 14.298 7.074 ( -13.573 1.531 -0.679) 13.676 7.578 ( 11.760 -3.078 3.546) 12.663 7.762 ( 9.491 -5.577 -3.807) 11.648 8.438 ( 1.951 -0.810 2.242) 3.080 8.526 ( 2.790 -2.364 -1.301) 3.881 9.648 ( 17.660 2.723 0.289) 17.871 9.661 ( 17.528 3.014 -0.221) 17.787 10.799 ( -9.286 2.077 0.337) 9.521 10.823 ( -9.340 2.270 -0.572) 9.629 11.087 ( -20.210 -0.124 0.308) 20.213 11.097 ( -19.746 -0.210 0.121) 19.748 11.138 ( -19.569 -0.818 1.380) 19.635 11.238 ( -19.628 -1.895 -2.430) 19.869 14.666 ( 29.759 -2.570 0.225) 29.870 14.685 ( 28.990 -1.823 -0.538) 29.052 16.866 ( -23.626 -0.048 0.387) 23.630 16.883 ( -23.829 -0.403 -0.298) 23.834 20.324 ( 27.183 -3.092 5.749) 27.956 20.699 ( 23.812 -14.497 -9.667) 29.507 21.695 ( -2.898 -0.977 1.404) 3.366 21.753 ( -2.138 -2.192 -0.835) 3.173 24.098 ( 13.426 -4.688 9.046) 16.855 24.479 ( 4.893 -13.147 -6.634) 15.518 24.984 ( -1.521 -1.648 2.273) 3.193 25.076 ( -0.416 -3.844 -1.532) 4.159 26.688 ( -1.875 6.105 0.314) 6.395 26.708 ( -1.077 4.785 -0.466) 4.927 27.110 ( -11.414 11.275 2.556) 16.246 27.232 ( -17.743 12.783 -2.266) 21.985 ======================= Grid point 125 (47/90) ======================= q-point: ( 0.40 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( 6.790 -4.297 -3.038) 8.590 0.987 ( 7.790 -4.535 -6.298) 10.996 1.191 ( -1.385 -2.320 2.770) 3.870 1.364 ( -7.362 -5.071 -3.495) 9.599 1.393 ( 3.875 2.102 5.717) 7.219 1.458 ( -0.319 2.899 4.281) 5.180 1.563 ( -6.215 0.478 1.965) 6.535 1.636 ( -3.490 1.893 0.540) 4.007 1.821 ( 9.447 -5.532 0.299) 10.952 1.875 ( 12.269 -2.934 -1.695) 12.729 1.991 ( 9.039 -3.873 2.086) 10.052 2.036 ( 7.964 -2.246 -1.192) 8.360 2.174 ( -1.565 0.947 1.008) 2.089 2.354 ( 1.129 1.012 -4.964) 5.190 2.454 ( -3.937 6.621 2.234) 8.020 2.525 ( -5.979 4.306 -0.805) 7.411 2.865 ( 4.525 -3.068 -0.185) 5.471 2.915 ( 5.026 -0.790 -2.747) 5.781 3.012 ( -0.166 8.754 0.570) 8.774 3.039 ( -0.023 8.299 -0.923) 8.350 3.068 ( -2.683 7.351 1.689) 8.006 3.132 ( -4.390 5.790 -0.951) 7.328 3.216 ( -5.227 -1.861 4.313) 7.028 3.406 ( -8.884 -7.944 -3.784) 12.504 4.984 ( 22.601 -2.475 3.553) 23.013 5.169 ( 23.635 -6.193 -4.306) 24.810 5.613 ( -6.716 -5.849 5.838) 10.649 5.858 ( -7.648 -10.004 -4.437) 13.352 6.339 ( 9.952 8.229 1.317) 12.980 6.391 ( 9.863 7.968 -0.789) 12.704 6.773 ( -11.549 4.691 1.072) 12.512 6.823 ( -10.768 4.071 -0.898) 11.546 7.874 ( 16.116 -2.249 2.409) 16.450 8.007 ( 13.854 -4.134 -2.985) 14.763 8.419 ( -4.728 -0.985 2.404) 5.394 8.518 ( -4.617 -2.626 -1.630) 5.556 9.999 ( 15.935 2.938 0.212) 16.205 10.014 ( 16.175 3.231 -0.351) 16.498 10.575 ( -12.072 2.110 0.240) 12.257 10.598 ( -12.054 2.467 -0.794) 12.330 10.725 ( -12.946 0.006 1.073) 12.990 10.750 ( -12.617 -0.458 0.705) 12.645 10.792 ( -12.092 -0.837 0.699) 12.141 10.884 ( -13.765 -1.477 -2.134) 14.007 15.264 ( 27.752 -1.552 0.142) 27.796 15.275 ( 27.608 -1.564 -0.306) 27.654 16.358 ( -25.060 -0.281 0.261) 25.063 16.370 ( -25.291 -0.633 -0.217) 25.300 20.839 ( 22.263 -2.388 4.611) 22.861 21.113 ( 16.703 -9.442 -6.427) 20.235 21.548 ( -11.019 -1.259 1.805) 11.236 21.636 ( -8.562 -3.194 -1.622) 9.281 24.405 ( 15.135 -2.050 4.926) 16.048 24.639 ( 9.353 -6.655 -4.806) 12.444 24.908 ( -5.828 -1.919 3.071) 6.861 25.022 ( -4.935 -3.972 -1.810) 6.588 26.681 ( 1.353 3.964 0.567) 4.227 26.709 ( 1.405 3.198 -0.554) 3.536 26.898 ( -8.811 6.358 0.912) 10.903 26.939 ( -10.657 7.315 -0.709) 12.945 ======================= Grid point 126 (48/90) ======================= q-point: (-0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( -6.206 -4.854 -1.793) 8.080 1.094 ( 6.206 -4.854 -1.793) 8.080 1.169 ( -8.263 -6.016 -3.907) 10.942 1.169 ( 8.263 -6.016 -3.907) 10.942 1.449 ( -2.501 1.940 5.286) 6.161 1.449 ( 2.501 1.940 5.286) 6.161 1.539 ( -4.585 1.686 1.522) 5.117 1.539 ( 4.585 1.686 1.522) 5.117 1.968 ( -2.441 -3.151 0.401) 4.007 1.968 ( 2.441 -3.151 0.401) 4.007 2.126 ( -2.767 -2.888 -1.052) 4.136 2.126 ( 2.767 -2.888 -1.052) 4.136 2.277 ( -11.888 0.676 1.460) 11.996 2.277 ( 11.888 0.676 1.460) 11.996 2.406 ( -3.979 1.570 -1.750) 4.621 2.406 ( 3.979 1.570 -1.750) 4.621 2.954 ( -2.487 0.797 -1.430) 2.977 2.954 ( 2.487 0.797 -1.430) 2.977 3.022 ( -1.562 5.845 1.561) 6.248 3.022 ( 1.562 5.845 1.561) 6.248 3.059 ( -1.583 6.953 0.239) 7.135 3.059 ( 1.583 6.953 0.239) 7.135 3.231 ( -6.775 -3.875 -1.675) 7.983 3.231 ( 6.775 -3.875 -1.675) 7.983 5.350 ( -11.517 -4.087 2.235) 12.423 5.350 ( 11.517 -4.087 2.235) 12.423 5.629 ( -13.157 -9.637 -1.660) 16.393 5.629 ( 13.157 -9.637 -1.660) 16.393 6.540 ( -7.878 7.317 0.377) 10.758 6.540 ( 7.878 7.317 0.377) 10.758 6.614 ( -8.021 6.508 -0.210) 10.331 6.614 ( 8.021 6.508 -0.210) 10.331 8.195 ( -11.090 -1.005 0.555) 11.149 8.195 ( 11.090 -1.005 0.555) 11.149 8.331 ( -10.483 -3.296 -0.538) 11.003 8.331 ( 10.483 -3.296 -0.538) 11.003 10.306 ( -12.606 2.521 0.182) 12.856 10.306 ( 12.606 2.521 0.182) 12.856 10.330 ( -12.947 3.055 -0.545) 13.313 10.330 ( 12.947 3.055 -0.545) 13.313 10.597 ( -1.168 -0.343 1.674) 2.070 10.597 ( 1.168 -0.343 1.674) 2.070 10.697 ( -3.111 -1.144 -1.400) 3.598 10.697 ( 3.111 -1.144 -1.400) 3.598 15.824 ( -25.864 -0.745 0.168) 25.876 15.824 ( 25.864 -0.745 0.168) 25.876 15.834 ( -25.856 -1.121 -0.207) 25.881 15.834 ( 25.856 -1.121 -0.207) 25.881 21.250 ( -17.192 -1.624 2.961) 17.520 21.250 ( 17.192 -1.624 2.961) 17.520 21.415 ( -12.501 -5.455 -3.518) 14.086 21.415 ( 12.501 -5.455 -3.518) 14.086 24.685 ( -10.303 -0.860 1.687) 10.476 24.685 ( 10.303 -0.860 1.687) 10.476 24.878 ( -7.647 -4.938 -1.233) 9.186 24.878 ( 7.647 -4.938 -1.233) 9.186 26.748 ( -4.737 3.940 0.409) 6.175 26.748 ( 4.737 3.940 0.409) 6.175 26.778 ( -4.726 3.728 -0.324) 6.028 26.778 ( 4.726 3.728 -0.324) 6.028 ======================= Grid point 132 (49/90) ======================= q-point: ( 0.00 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.525 ( 0.000 2.978 -6.777) 7.402 0.738 ( 0.000 -6.427 -14.789) 16.125 1.111 ( 0.000 -3.024 0.830) 3.136 1.161 ( 0.000 -3.429 1.621) 3.793 1.177 ( 0.000 -2.791 4.185) 5.030 1.181 ( 0.000 -3.997 3.203) 5.123 1.393 ( 0.000 7.967 0.089) 7.967 1.423 ( 0.000 7.255 -2.639) 7.720 1.642 ( 0.000 13.190 2.520) 13.429 1.772 ( 0.000 14.374 -0.175) 14.375 1.863 ( 0.000 2.466 -5.191) 5.747 1.876 ( 0.000 5.748 -3.117) 6.539 2.163 ( 0.000 6.430 2.499) 6.898 2.268 ( 0.000 3.547 -2.752) 4.490 2.559 ( 0.000 -0.153 3.672) 3.676 2.574 ( 0.000 -2.037 1.645) 2.618 2.638 ( 0.000 -2.917 0.255) 2.928 2.678 ( 0.000 -2.271 -0.041) 2.271 2.881 ( 0.000 3.988 0.964) 4.103 2.909 ( 0.000 2.998 -0.159) 3.002 3.257 ( 0.000 4.348 0.291) 4.358 3.285 ( 0.000 5.303 -1.424) 5.491 3.460 ( 0.000 4.569 8.560) 9.703 3.783 ( 0.000 -0.428 2.450) 2.487 3.882 ( 0.000 -9.243 -7.057) 11.629 3.961 ( 0.000 -5.380 -2.849) 6.088 5.677 ( 0.000 -0.571 0.234) 0.617 5.711 ( 0.000 -2.024 -1.181) 2.343 5.790 ( 0.000 1.396 0.564) 1.505 5.799 ( 0.000 0.894 0.298) 0.942 7.306 ( 0.000 0.111 -0.122) 0.165 7.368 ( 0.000 -3.400 -2.292) 4.101 7.859 ( 0.000 -0.021 0.737) 0.737 7.860 ( 0.000 -0.243 0.857) 0.890 8.288 ( 0.000 -0.341 1.109) 1.160 8.318 ( 0.000 -1.661 0.140) 1.667 8.765 ( 0.000 0.714 1.228) 1.420 8.792 ( 0.000 -0.020 0.111) 0.112 11.127 ( 0.000 0.606 0.047) 0.608 11.139 ( 0.000 0.371 -0.406) 0.550 11.920 ( 0.000 -0.330 0.624) 0.705 11.923 ( 0.000 -0.580 0.615) 0.845 12.217 ( 0.000 0.232 -0.065) 0.242 12.222 ( 0.000 0.189 -0.302) 0.357 13.172 ( 0.000 0.253 -0.064) 0.261 13.196 ( 0.000 -1.072 -0.915) 1.409 17.809 ( 0.000 -0.168 0.133) 0.214 17.815 ( 0.000 -0.386 -0.091) 0.396 18.950 ( 0.000 0.034 0.004) 0.034 18.951 ( 0.000 0.018 -0.012) 0.022 21.481 ( 0.000 -0.220 0.237) 0.323 21.492 ( 0.000 -0.750 -0.224) 0.782 23.563 ( 0.000 -3.412 8.811) 9.449 23.964 ( 0.000 -22.823 -7.244) 23.945 24.963 ( 0.000 -0.362 0.103) 0.376 24.967 ( 0.000 -0.762 -0.030) 0.763 26.999 ( 0.000 7.956 0.266) 7.960 27.046 ( 0.000 6.315 -1.880) 6.589 28.086 ( 0.000 16.526 8.807) 18.727 28.520 ( 0.000 -4.228 -8.825) 9.786 ======================= Grid point 133 (50/90) ======================= q-point: ( 0.10 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.612 ( 7.855 1.912 -3.770) 8.920 0.767 ( 3.173 -5.707 -11.358) 13.101 1.107 ( -4.038 5.261 3.614) 7.553 1.142 ( -0.501 2.905 2.255) 3.711 1.208 ( 2.192 -3.712 3.723) 5.696 1.236 ( 4.052 -2.239 -0.357) 4.643 1.309 ( -0.186 0.161 1.405) 1.426 1.420 ( -1.453 2.699 -3.992) 5.033 1.666 ( 2.325 11.821 1.669) 12.162 1.854 ( 1.323 4.892 -6.414) 8.175 1.915 ( 8.540 8.330 -0.052) 11.930 1.969 ( 6.958 5.541 -1.588) 9.036 2.154 ( -1.148 6.390 1.609) 6.689 2.222 ( -4.711 3.256 -2.075) 6.091 2.557 ( 0.027 -0.131 3.525) 3.528 2.594 ( 0.746 -1.890 2.163) 2.968 2.829 ( 7.963 -1.469 -0.501) 8.113 2.841 ( 12.554 -1.972 -0.891) 12.739 2.884 ( 8.573 -0.033 1.346) 8.678 2.900 ( 2.991 2.064 0.447) 3.662 3.270 ( 1.010 5.312 0.480) 5.429 3.299 ( 0.615 6.766 -1.071) 6.878 3.442 ( -1.421 3.493 6.657) 7.651 3.729 ( -10.808 -5.911 -1.525) 12.413 3.799 ( 1.443 1.136 -0.936) 2.061 3.952 ( -1.268 -6.261 -3.707) 7.386 5.769 ( 6.447 0.422 0.582) 6.487 5.786 ( 0.465 0.682 0.887) 1.212 5.796 ( 1.599 -0.474 -0.372) 1.709 5.830 ( 9.003 -1.733 -1.020) 9.225 7.308 ( 0.792 0.479 0.775) 1.208 7.398 ( 2.678 -4.166 -2.717) 5.648 7.684 ( -13.911 0.025 0.622) 13.925 7.692 ( -13.586 -0.372 0.313) 13.595 8.308 ( 1.960 -0.332 1.256) 2.351 8.339 ( 2.120 -1.724 0.192) 2.739 8.953 ( 15.305 1.137 0.942) 15.376 8.976 ( 15.006 0.475 0.007) 15.014 11.092 ( -3.217 0.980 0.147) 3.366 11.108 ( -2.971 0.437 -0.491) 3.043 11.809 ( -10.470 -0.211 0.546) 10.486 11.812 ( -10.372 -0.396 0.375) 10.387 11.988 ( -18.554 0.350 0.213) 18.558 12.023 ( -16.333 -1.437 -1.125) 16.434 13.437 ( 22.594 0.607 0.725) 22.614 13.482 ( 23.144 -1.494 -1.048) 23.216 17.675 ( -12.391 -0.066 0.180) 12.393 17.682 ( -12.241 -0.394 -0.122) 12.247 19.168 ( 19.639 -0.236 0.900) 19.661 19.227 ( 24.329 -3.827 -1.500) 24.674 21.548 ( 5.692 -0.144 0.348) 5.704 21.564 ( 6.032 -0.910 -0.302) 6.108 23.606 ( 4.339 -3.036 8.076) 9.658 23.976 ( 1.423 -20.941 -6.715) 22.038 24.966 ( 0.310 -0.287 0.282) 0.508 24.978 ( 0.984 -1.083 -0.200) 1.477 26.965 ( -3.078 7.241 0.190) 7.870 27.003 ( -3.913 6.009 -1.530) 7.332 27.965 ( -10.991 15.317 7.450) 20.271 28.325 ( -17.399 -1.136 -7.081) 18.819 ======================= Grid point 134 (51/90) ======================= q-point: ( 0.20 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( 6.897 1.808 1.564) 7.300 0.870 ( 5.352 -3.148 -3.014) 6.902 0.989 ( -1.822 9.049 2.910) 9.678 1.155 ( 2.521 3.420 -3.342) 5.405 1.259 ( 3.075 -1.288 2.319) 4.061 1.306 ( 3.306 0.481 1.518) 3.670 1.404 ( 1.732 -3.234 -0.494) 3.702 1.434 ( 7.100 -6.561 0.388) 9.675 1.738 ( 4.589 8.699 -0.494) 9.847 1.859 ( -1.285 4.628 -6.426) 8.023 2.008 ( -4.689 3.038 1.684) 5.835 2.032 ( -4.154 5.507 0.347) 6.906 2.135 ( 2.736 0.890 -0.157) 2.882 2.202 ( 6.441 2.887 -2.670) 7.546 2.572 ( 1.627 0.287 3.113) 3.524 2.624 ( 2.475 -2.152 1.190) 3.489 2.798 ( -2.816 4.288 0.430) 5.148 2.848 ( -1.883 2.403 -1.255) 3.301 3.200 ( 9.385 -3.128 0.537) 9.907 3.225 ( 6.174 -0.882 -0.721) 6.278 3.286 ( 0.269 5.684 1.316) 5.841 3.320 ( 6.005 2.335 0.414) 6.456 3.409 ( -2.036 2.483 1.631) 3.601 3.485 ( -11.004 0.155 -0.910) 11.043 3.963 ( 16.525 -0.235 0.109) 16.527 4.018 ( 12.860 -2.408 -1.603) 13.181 5.736 ( -3.044 -0.561 1.320) 3.365 5.805 ( -0.150 -3.713 -1.625) 4.055 5.996 ( 12.130 2.810 1.724) 12.570 6.067 ( 12.203 0.138 -1.197) 12.262 7.342 ( -4.860 0.145 0.095) 4.863 7.371 ( -12.752 -0.348 -0.374) 12.762 7.398 ( -6.433 0.444 1.745) 6.681 7.490 ( 4.877 -4.658 -2.200) 7.094 8.366 ( 3.348 -0.162 1.246) 3.576 8.403 ( 3.834 -1.866 -0.209) 4.269 9.316 ( 18.541 1.692 0.529) 18.625 9.333 ( 18.266 1.182 -0.134) 18.304 10.996 ( -6.003 1.453 0.209) 6.180 11.015 ( -5.966 0.782 -0.526) 6.040 11.503 ( -18.282 0.060 0.375) 18.286 11.510 ( -18.115 -0.161 -0.078) 18.116 11.557 ( -21.599 0.280 0.910) 21.620 11.621 ( -21.029 -2.393 -1.557) 21.222 14.001 ( 29.771 -0.317 0.724) 29.781 14.039 ( 28.934 -1.689 -0.800) 28.994 17.328 ( -20.134 0.078 0.241) 20.135 17.338 ( -20.085 -0.377 -0.155) 20.089 19.689 ( 28.419 -0.579 2.360) 28.523 19.835 ( 31.209 -8.827 -3.495) 32.621 21.665 ( 4.174 -0.178 0.526) 4.210 21.688 ( 4.519 -1.264 -0.406) 4.710 23.757 ( 10.401 -2.057 6.140) 12.251 24.045 ( 5.787 -16.018 -5.355) 17.853 24.974 ( 0.329 -0.212 0.637) 0.747 25.003 ( 1.160 -1.748 -0.501) 2.157 26.882 ( -4.491 5.437 0.018) 7.052 26.900 ( -5.547 5.075 -0.768) 7.558 27.666 ( -16.649 12.042 4.608) 21.058 27.879 ( -23.498 3.292 -3.892) 24.044 ======================= Grid point 135 (52/90) ======================= q-point: ( 0.30 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( 0.974 4.214 -1.423) 4.553 0.897 ( -0.048 1.944 -1.777) 2.634 1.125 ( 6.985 -0.680 6.048) 9.264 1.273 ( 8.036 0.678 -0.966) 8.122 1.330 ( 1.461 -2.978 -0.667) 3.383 1.431 ( 10.148 -4.664 1.125) 11.225 1.448 ( 4.450 -1.232 0.954) 4.715 1.544 ( 1.601 -6.527 -0.064) 6.721 1.747 ( -7.710 3.655 1.474) 8.659 1.828 ( -2.880 2.270 -2.611) 4.501 1.887 ( 1.393 2.575 0.424) 2.958 1.955 ( -0.425 1.709 -0.862) 1.961 2.214 ( 2.476 2.763 0.038) 3.710 2.313 ( 3.426 -0.474 -4.323) 5.536 2.613 ( 0.984 2.824 3.581) 4.665 2.702 ( 4.984 -1.276 0.569) 5.176 2.734 ( -4.061 3.124 -0.212) 5.128 2.813 ( -0.232 0.084 -2.072) 2.087 3.208 ( -2.262 