----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 01:00:48]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P6_3cm (185) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.904683499001122 0.000000000000000 0.000000000000000 b -2.952341749500561 5.113605911441758 0.000000000000000 c 0.000000000000000 0.000000000000000 11.520192350000000 Atomic positions (fractional): *1 Lu 0.33333333333333 0.66666666666667 0.76867550901671 174.967 *2 Lu 0.00000000000000 0.00000000000000 0.72677000364144 174.967 3 Lu 0.00000000000000 0.00000000000000 0.22677000364144 174.967 4 Lu 0.33333333333333 0.66666666666667 0.26867550901671 174.967 5 Lu 0.66666666666667 0.33333333333333 0.26867550901671 174.967 6 Lu 0.66666666666667 0.33333333333333 0.76867550901671 174.967 *7 Ga 0.00000000000000 0.33407020648651 0.50132156420960 69.723 8 Ga 0.00000000000000 0.66592979351349 0.00132156420960 69.723 9 Ga 0.33407020648651 0.00000000000000 0.50132156420960 69.723 10 Ga 0.66592979351349 0.00000000000000 0.00132156420960 69.723 11 Ga 0.33407020648651 0.33407020648651 0.00132156420960 69.723 12 Ga 0.66592979351349 0.66592979351349 0.50132156420960 69.723 *13 O 0.00000000000000 0.30470047410848 0.33632335215983 15.999 *14 O 0.00000000000000 0.36177993821514 0.66480969634547 15.999 15 O 0.00000000000000 0.63822006178486 0.16480969634547 15.999 16 O 0.00000000000000 0.69529952589152 0.83632335215984 15.999 *17 O 0.33333333333333 0.66666666666667 0.97935556117394 15.999 *18 O 0.00000000000000 0.00000000000000 0.52652980783260 15.999 19 O 0.00000000000000 0.00000000000000 0.02652980783260 15.999 20 O 0.33333333333333 0.66666666666667 0.47935556117394 15.999 21 O 0.30470047410848 0.00000000000000 0.33632335215983 15.999 22 O 0.36177993821514 0.00000000000000 0.66480969634547 15.999 23 O 0.30470047410848 0.30470047410848 0.83632335215984 15.999 24 O 0.63822006178486 0.00000000000000 0.16480969634547 15.999 25 O 0.69529952589152 0.00000000000000 0.83632335215984 15.999 26 O 0.36177993821514 0.36177993821514 0.16480969634547 15.999 27 O 0.66666666666667 0.33333333333333 0.47935556117394 15.999 28 O 0.66666666666667 0.33333333333333 0.97935556117394 15.999 29 O 0.63822006178486 0.63822006178486 0.66480969634547 15.999 30 O 0.69529952589152 0.69529952589152 0.33632335215983 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.904683499001122 0.000000000000000 0.000000000000000 b -2.952341749500561 5.113605911441758 0.000000000000000 c 0.000000000000000 0.000000000000000 11.520192350000000 Atomic positions (fractional): *1 Lu 0.33333333333333 0.66666666666667 0.76867550901671 174.967 > 1 *2 Lu 0.00000000000000 0.00000000000000 0.72677000364144 174.967 > 2 3 Lu 0.00000000000000 0.00000000000000 0.22677000364144 174.967 > 3 4 Lu 0.33333333333333 0.66666666666667 0.26867550901671 174.967 > 4 5 Lu 0.66666666666667 0.33333333333333 0.26867550901671 174.967 > 5 6 Lu 0.66666666666667 0.33333333333333 0.76867550901671 174.967 > 6 *7 Ga 0.00000000000000 0.33407020648651 0.50132156420960 69.723 > 7 8 Ga 0.00000000000000 0.66592979351349 0.00132156420960 69.723 > 8 9 Ga 0.33407020648651 0.00000000000000 0.50132156420960 69.723 > 9 10 Ga 0.66592979351349 0.00000000000000 0.00132156420960 69.723 > 10 11 Ga 0.33407020648651 0.33407020648651 0.00132156420960 69.723 > 11 12 Ga 0.66592979351349 0.66592979351349 0.50132156420960 69.723 > 12 *13 O 0.00000000000000 0.30470047410848 0.33632335215983 15.999 > 13 *14 O 0.00000000000000 0.36177993821514 0.66480969634547 15.999 > 14 15 O 0.00000000000000 0.63822006178486 0.16480969634547 15.999 > 15 16 O 0.00000000000000 0.69529952589152 0.83632335215984 15.999 > 16 *17 O 0.33333333333333 0.66666666666667 0.97935556117394 15.999 > 17 *18 O 0.00000000000000 0.00000000000000 0.52652980783260 15.999 > 18 19 O 0.00000000000000 0.00000000000000 0.02652980783260 15.999 > 19 20 O 0.33333333333333 0.66666666666667 0.47935556117394 15.999 > 20 21 O 0.30470047410848 0.00000000000000 0.33632335215983 15.999 > 21 22 O 0.36177993821514 0.00000000000000 0.66480969634547 15.999 > 22 23 O 0.30470047410848 0.30470047410848 0.83632335215984 15.999 > 23 24 O 0.63822006178486 0.00000000000000 0.16480969634547 15.999 > 24 25 O 0.69529952589152 0.00