6.133 0.717) 6.576 3.229 ( -1.925 4.850 -0.442) 5.236 3.261 ( -5.137 1.124 1.371) 5.434 3.311 ( -4.640 1.752 1.112) 5.083 3.336 ( -4.375 1.535 -1.294) 4.813 3.374 ( -3.205 -3.851 -0.986) 5.106 4.440 ( 26.640 0.315 1.749) 26.699 4.512 ( 28.242 -3.159 -1.192) 28.443 5.654 ( -4.988 -1.642 2.082) 5.649 5.774 ( -3.192 -7.094 -2.813) 8.272 6.254 ( 12.210 5.077 1.539) 13.313 6.311 ( 11.009 3.110 -0.823) 11.470 7.079 ( -12.093 1.568 0.256) 12.196 7.099 ( -11.757 0.727 -0.500) 11.790 7.541 ( 11.519 -0.258 2.158) 11.722 7.650 ( 10.373 -4.856 -2.188) 11.661 8.428 ( 1.964 -0.015 1.242) 2.324 8.477 ( 2.473 -2.191 -0.692) 3.375 9.700 ( 18.075 2.080 0.235) 18.196 9.713 ( 17.943 1.702 -0.242) 18.026 10.840 ( -9.116 1.758 0.175) 9.285 10.860 ( -9.013 1.143 -0.591) 9.104 11.090 ( -20.113 0.303 0.501) 20.122 11.099 ( -19.750 0.398 -0.149) 19.754 11.123 ( -19.750 -0.421 1.170) 19.789 11.191 ( -19.407 -2.492 -1.512) 19.625 14.629 ( 30.000 -0.901 0.388) 30.016 14.650 ( 29.296 -1.497 -0.457) 29.338 16.866 ( -23.749 0.064 0.223) 23.750 16.875 ( -23.884 -0.361 -0.135) 23.887 20.282 ( 27.430 -0.598 2.844) 27.584 20.447 ( 26.732 -9.328 -3.744) 28.559 21.680 ( -3.155 -0.332 0.662) 3.241 21.711 ( -2.799 -1.754 -0.546) 3.349 24.035 ( 15.747 -0.951 3.933) 16.258 24.228 ( 11.613 -10.255 -3.763) 15.944 24.966 ( -1.613 -0.162 1.018) 1.914 25.011 ( -0.862 -2.384 -0.785) 2.654 26.794 ( -3.848 3.725 -0.068) 5.356 26.798 ( -3.382 3.395 -0.182) 4.795 27.315 ( -16.305 7.916 2.185) 18.256 27.411 ( -20.445 4.431 -1.639) 20.984 ======================= Grid point 136 (53/90) ======================= q-point: ( 0.40 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( 3.579 -0.401 -3.721) 5.178 0.924 ( 3.586 -1.414 -5.713) 6.891 1.147 ( -4.137 -1.662 0.562) 4.494 1.244 ( -9.017 -5.897 -3.028) 11.192 1.416 ( 4.694 0.373 6.488) 8.017 1.483 ( -0.218 -1.226 2.427) 2.728 1.567 ( -4.401 0.994 6.770) 8.136 1.628 ( 4.105 -1.888 1.907) 4.904 1.743 ( 3.550 -1.858 1.160) 4.171 1.799 ( 15.448 -4.098 -1.814) 16.085 1.963 ( 2.679 1.333 -1.090) 3.185 2.021 ( 4.806 0.001 -2.848) 5.586 2.234 ( 0.060 3.791 0.339) 3.807 2.352 ( 1.060 -1.206 -4.817) 5.077 2.553 ( -7.029 2.754 1.768) 7.754 2.584 ( -10.136 1.178 0.103) 10.205 2.823 ( 6.597 -0.286 0.863) 6.660 2.888 ( 6.312 -1.493 -1.892) 6.756 3.141 ( -5.239 -0.198 2.418) 5.773 3.166 ( -3.466 4.599 0.651) 5.796 3.194 ( -0.985 5.711 -0.532) 5.820 3.223 ( -2.920 4.119 0.935) 5.135 3.249 ( -3.484 1.825 -1.773) 4.314 3.276 ( -4.905 -2.202 -1.242) 5.518 4.951 ( 21.024 -0.483 2.137) 21.138 5.050 ( 22.119 -4.990 -1.901) 22.755 5.523 ( -7.698 -2.254 2.600) 8.432 5.661 ( -7.905 -8.275 -2.890) 11.803 6.490 ( 10.151 5.717 0.885) 11.684 6.525 ( 9.607 4.403 -0.513) 10.580 6.859 ( -9.203 3.299 0.646) 9.798 6.889 ( -8.746 2.048 -0.519) 8.998 7.844 ( 16.911 -0.380 1.519) 16.983 7.923 ( 15.488 -3.691 -1.612) 16.003 8.407 ( -5.042 -0.032 1.272) 5.200 8.463 ( -4.902 -2.477 -0.949) 5.574 10.057 ( 15.968 2.313 0.150) 16.135 10.070 ( 16.233 1.922 -0.387) 16.351 10.616 ( -12.028 1.687 -0.041) 12.145 10.636 ( -12.018 0.986 -1.105) 12.109 10.735 ( -12.657 0.644 1.394) 12.750 10.751 ( -12.634 0.828 0.044) 12.661 10.773 ( -12.488 -0.819 1.111) 12.564 10.845 ( -13.249 -2.182 -1.465) 13.507 15.237 ( 28.381 -0.851 0.181) 28.394 15.247 ( 27.985 -1.120 -0.219) 28.008 16.353 ( -25.404 -0.165 0.133) 25.405 16.358 ( -25.594 -0.454 -0.077) 25.598 20.807 ( 22.831 -0.422 2.357) 22.956 20.937 ( 20.563 -6.977 -2.829) 21.898 21.530 ( -11.158 -0.393 0.886) 11.200 21.575 ( -9.940 -2.536 -0.891) 10.297 24.379 ( 16.407 -0.155 2.366) 16.577 24.502 ( 13.814 -5.927 -2.565) 15.249 24.887 ( -6.363 -0.168 1.411) 6.519 24.948 ( -5.549 -3.001 -1.055) 6.396 26.753 ( 0.364 2.699 0.259) 2.735 26.766 ( 0.687 2.026 -0.259) 2.155 27.014 ( -12.144 4.496 0.877) 12.979 27.052 ( -13.790 3.287 -0.611) 14.189 ======================= Grid point 137 (54/90) ======================= q-point: (-0.50 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( -7.222 -3.115 -3.915) 8.786 1.005 ( 7.222 -3.115 -3.915) 8.786 1.052 ( -8.109 -4.830 -5.298) 10.824 1.052 ( 8.109 -4.830 -5.298) 10.824 1.483 ( -2.887 1.482 6.975) 7.693 1.483 ( 2.887 1.482 6.975) 7.693 1.552 ( -5.229 -0.651 5.399) 7.545 1.552 ( 5.229 -0.651 5.399) 7.545 1.927 ( -5.859 0.236 -0.612) 5.896 1.927 ( 5.859 0.236 -0.612) 5.896 2.067 ( -3.143 -3.615 -3.305) 5.820 2.067 ( 3.143 -3.615 -3.305) 5.820 2.311 ( -10.711 2.702 1.446) 11.141 2.311 ( 10.711 2.702 1.446) 11.141 2.415 ( -5.603 -0.807 -2.123) 6.046 2.415 ( 5.603 -0.807 -2.123) 6.046 2.960 ( -4.525 1.085 -0.273) 4.661 2.960 ( 4.525 1.085 -0.273) 4.661 3.074 ( -3.679 -2.395 1.933) 4.797 3.074 ( 3.679 -2.395 1.933) 4.797 3.193 ( -0.694 5.013 -0.379) 5.075 3.193 ( 0.694 5.013 -0.379) 5.075 3.215 ( -0.630 2.820 -1.277) 3.160 3.215 ( 0.630 2.820 -1.277) 3.160 5.293 ( -10.812 -0.937 1.078) 10.906 5.293 ( 10.812 -0.937 1.078) 10.906 5.444 ( -11.878 -7.733 -1.121) 14.218 5.444 ( 11.878 -7.733 -1.121) 14.218 6.674 ( -6.382 5.154 0.248) 8.207 6.674 ( 6.382 5.154 0.248) 8.207 6.719 ( -6.433 3.243 -0.016) 7.204 6.719 ( 6.433 3.243 -0.016) 7.204 8.185 ( -11.575 0.251 0.341) 11.583 8.185 ( 11.575 0.251 0.341) 11.583 8.262 ( -11.169 -3.122 -0.281) 11.600 8.262 ( 11.169 -3.122 -0.281) 11.600 10.357 ( -11.797 2.213 0.073) 12.003 10.357 ( 11.797 2.213 0.073) 12.003 10.382 ( -12.166 1.632 -0.664) 12.293 10.382 ( 12.166 1.632 -0.664) 12.293 10.599 ( -0.782 0.703 1.176) 1.578 10.599 ( 0.782 0.703 1.176) 1.578 10.666 ( -2.692 -1.741 -0.699) 3.281 10.666 ( 2.692 -1.741 -0.699) 3.281 15.810 ( -26.631 -0.524 0.088) 26.636 15.810 ( 26.631 -0.524 0.088) 26.636 15.815 ( -26.480 -0.726 -0.078) 26.490 15.815 ( 26.480 -0.726 -0.078) 26.490 21.228 ( -17.543 -0.327 1.525) 17.612 21.228 ( 17.543 -0.327 1.525) 17.612 21.310 ( -15.332 -4.311 -1.710) 16.018 21.310 ( 15.332 -4.311 -1.710) 16.018 24.679 ( -10.579 0.436 0.847) 10.622 24.679 ( 10.579 0.436 0.847) 10.622 24.779 ( -9.195 -4.288 -0.795) 10.176 24.779 ( 9.195 -4.288 -0.795) 10.176 26.821 ( -6.002 2.787 0.379) 6.629 26.821 ( 6.002 2.787 0.379) 6.629 26.840 ( -6.381 2.019 -0.271) 6.698 26.840 ( 6.381 2.019 -0.271) 6.698 ======================= Grid point 143 (55/90) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.611 ( 0.000 -5.285 -13.362) 14.369 0.611 ( 0.000 5.285 -13.362) 14.369 1.071 ( 0.000 -1.220 -0.053) 1.222 1.071 ( 0.000 1.220 -0.053) 1.222 1.163 ( 0.000 -0.246 5.514) 5.519 1.163 ( 0.000 0.246 5.514) 5.519 1.500 ( 0.000 -0.746 -1.584) 1.751 1.500 ( 0.000 0.746 -1.584) 1.751 1.834 ( 0.000 -5.207 -0.776) 5.265 1.834 ( 0.000 5.207 -0.776) 5.265 1.933 ( 0.000 -1.393 -0.443) 1.462 1.933 ( 0.000 1.393 -0.443) 1.462 2.266 ( 0.000 -2.984 -0.839) 3.099 2.266 ( 0.000 2.984 -0.839) 3.099 2.556 ( 0.000 -0.197 2.808) 2.815 2.556 ( 0.000 0.197 2.808) 2.815 2.629 ( 0.000 -2.113 -0.651) 2.211 2.629 ( 0.000 2.113 -0.651) 2.211 2.936 ( 0.000 -0.775 0.691) 1.038 2.936 ( 0.000 0.775 0.691) 1.038 3.327 ( 0.000 -1.583 0.394) 1.632 3.327 ( 0.000 1.583 0.394) 1.632 3.619 ( 0.000 -10.755 2.724) 11.094 3.619 ( 0.000 10.755 2.724) 11.094 3.859 ( 0.000 -3.778 -3.137) 4.910 3.859 ( 0.000 3.778 -3.137) 4.910 5.680 ( 0.000 -0.840 -0.440) 0.948 5.680 ( 0.000 0.840 -0.440) 0.948 5.808 ( 0.000 -0.203 0.380) 0.430 5.808 ( 0.000 0.203 0.380) 0.430 7.320 ( 0.000 -1.331 -1.063) 1.704 7.320 ( 0.000 1.331 -1.063) 1.704 7.858 ( 0.000 -0.001 0.873) 0.873 7.858 ( 0.000 0.001 0.873) 0.873 8.292 ( 0.000 -0.735 0.364) 0.820 8.292 ( 0.000 0.735 0.364) 0.820 8.782 ( 0.000 -0.803 0.517) 0.955 8.782 ( 0.000 0.803 0.517) 0.955 11.138 ( 0.000 -0.361 -0.190) 0.408 11.138 ( 0.000 0.361 -0.190) 0.408 11.917 ( 0.000 -0.026 0.472) 0.472 11.917 ( 0.000 0.026 0.472) 0.472 12.223 ( 0.000 -0.172 -0.111) 0.205 12.223 ( 0.000 0.172 -0.111) 0.205 13.180 ( 0.000 -0.513 -0.377) 0.636 13.180 ( 0.000 0.513 -0.377) 0.636 17.809 ( 0.000 -0.150 0.025) 0.152 17.809 ( 0.000 0.150 0.025) 0.152 18.951 ( 0.000 -0.009 -0.003) 0.010 18.951 ( 0.000 0.009 -0.003) 0.010 21.481 ( 0.000 -0.290 -0.006) 0.290 21.481 ( 0.000 0.290 -0.006) 0.290 23.625 ( 0.000 -9.555 -0.206) 9.557 23.625 ( 0.000 9.555 -0.206) 9.557 24.959 ( 0.000 -0.032 -0.001) 0.032 24.959 ( 0.000 0.032 -0.001) 0.032 27.100 ( 0.000 -1.317 -0.504) 1.410 27.100 ( 0.000 1.317 -0.504) 1.410 28.366 ( 0.000 -10.447 0.518) 10.460 28.366 ( 0.000 10.447 0.518) 10.460 ======================= Grid point 145 (56/90) ======================= q-point: ( 0.10 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.670 ( 5.515 -3.610 -9.511) 11.572 0.670 ( 5.515 3.610 -9.511) 11.572 1.142 ( 5.385 -1.855 0.799) 5.752 1.142 ( 5.385 1.855 0.799) 5.752 1.178 ( 1.701 -0.877 5.425) 5.753 1.178 ( 1.701 0.877 5.425) 5.753 1.419 ( -6.117 -3.862 -2.181) 7.556 1.419 ( -6.117 3.862 -2.181) 7.556 1.844 ( 1.153 -4.875 -1.480) 5.224 1.844 ( 1.153 4.875 -1.480) 5.224 2.022 ( 6.896 -1.253 0.296) 7.015 2.022 ( 6.896 1.253 0.296) 7.015 2.241 ( -4.362 -1.434 -1.856) 4.952 2.241 ( -4.362 1.434 -1.856) 4.952 2.563 ( 0.312 -0.903 2.621) 2.790 2.563 ( 0.312 0.903 2.621) 2.790 2.793 ( 14.998 -0.745 -0.862) 15.041 2.793 ( 14.998 0.745 -0.862) 15.041 2.922 ( 0.036 -0.821 0.950) 1.256 2.922 ( 0.036 0.821 0.950) 1.256 3.356 ( 2.206 -1.965 0.481) 2.993 3.356 ( 2.206 1.965 0.481) 2.993 3.565 ( -4.891 -8.555 1.863) 10.029 3.565 ( -4.891 8.555 1.863) 10.029 3.848 ( 0.179 -3.659 -2.146) 4.246 3.848 ( 0.179 3.659 -2.146) 4.246 5.782 ( 4.538 -0.798 -0.364) 4.622 5.782 ( 4.538 0.798 -0.364) 4.622 5.802 ( 3.949 -0.924 0.416) 4.077 5.802 ( 3.949 0.924 0.416) 4.077 7.334 ( 1.542 -2.085 -0.962) 2.766 7.334 ( 1.542 2.085 -0.962) 2.766 7.686 ( -13.726 -0.200 0.507) 13.737 7.686 ( -13.726 0.200 0.507) 13.737 8.312 ( 2.041 -0.760 0.537) 2.243 8.312 ( 2.041 0.760 0.537) 2.243 8.973 ( 15.509 -0.671 0.382) 15.528 8.973 ( 15.509 0.671 0.382) 15.528 11.108 ( -2.889 -0.443 -0.190) 2.928 11.108 ( -2.889 0.443 -0.190) 2.928 11.808 ( -10.299 -0.061 0.426) 10.308 11.808 ( -10.299 0.061 0.426) 10.308 12.000 ( -17.891 -0.806 -0.266) 17.911 12.000 ( -17.891 0.806 -0.266) 17.911 13.455 ( 22.693 -1.103 -0.182) 22.721 13.455 ( 22.693 1.103 -0.182) 22.721 17.676 ( -12.274 -0.194 0.031) 12.276 17.676 ( -12.274 0.194 0.031) 12.276 19.177 ( 20.391 -1.237 -0.041) 20.428 19.177 ( 20.391 1.237 -0.041) 20.428 21.550 ( 5.809 -0.405 -0.005) 5.823 21.550 ( 5.809 0.405 -0.005) 5.823 23.664 ( 3.983 -8.806 -0.216) 9.668 23.664 ( 3.983 8.806 -0.216) 9.668 24.965 ( 0.533 -0.242 0.011) 0.586 24.965 ( 0.533 0.242 0.011) 0.586 27.056 ( -4.014 -1.081 -0.436) 4.180 27.056 ( -4.014 1.081 -0.436) 4.180 28.217 ( -13.562 -8.814 0.515) 16.183 28.217 ( -13.562 8.814 0.515) 16.183 ======================= Grid point 147 (57/90) ======================= q-point: ( 0.20 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.821 ( 7.937 -1.506 -1.508) 8.218 0.821 ( 7.937 1.506 -1.508) 8.218 1.154 ( -1.599 -4.907 3.889) 6.462 1.154 ( -1.599 4.907 3.889) 6.462 1.292 ( 3.510 -5.055 -0.903) 6.219 1.292 ( 3.510 5.055 -0.903) 6.219 1.348 ( 2.918 -3.207 -0.321) 4.348 1.348 ( 2.918 3.207 -0.321) 4.348 1.874 ( 1.415 -3.576 -2.489) 4.581 1.874 ( 1.415 3.576 -2.489) 4.581 2.059 ( -8.812 -2.207 -0.336) 9.090 2.059 ( -8.812 2.207 -0.336) 9.090 2.189 ( 5.076 -3.554 -1.046) 6.284 2.189 ( 5.076 3.554 -1.046) 6.284 2.586 ( 2.318 -1.238 2.160) 3.402 2.586 ( 2.318 1.238 2.160) 3.402 2.858 ( -2.375 -1.309 -0.759) 2.816 2.858 ( -2.375 1.309 -0.759) 2.816 3.165 ( 11.162 -1.145 -0.006) 11.220 3.165 ( 11.162 1.145 -0.006) 11.220 3.391 ( 0.419 -2.675 0.705) 2.798 3.391 ( 0.419 2.675 0.705) 2.798 3.443 ( -6.082 -4.040 0.246) 7.306 3.443 ( -6.082 4.040 0.246) 7.306 3.976 ( 15.491 -1.420 -0.212) 15.557 3.976 ( 15.491 1.420 -0.212) 15.557 5.747 ( -2.960 -1.690 -0.150) 3.411 5.747 ( -2.960 1.690 -0.150) 3.411 6.047 ( 13.623 -1.874 0.265) 13.753 6.047 ( 13.623 1.874 0.265) 13.753 7.357 ( -9.080 -0.988 -1.174) 9.208 7.357 ( -9.080 0.988 -1.174) 9.208 7.420 ( -0.414 -1.999 0.687) 2.154 7.420 ( -0.414 1.999 0.687) 2.154 8.373 ( 3.569 -0.930 0.425) 3.712 8.373 ( 3.569 0.930 0.425) 3.712 9.340 ( 18.697 -0.487 0.158) 18.704 9.340 ( 18.697 0.487 0.158) 18.704 11.018 ( -5.756 -0.509 -0.182) 5.781 11.018 ( -5.756 0.509 -0.182) 5.781 11.506 ( -18.023 -0.193 0.356) 18.027 11.506 ( -18.023 0.193 0.356) 18.027 11.577 ( -21.538 -1.621 -0.331) 21.601 11.577 ( -21.538 1.621 -0.331) 21.601 14.010 ( 29.092 -1.043 -0.042) 29.111 14.010 ( 29.092 1.043 -0.042) 29.111 17.331 ( -20.080 -0.248 0.043) 20.082 17.331 ( -20.080 0.248 0.043) 20.082 19.714 ( 28.989 -3.182 -0.078) 29.164 19.714 ( 28.989 3.182 -0.078) 29.164 21.669 ( 4.199 -0.581 -0.008) 4.239 21.669 ( 4.199 0.581 -0.008) 4.239 23.805 ( 9.847 -6.856 -0.233) 12.001 23.805 ( 9.847 6.856 -0.233) 12.001 24.978 ( 0.586 -0.645 0.039) 0.872 24.978 ( 0.586 0.645 0.039) 0.872 26.948 ( -5.879 -0.545 -0.271) 5.910 26.948 ( -5.879 0.545 -0.271) 5.910 27.851 ( -20.272 -5.434 0.443) 20.993 27.851 ( -20.272 5.434 0.443) 20.993 ======================= Grid point 149 (58/90) ======================= q-point: ( 0.30 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( 0.008 -1.325 0.745) 1.520 0.911 ( 0.008 1.325 0.745) 1.520 1.190 ( 4.052 -6.654 3.332) 8.473 1.190 ( 4.052 6.654 3.332) 8.473 1.349 ( 4.889 -4.526 -3.417) 7.488 1.349 ( 4.889 4.526 -3.417) 7.488 1.448 ( 4.335 -2.075 1.375) 4.999 1.448 ( 4.335 2.075 1.375) 4.999 1.817 ( -8.284 -2.616 0.584) 8.707 1.817 ( -8.284 2.616 0.584) 8.707 1.948 ( 1.587 -2.263 -1.496) 3.143 1.948 ( 1.587 2.263 -1.496) 3.143 2.276 ( 2.669 -2.741 -1.953) 4.296 2.276 ( 2.669 2.741 -1.953) 4.296 2.656 ( 3.157 -1.963 3.189) 4.898 2.656 ( 3.157 1.963 3.189) 4.898 2.799 ( -2.673 -1.852 -1.773) 3.704 2.799 ( -2.673 1.852 -1.773) 3.704 3.240 ( -1.439 -1.923 -0.092) 2.404 3.240 ( -1.439 1.923 -0.092) 2.404 3.326 ( -4.672 -1.208 -0.280) 4.833 3.326 ( -4.672 1.208 -0.280) 4.833 3.359 ( -3.499 -1.709 0.189) 3.898 3.359 ( -3.499 1.709 0.189) 3.898 4.461 ( 26.814 -1.733 0.587) 26.876 4.461 ( 26.814 1.733 0.587) 26.876 5.666 ( -4.945 -2.992 -0.490) 5.800 5.666 ( -4.945 2.992 -0.490) 5.800 6.327 ( 12.664 -1.584 0.345) 12.767 6.327 ( 12.664 1.584 0.345) 12.767 7.101 ( -11.186 -0.512 -0.181) 11.199 7.101 ( -11.186 0.512 -0.181) 11.199 7.569 ( 10.949 -2.776 -0.026) 11.296 7.569 ( 10.949 2.776 -0.026) 11.296 8.441 ( 2.151 -1.213 0.203) 2.478 8.441 ( 2.151 1.213 0.203) 2.478 9.727 ( 18.197 -0.354 -0.026) 18.201 9.727 ( 18.197 0.354 -0.026) 18.201 10.866 ( -8.977 -0.563 -0.230) 8.998 10.866 ( -8.977 0.563 -0.230) 8.998 11.098 ( -19.858 -0.453 0.490) 19.869 11.098 ( -19.858 0.453 0.490) 19.869 11.141 ( -19.580 -2.032 -0.372) 19.688 11.141 ( -19.580 2.032 -0.372) 19.688 14.627 ( 29.649 -0.625 -0.009) 29.655 14.627 ( 29.649 0.625 -0.009) 29.655 16.869 ( -23.855 -0.221 0.043) 23.856 16.869 ( -23.855 0.221 0.043) 23.856 20.312 ( 27.420 -3.758 -0.061) 27.676 20.312 ( 27.420 3.758 -0.061) 27.676 21.684 ( -3.153 -0.749 -0.021) 3.240 21.684 ( -3.153 0.749 -0.021) 3.240 24.071 ( 15.267 -4.619 -0.219) 15.952 24.071 ( 15.267 4.619 -0.219) 15.952 24.975 ( -1.379 -1.067 0.061) 1.744 24.975 ( -1.379 1.067 0.061) 1.744 26.835 ( -4.443 -0.064 -0.102) 4.445 26.835 ( -4.443 0.064 -0.102) 4.445 27.427 ( -19.421 -2.589 0.285) 19.595 27.427 ( -19.421 2.589 0.285) 19.595 ======================= Grid point 151 (59/90) ======================= q-point: ( 0.40 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( 1.050 -0.953 -4.043) 4.285 0.906 ( 1.050 0.953 -4.043) 4.285 1.148 ( -7.409 -2.486 -2.017) 8.071 1.148 ( -7.409 2.486 -2.017) 8.071 1.435 ( 3.225 -1.985 4.702) 6.038 1.435 ( 3.225 1.985 4.702) 6.038 1.598 ( 1.404 -1.571 3.524) 4.106 1.598 ( 1.404 1.571 3.524) 4.106 1.735 ( 8.345 -1.628 1.465) 8.627 1.735 ( 8.345 1.628 1.465) 8.627 2.005 ( 2.524 -1.789 -3.081) 4.366 2.005 ( 2.524 1.789 -3.081) 4.366 2.308 ( 0.965 -3.004 -2.375) 3.948 2.308 ( 0.965 3.004 -2.375) 3.948 2.584 ( -9.530 -0.703 1.128) 9.622 2.584 ( -9.530 0.703 1.128) 9.622 2.850 ( 6.658 -2.114 0.097) 6.987 2.850 ( 6.658 2.114 0.097) 6.987 3.156 ( -6.246 -2.042 0.387) 6.583 3.156 ( -6.246 2.042 0.387) 6.583 3.259 ( -1.499 -0.780 -0.061) 1.691 3.259 ( -1.499 0.780 -0.061) 1.691 3.285 ( -2.811 -1.176 -0.589) 3.103 3.285 ( -2.811 1.176 -0.589) 3.103 4.971 ( 20.976 -2.450 0.374) 21.122 4.971 ( 20.976 2.450 0.374) 21.122 5.535 ( -7.906 -3.461 -0.524) 8.647 5.535 ( -7.906 3.461 -0.524) 8.647 6.562 ( 9.847 -0.936 0.209) 9.894 6.562 ( 9.847 0.936 0.209) 9.894 6.903 ( -8.198 -0.745 0.028) 8.231 6.903 ( -8.198 0.745 0.028) 8.231 7.862 ( 16.630 -2.013 0.042) 16.752 7.862 ( 16.630 2.013 0.042) 16.752 8.421 ( -5.085 -1.401 0.062) 5.274 8.421 ( -5.085 1.401 0.062) 5.274 10.087 ( 16.155 -0.388 -0.136) 16.160 10.087 ( 16.155 0.388 -0.136) 16.160 10.640 ( -12.074 -0.547 -0.694) 12.106 10.640 ( -12.074 0.547 -0.694) 12.106 10.748 ( -12.402 -0.816 1.275) 12.494 10.748 ( -12.402 0.816 1.275) 12.494 10.796 ( -12.966 -2.383 -0.584) 13.196 10.796 ( -12.966 2.383 -0.584) 13.196 15.231 ( 28.341 -0.302 0.000) 28.342 15.231 ( 28.341 0.302 0.000) 28.342 16.352 ( -25.629 -0.118 0.030) 25.629 16.352 ( -25.629 0.118 0.030) 25.629 20.832 ( 22.444 -3.059 -0.034) 22.652 20.832 ( 22.444 3.059 -0.034) 22.652 21.536 ( -10.848 -1.087 -0.031) 10.902 21.536 ( -10.848 1.087 -0.031) 10.902 24.407 ( 16.133 -2.986 -0.149) 16.407 24.407 ( 16.133 2.986 -0.149) 16.407 24.901 ( -6.206 -1.486 0.042) 6.382 24.901 ( -6.206 1.486 0.042) 6.382 26.785 ( 0.173 -0.304 0.003) 0.350 26.785 ( 0.173 0.304 0.003) 0.350 27.074 ( -13.985 -1.056 0.136) 14.026 27.074 ( -13.985 1.056 0.136) 14.026 ======================= Grid point 153 (60/90) ======================= q-point: (-0.50 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( -6.548 -1.276 -5.417) 8.593 0.984 ( -6.544 1.271 -5.417) 8.590 0.984 ( 6.544 -1.271 -5.417) 8.590 0.984 ( 6.548 1.276 -5.417) 8.593 1.519 ( -4.669 -1.982 7.474) 9.032 1.519 ( -3.342 1.126 7.474) 8.264 1.519 ( 3.342 -1.126 7.474) 8.264 1.519 ( 4.669 1.982 7.474) 9.032 1.980 ( -7.257 -4.105 -2.316) 8.653 1.980 ( 1.489 -2.059 -2.316) 3.438 1.980 ( -1.489 2.059 -2.316) 3.438 1.980 ( 7.257 4.105 -2.316) 8.653 2.374 ( -7.424 -2.847 -0.858) 7.997 2.374 ( -6.145 1.940 -0.858) 6.501 2.374 ( 6.145 -1.940 -0.858) 6.501 2.374 ( 7.424 2.847 -0.858) 7.997 3.006 ( -7.126 -2.717 0.706) 7.659 3.006 ( -4.845 -0.745 0.706) 4.952 3.006 ( 4.845 0.745 0.706) 4.952 3.006 ( 7.126 2.717 0.706) 7.659 3.251 ( -0.480 -0.337 -0.450) 0.740 3.251 ( -0.126 -0.245 -0.450) 0.528 3.251 ( 0.126 0.245 -0.450) 0.528 3.251 ( 0.480 0.337 -0.450) 0.740 5.322 ( -12.775 -3.461 -0.145) 13.236 5.322 ( -11.217 1.622 -0.145) 11.334 5.322 ( 11.217 -1.622 -0.145) 11.334 5.322 ( 12.775 3.461 -0.145) 13.236 6.742 ( -7.666 -0.976 0.130) 7.730 6.742 ( -7.530 0.659 0.130) 7.560 6.742 ( 7.530 -0.659 0.130) 7.560 6.742 ( 7.667 0.977 0.130) 7.730 8.208 ( -14.754 -1.651 0.035) 14.846 8.208 ( -14.588 1.230 0.035) 14.640 8.208 ( 14.588 -1.230 0.035) 14.640 8.208 ( 14.754 1.651 0.035) 14.846 10.390 ( -12.851 -0.698 -0.297) 12.874 10.390 ( -12.844 0.661 -0.297) 12.864 10.390 ( 12.844 -0.661 -0.297) 12.864 10.390 ( 12.851 0.698 -0.297) 12.874 10.627 ( -1.806 -1.823 0.235) 2.576 10.627 ( 1.739 -1.806 0.235) 2.518 10.627 ( -1.739 1.806 0.235) 2.518 10.627 ( 1.806 1.823 0.235) 2.576 15.806 ( -26.893 -0.108 0.013) 26.894 15.806 ( -26.893 0.108 0.013) 26.894 15.806 ( 26.893 -0.108 0.013) 26.894 15.806 ( 26.893 0.108 0.013) 26.894 21.244 ( -17.048 -1.955 -0.029) 17.160 21.244 ( -17.048 1.954 -0.029) 17.159 21.244 ( 17.048 -1.954 -0.029) 17.159 21.244 ( 17.048 1.955 -0.029) 17.160 24.708 ( -12.053 -2.227 -0.041) 12.257 24.708 ( -11.619 1.546 -0.041) 11.721 24.708 ( 11.619 -1.546 -0.041) 11.721 24.708 ( 12.053 2.227 -0.041) 12.257 26.856 ( -6.864 -0.516 0.057) 6.884 26.856 ( -6.861 0.505 0.057) 6.880 26.856 ( 6.861 -0.505 0.057) 6.880 26.856 ( 6.864 0.516 0.057) 6.884 ======================= Grid point 198 (61/90) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.314 ( 0.000 0.000 -6.966) 6.966 0.314 ( 0.000 0.000 6.966) 6.966 0.526 ( 0.000 0.000 -11.198) 11.198 0.526 ( 0.000 0.000 11.198) 11.198 1.000 ( 0.000 0.000 -21.920) 21.920 1.000 ( 0.000 0.000 21.920) 21.920 1.096 ( 0.000 0.000 -7.682) 7.682 1.096 ( 0.000 0.000 7.682) 7.682 1.625 ( 0.000 0.000 -1.769) 1.769 1.625 ( 0.000 0.000 1.769) 1.769 1.704 ( 0.000 0.000 -1.439) 1.439 1.704 ( 0.000 0.000 1.439) 1.439 1.806 ( 0.000 0.000 -5.569) 5.569 1.806 ( 0.000 0.000 5.569) 5.569 2.670 ( 0.000 0.000 -1.144) 1.144 2.670 ( 0.000 0.000 1.144) 1.144 2.765 ( 0.000 0.000 -1.473) 1.473 2.765 ( 0.000 0.000 1.473) 1.473 2.972 ( 0.000 0.000 -1.543) 1.543 2.972 ( 0.000 0.000 1.543) 1.543 3.072 ( 0.000 0.000 -0.272) 0.272 3.072 ( 0.000 0.000 0.272) 0.272 3.245 ( 0.000 0.000 -12.588) 12.588 3.245 ( 0.000 0.000 12.588) 12.588 4.049 ( 0.000 0.000 -5.413) 5.413 4.049 ( 0.000 0.000 5.413) 5.413 5.711 ( 0.000 0.000 -0.675) 0.675 5.711 ( 0.000 0.000 0.675) 0.675 5.789 ( 0.000 0.000 -2.509) 2.509 5.789 ( 0.000 0.000 2.509) 2.509 7.475 ( 0.000 0.000 -7.492) 7.492 7.475 ( 0.000 0.000 7.492) 7.492 7.854 ( 0.000 0.000 -0.672) 0.672 7.854 ( 0.000 0.000 0.672) 0.672 8.467 ( 0.000 0.000 -5.246) 5.246 8.467 ( 0.000 0.000 5.246) 5.246 8.728 ( 0.000 0.000 -0.246) 0.246 8.728 ( 0.000 0.000 0.246) 0.246 11.054 ( 0.000 0.000 -0.376) 0.376 11.054 ( 0.000 0.000 0.376) 0.376 11.975 ( 0.000 0.000 -2.136) 2.136 11.975 ( 0.000 0.000 2.136) 2.136 12.227 ( 0.000 0.000 -0.371) 0.371 12.227 ( 0.000 0.000 0.371) 0.371 13.240 ( 0.000 0.000 -2.926) 2.926 13.240 ( 0.000 0.000 2.926) 2.926 17.836 ( 0.000 0.000 -0.290) 0.290 17.836 ( 0.000 0.000 0.290) 0.290 18.949 ( 0.000 0.000 -0.022) 0.022 18.949 ( 0.000 0.000 0.022) 0.022 21.521 ( 0.000 0.000 -0.976) 0.976 21.521 ( 0.000 0.000 0.976) 0.976 25.024 ( 0.000 0.000 -2.085) 2.085 25.024 ( 0.000 0.000 2.085) 2.085 25.846 ( 0.000 0.000 -3.462) 3.462 25.846 ( 0.000 0.000 3.462) 3.462 26.426 ( 0.000 0.000 -2.999) 2.999 26.426 ( 0.000 0.000 2.999) 2.999 26.803 ( 0.000 0.000 -2.612) 2.612 26.803 ( 0.000 0.000 2.612) 2.612 ======================= Grid point 200 (62/90) ======================= q-point: ( 0.10 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.525 ( 14.799 0.000 -1.634) 14.889 0.525 ( 14.799 0.000 1.634) 14.889 0.737 ( 9.667 0.000 -11.901) 15.333 0.737 ( 9.667 0.000 11.901) 15.333 1.125 ( 15.757 0.000 -15.878) 22.370 1.125 ( 15.757 0.000 15.878) 22.370 1.185 ( 8.435 0.000 -6.016) 10.361 1.185 ( 8.435 0.000 6.016) 10.361 1.585 ( -4.076 0.000 -3.991) 5.705 1.585 ( -4.076 0.000 3.991) 5.705 1.732 ( 3.259 0.000 -3.169) 4.546 1.732 ( 3.259 0.000 3.169) 4.546 1.790 ( -1.517 0.000 -5.365) 5.576 1.790 ( -1.517 0.000 5.365) 5.576 2.620 ( -4.562 0.000 -0.975) 4.665 2.620 ( -4.562 0.000 0.975) 4.665 2.789 ( -0.869 0.000 -1.227) 1.504 2.789 ( -0.869 0.000 1.227) 1.504 2.947 ( -2.485 0.000 -1.604) 2.958 2.947 ( -2.485 0.000 1.604) 2.958 3.066 ( -0.641 0.000 -0.910) 1.113 3.066 ( -0.641 0.000 0.910) 1.113 3.294 ( 12.180 0.000 -13.091) 17.881 3.294 ( 12.180 0.000 13.091) 17.881 4.045 ( -1.624 0.000 -12.661) 12.765 4.045 ( -1.624 0.000 12.661) 12.765 5.800 ( 1.142 0.000 -2.298) 2.566 5.800 ( 1.142 0.000 2.298) 2.566 5.834 ( 8.991 0.000 -0.234) 8.994 5.834 ( 8.991 0.000 0.234) 8.994 7.522 ( 4.158 0.000 -8.121) 9.123 7.522 ( 4.158 0.000 8.121) 9.123 7.691 ( -13.465 0.000 -0.708) 13.484 7.691 ( -13.465 0.000 0.708) 13.484 8.451 ( -0.527 0.000 -3.281) 3.323 8.451 ( -0.527 0.000 3.281) 3.323 8.891 ( 13.472 0.000 -0.172) 13.473 8.891 ( 13.472 0.000 0.172) 13.473 11.019 ( -3.310 0.000 -0.367) 3.331 11.019 ( -3.310 0.000 0.367) 3.331 11.843 ( -11.785 0.000 -0.648) 11.803 11.843 ( -11.785 0.000 0.648) 11.803 12.023 ( -16.585 0.000 -3.981) 17.056 12.023 ( -16.585 0.000 3.981) 17.056 13.558 ( 25.274 0.000 -1.371) 25.311 13.558 ( 25.274 0.000 1.371) 25.311 17.698 ( -12.684 0.000 -0.449) 12.692 17.698 ( -12.684 0.000 0.449) 12.692 19.390 ( 35.229 0.000 -14.394) 38.056 19.390 ( 35.229 0.000 14.394) 38.056 21.595 ( 6.298 0.000 -1.474) 6.469 21.595 ( 6.298 0.000 1.474) 6.469 24.996 ( -3.858 0.000 -1.996) 4.344 24.996 ( -3.858 0.000 1.996) 4.344 25.556 ( -21.303 0.000 -5.331) 21.960 25.556 ( -21.303 0.000 5.331) 21.960 26.438 ( 1.179 0.000 -2.887) 3.119 26.438 ( 1.179 0.000 2.887) 3.119 26.797 ( -0.556 0.000 -2.475) 2.537 26.797 ( -0.556 0.000 2.475) 2.537 ======================= Grid point 202 (63/90) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( 12.120 0.000 -1.802) 12.253 0.812 ( 12.120 0.000 1.802) 12.253 0.874 ( 7.026 0.000 -8.953) 11.381 0.874 ( 7.026 0.000 8.953) 11.381 1.426 ( 13.337 0.000 -2.491) 13.567 1.426 ( 13.337 0.000 2.491) 13.567 1.438 ( 0.499 0.000 -6.254) 6.274 1.438 ( 0.499 0.000 6.254) 6.274 1.635 ( 18.964 0.000 -8.416) 20.748 1.635 ( 18.964 0.000 8.416) 20.748 1.748 ( -2.098 0.000 -4.893) 5.324 1.748 ( -2.098 0.000 4.893) 5.324 1.818 ( 4.805 0.000 -3.858) 6.162 1.818 ( 4.805 0.000 3.858) 6.162 2.497 ( -6.720 0.000 -0.800) 6.767 2.497 ( -6.720 0.000 0.800) 6.767 2.777 ( 1.626 0.000 -1.710) 2.359 2.777 ( 1.626 0.000 1.710) 2.359 2.871 ( -4.573 0.000 -1.695) 4.877 2.871 ( -4.573 0.000 1.695) 4.877 3.042 ( -1.763 0.000 -1.546) 2.345 3.042 ( -1.763 0.000 1.546) 2.345 3.710 ( 17.057 0.000 -7.681) 18.707 3.710 ( 17.057 0.000 7.681) 18.707 4.022 ( 6.861 0.000 -7.231) 9.968 4.022 ( 6.861 0.000 7.231) 9.968 5.843 ( 3.117 0.000 -1.783) 3.591 5.843 ( 3.117 0.000 1.783) 3.591 5.996 ( 5.758 0.000 -4.847) 7.527 5.996 ( 5.758 0.000 4.847) 7.527 7.365 ( -16.945 0.000 -0.899) 16.969 7.365 ( -16.945 0.000 0.899) 16.969 7.633 ( 6.389 0.000 -7.652) 9.969 7.633 ( 6.389 0.000 7.652) 9.969 8.474 ( 2.636 0.000 -2.665) 3.748 8.474 ( 2.636 0.000 2.665) 3.748 9.217 ( 16.900 0.000 -0.134) 16.901 9.217 ( 16.900 0.000 0.134) 16.901 10.917 ( -6.525 0.000 -0.339) 6.533 10.917 ( -6.525 0.000 0.339) 6.533 11.516 ( -18.847 0.000 -0.222) 18.848 11.516 ( -18.847 0.000 0.222) 18.848 11.628 ( -20.236 0.000 -3.783) 20.587 11.628 ( -20.236 0.000 3.783) 20.587 14.139 ( 29.046 0.000 -0.653) 29.053 14.139 ( 29.046 0.000 0.653) 29.053 17.345 ( -20.360 0.000 -0.716) 20.373 17.345 ( -20.360 0.000 0.716) 20.373 20.136 ( 32.906 0.000 -23.499) 40.435 20.136 ( 32.906 0.000 23.499) 40.435 21.732 ( 5.507 0.000 -2.128) 5.904 21.732 ( 5.507 0.000 2.128) 5.904 24.794 ( -13.672 0.000 -15.004) 20.299 24.794 ( -13.672 0.000 15.004) 20.299 25.256 ( -6.123 0.000 -1.985) 6.437 25.256 ( -6.123 0.000 1.985) 6.437 26.474 ( 2.171 0.000 -2.551) 3.350 26.474 ( 2.171 0.000 2.551) 3.350 26.780 ( -1.131 0.000 -2.077) 2.365 26.780 ( -1.131 0.000 2.077) 2.365 ======================= Grid point 204 (64/90) ======================= q-point: ( 0.30 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( 9.461 0.000 -1.207) 9.538 1.034 ( 9.461 0.000 1.207) 9.538 1.060 ( 9.780 0.000 -3.312) 10.326 1.060 ( 9.780 0.000 3.312) 10.326 1.403 ( -1.503 0.000 -8.595) 8.726 1.403 ( -1.503 0.000 8.595) 8.726 1.593 ( -1.160 0.000 -3.351) 3.546 1.593 ( -1.160 0.000 3.351) 3.546 1.800 ( 9.951 0.000 -3.652) 10.600 1.800 ( 9.951 0.000 3.652) 10.600 1.935 ( 7.985 0.000 -3.678) 8.791 1.935 ( 7.985 0.000 3.678) 8.791 2.055 ( 17.111 0.000 -7.040) 18.502 2.055 ( 17.111 0.000 7.040) 18.502 2.361 ( -5.912 0.000 -2.379) 6.373 2.361 ( -5.912 0.000 2.379) 6.373 2.772 ( -4.360 0.000 -1.319) 4.555 2.772 ( -4.360 0.000 1.319) 4.555 2.854 ( 4.942 0.000 -1.483) 5.160 2.854 ( 4.942 0.000 1.483) 5.160 2.989 ( -3.342 0.000 -1.910) 3.849 2.989 ( -3.342 0.000 1.910) 3.849 3.679 ( -9.744 0.000 -12.820) 16.103 3.679 ( -9.744 0.000 12.820) 16.103 4.562 ( 33.175 0.000 -6.807) 33.866 4.562 ( 33.175 0.000 6.807) 33.866 5.938 ( 6.205 0.000 -1.315) 6.343 5.938 ( 6.205 0.000 1.315) 6.343 6.062 ( 0.464 0.000 -8.490) 8.503 6.062 ( 0.464 0.000 8.490) 8.503 7.007 ( -17.203 0.000 -1.134) 17.241 7.007 ( -17.203 0.000 1.134) 17.241 7.793 ( 9.263 0.000 -6.140) 11.114 7.793 ( 9.263 0.000 6.140) 11.114 8.535 ( 2.322 0.000 -3.304) 4.038 8.535 ( 2.322 0.000 3.304) 4.038 9.574 ( 17.150 0.000 -0.101) 17.150 9.574 ( 17.150 0.000 0.101) 17.150 10.749 ( -9.537 0.000 -0.289) 9.542 10.749 ( -9.537 0.000 0.289) 9.542 11.103 ( -19.619 0.000 -0.376) 19.622 11.103 ( -19.619 0.000 0.376) 19.622 11.208 ( -19.482 0.000 -3.281) 19.757 11.208 ( -19.482 0.000 3.281) 19.757 14.738 ( 28.284 0.000 -0.846) 28.296 14.738 ( 28.284 0.000 0.846) 28.296 16.881 ( -23.621 0.000 -0.716) 23.632 16.881 ( -23.621 0.000 0.716) 23.632 20.714 ( 22.984 0.000 -19.504) 30.144 20.714 ( 22.984 0.000 19.504) 30.144 21.777 ( -1.821 0.000 -2.650) 3.216 21.777 ( -1.821 0.000 2.650) 3.216 24.600 ( -3.193 0.000 -14.313) 14.665 24.600 ( -3.193 0.000 14.313) 14.665 25.178 ( -3.384 0.000 -3.545) 4.900 25.178 ( -3.384 0.000 3.545) 4.900 26.526 ( 2.810 0.000 -1.998) 3.448 26.526 ( 2.810 0.000 1.998) 3.448 26.750 ( -1.731 0.000 -1.469) 2.271 26.750 ( -1.731 0.000 1.469) 2.271 ======================= Grid point 206 (65/90) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( 7.888 0.000 -0.895) 7.939 1.213 ( 7.888 0.000 0.895) 7.939 1.232 ( 6.233 0.000 -1.177) 6.344 1.232 ( 6.233 0.000 1.177) 6.344 1.376 ( -1.375 0.000 -7.200) 7.330 1.376 ( -1.375 0.000 7.200) 7.330 1.502 ( -5.898 0.000 -3.638) 6.930 1.502 ( -5.898 0.000 3.638) 6.930 2.006 ( 7.790 0.000 -4.461) 8.977 2.006 ( 7.790 0.000 4.461) 8.977 2.140 ( 11.111 0.000 -3.754) 11.728 2.140 ( 11.111 0.000 3.754) 11.728 2.259 ( -4.004 0.000 -4.662) 6.145 2.259 ( -4.004 0.000 4.662) 6.145 2.320 ( 7.475 0.000 -3.880) 8.422 2.320 ( 7.475 0.000 3.880) 8.422 2.720 ( -0.081 0.000 -0.799) 0.803 2.720 ( -0.081 0.000 0.799) 0.803 2.905 ( -4.619 0.000 -2.084) 5.067 2.905 ( -4.619 0.000 2.084) 5.067 2.955 ( 4.326 0.000 -0.990) 4.438 2.955 ( 4.326 0.000 0.990) 4.438 3.456 ( -10.340 0.000 -9.394) 13.970 3.456 ( -10.340 0.000 9.394) 13.970 5.202 ( 26.247 0.000 -7.418) 27.276 5.202 ( 26.247 0.000 7.418) 27.276 6.012 ( -5.238 0.000 -9.071) 10.475 6.012 ( -5.238 0.000 9.071) 10.475 6.106 ( 9.922 0.000 -1.225) 9.997 6.106 ( 9.922 0.000 1.225) 9.997 6.660 ( -15.938 0.000 -1.296) 15.991 6.660 ( -15.938 0.000 1.296) 15.991 8.024 ( 12.703 0.000 -4.531) 13.486 8.024 ( 12.703 0.000 4.531) 13.486 8.525 ( -4.154 0.000 -3.573) 5.479 8.525 ( -4.154 0.000 3.573) 5.479 9.922 ( 16.196 0.000 -0.079) 16.196 9.922 ( 16.196 0.000 0.079) 16.196 10.522 ( -12.234 0.000 -0.220) 12.236 10.522 ( -12.234 0.000 0.220) 12.236 10.759 ( -11.849 0.000 -1.261) 11.916 10.759 ( -11.849 0.000 1.261) 11.916 10.852 ( -13.805 0.000 -3.207) 14.172 10.852 ( -13.805 0.000 3.207) 14.172 15.311 ( 26.766 0.000 -0.718) 26.776 15.311 ( 26.766 0.000 0.718) 26.776 16.376 ( -24.727 0.000 -0.609) 24.734 16.376 ( -24.727 0.000 0.609) 24.734 21.118 ( 16.529 0.000 -12.721) 20.857 21.118 ( 16.529 0.000 12.721) 20.857 21.658 ( -9.029 0.000 -3.902) 9.836 21.658 ( -9.029 0.000 3.902) 9.836 24.647 ( 6.127 0.000 -8.588) 10.550 24.647 ( 6.127 0.000 8.588) 10.550 25.083 ( -5.718 0.000 -3.778) 6.853 25.083 ( -5.718 0.000 3.778) 6.853 26.587 ( 2.957 0.000 -1.273) 3.220 26.587 ( 2.957 0.000 1.273) 3.220 26.708 ( -2.271 0.000 -0.767) 2.397 26.708 ( -2.271 0.000 0.767) 2.397 ======================= Grid point 208 (66/90) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( -0.000 0.000 -0.000) 0.000 1.312 ( 0.000 0.000 0.000) 0.000 1.346 ( 0.000 0.000 -0.000) 0.000 1.346 ( 0.000 0.000 0.000) 0.000 1.356 ( 0.000 0.000 -0.000) 0.000 1.356 ( 0.000 0.000 0.000) 0.000 1.378 ( -0.000 0.000 -0.000) 0.000 1.378 ( -0.000 0.000 0.000) 0.000 2.099 ( 0.000 0.000 -0.000) 0.000 2.099 ( 0.000 0.000 0.000) 0.000 2.203 ( -0.000 0.000 -0.000) 0.000 2.203 ( 0.000 0.000 0.000) 0.000 2.312 ( -0.000 0.000 -0.000) 0.000 2.312 ( 0.000 0.000 0.000) 0.000 2.361 ( 0.000 0.000 0.000) 0.000 2.361 ( 0.000 0.000 0.000) 0.000 2.747 ( -0.000 0.000 0.000) 0.000 2.747 ( 0.000 0.000 0.000) 0.000 2.831 ( -0.000 0.000 -0.000) 0.000 2.831 ( 0.000 0.000 0.000) 0.000 3.011 ( 0.000 0.000 0.000) 0.000 3.011 ( 0.000 0.000 0.000) 0.000 3.325 ( 0.000 0.000 -0.000) 0.000 3.325 ( 0.000 0.000 0.000) 0.000 5.536 ( 0.000 0.000 -0.000) 0.000 5.536 ( 0.000 0.000 0.000) 0.000 5.904 ( -0.000 0.000 -0.000) 0.000 5.904 ( 0.000 0.000 0.000) 0.000 6.332 ( -0.000 0.000 -0.000) 0.000 6.332 ( 0.000 0.000 -0.000) 0.000 6.370 ( -0.000 0.000 0.000) 0.000 6.370 ( 0.000 0.000 0.000) 0.000 8.240 ( -0.000 0.000 0.000) 0.000 8.240 ( 0.000 0.000 0.000) 0.000 8.404 ( -0.000 0.000 0.000) 0.000 8.404 ( 0.000 0.000 0.000) 0.000 10.240 ( -0.000 0.000 0.000) 0.000 10.240 ( -0.000 0.000 0.000) 0.000 10.246 ( 0.000 0.000 -0.000) 0.000 10.246 ( 0.000 0.000 0.000) 0.000 10.647 ( 0.000 0.000 -0.000) 0.000 10.647 ( 0.000 0.000 0.000) 0.000 10.684 ( -0.000 0.000 -0.000) 0.000 10.684 ( -0.000 0.000 0.000) 0.000 15.852 ( 0.000 0.000 -0.000) 0.000 15.852 ( 0.000 0.000 0.000) 0.000 15.857 ( -0.000 0.000 -0.000) 0.000 15.857 ( -0.000 0.000 0.000) 0.000 21.408 ( 0.000 0.000 -0.000) 0.000 21.408 ( 0.000 0.000 0.000) 0.000 21.440 ( -0.000 0.000 -0.000) 0.000 21.440 ( -0.000 0.000 0.000) 0.000 24.751 ( 0.000 0.000 0.000) 0.000 24.751 ( 0.000 0.000 0.000) 0.000 24.991 ( 0.000 0.000 0.000) 0.000 24.991 ( 0.000 0.000 0.000) 0.000 26.636 ( -0.000 0.000 0.000) 0.000 26.636 ( -0.000 0.000 0.000) 0.000 26.667 ( 0.000 0.000 0.000) 0.000 26.667 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 220 (67/90) ======================= q-point: ( 0.00 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.651 ( 0.000 8.547 -2.184) 8.822 0.651 ( 0.000 8.547 2.184) 8.822 0.735 ( 0.000 24.348 -0.027) 24.348 0.735 ( 0.000 24.348 0.027) 24.348 0.914 ( 0.000 1.104 -8.404) 8.476 0.914 ( 0.000 1.104 8.404) 8.476 1.291 ( 0.000 10.948 -5.340) 12.181 1.291 ( 0.000 10.948 5.340) 12.181 1.533 ( 0.000 -6.028 -1.521) 6.217 1.533 ( 0.000 -6.028 1.521) 6.217 1.588 ( 0.000 -7.864 -1.263) 7.964 1.588 ( 0.000 -7.864 1.263) 7.964 1.912 ( 0.000 7.584 -3.176) 8.222 1.912 ( 0.000 7.584 3.176) 8.222 2.701 ( 0.000 1.015 -0.740) 1.256 2.701 ( 0.000 1.015 0.740) 1.256 2.722 ( 0.000 -2.582 -0.373) 2.609 2.722 ( 0.000 -2.582 0.373) 2.609 2.854 ( 0.000 -5.212 -1.050) 5.316 2.854 ( 0.000 -5.212 1.050) 5.316 3.081 ( 0.000 2.921 -0.396) 2.948 3.081 ( 0.000 2.921 0.396) 2.948 3.465 ( 0.000 11.222 -16.153) 19.669 3.465 ( 0.000 11.222 16.153) 19.669 4.043 ( 0.000 -0.905 -4.116) 4.214 4.043 ( 0.000 -0.905 4.116) 4.214 5.720 ( 0.000 0.693 -0.734) 1.009 5.720 ( 0.000 0.693 0.734) 1.009 5.778 ( 0.000 -0.882 -2.194) 2.364 5.778 ( 0.000 -0.882 2.194) 2.364 7.436 ( 0.000 -3.142 -6.782) 7.475 7.436 ( 0.000 -3.142 6.782) 7.475 7.861 ( 0.000 0.482 -0.680) 0.834 7.861 ( 0.000 0.482 0.680) 0.834 8.418 ( 0.000 -3.557 -3.274) 4.835 8.418 ( 0.000 -3.557 3.274) 4.835 8.754 ( 0.000 1.629 -0.311) 1.659 8.754 ( 0.000 1.629 0.311) 1.659 11.078 ( 0.000 1.855 -0.060) 1.856 11.078 ( 0.000 1.855 0.060) 1.856 11.966 ( 0.000 -0.752 -1.522) 1.697 11.966 ( 0.000 -0.752 1.522) 1.697 12.218 ( 0.000 -0.569 -0.468) 0.737 12.218 ( 0.000 -0.569 0.468) 0.737 13.218 ( 0.000 -1.606 -2.763) 3.195 13.218 ( 0.000 -1.606 2.763) 3.195 17.831 ( 0.000 -0.452 -0.258) 0.521 17.831 ( 0.000 -0.452 0.258) 0.521 18.949 ( 0.000 0.018 -0.019) 0.027 18.949 ( 0.000 0.018 0.019) 0.027 21.514 ( 0.000 -0.581 -0.849) 1.029 21.514 ( 0.000 -0.581 0.849) 1.029 24.973 ( 0.000 -26.814 -12.703) 29.671 24.973 ( 0.000 -26.814 12.703) 29.671 25.038 ( 0.000 -20.296 -10.210) 22.720 25.038 ( 0.000 -20.296 10.210) 22.720 26.596 ( 0.000 8.970 -0.089) 8.971 26.596 ( 0.000 8.970 0.089) 8.971 27.482 ( 0.000 37.333 -23.330) 44.023 27.482 ( 0.000 37.333 23.330) 44.023 ======================= Grid point 222 (68/90) ======================= q-point: ( 0.10 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.636 ( 1.660 10.889 -8.645) 14.002 0.636 ( 1.660 10.889 8.645) 14.002 0.872 ( 8.312 -1.137 -10.872) 13.733 0.872 ( 8.312 -1.137 10.872) 13.733 1.036 ( 10.072 9.515 -3.788) 14.364 1.036 ( 10.072 9.515 3.788) 14.364 1.423 ( 12.782 10.777 -7.241) 18.220 1.423 ( 12.782 10.777 7.241) 18.220 1.505 ( -2.272 -2.820 -5.785) 6.825 1.505 ( -2.272 -2.820 5.785) 6.825 1.632 ( 4.047 -7.497 -2.769) 8.958 1.632 ( 4.047 -7.497 2.769) 8.958 1.895 ( -1.469 7.689 -3.223) 8.465 1.895 ( -1.469 7.689 3.223) 8.465 2.665 ( -4.036 3.032 -0.579) 5.081 2.665 ( -4.036 3.032 0.579) 5.081 2.710 ( -0.081 -3.389 -1.077) 3.557 2.710 ( -0.081 -3.389 1.077) 3.557 3.003 ( 7.054 1.694 -1.279) 7.367 3.003 ( 7.054 1.694 1.279) 7.367 3.098 ( 4.599 1.783 -1.239) 5.085 3.098 ( 4.599 1.783 1.239) 5.085 3.388 ( -1.755 8.124 -13.554) 15.900 3.388 ( -1.755 8.124 13.554) 15.900 4.018 ( -2.542 -2.535 -11.159) 11.723 4.018 ( -2.542 -2.535 11.159) 11.723 5.793 ( 2.125 -0.454 -0.954) 2.373 5.793 ( 2.125 -0.454 0.954) 2.373 5.831 ( 7.810 -0.351 -1.140) 7.900 5.831 ( 7.810 -0.351 1.140) 7.900 7.478 ( 3.780 -3.647 -7.552) 9.199 7.478 ( 3.780 -3.647 7.552) 9.199 7.694 ( -13.651 0.183 -0.664) 13.669 7.694 ( -13.651 0.183 0.664) 13.669 8.420 ( 0.583 -2.431 -2.574) 3.588 8.420 ( 0.583 -2.431 2.574) 3.588 8.914 ( 13.373 1.726 -0.021) 13.483 8.914 ( 13.373 1.726 0.021) 13.483 11.040 ( -3.515 1.709 -0.418) 3.931 11.040 ( -3.515 1.709 0.418) 3.931 11.838 ( -11.609 -0.450 -0.492) 11.628 11.838 ( -11.609 -0.450 0.492) 11.628 12.018 ( -16.460 -0.425 -3.350) 16.803 12.018 ( -16.460 -0.425 3.350) 16.803 13.525 ( 24.886 -2.535 -2.147) 25.107 13.525 ( 24.886 -2.535 2.147) 25.107 17.694 ( -12.589 -0.340 -0.435) 12.601 17.694 ( -12.589 -0.340 0.435) 12.601 19.335 ( 31.906 -4.320 -10.123) 33.751 19.335 ( 31.906 -4.320 10.123) 33.751 21.587 ( 6.225 -0.641 -1.278) 6.387 21.587 ( 6.225 -0.641 1.278) 6.387 24.832 ( -10.923 -27.869 -18.355) 35.113 24.832 ( -10.923 -27.869 18.355) 35.113 25.076 ( 2.061 -11.793 -1.264) 12.038 25.076 ( 2.061 -11.793 1.264) 12.038 26.589 ( -0.602 8.650 -0.589) 8.691 26.589 ( -0.602 8.650 0.589) 8.691 27.325 ( -12.305 33.674 -14.850) 38.805 27.325 ( -12.305 33.674 14.850) 38.805 ======================= Grid point 224 (69/90) ======================= q-point: ( 0.20 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.694 ( 4.892 -1.807 -6.991) 8.722 0.694 ( 4.892 -1.807 6.991) 8.722 1.106 ( 11.152 9.661 -5.279) 15.671 1.106 ( 11.152 9.661 5.279) 15.671 1.248 ( 10.949 -6.411 -2.864) 13.007 1.248 ( 10.949 -6.411 2.864) 13.007 1.467 ( 0.841 -0.763 -6.407) 6.507 1.467 ( 0.841 -0.763 6.407) 6.507 1.718 ( 4.737 -3.729 -1.759) 6.280 1.718 ( 4.737 -3.729 1.759) 6.280 1.740 ( 9.256 5.492 -3.712) 11.385 1.740 ( 9.256 5.492 3.712) 11.385 1.893 ( 5.643 9.103 -2.364) 10.968 1.893 ( 5.643 9.103 2.364) 10.968 2.555 ( -5.984 4.552 -1.139) 7.605 2.555 ( -5.984 4.552 1.139) 7.605 2.737 ( 2.917 -1.738 -1.420) 3.680 2.737 ( 2.917 -1.738 1.420) 3.680 2.976 ( -4.841 6.498 -2.236) 8.406 2.976 ( -4.841 6.498 2.236) 8.406 3.126 ( -3.082 7.987 -1.100) 8.632 3.126 ( -3.082 7.987 1.100) 8.632 3.639 ( 13.556 -6.549 -6.933) 16.575 3.639 ( 13.556 -6.549 6.933) 16.575 4.012 ( 9.557 -0.765 -5.400) 11.004 4.012 ( 9.557 -0.765 5.400) 11.004 5.851 ( 3.583 0.152 -0.690) 3.652 5.851 ( 3.583 0.152 0.690) 3.652 5.983 ( 5.796 -0.588 -2.276) 6.255 5.983 ( 5.796 -0.588 2.276) 6.255 7.367 ( -16.620 0.108 -0.895) 16.644 7.367 ( -16.620 0.108 0.895) 16.644 7.587 ( 6.448 -3.919 -7.325) 10.516 7.587 ( 6.448 -3.919 7.325) 10.516 8.457 ( 2.935 -1.432 -2.481) 4.101 8.457 ( 2.935 -1.432 2.481) 4.101 9.240 ( 17.001 1.977 -0.105) 17.116 9.240 ( 17.001 1.977 0.105) 17.116 10.935 ( -6.570 1.592 -0.512) 6.780 10.935 ( -6.570 1.592 0.512) 6.780 11.514 ( -18.812 -0.240 -0.228) 18.815 11.514 ( -18.812 -0.240 0.228) 18.815 11.622 ( -20.346 -0.530 -3.616) 20.671 11.622 ( -20.346 -0.530 3.616) 20.671 14.108 ( 29.472 -2.563 -0.276) 29.584 14.108 ( 29.472 -2.563 0.276) 29.584 17.342 ( -20.302 -0.199 -0.666) 20.314 17.342 ( -20.302 -0.199 0.666) 20.314 20.046 ( 32.859 -7.510 -18.473) 38.436 20.046 ( 32.859 -7.510 18.473) 38.436 21.722 ( 5.288 -0.909 -1.834) 5.670 21.722 ( 5.288 -0.909 1.834) 5.670 24.600 ( -9.303 -17.724 -18.812) 27.469 24.600 ( -9.303 -17.724 18.812) 27.469 25.113 ( 1.288 -6.969 -2.403) 7.484 25.113 ( 1.288 -6.969 2.403) 7.484 26.579 ( -0.138 7.150 -1.349) 7.277 26.579 ( -0.138 7.150 1.349) 7.277 27.076 ( -10.470 22.913 -4.869) 25.658 27.076 ( -10.470 22.913 4.869) 25.658 ======================= Grid point 226 (70/90) ======================= q-point: ( 0.30 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.850 ( 9.319 -6.978 -1.786) 11.778 0.850 ( 9.319 -6.978 1.786) 11.778 1.275 ( 5.658 8.753 -2.333) 10.681 1.275 ( 5.658 8.753 2.333) 10.681 1.379 ( 1.407 -1.325 -8.417) 8.636 1.379 ( 1.407 -1.325 8.417) 8.636 1.601 ( 4.530 -0.570 -2.196) 5.067 1.601 ( 4.530 -0.570 2.196) 5.067 1.736 ( 4.744 -2.257 -1.904) 5.588 1.736 ( 4.744 -2.257 1.904) 5.588 1.895 ( 9.176 -3.774 -3.159) 10.412 1.895 ( 9.176 -3.774 3.159) 10.412 2.125 ( 10.318 5.213 -3.449) 12.064 2.125 ( 10.318 5.213 3.449) 12.064 2.436 ( -5.039 5.996 -2.522) 8.229 2.436 ( -5.039 5.996 2.522) 8.229 2.814 ( 3.066 0.127 -0.649) 3.136 2.814 ( 3.066 0.127 0.649) 3.136 2.880 ( -2.336 5.690 -1.418) 6.312 2.880 ( -2.336 5.690 1.418) 6.312 3.053 ( -3.862 5.832 -2.087) 7.299 3.053 ( -3.862 5.832 2.087) 7.299 3.613 ( -8.566 -5.994 -10.761) 15.004 3.613 ( -8.566 -5.994 10.761) 15.004 4.545 ( 32.025 -1.486 -5.933) 32.604 4.545 ( 32.025 -1.486 5.933) 32.604 5.931 ( 3.144 -2.534 -4.117) 5.767 5.931 ( 3.144 -2.534 4.117) 5.767 6.072 ( 3.697 2.787 -2.613) 5.316 6.072 ( 3.697 2.787 2.613) 5.316 7.022 ( -16.105 1.384 -1.109) 16.202 7.022 ( -16.105 1.384 1.109) 16.202 7.754 ( 9.764 -3.472 -5.967) 11.958 7.754 ( 9.764 -3.472 5.967) 11.958 8.521 ( 2.316 -1.278 -3.092) 4.069 8.521 ( 2.316 -1.278 3.092) 4.069 9.599 ( 17.217 2.220 -0.098) 17.360 9.599 ( 17.217 2.220 0.098) 17.360 10.768 ( -9.509 1.652 -0.440) 9.661 10.768 ( -9.509 1.652 0.440) 9.661 11.100 ( -19.684 -0.281 -0.382) 19.690 11.100 ( -19.684 -0.281 0.382) 19.690 11.201 ( -19.488 -0.661 -3.203) 19.761 11.201 ( -19.488 -0.661 3.203) 19.761 14.717 ( 28.731 -1.839 -0.407) 28.793 14.717 ( 28.731 -1.839 0.407) 28.793 16.879 ( -23.653 -0.170 -0.654) 23.663 16.879 ( -23.653 -0.170 0.654) 23.663 20.641 ( 24.224 -6.377 -16.477) 29.983 20.641 ( 24.224 -6.377 16.477) 29.983 21.761 ( -2.051 -1.357 -2.327) 3.386 21.761 ( -2.051 -1.357 2.327) 3.386 24.506 ( 0.755 -8.321 -13.753) 16.092 24.506 ( 0.755 -8.321 13.753) 16.092 25.115 ( -1.468 -4.525 -3.389) 5.841 25.115 ( -1.468 -4.525 3.389) 5.841 26.588 ( 1.058 4.743 -1.538) 5.097 26.588 ( 1.058 4.743 1.538) 5.097 26.897 ( -6.965 12.513 -0.891) 14.348 26.897 ( -6.965 12.513 0.891) 14.348 ======================= Grid point 228 (71/90) ======================= q-point: ( 0.40 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( 9.320 -7.890 -0.831) 12.240 1.049 ( 9.320 -7.890 0.831) 12.240 1.338 ( -1.210 -1.522 -5.251) 5.599 1.338 ( -1.210 -1.522 5.251) 5.599 1.391 ( 1.687 5.383 -0.646) 5.678 1.391 ( 1.687 5.383 0.646) 5.678 1.537 ( -5.005 3.132 -2.401) 6.373 1.537 ( -5.005 3.132 2.401) 6.373 1.941 ( 9.242 -4.351 -3.048) 10.660 1.941 ( 9.242 -4.351 3.048) 10.660 2.123 ( 10.781 -3.696 -1.954) 11.563 2.123 ( 10.781 -3.696 1.954) 11.563 2.245 ( 0.822 -1.999 -4.556) 5.042 2.245 ( 0.822 -1.999 4.556) 5.042 2.364 ( -1.088 6.304 -3.243) 7.172 2.364 ( -1.088 6.304 3.243) 7.172 2.821 ( 0.402 7.632 -0.695) 7.674 2.821 ( 0.402 7.632 0.695) 7.674 2.926 ( 2.309 -0.197 -0.580) 2.389 2.926 ( 2.309 -0.197 0.580) 2.389 2.975 ( -2.239 4.286 -2.314) 5.361 2.975 ( -2.239 4.286 2.314) 5.361 3.413 ( -9.406 -3.880 -8.060) 12.981 3.413 ( -9.406 -3.880 8.060) 12.981 5.159 ( 25.084 -3.656 -6.705) 26.221 5.159 ( 25.084 -3.656 6.705) 26.221 5.914 ( -5.107 -7.312 -8.128) 12.067 5.914 ( -5.107 -7.312 8.128) 12.067 6.202 ( 9.068 7.223 -1.277) 11.663 6.202 ( 9.068 7.223 1.277) 11.663 6.707 ( -14.114 3.973 -1.475) 14.737 6.707 ( -14.114 3.973 1.475) 14.737 7.997 ( 13.379 -2.389 -4.356) 14.271 7.997 ( 13.379 -2.389 4.356) 14.271 8.510 ( -4.299 -1.399 -3.369) 5.638 8.510 ( -4.299 -1.399 3.369) 5.638 9.947 ( 16.111 2.243 -0.137) 16.267 9.947 ( 16.111 2.243 0.137) 16.267 10.541 ( -12.205 1.688 -0.349) 12.326 10.541 ( -12.205 1.688 0.349) 12.326 10.754 ( -11.928 -0.414 -1.193) 11.995 10.754 ( -11.928 -0.414 1.193) 11.995 10.846 ( -13.681 -0.523 -3.120) 14.042 10.846 ( -13.681 -0.523 3.120) 14.042 15.298 ( 27.086 -1.176 -0.514) 27.116 15.298 ( 27.086 -1.176 0.514) 27.116 16.373 ( -24.866 -0.334 -0.528) 24.874 16.373 ( -24.866 -0.334 0.528) 24.874 21.071 ( 17.656 -4.204 -11.181) 21.317 21.071 ( 17.656 -4.204 11.181) 21.317 21.638 ( -9.300 -1.778 -3.481) 10.088 21.638 ( -9.300 -1.778 3.481) 10.088 24.610 ( 7.903 -3.311 -8.139) 11.818 24.610 ( 7.903 -3.311 8.139) 11.818 25.044 ( -5.201 -3.260 -3.696) 7.165 25.044 ( -5.201 -3.260 3.696) 7.165 26.623 ( 2.307 2.993 -1.192) 3.962 26.623 ( 2.307 2.993 1.192) 3.962 26.776 ( -4.874 5.990 -0.333) 7.730 26.776 ( -4.874 5.990 0.333) 7.730 ======================= Grid point 230 (72/90) ======================= q-point: (-0.50 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( -0.000 -6.016 -0.000) 6.016 1.206 ( 0.000 -6.016 0.000) 6.016 1.254 ( 0.000 -5.824 0.000) 5.824 1.254 ( 0.000 -5.824 0.000) 5.824 1.449 ( 0.000 4.809 -0.000) 4.809 1.449 ( 0.000 4.809 0.000) 4.809 1.452 ( -0.000 4.025 -0.000) 4.025 1.452 ( -0.000 4.025 0.000) 4.025 2.056 ( 0.000 -3.681 0.000) 3.681 2.056 ( 0.000 -3.681 0.000) 3.681 2.205 ( 0.000 -1.759 0.000) 1.759 2.205 ( 0.000 -1.759 0.000) 1.759 2.265 ( 0.000 -1.493 -0.000) 1.493 2.265 ( -0.000 -1.493 -0.000) 1.493 2.370 ( 0.000 0.797 0.000) 0.797 2.370 ( 0.000 0.797 0.000) 0.797 2.834 ( 0.000 6.904 0.000) 6.904 2.834 ( 0.000 6.904 0.000) 6.904 2.905 ( -0.000 6.407 -0.000) 6.407 2.905 ( 0.000 6.407 0.000) 6.407 2.999 ( -0.000 -0.744 0.000) 0.744 2.999 ( 0.000 -0.744 0.000) 0.744 3.292 ( 0.000 -3.076 -0.000) 3.076 3.292 ( 0.000 -3.076 0.000) 3.076 5.483 ( 0.000 -4.452 -0.000) 4.452 5.483 ( 0.000 -4.452 0.000) 4.452 5.799 ( -0.000 -8.450 0.000) 8.450 5.799 ( 0.000 -8.450 0.000) 8.450 6.400 ( -0.000 5.922 -0.000) 5.922 6.400 ( 0.000 5.922 0.000) 5.922 6.461 ( -0.000 7.091 0.000) 7.091 6.461 ( 0.000 7.091 0.000) 7.091 8.227 ( -0.000 -1.115 0.000) 1.115 8.227 ( 0.000 -1.115 0.000) 1.115 8.381 ( -0.000 -2.102 0.000) 2.102 8.381 ( 0.000 -2.102 0.000) 2.102 10.261 ( -0.000 1.876 0.000) 1.876 10.261 ( 0.000 1.876 0.000) 1.876 10.268 ( -0.000 2.028 -0.000) 2.028 10.268 ( 0.000 2.028 -0.000) 2.028 10.640 ( 0.000 -0.633 -0.000) 0.633 10.640 ( 0.000 -0.633 0.000) 0.633 10.681 ( -0.000 -0.289 -0.000) 0.289 10.681 ( -0.000 -0.289 0.000) 0.289 15.844 ( 0.000 -0.635 0.000) 0.635 15.844 ( 0.000 -0.635 0.000) 0.635 15.849 ( -0.000 -0.725 -0.000) 0.725 15.849 ( -0.000 -0.725 0.000) 0.725 21.382 ( 0.000 -2.319 -0.000) 2.319 21.382 ( 0.000 -2.319 0.000) 2.319 21.408 ( -0.000 -2.843 -0.000) 2.843 21.408 ( -0.000 -2.843 0.000) 2.843 24.737 ( 0.000 -1.202 0.000) 1.202 24.737 ( 0.000 -1.202 0.000) 1.202 24.952 ( -0.000 -3.511 0.000) 3.511 24.952 ( 0.000 -3.511 0.000) 3.511 26.673 ( -0.000 3.261 0.000) 3.261 26.673 ( -0.000 3.261 0.000) 3.261 26.700 ( 0.000 2.933 0.000) 2.933 26.700 ( 0.000 2.933 0.000) 2.933 ======================= Grid point 242 (73/90) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.628 ( 0.000 -6.555 -9.529) 11.566 0.628 ( 0.000 -6.555 9.529) 11.566 1.065 ( 0.000 12.781 -1.230) 12.840 1.065 ( 0.000 12.781 1.230) 12.840 1.227 ( 0.000 8.108 -0.643) 8.134 1.227 ( 0.000 8.108 0.643) 8.134 1.393 ( 0.000 -2.207 -1.911) 2.919 1.393 ( 0.000 -2.207 1.911) 2.919 1.412 ( 0.000 4.909 -3.436) 5.992 1.412 ( 0.000 4.909 3.436) 5.992 1.619 ( 0.000 10.369 -2.847) 10.753 1.619 ( 0.000 10.369 2.847) 10.753 2.083 ( 0.000 8.008 -2.737) 8.462 2.083 ( 0.000 8.008 2.737) 8.462 2.636 ( 0.000 -2.854 -0.749) 2.950 2.636 ( 0.000 -2.854 0.749) 2.950 2.720 ( 0.000 -2.231 -1.012) 2.450 2.720 ( 0.000 -2.231 1.012) 2.450 2.827 ( 0.000 2.480 -0.873) 2.629 2.827 ( 0.000 2.480 0.873) 2.629 3.164 ( 0.000 4.644 -0.019) 4.644 3.164 ( 0.000 4.644 0.019) 4.644 3.620 ( 0.000 4.033 -14.007) 14.576 3.620 ( 0.000 4.033 14.007) 14.576 3.995 ( 0.000 -3.951 -2.942) 4.926 3.995 ( 0.000 -3.951 2.942) 4.926 5.718 ( 0.000 -1.193 -1.364) 1.812 5.718 ( 0.000 -1.193 1.364) 1.812 5.775 ( 0.000 0.936 -0.854) 1.267 5.775 ( 0.000 0.936 0.854) 1.267 7.369 ( 0.000 -2.908 -4.337) 5.222 7.369 ( 0.000 -2.908 4.337) 5.222 7.868 ( 0.000 0.170 -0.395) 0.430 7.868 ( 0.000 0.170 0.395) 0.430 8.351 ( 0.000 -2.604 -1.749) 3.137 8.351 ( 0.000 -2.604 1.749) 3.137 8.779 ( 0.000 0.709 -0.558) 0.902 8.779 ( 0.000 0.709 0.558) 0.902 11.113 ( 0.000 1.291 -0.217) 1.309 11.113 ( 0.000 1.291 0.217) 1.309 11.947 ( 0.000 -0.986 -0.555) 1.132 11.947 ( 0.000 -0.986 0.555) 1.132 12.213 ( 0.000 0.058 -0.099) 0.115 12.213 ( 0.000 0.058 0.099) 0.115 13.190 ( 0.000 -0.946 -1.710) 1.954 13.190 ( 0.000 -0.946 1.710) 1.954 17.821 ( 0.000 -0.479 -0.236) 0.534 17.821 ( 0.000 -0.479 0.236) 0.534 18.950 ( 0.000 0.034 -0.017) 0.038 18.950 ( 0.000 0.034 0.017) 0.038 21.500 ( 0.000 -0.740 -0.614) 0.961 21.500 ( 0.000 -0.740 0.614) 0.961 24.223 ( 0.000 -28.898 -21.219) 35.851 24.223 ( 0.000 -28.898 21.219) 35.851 24.985 ( 0.000 -1.234 -0.612) 1.377 24.985 ( 0.000 -1.234 0.612) 1.377 26.812 ( 0.000 10.966 -1.401) 11.055 26.812 ( 0.000 10.966 1.401) 11.055 28.051 ( 0.000 18.275 -22.675) 29.123 28.051 ( 0.000 18.275 22.675) 29.123 ======================= Grid point 244 (74/90) ======================= q-point: ( 0.10 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.720 ( 7.973 -7.088 -7.372) 12.968 0.720 ( 7.973 -7.088 7.372) 12.968 0.934 ( -7.059 13.893 -4.653) 16.263 0.934 ( -7.059 13.893 4.653) 16.263 1.269 ( 1.777 2.707 -4.097) 5.222 1.269 ( 1.777 2.707 4.097) 5.222 1.450 ( 4.373 -6.898 -3.594) 8.923 1.450 ( 4.373 -6.898 3.594) 8.923 1.490 ( 4.587 8.941 -5.588) 11.498 1.490 ( 4.587 8.941 5.588) 11.498 1.718 ( 10.016 11.847 -2.892) 15.781 1.718 ( 10.016 11.847 2.892) 15.781 2.067 ( -1.423 7.819 -2.413) 8.306 2.067 ( -1.423 7.819 2.413) 8.306 2.636 ( 0.144 -1.909 -1.673) 2.543 2.636 ( 0.144 -1.909 1.673) 2.543 2.771 ( -1.304 4.812 -0.804) 5.050 2.771 ( -1.304 4.812 0.804) 5.050 2.969 ( 17.356 -4.290 -0.364) 17.882 2.969 ( 17.356 -4.290 0.364) 17.882 3.165 ( 0.368 4.849 -0.584) 4.898 3.165 ( 0.368 4.849 0.584) 4.898 3.542 ( -6.529 5.315 -11.923) 14.596 3.542 ( -6.529 5.315 11.923) 14.596 3.948 ( -3.032 -3.969 -7.828) 9.286 3.948 ( -3.032 -3.969 7.828) 9.286 5.788 ( 1.945 -0.098 -0.506) 2.012 5.788 ( 1.945 -0.098 0.506) 2.012 5.818 ( 7.463 -0.780 -1.936) 7.749 5.818 ( 7.463 -0.780 1.936) 7.749 7.398 ( 2.810 -3.519 -5.372) 7.010 7.398 ( 2.810 -3.519 5.372) 7.010 7.696 ( -13.889 -0.043 -0.484) 13.898 7.696 ( -13.889 -0.043 0.484) 13.898 8.369 ( 1.672 -2.235 -1.714) 3.276 8.369 ( 1.672 -2.235 1.714) 3.276 8.948 ( 14.038 1.413 -0.581) 14.121 8.948 ( 14.038 1.413 0.581) 14.121 11.076 ( -3.462 1.469 -0.569) 3.803 11.076 ( -3.462 1.469 0.569) 3.803 11.827 ( -11.130 -0.572 -0.220) 11.147 11.827 ( -11.130 -0.572 0.220) 11.147 12.008 ( -16.739 -0.455 -2.122) 16.880 12.008 ( -16.739 -0.455 2.122) 16.880 13.478 ( 23.830 -1.643 -2.285) 23.995 13.478 ( 23.830 -1.643 2.285) 23.995 17.686 ( -12.424 -0.388 -0.366) 12.435 17.686 ( -12.424 -0.388 0.366) 12.435 19.248 ( 25.884 -3.565 -4.546) 26.521 19.248 ( 25.884 -3.565 4.546) 26.521 21.571 ( 6.052 -0.822 -0.897) 6.174 21.571 ( 6.052 -0.822 0.897) 6.174 24.205 ( -1.290 -25.692 -19.688) 32.394 24.205 ( -1.290 -25.692 19.688) 32.394 24.996 ( 1.088 -1.652 -1.012) 2.222 24.996 ( 1.088 -1.652 1.012) 2.222 26.791 ( -1.923 10.150 -1.001) 10.379 26.791 ( -1.923 10.150 1.001) 10.379 27.879 ( -14.899 19.005 -17.541) 29.847 27.879 ( -14.899 19.005 17.541) 29.847 ======================= Grid point 246 (75/90) ======================= q-point: ( 0.20 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.758 ( -2.197 6.409 -6.364) 9.295 0.758 ( -2.197 6.409 6.364) 9.295 1.037 ( 14.720 -5.425 -3.433) 16.059 1.037 ( 14.720 -5.425 3.433) 16.059 1.309 ( 2.443 1.518 -3.734) 4.714 1.309 ( 2.443 1.518 3.734) 4.714 1.528 ( 2.596 2.954 -8.920) 9.748 1.528 ( 2.596 2.954 8.920) 9.748 1.599 ( 6.644 -0.867 -1.114) 6.792 1.599 ( 6.644 -0.867 1.114) 6.792 1.899 ( 1.857 7.696 -1.190) 8.006 1.899 ( 1.857 7.696 1.190) 8.006 2.073 ( 5.216 6.570 -1.126) 8.464 2.073 ( 5.216 6.570 1.126) 8.464 2.627 ( -1.648 1.163 -2.269) 3.037 2.627 ( -1.648 1.163 2.269) 3.037 2.744 ( 0.225 2.946 -1.744) 3.431 2.744 ( 0.225 2.946 1.744) 3.431 3.113 ( -2.397 6.962 -1.005) 7.431 3.113 ( -2.397 6.962 1.005) 7.431 3.304 ( -0.227 6.370 -0.668) 6.409 3.304 ( -0.227 6.370 0.668) 6.409 3.471 ( 4.769 -7.668 -4.885) 10.267 3.471 ( 4.769 -7.668 4.885) 10.267 3.996 ( 13.368 -0.730 -3.225) 13.771 3.996 ( 13.368 -0.730 3.225) 13.771 5.824 ( 1.438 -2.569 -2.859) 4.104 5.824 ( 1.438 -2.569 2.859) 4.104 5.997 ( 8.740 1.763 -2.140) 9.170 5.997 ( 8.740 1.763 2.140) 9.170 7.367 ( -15.210 -0.224 -0.906) 15.238 7.367 ( -15.210 -0.224 0.906) 15.238 7.498 ( 5.543 -3.939 -5.695) 8.870 7.498 ( 5.543 -3.939 5.695) 8.870 8.422 ( 3.306 -1.746 -1.935) 4.210 8.422 ( 3.306 -1.746 1.935) 4.210 9.287 ( 17.539 2.286 -0.494) 17.694 9.287 ( 17.539 2.286 0.494) 17.694 10.973 ( -6.400 1.800 -0.706) 6.685 10.973 ( -6.400 1.800 0.706) 6.685 11.509 ( -18.682 -0.168 -0.194) 18.684 11.509 ( -18.682 -0.168 0.194) 18.684 11.606 ( -20.636 -0.967 -2.980) 20.872 11.606 ( -20.636 -0.967 2.980) 20.872 14.054 ( 29.710 -2.305 -1.317) 29.829 14.054 ( 29.710 -2.305 1.317) 29.829 17.337 ( -20.188 -0.243 -0.516) 20.196 17.337 ( -20.188 -0.243 0.516) 20.196 19.878 ( 31.621 -7.586 -10.002) 34.022 19.878 ( 31.621 -7.586 10.002) 34.022 21.699 ( 4.803 -1.174 -1.275) 5.106 21.699 ( 4.803 -1.174 1.275) 5.106 24.200 ( 1.728 -17.915 -15.555) 23.789 24.200 ( 1.728 -17.915 15.555) 23.789 25.024 ( 1.320 -2.507 -1.807) 3.360 25.024 ( 1.320 -2.507 1.807) 3.360 26.741 ( -2.560 7.994 -0.182) 8.396 26.741 ( -2.560 7.994 0.182) 8.396 27.518 ( -18.081 17.334 -8.909) 26.585 27.518 ( -18.081 17.334 8.909) 26.585 ======================= Grid point 248 (76/90) ======================= q-point: ( 0.30 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.780 ( 4.196 0.589 -2.808) 5.083 0.780 ( 4.196 0.589 2.808) 5.083 1.282 ( 4.591 -3.816 -5.526) 8.135 1.282 ( 4.591 -3.816 5.526) 8.135 1.419 ( 7.891 0.436 -5.697) 9.742 1.419 ( 7.891 0.436 5.697) 9.742 1.591 ( 5.836 -0.330 -4.461) 7.353 1.591 ( 5.836 -0.330 4.461) 7.353 1.712 ( 0.907 -0.215 -1.671) 1.913 1.712 ( 0.907 -0.215 1.671) 1.913 1.871 ( 1.890 2.244 -2.036) 3.571 1.871 ( 1.890 2.244 2.036) 3.571 2.208 ( 4.655 2.409 -3.129) 6.104 2.208 ( 4.655 2.409 3.129) 6.104 2.571 ( -3.119 6.351 -2.313) 7.444 2.571 ( -3.119 6.351 2.313) 7.444 2.788 ( 3.418 -1.594 -1.105) 3.930 2.788 ( 3.418 -1.594 1.105) 3.930 3.049 ( -2.673 9.017 -1.181) 9.479 3.049 ( -2.673 9.017 1.181) 9.479 3.203 ( -5.519 7.468 -1.540) 9.412 3.203 ( -5.519 7.468 1.540) 9.412 3.458 ( -5.545 -7.943 -6.234) 11.519 3.458 ( -5.545 -7.943 6.234) 11.519 4.510 ( 29.600 -1.704 -4.024) 29.921 4.510 ( 29.600 -1.704 4.024) 29.921 5.828 ( -1.545 -6.212 -5.794) 8.634 5.828 ( -1.545 -6.212 5.794) 8.634 6.177 ( 8.738 6.007 -1.743) 10.746 6.177 ( 8.738 6.007 1.743) 10.746 7.057 ( -13.808 1.716 -0.949) 13.947 7.057 ( -13.808 1.716 0.949) 13.947 7.669 ( 10.581 -4.198 -5.087) 12.469 7.669 ( 10.581 -4.198 5.088) 12.469 8.488 ( 2.242 -1.723 -2.439) 3.734 8.488 ( 2.242 -1.723 2.439) 3.734 9.655 ( 17.508 2.855 -0.376) 17.743 9.655 ( 17.508 2.855 0.376) 17.743 10.809 ( -9.364 2.109 -0.669) 9.622 10.809 ( -9.364 2.109 0.669) 9.622 11.095 ( -19.798 -0.144 -0.350) 19.801 11.095 ( -19.798 -0.144 0.350) 19.801 11.182 ( -19.488 -1.162 -2.817) 19.725 11.182 ( -19.488 -1.162 2.817) 19.725 14.674 ( 29.409 -2.078 -0.550) 29.488 14.674 ( 29.409 -2.078 0.550) 29.488 16.875 ( -23.734 -0.225 -0.486) 23.740 16.875 ( -23.734 -0.225 0.486) 23.740 20.487 ( 26.203 -7.484 -10.265) 29.120 20.487 ( 26.203 -7.484 10.265) 29.120 21.727 ( -2.560 -1.724 -1.652) 3.501 21.727 ( -2.560 -1.724 1.652) 3.501 24.304 ( 8.293 -9.890 -10.464) 16.616 24.304 ( 8.293 -9.890 10.464) 16.616 25.034 ( -0.868 -2.985 -2.515) 3.998 25.034 ( -0.868 -2.985 2.515) 3.998 26.697 ( -1.374 5.369 -0.565) 5.571 26.697 ( -1.374 5.369 0.565) 5.571 27.173 ( -14.565 12.150 -3.397) 19.269 27.173 ( -14.565 12.150 3.397) 19.269 ======================= Grid point 250 (77/90) ======================= q-point: ( 0.40 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( 7.906 -4.943 -0.938) 9.371 0.911 ( 7.906 -4.943 0.938) 9.371 1.273 ( -5.297 -4.083 -4.930) 8.308 1.273 ( -5.297 -4.083 4.930) 8.308 1.480 ( 1.286 2.590 -2.156) 3.607 1.480 ( 1.286 2.590 2.156) 3.607 1.618 ( -4.476 4.036 -2.519) 6.532 1.618 ( -4.476 4.036 2.519) 6.532 1.845 ( 11.485 -5.308 -1.698) 12.766 1.845 ( 11.485 -5.308 1.698) 12.766 2.010 ( 8.523 -4.519 -0.848) 9.684 2.010 ( 8.523 -4.519 0.848) 9.684 2.244 ( -0.055 0.963 -5.381) 5.467 2.244 ( -0.055 0.963 5.381) 5.467 2.497 ( -4.707 5.614 -1.902) 7.569 2.497 ( -4.707 5.614 1.902) 7.569 2.872 ( 4.507 -1.640 -1.184) 4.940 2.872 ( 4.507 -1.640 1.184) 4.940 3.024 ( 0.218 8.655 -0.623) 8.680 3.024 ( 0.218 8.655 0.623) 8.680 3.104 ( -3.647 6.879 -1.730) 7.976 3.104 ( -3.647 6.879 1.730) 7.976 3.313 ( -7.448 -5.126 -5.141) 10.400 3.313 ( -7.448 -5.126 5.141) 10.400 5.073 ( 22.917 -4.118 -5.004) 23.816 5.073 ( 22.917 -4.118 5.004) 23.816 5.743 ( -6.692 -8.421 -6.630) 12.636 5.743 ( -6.692 -8.421 6.630) 12.636 6.368 ( 9.625 8.004 -1.410) 12.598 6.368 ( 9.625 8.004 1.410) 12.598 6.799 ( -11.063 4.390 -1.375) 11.982 6.799 ( -11.063 4.390 1.375) 11.982 7.937 ( 14.854 -3.036 -3.670) 15.599 7.937 ( 14.854 -3.036 3.670) 15.599 8.473 ( -4.643 -1.935 -2.715) 5.716 8.473 ( -4.643 -1.935 2.715) 5.716 10.006 ( 16.005 3.050 -0.394) 16.298 10.006 ( 16.005 3.050 0.394) 16.298 10.583 ( -12.116 2.126 -0.626) 12.317 10.583 ( -12.116 2.126 0.626) 12.317 10.746 ( -12.158 -0.236 -0.896) 12.193 10.746 ( -12.158 -0.236 0.896) 12.193 10.831 ( -13.349 -0.932 -2.786) 13.668 10.831 ( -13.349 -0.932 2.786) 13.668 15.269 ( 27.725 -1.506 -0.314) 27.768 15.269 ( 27.725 -1.506 0.314) 27.768 16.364 ( -25.195 -0.453 -0.339) 25.202 16.364 ( -25.195 -0.453 0.339) 25.202 20.965 ( 19.972 -5.381 -7.582) 22.029 20.965 ( 19.972 -5.381 7.582) 22.029 21.593 ( -9.956 -2.287 -2.479) 10.512 21.593 ( -9.956 -2.287 2.479) 10.512 24.523 ( 11.790 -4.576 -6.384) 14.167 24.523 ( 11.790 -4.576 6.384) 14.167 24.972 ( -5.229 -3.225 -3.060) 6.863 24.972 ( -5.229 -3.225 3.060) 6.863 26.695 ( 1.390 3.580 -0.789) 3.920 26.695 ( 1.390 3.580 0.789) 3.920 26.919 ( -9.764 6.862 -1.151) 11.990 26.919 ( -9.764 6.862 1.151) 11.990 ======================= Grid point 252 (78/90) ======================= q-point: (-0.50 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( -0.000 -5.878 -0.000) 5.878 1.081 ( 0.000 -5.878 0.000) 5.878 1.116 ( -0.000 -7.103 0.000) 7.103 1.116 ( 0.000 -7.103 0.000) 7.103 1.533 ( 0.001 3.190 -0.001) 3.190 1.533 ( -0.000 3.190 0.000) 3.190 1.534 ( -0.001 3.767 -0.000) 3.767 1.534 ( 0.000 3.767 0.001) 3.767 1.974 ( -0.000 -3.577 0.000) 3.577 1.974 ( 0.000 -3.577 0.000) 3.577 2.114 ( 0.000 -5.033 0.000) 5.033 2.114 ( 0.000 -5.033 0.000) 5.033 2.292 ( 0.000 2.143 -0.000) 2.143 2.292 ( 0.000 2.143 0.000) 2.143 2.385 ( 0.000 0.465 0.000) 0.465 2.385 ( 0.000 0.465 0.000) 0.465 2.937 ( 0.000 1.102 0.000) 1.102 2.937 ( 0.000 1.102 0.000) 1.102 3.044 ( -0.000 6.546 0.000) 6.546 3.044 ( 0.000 6.546 0.000) 6.546 3.059 ( -0.000 7.515 -0.000) 7.515 3.059 ( 0.000 7.515 0.000) 7.515 3.209 ( 0.000 -4.507 -0.000) 4.507 3.209 ( 0.000 -4.507 0.000) 4.507 5.381 ( 0.000 -4.730 -0.000) 4.730 5.381 ( 0.000 -4.730 0.000) 4.730 5.605 ( -0.000 -9.426 0.000) 9.426 5.605 ( -0.000 -9.426 0.000) 9.426 6.545 ( -0.000 7.219 -0.000) 7.219 6.545 ( 0.000 7.219 0.000) 7.219 6.612 ( -0.000 6.653 0.000) 6.653 6.612 ( 0.000 6.653 0.000) 6.653 8.202 ( -0.000 -1.109 0.000) 1.109 8.202 ( 0.000 -1.109 0.000) 1.109 8.324 ( -0.000 -3.155 0.000) 3.155 8.324 ( 0.000 -3.155 0.000) 3.155 10.310 ( -0.000 2.566 0.000) 2.566 10.310 ( 0.000 2.566 0.000) 2.566 10.321 ( -0.000 2.832 -0.000) 2.832 10.321 ( 0.000 2.832 -0.000) 2.832 10.625 ( 0.000 -0.703 -0.000) 0.703 10.625 ( 0.000 -0.703 0.000) 0.703 10.672 ( 0.000 -0.624 -0.000) 0.624 10.672 ( 0.000 -0.624 0.000) 0.624 15.828 ( -0.000 -0.863 0.000) 0.863 15.828 ( 0.001 -0.863 0.000) 0.863 15.830 ( -0.001 -0.968 -0.000) 0.968 15.830 ( 0.000 -0.968 0.000) 0.968 21.322 ( 0.000 -3.114 -0.000) 3.114 21.322 ( 0.000 -3.114 0.000) 3.114 21.336 ( -0.000 -3.678 -0.000) 3.678 21.336 ( -0.000 -3.678 0.000) 3.678 24.709 ( 0.000 -1.327 -0.000) 1.327 24.709 ( 0.000 -1.327 0.000) 1.327 24.861 ( -0.000 -4.782 0.000) 4.782 24.861 ( 0.000 -4.782 0.000) 4.782 26.754 ( -0.000 4.098 0.000) 4.098 26.754 ( -0.000 4.098 0.000) 4.098 26.773 ( 0.000 3.594 -0.000) 3.594 26.773 ( 0.000 3.594 0.000) 3.594 ======================= Grid point 264 (79/90) ======================= q-point: ( 0.00 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.490 ( 0.000 -5.621 -6.733) 8.771 0.490 ( 0.000 -5.621 6.733) 8.771 1.136 ( 0.000 -4.938 -1.574) 5.183 1.136 ( 0.000 -4.938 1.574) 5.183 1.244 ( 0.000 -1.214 -0.342) 1.261 1.244 ( 0.000 -1.214 0.342) 1.261 1.386 ( 0.000 7.359 -0.211) 7.362 1.386 ( 0.000 7.359 0.211) 7.362 1.720 ( 0.000 10.862 -5.034) 11.972 1.720 ( 0.000 10.862 5.034) 11.972 1.819 ( 0.000 8.622 -1.748) 8.798 1.819 ( 0.000 8.622 1.748) 8.798 2.215 ( 0.000 4.353 -2.608) 5.075 2.215 ( 0.000 4.353 2.608) 5.075 2.593 ( 0.000 -1.306 -0.146) 1.314 2.593 ( 0.000 -1.306 0.146) 1.314 2.662 ( 0.000 -2.763 -1.617) 3.201 2.662 ( 0.000 -2.763 1.617) 3.201 2.900 ( 0.000 3.627 -0.791) 3.712 2.900 ( 0.000 3.627 0.791) 3.712 3.266 ( 0.000 4.922 -0.624) 4.962 3.266 ( 0.000 4.922 0.624) 4.962 3.663 ( 0.000 0.651 -10.997) 11.016 3.663 ( 0.000 0.651 10.997) 11.016 3.886 ( 0.000 -5.819 -4.331) 7.254 3.886 ( 0.000 -5.819 4.331) 7.254 5.689 ( 0.000 -1.273 -0.909) 1.564 5.689 ( 0.000 -1.273 0.909) 1.564 5.800 ( 0.000 1.100 -0.279) 1.135 5.800 ( 0.000 1.100 0.279) 1.135 7.322 ( 0.000 -1.509 -1.809) 2.356 7.322 ( 0.000 -1.509 1.809) 2.356 7.869 ( 0.000 -0.024 -0.102) 0.105 7.869 ( 0.000 -0.024 0.102) 0.105 8.311 ( 0.000 -1.305 -0.890) 1.579 8.311 ( 0.000 -1.305 0.890) 1.579 8.787 ( 0.000 0.179 -0.742) 0.763 8.787 ( 0.000 0.179 0.742) 0.763 11.131 ( 0.000 0.483 -0.324) 0.582 11.131 ( 0.000 0.483 0.324) 0.582 11.929 ( 0.000 -0.624 -0.101) 0.632 11.929 ( 0.000 -0.624 0.101) 0.632 12.218 ( 0.000 0.290 -0.127) 0.317 12.218 ( 0.000 0.290 0.127) 0.317 13.178 ( 0.000 -0.296 -0.684) 0.745 13.178 ( 0.000 -0.296 0.684) 0.745 17.813 ( 0.000 -0.273 -0.157) 0.316 17.813 ( 0.000 -0.273 0.157) 0.316 18.951 ( 0.000 0.027 -0.010) 0.029 18.951 ( 0.000 0.027 0.010) 0.029 21.486 ( 0.000 -0.500 -0.329) 0.598 21.486 ( 0.000 -0.500 0.329) 0.598 23.774 ( 0.000 -14.467 -11.120) 18.247 23.774 ( 0.000 -14.467 11.120) 18.247 24.965 ( 0.000 -0.602 -0.107) 0.612 24.965 ( 0.000 -0.602 0.107) 0.612 27.013 ( 0.000 7.410 -1.252) 7.515 27.013 ( 0.000 7.410 1.252) 7.515 28.302 ( 0.000 7.019 -11.989) 13.893 28.302 ( 0.000 7.019 11.989) 13.893 ======================= Grid point 266 (80/90) ======================= q-point: ( 0.10 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.593 ( 9.315 -4.376 -4.084) 11.073 0.593 ( 9.315 -4.376 4.084) 11.073 1.150 ( -1.318 3.492 -1.163) 3.909 1.150 ( -1.318 3.492 1.163) 3.909 1.266 ( 1.751 -0.566 -1.398) 2.311 1.266 ( 1.751 -0.566 1.398) 2.311 1.337 ( -0.685 0.162 -2.778) 2.866 1.337 ( -0.685 0.162 2.778) 2.866 1.727 ( 0.840 8.829 -5.063) 10.212 1.727 ( 0.840 8.829 5.063) 10.212 1.931 ( 8.454 8.297 -1.640) 11.958 1.931 ( 8.454 8.297 1.640) 11.958 2.187 ( -3.035 3.510 -1.616) 4.913 2.187 ( -3.035 3.510 1.616) 4.913 2.608 ( 0.161 -1.051 -1.087) 1.520 2.608 ( 0.161 -1.051 1.087) 1.520 2.828 ( 9.888 -2.155 -0.328) 10.125 2.828 ( 9.888 -2.155 0.328) 10.125 2.902 ( 6.090 1.186 -0.399) 6.217 2.902 ( 6.090 1.186 0.399) 6.217 3.282 ( 1.212 5.853 -0.698) 6.017 3.282 ( 1.212 5.853 0.698) 6.017 3.600 ( -5.840 0.553 -8.574) 10.389 3.600 ( -5.840 0.553 8.574) 10.389 3.862 ( -0.572 -3.792 -4.808) 6.150 3.862 ( -0.572 -3.792 4.808) 6.150 5.784 ( 3.530 -0.365 -0.808) 3.640 5.784 ( 3.530 -0.365 0.808) 3.640 5.807 ( 5.309 -0.182 -1.187) 5.443 5.807 ( 5.309 -0.182 1.187) 5.443 7.341 ( 1.933 -1.845 -2.554) 3.696 7.341 ( 1.933 -1.845 2.554) 3.696 7.694 ( -13.946 -0.121 -0.241) 13.948 7.694 ( -13.946 -0.121 0.241) 13.948 8.332 ( 2.016 -1.251 -0.909) 2.541 8.332 ( 2.016 -1.251 0.909) 2.541 8.970 ( 14.981 0.707 -0.635) 15.011 8.970 ( 14.981 0.707 0.635) 15.011 11.098 ( -3.087 0.690 -0.444) 3.194 11.098 ( -3.087 0.690 0.444) 3.194 11.817 ( -10.588 -0.350 -0.063) 10.594 11.817 ( -10.588 -0.350 0.063) 10.594 12.000 ( -17.545 -0.294 -0.986) 17.575 12.000 ( -17.545 -0.294 0.986) 17.575 13.457 ( 23.053 -0.481 -1.274) 23.093 13.457 ( 23.053 -0.481 1.274) 23.093 17.679 ( -12.307 -0.227 -0.214) 12.311 17.679 ( -12.307 -0.227 0.214) 12.311 19.193 ( 21.724 -1.663 -1.623) 21.848 19.193 ( 21.724 -1.663 1.623) 21.848 21.556 ( 5.881 -0.559 -0.465) 5.926 21.556 ( 5.881 -0.559 0.465) 5.926 23.799 ( 2.757 -13.202 -10.254) 16.942 23.799 ( 2.757 -13.202 10.254) 16.942 24.972 ( 0.655 -0.718 -0.343) 1.030 24.972 ( 0.655 -0.718 0.343) 1.030 26.976 ( -3.350 6.832 -1.009) 7.676 26.976 ( -3.350 6.832 1.009) 7.676 28.147 ( -14.020 7.639 -9.941) 18.807 28.147 ( -14.020 7.639 9.941) 18.807 ======================= Grid point 268 (81/90) ======================= q-point: ( 0.20 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( 9.574 -1.183 -1.580) 9.775 0.822 ( 9.574 -1.183 1.580) 9.775 1.068 ( -1.678 8.051 -4.694) 9.469 1.068 ( -1.678 8.051 4.694) 9.469 1.307 ( 2.350 -0.815 -1.848) 3.099 1.307 ( 2.350 -0.815 1.848) 3.099 1.425 ( 6.309 -5.976 -1.685) 8.852 1.425 ( 6.309 -5.976 1.685) 8.852 1.751 ( 1.375 7.344 -3.071) 8.078 1.751 ( 1.375 7.344 3.071) 8.078 2.031 ( -3.872 4.028 -0.593) 5.619 2.031 ( -3.872 4.028 0.593) 5.619 2.152 ( 4.086 1.827 -1.894) 4.861 2.152 ( 4.086 1.827 1.894) 4.861 2.623 ( 1.729 -0.771 -1.513) 2.424 2.623 ( 1.729 -0.771 1.513) 2.424 2.818 ( -2.599 2.986 -1.474) 4.224 2.818 ( -2.599 2.986 1.474) 4.224 3.211 ( 7.811 -1.909 -0.602) 8.064 3.211 ( 7.811 -1.909 0.602) 8.064 3.314 ( 2.994 3.278 -1.070) 4.566 3.314 ( 2.994 3.278 1.070) 4.566 3.451 ( -7.297 1.618 -2.323) 7.827 3.451 ( -7.297 1.618 2.323) 7.827 3.981 ( 15.635 -0.657 -1.676) 15.739 3.981 ( 15.635 -0.657 1.676) 15.739 5.769 ( -1.805 -2.170 -1.861) 3.381 5.769 ( -1.805 -2.170 1.861) 3.381 6.035 ( 12.350 1.468 -1.942) 12.588 6.035 ( 12.350 1.468 1.942) 12.588 7.355 ( -10.571 -0.831 -1.007) 10.651 7.355 ( -10.571 -0.831 1.007) 10.651 7.441 ( 1.120 -1.495 -2.464) 3.092 7.441 ( 1.120 -1.495 2.464) 3.092 8.391 ( 3.428 -1.129 -1.063) 3.762 8.391 ( 3.428 -1.129 1.063) 3.762 9.327 ( 18.251 1.396 -0.476) 18.310 9.327 ( 18.251 1.396 0.476) 18.310 11.004 ( -5.979 1.090 -0.524) 6.101 11.004 ( -5.979 1.090 0.524) 6.101 11.508 ( -18.371 0.126 -0.120) 18.372 11.508 ( -18.371 0.126 0.120) 18.372 11.585 ( -21.120 -0.991 -1.780) 21.218 11.585 ( -21.120 -0.991 1.780) 21.218 14.019 ( 29.361 -0.999 -1.076) 29.398 14.019 ( 29.361 -0.999 1.076) 29.398 17.333 ( -20.103 -0.150 -0.281) 20.106 17.333 ( -20.103 -0.150 0.281) 20.106 19.755 ( 29.785 -4.038 -4.026) 30.326 19.755 ( 29.785 -4.038 4.026) 30.326 21.677 ( 4.364 -0.798 -0.663) 4.486 21.677 ( 4.364 -0.798 0.663) 4.486 23.906 ( 7.891 -9.869 -7.995) 14.953 23.906 ( 7.891 -9.869 7.995) 14.953 24.989 ( 0.769 -1.016 -0.797) 1.503 24.989 ( 0.769 -1.016 0.797) 1.503 26.886 ( -4.843 5.339 -0.459) 7.223 26.886 ( -4.843 5.339 0.459) 7.223 27.777 ( -20.053 7.820 -5.886) 22.314 27.777 ( -20.053 7.820 5.886) 22.314 ======================= Grid point 270 (82/90) ======================= q-point: ( 0.30 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( -1.964 5.143 -2.116) 5.898 0.854 ( -1.964 5.143 2.116) 5.898 1.219 ( 8.021 -1.085 -4.080) 9.064 1.219 ( 8.021 -1.085 4.080) 9.064 1.383 ( 7.419 -3.553 -4.182) 9.228 1.383 ( 7.419 -3.553 4.182) 9.228 1.512 ( 1.452 -4.791 -3.192) 5.937 1.512 ( 1.452 -4.791 3.192) 5.937 1.777 ( 0.125 4.082 -2.100) 4.592 1.777 ( 0.125 4.082 2.100) 4.592 1.920 ( -2.681 1.248 -2.400) 3.808 1.920 ( -2.681 1.248 2.400) 3.808 2.239 ( 2.604 1.075 -2.652) 3.870 2.239 ( 2.604 1.075 2.652) 3.870 2.676 ( 1.572 3.175 -2.574) 4.379 2.676 ( 1.572 3.175 2.574) 4.379 2.765 ( -1.116 -0.323 -2.499) 2.756 2.765 ( -1.116 -0.323 2.499) 2.756 3.220 ( -2.099 6.285 -0.513) 6.646 3.220 ( -2.099 6.285 0.513) 6.646 3.297 ( -5.008 -1.646 -1.932) 5.614 3.297 ( -5.008 -1.646 1.932) 5.614 3.346 ( -3.784 0.799 -1.642) 4.201 3.346 ( -3.784 0.799 1.642) 4.201 4.480 ( 27.595 -1.075 -1.985) 27.688 4.480 ( 27.595 -1.075 1.985) 27.688 5.709 ( -4.117 -4.523 -3.341) 6.969 5.709 ( -4.117 -4.523 3.341) 6.969 6.287 ( 11.563 4.047 -1.574) 12.351 6.287 ( 11.563 4.047 1.574) 12.351 7.087 ( -11.811 1.084 -0.571) 11.874 7.087 ( -11.811 1.084 0.571) 11.874 7.596 ( 10.957 -2.548 -3.024) 11.649 7.596 ( 10.957 -2.548 3.024) 11.649 8.456 ( 2.105 -1.187 -1.360) 2.773 8.456 ( 2.105 -1.187 1.360) 2.773 9.706 ( 17.917 1.867 -0.350) 18.018 9.706 ( 17.917 1.867 0.350) 18.018 10.848 ( -9.168 1.419 -0.552) 9.293 10.848 ( -9.168 1.419 0.552) 9.293 11.097 ( -19.764 0.373 -0.180) 19.769 11.097 ( -19.764 0.373 0.180) 19.769 11.155 ( -19.535 -1.340 -1.908) 19.674 11.155 ( -19.535 -1.340 1.908) 19.674 14.639 ( 29.653 -1.163 -0.598) 29.681 14.639 ( 29.653 -1.163 0.598) 29.681 16.871 ( -23.822 -0.149 -0.255) 23.824 16.871 ( -23.822 -0.149 0.255) 23.824 20.358 ( 27.211 -4.460 -4.591) 27.953 20.358 ( 27.211 -4.460 4.591) 27.953 21.696 ( -3.000 -1.135 -0.858) 3.320 21.696 ( -3.000 -1.135 0.858) 3.320 24.132 ( 13.532 -5.998 -5.373) 15.747 24.132 ( 13.532 -5.998 5.373) 15.747 24.990 ( -1.207 -1.344 -1.254) 2.199 24.990 ( -1.207 -1.344 1.254) 2.199 26.794 ( -3.503 3.570 -0.097) 5.003 26.794 ( -3.503 3.570 0.097) 5.003 27.366 ( -18.463 6.203 -2.678) 19.661 27.366 ( -18.463 6.203 2.678) 19.661 ======================= Grid point 272 (83/90) ======================= q-point: ( 0.40 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( 2.723 -0.409 -0.859) 2.885 0.855 ( 2.723 -0.409 0.859) 2.885 1.177 ( -8.840 -4.721 -2.889) 10.430 1.177 ( -8.840 -4.721 2.889) 10.430 1.512 ( 2.879 0.908 -1.623) 3.428 1.512 ( 2.879 0.908 1.623) 3.428 1.648 ( 4.720 -2.704 -0.206) 5.444 1.648 ( 4.720 -2.704 0.206) 5.444 1.766 ( 6.183 0.026 -1.211) 6.300 1.766 ( 6.183 0.026 1.211) 6.300 1.963 ( 4.096 -0.906 -1.954) 4.628 1.963 ( 4.096 -0.906 1.954) 4.628 2.267 ( 0.922 0.996 -3.191) 3.468 2.267 ( 0.922 0.996 3.191) 3.468 2.579 ( -9.179 2.102 -0.741) 9.446 2.579 ( -9.179 2.102 0.741) 9.446 2.849 ( 6.714 -0.255 -1.783) 6.951 2.849 ( 6.714 -0.255 1.783) 6.951 3.177 ( -2.683 3.543 -0.504) 4.473 3.177 ( -2.683 3.543 0.504) 4.473 3.203 ( -3.237 1.262 -2.472) 4.264 3.203 ( -3.237 1.262 2.472) 4.264 3.247 ( -4.505 1.764 -1.436) 5.047 3.247 ( -4.505 1.764 1.436) 5.047 5.002 ( 21.265 -2.478 -2.729) 21.582 5.002 ( 21.265 -2.478 2.729) 21.582 5.590 ( -7.506 -5.672 -3.827) 10.157 5.590 ( -7.506 -5.672 3.827) 10.157 6.509 ( 9.756 5.067 -0.968) 11.036 6.509 ( 9.756 5.067 0.968) 11.036 6.875 ( -8.866 2.643 -0.817) 9.288 6.875 ( -8.866 2.643 0.817) 9.288 7.883 ( 16.149 -1.932 -2.190) 16.411 7.883 ( 16.149 -1.932 2.190) 16.411 8.437 ( -4.987 -1.364 -1.554) 5.399 8.437 ( -4.987 -1.364 1.554) 5.399 10.062 ( 16.042 2.096 -0.370) 16.182 10.062 ( 16.042 2.096 0.370) 16.182 10.620 ( -12.114 1.213 -0.498) 12.185 10.620 ( -12.114 1.213 0.498) 12.185 10.750 ( -12.331 0.700 -0.238) 12.354 10.750 ( -12.331 0.700 0.238) 12.354 10.808 ( -12.995 -1.308 -2.100) 13.228 10.808 ( -12.995 -1.308 2.100) 13.228 15.242 ( 28.196 -0.961 -0.283) 28.214 15.242 ( 28.196 -0.961 0.283) 28.214 16.356 ( -25.512 -0.307 -0.148) 25.514 16.356 ( -25.512 -0.307 0.148) 25.514 20.869 ( 21.809 -3.447 -3.642) 22.378 20.869 ( 21.809 -3.447 3.642) 22.378 21.552 ( -10.594 -1.499 -1.261) 10.774 21.552 ( -10.594 -1.499 1.261) 10.774 24.439 ( 15.023 -3.113 -3.419) 15.718 24.439 ( 15.023 -3.113 3.419) 15.718 24.919 ( -5.905 -1.745 -1.687) 6.384 24.919 ( -5.905 -1.745 1.687) 6.384 26.760 ( 0.568 2.362 -0.368) 2.457 26.760 ( 0.568 2.362 0.368) 2.457 27.035 ( -13.034 3.899 -1.051) 13.645 27.035 ( -13.034 3.899 1.051) 13.645 ======================= Grid point 274 (84/90) ======================= q-point: (-0.50 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( 0.000 -4.291 -0.000) 4.291 0.971 ( 0.000 -4.291 0.000) 4.291 0.981 ( -0.000 -5.233 0.000) 5.233 0.981 ( -0.000 -5.233 0.000) 5.233 1.585 ( -0.000 1.878 -0.000) 1.878 1.585 ( -0.000 1.878 0.000) 1.878 1.599 ( -0.000 2.111 -0.000) 2.111 1.599 ( 0.000 2.111 0.000) 2.111 1.924 ( -0.000 -0.901 0.000) 0.901 1.924 ( 0.000 -0.901 0.000) 0.901 2.017 ( 0.000 -4.179 0.000) 4.179 2.017 ( 0.000 -4.179 0.000) 4.179 2.332 ( 0.000 1.716 0.000) 1.716 2.332 ( 0.000 1.716 -0.000) 1.716 2.384 ( -0.000 -0.586 0.000) 0.586 2.384 ( 0.000 -0.586 0.000) 0.586 2.957 ( -0.000 1.726 0.000) 1.726 2.957 ( 0.000 1.726 0.000) 1.726 3.101 ( 0.000 -4.343 -0.000) 4.343 3.101 ( 0.000 -4.343 0.000) 4.343 3.181 ( 0.000 5.390 -0.000) 5.390 3.181 ( 0.000 5.390 0.000) 5.390 3.202 ( 0.000 4.351 -0.000) 4.351 3.202 ( 0.000 4.351 0.000) 4.351 5.309 ( 0.000 -1.754 -0.000) 1.754 5.309 ( 0.000 -1.754 0.000) 1.754 5.428 ( -0.000 -7.202 0.000) 7.202 5.428 ( -0.000 -7.202 0.000) 7.202 6.677 ( -0.000 5.080 0.000) 5.080 6.677 ( 0.000 5.080 0.000) 5.080 6.719 ( -0.000 3.349 0.000) 3.349 6.719 ( 0.000 3.349 0.000) 3.349 8.190 ( -0.000 0.078 0.000) 0.078 8.190 ( 0.000 0.078 0.000) 0.078 8.258 ( -0.000 -2.935 0.000) 2.935 8.258 ( 0.000 -2.935 0.000) 2.935 10.359 ( -0.000 2.016 0.000) 2.016 10.359 ( 0.000 2.016 0.000) 2.016 10.373 ( -0.000 1.769 -0.000) 1.769 10.373 ( 0.001 1.769 -0.000) 1.769 10.617 ( 0.000 0.085 -0.000) 0.085 10.617 ( 0.000 0.085 0.000) 0.085 10.654 ( 0.000 -1.075 -0.000) 1.075 10.654 ( 0.000 -1.075 0.000) 1.075 15.812 ( -0.001 -0.588 0.000) 0.588 15.812 ( 0.003 -0.588 -0.000) 0.588 15.813 ( -0.003 -0.641 -0.000) 0.641 15.813 ( 0.001 -0.641 0.000) 0.641 21.265 ( 0.000 -2.081 -0.000) 2.081 21.265 ( 0.000 -2.081 -0.000) 2.081 21.270 ( -0.000 -2.403 0.000) 2.403 21.270 ( -0.000 -2.403 -0.000) 2.403 24.691 ( -0.000 -0.162 0.000) 0.162 24.691 ( 0.000 -0.162 0.000) 0.162 24.768 ( -0.000 -3.854 0.000) 3.854 24.768 ( 0.000 -3.854 0.000) 3.854 26.827 ( -0.000 2.630 0.000) 2.630 26.827 ( -0.000 2.630 -0.000) 2.630 26.835 ( 0.000 2.183 -0.000) 2.183 26.835 ( 0.000 2.183 0.000) 2.183 ======================= Grid point 286 (85/90) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.426 ( 0.000 0.000 0.000) 0.000 0.426 ( 0.000 0.000 0.000) 0.000 1.070 ( 0.000 0.000 0.000) 0.000 1.070 ( 0.000 0.000 0.000) 0.000 1.231 ( 0.000 0.000 0.000) 0.000 1.231 ( 0.000 0.000 0.000) 0.000 1.477 ( 0.000 0.000 0.000) 0.000 1.477 ( 0.000 0.000 0.000) 0.000 1.821 ( 0.000 0.000 0.000) 0.000 1.821 ( 0.000 0.000 0.000) 0.000 1.928 ( 0.000 0.000 -0.000) 0.000 1.929 ( 0.000 0.000 0.000) 0.000 2.258 ( 0.000 -0.000 0.000) 0.000 2.258 ( 0.000 0.000 -0.000) 0.000 2.595 ( 0.000 0.000 0.000) 0.000 2.595 ( 0.000 0.000 0.000) 0.000 2.613 ( 0.000 0.000 -0.000) 0.000 2.613 ( 0.000 0.000 0.000) 0.000 2.944 ( 0.000 0.000 0.000) 0.000 2.944 ( 0.000 0.000 0.000) 0.000 3.332 ( 0.000 -0.000 -0.000) 0.000 3.332 ( 0.000 -0.000 0.000) 0.000 3.664 ( 0.000 0.000 0.000) 0.000 3.664 ( 0.000 0.000 0.000) 0.000 3.810 ( 0.000 -0.000 -0.000) 0.000 3.810 ( 0.000 0.000 -0.000) 0.000 5.674 ( 0.000 0.000 -0.000) 0.000 5.674 ( 0.000 0.000 0.000) 0.000 5.812 ( 0.000 0.000 0.000) 0.000 5.812 ( 0.000 0.000 0.000) 0.000 7.307 ( 0.000 0.000 0.000) 0.000 7.307 ( 0.000 0.000 0.000) 0.000 7.869 ( 0.000 0.000 0.000) 0.000 7.869 ( 0.000 0.000 0.000) 0.000 8.297 ( 0.000 0.000 0.000) 0.000 8.297 ( 0.000 0.000 0.000) 0.000 8.789 ( 0.000 0.000 0.000) 0.000 8.789 ( 0.000 0.000 0.000) 0.000 11.135 ( 0.000 0.000 0.000) 0.000 11.135 ( 0.000 0.000 0.000) 0.000 11.923 ( 0.000 0.000 0.000) 0.000 11.923 ( 0.000 0.000 0.000) 0.000 12.221 ( 0.000 0.000 0.000) 0.000 12.221 ( 0.000 0.000 0.000) 0.000 13.175 ( 0.000 0.000 0.000) 0.000 13.175 ( 0.000 0.000 0.000) 0.000 17.810 ( 0.000 0.000 0.000) 0.000 17.810 ( 0.000 0.000 0.000) 0.000 18.951 ( 0.000 0.000 0.000) 0.000 18.951 ( 0.000 0.000 0.000) 0.000 21.481 ( 0.000 0.000 0.000) 0.000 21.481 ( 0.000 0.000 0.000) 0.000 23.622 ( 0.000 0.000 0.000) 0.000 23.622 ( 0.000 0.000 0.000) 0.000 24.959 ( 0.000 0.000 0.000) 0.000 24.959 ( 0.000 0.000 0.000) 0.000 27.093 ( 0.000 0.000 0.000) 0.000 27.093 ( 0.000 0.000 0.000) 0.000 28.372 ( 0.000 0.000 0.000) 0.000 28.372 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 290 (86/90) ======================= q-point: ( 0.10 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.547 ( 10.337 0.000 0.000) 10.337 0.547 ( 10.337 0.000 0.000) 10.337 1.147 ( 6.566 0.000 0.000) 6.566 1.147 ( 6.566 0.000 0.000) 6.566 1.256 ( 2.267 0.000 0.000) 2.267 1.256 ( 2.267 0.000 0.000) 2.267 1.384 ( -7.665 0.000 -0.000) 7.665 1.384 ( -7.665 0.000 0.000) 7.665 1.820 ( 0.539 0.000 0.000) 0.539 1.820 ( 0.539 0.000 0.000) 0.539 2.029 ( 7.454 0.000 0.000) 7.454 2.029 ( 7.454 0.000 0.000) 7.454 2.220 ( -5.155 0.000 0.000) 5.155 2.220 ( -5.155 0.000 0.000) 5.155 2.593 ( 0.006 0.000 0.000) 0.006 2.593 ( 0.006 0.000 0.000) 0.006 2.783 ( 14.122 0.000 0.000) 14.122 2.783 ( 14.122 0.000 0.000) 14.122 2.933 ( 0.804 0.000 0.000) 0.804 2.933 ( 0.804 0.000 0.000) 0.804 3.362 ( 2.292 -0.000 -0.000) 2.292 3.362 ( 2.292 -0.000 0.000) 2.292 3.592 ( -6.177 0.000 0.000) 6.177 3.592 ( -6.177 0.000 0.000) 6.177 3.818 ( 1.608 0.000 -0.000) 1.608 3.818 ( 1.608 0.000 -0.000) 1.608 5.778 ( 5.422 0.000 0.000) 5.422 5.778 ( 5.422 0.000 0.000) 5.422 5.806 ( 3.168 0.000 0.000) 3.168 5.806 ( 3.168 0.000 0.000) 3.168 7.322 ( 1.616 0.000 0.000) 1.616 7.322 ( 1.616 0.000 0.000) 1.616 7.692 ( -13.945 0.000 0.000) 13.945 7.692 ( -13.945 0.000 0.000) 13.945 8.319 ( 2.078 0.000 0.000) 2.078 8.319 ( 2.078 0.000 0.000) 2.078 8.978 ( 15.380 0.000 0.000) 15.380 8.978 ( 15.380 0.000 0.000) 15.380 11.105 ( -2.887 0.000 0.000) 2.887 11.105 ( -2.887 0.000 0.000) 2.887 11.813 ( -10.342 0.000 0.000) 10.342 11.813 ( -10.342 0.000 0.000) 10.342 11.997 ( -17.990 0.000 0.000) 17.990 11.997 ( -17.990 0.000 0.000) 17.990 13.453 ( 22.830 0.000 0.000) 22.830 13.453 ( 22.830 0.000 0.000) 22.830 17.677 ( -12.267 0.000 0.000) 12.267 17.677 ( -12.267 0.000 0.000) 12.267 19.177 ( 20.356 0.000 0.000) 20.356 19.177 ( 20.356 0.000 0.000) 20.356 21.550 ( 5.809 0.000 0.000) 5.809 21.550 ( 5.809 0.000 0.000) 5.809 23.661 ( 3.973 0.000 0.000) 3.973 23.661 ( 3.973 0.000 0.000) 3.973 24.965 ( 0.547 0.000 0.000) 0.547 24.965 ( 0.547 0.000 0.000) 0.547 27.050 ( -3.936 0.000 0.000) 3.936 27.050 ( -3.936 0.000 0.000) 3.936 28.224 ( -13.575 0.000 0.000) 13.575 28.224 ( -13.575 0.000 0.000) 13.575 ======================= Grid point 294 (87/90) ======================= q-point: ( 0.20 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.801 ( 12.572 0.000 0.000) 12.572 0.801 ( 12.572 0.000 0.000) 12.572 1.216 ( -6.738 0.000 0.000) 6.738 1.216 ( -6.738 0.000 0.000) 6.738 1.265 ( 2.858 -0.000 0.000) 2.858 1.265 ( 2.858 0.000 -0.000) 2.858 1.349 ( 7.052 0.000 0.000) 7.052 1.349 ( 7.052 0.000 0.000) 7.052 1.837 ( 0.616 0.000 0.000) 0.616 1.837 ( 0.616 0.000 0.000) 0.616 2.058 ( -8.950 0.000 -0.000) 8.950 2.058 ( -8.950 0.000 0.000) 8.950 2.176 ( 5.774 0.000 0.000) 5.774 2.176 ( 5.774 0.000 0.000) 5.774 2.613 ( 2.391 0.000 0.000) 2.391 2.613 ( 2.391 0.000 0.000) 2.391 2.849 ( -2.578 0.000 0.000) 2.578 2.849 ( -2.578 0.000 0.000) 2.578 3.165 ( 10.661 0.000 0.000) 10.661 3.165 ( 10.661 0.000 0.000) 10.661 3.400 ( 0.571 -0.000 -0.000) 0.571 3.400 ( 0.571 -0.000 0.000) 0.571 3.446 ( -7.047 0.000 0.000) 7.047 3.446 ( -7.047 0.000 0.000) 7.047 3.973 ( 16.529 0.000 -0.000) 16.529 3.973 ( 16.529 0.000 0.000) 16.529 5.745 ( -3.181 0.000 0.000) 3.181 5.745 ( -3.181 0.000 0.000) 3.181 6.051 ( 13.779 0.000 -0.000) 13.779 6.051 ( 13.779 0.000 0.000) 13.779 7.344 ( -7.381 0.000 0.000) 7.381 7.344 ( -7.381 0.000 0.000) 7.381 7.428 ( -2.016 0.000 0.000) 2.016 7.428 ( -2.016 0.000 0.000) 2.016 8.379 ( 3.439 0.000 0.000) 3.439 8.379 ( 3.439 0.000 0.000) 3.439 9.342 ( 18.563 0.000 0.000) 18.563 9.342 ( 18.563 0.000 0.000) 18.563 11.016 ( -5.751 0.000 0.000) 5.751 11.016 ( -5.751 0.000 0.000) 5.751 11.511 ( -18.028 0.000 0.000) 18.028 11.511 ( -18.028 0.000 0.000) 18.028 11.573 ( -21.553 0.000 0.000) 21.553 11.573 ( -21.553 0.000 0.000) 21.553 14.009 ( 29.133 0.000 -0.000) 29.133 14.009 ( 29.133 0.000 0.000) 29.133 17.332 ( -20.075 0.000 0.000) 20.075 17.332 ( -20.075 0.000 0.000) 20.075 19.713 ( 28.985 0.000 0.000) 28.985 19.713 ( 28.985 0.000 0.000) 28.985 21.669 ( 4.194 0.000 0.000) 4.194 21.669 ( 4.194 0.000 0.000) 4.194 23.802 ( 9.842 0.000 0.000) 9.842 23.802 ( 9.842 0.000 0.000) 9.842 24.979 ( 0.604 0.000 0.000) 0.604 24.979 ( 0.604 0.000 0.000) 0.604 26.944 ( -5.768 0.000 0.000) 5.768 26.944 ( -5.768 0.000 0.000) 5.768 27.856 ( -20.347 0.000 0.000) 20.347 27.856 ( -20.347 0.000 0.000) 20.347 ======================= Grid point 298 (88/90) ======================= q-point: ( 0.30 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( -2.566 0.000 0.000) 2.566 0.921 ( -2.566 0.000 0.000) 2.566 1.269 ( 13.689 0.000 -0.000) 13.689 1.269 ( 13.689 0.000 0.000) 13.689 1.271 ( -3.170 -0.000 -0.000) 3.170 1.271 ( -3.170 0.000 0.000) 3.170 1.464 ( 3.127 0.000 0.000) 3.127 1.464 ( 3.127 0.000 0.000) 3.127 1.827 ( -1.816 -0.000 -0.000) 1.816 1.827 ( -1.816 0.000 0.000) 1.816 1.925 ( -2.084 0.000 -0.000) 2.084 1.925 ( -2.084 -0.000 0.000) 2.084 2.254 ( 1.927 -0.000 0.000) 1.927 2.254 ( 1.927 0.000 0.000) 1.927 2.704 ( 6.139 0.000 -0.000) 6.139 2.704 ( 6.139 0.000 0.000) 6.139 2.767 ( -5.592 -0.000 -0.000) 5.592 2.767 ( -5.592 0.000 0.000) 5.592 3.238 ( -1.341 0.000 -0.000) 1.341 3.238 ( -1.341 0.000 0.000) 1.341 3.323 ( -4.525 -0.000 0.000) 4.525 3.323 ( -4.525 0.000 0.000) 4.525 3.361 ( -3.967 0.000 0.000) 3.967 3.361 ( -3.967 0.000 0.000) 3.967 4.468 ( 26.879 0.000 0.000) 26.879 4.468 ( 26.879 0.000 0.000) 26.879 5.660 ( -5.092 0.000 0.000) 5.092 5.660 ( -5.092 0.000 0.000) 5.092 6.331 ( 12.610 0.000 -0.000) 12.610 6.331 ( 12.610 0.000 0.000) 12.610 7.099 ( -11.033 0.000 0.000) 11.033 7.099 ( -11.033 0.000 0.000) 11.033 7.568 ( 11.001 0.000 0.000) 11.001 7.568 ( 11.001 0.000 0.000) 11.001 8.443 ( 2.032 0.000 0.000) 2.032 8.443 ( 2.032 0.000 0.000) 2.032 9.727 ( 18.110 0.000 0.000) 18.110 9.727 ( 18.110 0.000 0.000) 18.110 10.863 ( -9.087 0.000 0.000) 9.087 10.863 ( -9.087 0.000 0.000) 9.087 11.105 ( -19.547 -0.000 0.000) 19.547 11.105 ( -19.547 0.000 0.000) 19.547 11.136 ( -19.723 -0.000 0.000) 19.723 11.136 ( -19.723 0.000 0.000) 19.723 14.627 ( 29.656 0.000 -0.000) 29.656 14.627 ( 29.656 0.000 0.000) 29.656 16.869 ( -23.859 0.000 0.000) 23.859 16.869 ( -23.859 0.000 0.000) 23.859 20.311 ( 27.439 0.000 0.000) 27.439 20.311 ( 27.439 0.000 0.000) 27.439 21.684 ( -3.161 0.000 0.000) 3.161 21.684 ( -3.161 0.000 0.000) 3.161 24.068 ( 15.292 0.000 0.000) 15.292 24.068 ( 15.292 0.000 0.000) 15.292 24.976 ( -1.374 0.000 0.000) 1.374 24.976 ( -1.374 0.000 0.000) 1.374 26.833 ( -4.357 0.000 0.000) 4.357 26.833 ( -4.357 0.000 0.000) 4.357 27.430 ( -19.525 0.000 0.000) 19.525 27.430 ( -19.525 0.000 0.000) 19.525 ======================= Grid point 302 (89/90) ======================= q-point: ( 0.40 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( -0.819 0.000 0.000) 0.819 0.864 ( -0.819 0.000 0.000) 0.819 1.114 ( -10.345 0.000 -0.000) 10.345 1.114 ( -10.345 0.000 0.000) 10.345 1.525 ( 3.640 -0.000 -0.000) 3.640 1.525 ( 3.640 0.000 0.000) 3.640 1.598 ( 12.674 0.000 0.000) 12.674 1.598 ( 12.674 0.000 0.000) 12.674 1.782 ( 0.469 0.000 0.000) 0.469 1.782 ( 0.469 0.000 0.000) 0.469 1.953 ( 2.646 0.000 0.000) 2.646 1.953 ( 2.646 0.000 0.000) 2.646 2.278 ( 1.179 -0.000 -0.000) 1.179 2.278 ( 1.179 0.000 0.000) 1.179 2.597 ( -10.891 0.000 0.000) 10.891 2.597 ( -10.891 0.000 0.000) 10.891 2.851 ( 7.710 0.000 0.000) 7.710 2.851 ( 7.710 0.000 0.000) 7.710 3.161 ( -5.807 -0.000 0.000) 5.807 3.161 ( -5.807 0.000 0.000) 5.807 3.259 ( -1.688 -0.000 -0.000) 1.688 3.259 ( -1.688 0.000 0.000) 1.688 3.277 ( -3.020 0.000 -0.000) 3.020 3.277 ( -3.020 0.000 0.000) 3.020 4.976 ( 20.707 0.000 0.000) 20.707 4.976 ( 20.707 0.000 0.000) 20.707 5.528 ( -7.791 0.000 0.000) 7.791 5.528 ( -7.791 0.000 0.000) 7.791 6.564 ( 9.773 0.000 -0.000) 9.773 6.564 ( 9.773 0.000 0.000) 9.773 6.903 ( -8.100 0.000 0.000) 8.100 6.903 ( -8.100 0.000 0.000) 8.100 7.862 ( 16.643 0.000 0.000) 16.643 7.862 ( 16.643 0.000 0.000) 16.643 8.422 ( -5.133 0.000 0.000) 5.133 8.422 ( -5.133 0.000 0.000) 5.133 10.085 ( 16.103 0.000 0.000) 16.103 10.085 ( 16.103 0.000 0.000) 16.103 10.632 ( -12.212 0.000 -0.000) 12.212 10.632 ( -12.212 0.000 0.000) 12.212 10.768 ( -11.947 -0.000 0.000) 11.947 10.768 ( -11.947 0.000 0.000) 11.947 10.784 ( -13.216 -0.000 -0.000) 13.216 10.784 ( -13.216 0.000 -0.000) 13.216 15.231 ( 28.347 0.000 -0.000) 28.347 15.231 ( 28.347 0.000 0.000) 28.347 16.352 ( -25.639 0.000 0.000) 25.639 16.352 ( -25.639 0.000 0.000) 25.639 20.832 ( 22.455 0.000 0.000) 22.455 20.832 ( 22.455 0.000 0.000) 22.455 21.536 ( -10.849 0.000 0.000) 10.849 21.536 ( -10.849 0.000 0.000) 10.849 24.405 ( 16.191 0.000 0.000) 16.191 24.405 ( 16.191 0.000 0.000) 16.191 24.901 ( -6.238 0.000 0.000) 6.238 24.901 ( -6.238 0.000 0.000) 6.238 26.785 ( 0.215 0.000 0.000) 0.215 26.785 ( 0.215 0.000 0.000) 0.215 27.076 ( -14.055 0.000 0.000) 14.055 27.076 ( -14.055 0.000 0.000) 14.055 ======================= Grid point 306 (90/90) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( -6.651 -0.001 0.000) 6.651 0.923 ( -6.651 -0.001 0.000) 6.651 0.923 ( 6.651 0.001 -0.000) 6.651 0.923 ( 6.651 0.001 0.000) 6.651 1.613 ( -4.188 -0.184 -0.000) 4.192 1.613 ( -4.188 -0.184 0.000) 4.192 1.613 ( 4.188 0.184 -0.000) 4.192 1.613 ( 4.188 0.184 0.000) 4.192 1.944 ( -4.444 -1.729 0.000) 4.769 1.944 ( -4.444 -1.729 0.000) 4.769 1.944 ( 4.444 1.729 0.000) 4.769 1.944 ( 4.444 1.730 0.000) 4.769 2.364 ( -8.442 -0.362 -0.000) 8.450 2.364 ( -8.442 -0.362 0.000) 8.449 2.364 ( 8.442 0.362 0.000) 8.450 2.364 ( 8.442 0.362 0.000) 8.450 3.015 ( -5.647 -2.497 0.000) 6.175 3.015 ( -5.647 -2.497 0.000) 6.175 3.015 ( 5.647 2.497 -0.000) 6.175 3.015 ( 5.647 2.497 0.000) 6.175 3.245 ( -0.072 -0.495 -0.000) 0.500 3.245 ( -0.072 -0.495 0.000) 0.500 3.245 ( 0.072 0.495 0.000) 0.500 3.245 ( 0.072 0.495 0.000) 0.500 5.320 ( -11.570 -1.229 0.000) 11.635 5.320 ( -11.570 -1.229 0.000) 11.635 5.320 ( 11.570 1.229 0.000) 11.635 5.320 ( 11.570 1.229 0.000) 11.635 6.743 ( -7.445 -0.286 -0.000) 7.451 6.743 ( -7.445 -0.286 0.000) 7.451 6.743 ( 7.445 0.286 0.000) 7.451 6.743 ( 7.445 0.286 0.000) 7.451 8.208 ( -14.499 -0.387 0.000) 14.504 8.208 ( -14.499 -0.387 0.000) 14.504 8.208 ( 14.499 0.387 0.000) 14.504 8.208 ( 14.499 0.387 0.000) 14.504 10.387 ( -12.612 -0.031 0.000) 12.612 10.387 ( -12.612 -0.031 0.000) 12.612 10.387 ( 12.612 0.031 0.000) 12.612 10.387 ( 12.612 0.031 0.000) 12.612 10.630 ( -0.056 -1.066 -0.000) 1.068 10.630 ( -0.056 -1.066 0.000) 1.068 10.630 ( 0.057 1.066 -0.000) 1.068 10.630 ( 0.057 1.066 0.000) 1.068 15.806 ( -26.903 -0.000 -0.000) 26.903 15.806 ( -26.903 -0.000 0.000) 26.903 15.806 ( 26.903 0.000 -0.000) 26.903 15.806 ( 26.903 0.000 0.000) 26.903 21.243 ( -17.046 -0.001 0.000) 17.046 21.243 ( -17.046 -0.001 0.000) 17.046 21.243 ( 17.046 0.001 0.000) 17.046 21.243 ( 17.046 0.001 0.000) 17.046 24.708 ( -11.754 -0.529 0.000) 11.766 24.708 ( -11.754 -0.529 0.000) 11.766 24.708 ( 11.754 0.529 -0.000) 11.766 24.708 ( 11.754 0.529 0.000) 11.766 26.857 ( -6.890 -0.010 0.000) 6.890 26.857 ( -6.890 -0.010 0.000) 6.890 26.857 ( 6.890 0.010 0.000) 6.890 26.857 ( 6.890 0.010 0.000) 6.890 =================== 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 3/19200 10.0 9.324 10.600 5.149 0.000 0.000 0.000 3/19200 20.0 3.371 3.369 1.531 0.000 0.000 0.000 3/19200 30.0 2.070 1.861 0.859 0.000 0.000 0.000 3/19200 40.0 1.556 1.292 0.602 0.000 0.000 0.000 3/19200 50.0 1.300 1.000 0.470 0.000 0.000 0.000 3/19200 60.0 1.166 0.822 0.389 0.000 0.000 0.000 3/19200 70.0 1.106 0.702 0.334 0.000 0.000 0.000 3/19200 80.0 1.098 0.615 0.294 0.000 0.000 0.000 3/19200 90.0 1.128 0.549 0.264 0.000 0.000 0.000 3/19200 100.0 1.186 0.496 0.239 0.000 0.000 0.000 3/19200 110.0 1.258 0.454 0.220 0.000 0.000 0.000 3/19200 120.0 1.337 0.419 0.204 0.000 0.000 0.000 3/19200 130.0 1.414 0.390 0.190 0.000 0.000 0.000 3/19200 140.0 1.485 0.365 0.179 0.000 0.000 0.000 3/19200 150.0 1.546 0.344 0.170 0.000 0.000 0.000 3/19200 160.0 1.598 0.326 0.161 0.000 0.000 0.000 3/19200 170.0 1.638 0.310 0.155 0.000 0.000 0.000 3/19200 180.0 1.669 0.297 0.149 0.000 0.000 0.000 3/19200 190.0 1.691 0.285 0.143 0.000 0.000 0.000 3/19200 200.0 1.704 0.275 0.139 0.000 0.000 0.000 3/19200 210.0 1.710 0.266 0.135 0.000 0.000 -0.000 3/19200 220.0 1.710 0.258 0.131 0.000 0.000 -0.000 3/19200 230.0 1.705 0.251 0.128 0.000 0.000 -0.000 3/19200 240.0 1.696 0.245 0.125 0.000 0.000 -0.000 3/19200 250.0 1.684 0.239 0.122 0.000 0.000 -0.000 3/19200 260.0 1.669 0.234 0.120 0.000 0.000 -0.000 3/19200 270.0 1.651 0.229 0.118 0.000 0.000 -0.000 3/19200 280.0 1.632 0.224 0.116 0.000 0.000 -0.000 3/19200 290.0 1.611 0.220 0.114 0.000 0.000 -0.000 3/19200 300.0 1.590 0.216 0.112 0.000 0.000 -0.000 3/19200 310.0 1.567 0.212 0.110 0.000 0.000 -0.000 3/19200 320.0 1.545 0.209 0.108 0.000 0.000 -0.000 3/19200 330.0 1.521 0.205 0.107 0.000 0.000 -0.000 3/19200 340.0 1.498 0.202 0.105 0.000 0.000 -0.000 3/19200 350.0 1.475 0.199 0.103 0.000 0.000 -0.000 3/19200 360.0 1.452 0.196 0.102 0.000 0.000 -0.000 3/19200 370.0 1.429 0.193 0.100 0.000 0.000 -0.000 3/19200 380.0 1.406 0.190 0.099 0.000 0.000 -0.000 3/19200 390.0 1.383 0.187 0.097 0.000 0.000 -0.000 3/19200 400.0 1.361 0.184 0.096 0.000 0.000 -0.000 3/19200 410.0 1.339 0.182 0.095 0.000 0.000 -0.000 3/19200 420.0 1.318 0.179 0.093 0.000 0.000 -0.000 3/19200 430.0 1.297 0.177 0.092 0.000 0.000 -0.000 3/19200 440.0 1.276 0.174 0.091 0.000 0.000 -0.000 3/19200 450.0 1.256 0.172 0.090 0.000 0.000 -0.000 3/19200 460.0 1.236 0.170 0.088 0.000 0.000 -0.000 3/19200 470.0 1.217 0.167 0.087 0.000 0.000 -0.000 3/19200 480.0 1.198 0.165 0.086 0.000 0.000 -0.000 3/19200 490.0 1.180 0.163 0.085 0.000 0.000 -0.000 3/19200 500.0 1.162 0.161 0.084 0.000 0.000 -0.000 3/19200 510.0 1.144 0.159 0.083 0.000 0.000 -0.000 3/19200 520.0 1.127 0.157 0.081 0.000 0.000 -0.000 3/19200 530.0 1.110 0.155 0.080 0.000 0.000 -0.000 3/19200 540.0 1.094 0.153 0.079 0.000 0.000 -0.000 3/19200 550.0 1.078 0.151 0.078 0.000 0.000 -0.000 3/19200 560.0 1.062 0.149 0.077 0.000 0.000 -0.000 3/19200 570.0 1.047 0.147 0.076 0.000 0.000 -0.000 3/19200 580.0 1.032 0.145 0.075 0.000 0.000 -0.000 3/19200 590.0 1.018 0.143 0.075 0.000 0.000 -0.000 3/19200 600.0 1.004 0.142 0.074 0.000 0.000 -0.000 3/19200 610.0 0.990 0.140 0.073 0.000 0.000 -0.000 3/19200 620.0 0.977 0.138 0.072 0.000 0.000 -0.000 3/19200 630.0 0.963 0.137 0.071 0.000 0.000 -0.000 3/19200 640.0 0.951 0.135 0.070 0.000 0.000 -0.000 3/19200 650.0 0.938 0.133 0.069 0.000 0.000 -0.000 3/19200 660.0 0.926 0.132 0.068 0.000 0.000 -0.000 3/19200 670.0 0.914 0.130 0.068 0.000 0.000 -0.000 3/19200 680.0 0.902 0.129 0.067 0.000 0.000 -0.000 3/19200 690.0 0.891 0.127 0.066 0.000 0.000 -0.000 3/19200 700.0 0.880 0.126 0.065 0.000 0.000 -0.000 3/19200 710.0 0.869 0.125 0.065 0.000 0.000 -0.000 3/19200 720.0 0.858 0.123 0.064 0.000 0.000 -0.000 3/19200 730.0 0.848 0.122 0.063 0.000 0.000 -0.000 3/19200 740.0 0.838 0.121 0.062 0.000 0.000 -0.000 3/19200 750.0 0.828 0.119 0.062 0.000 0.000 -0.000 3/19200 760.0 0.818 0.118 0.061 0.000 0.000 -0.000 3/19200 770.0 0.809 0.117 0.060 0.000 0.000 -0.000 3/19200 780.0 0.799 0.116 0.060 0.000 0.000 -0.000 3/19200 790.0 0.790 0.114 0.059 0.000 0.000 -0.000 3/19200 800.0 0.781 0.113 0.059 0.000 0.000 -0.000 3/19200 810.0 0.773 0.112 0.058 0.000 0.000 -0.000 3/19200 820.0 0.764 0.111 0.057 0.000 0.000 -0.000 3/19200 830.0 0.756 0.110 0.057 0.000 0.000 -0.000 3/19200 840.0 0.747 0.109 0.056 0.000 0.000 -0.000 3/19200 850.0 0.739 0.108 0.056 0.000 0.000 -0.000 3/19200 860.0 0.732 0.106 0.055 0.000 0.000 -0.000 3/19200 870.0 0.724 0.105 0.055 0.000 0.000 -0.000 3/19200 880.0 0.716 0.104 0.054 0.000 0.000 -0.000 3/19200 890.0 0.709 0.103 0.054 0.000 0.000 -0.000 3/19200 900.0 0.702 0.102 0.053 0.000 0.000 -0.000 3/19200 910.0 0.694 0.101 0.052 0.000 0.000 -0.000 3/19200 920.0 0.687 0.100 0.052 0.000 0.000 -0.000 3/19200 930.0 0.681 0.100 0.052 0.000 0.000 -0.000 3/19200 940.0 0.674 0.099 0.051 0.000 0.000 -0.000 3/19200 950.0 0.667 0.098 0.051 0.000 0.000 -0.000 3/19200 960.0 0.661 0.097 0.050 0.000 0.000 -0.000 3/19200 970.0 0.654 0.096 0.050 0.000 0.000 -0.000 3/19200 980.0 0.648 0.095 0.049 0.000 0.000 -0.000 3/19200 990.0 0.642 0.094 0.049 0.000 0.000 -0.000 3/19200 1000.0 0.636 0.093 0.048 0.000 0.000 -0.000 3/19200 Thermal conductivity related properties were written into "kappa-m1084.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:04:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|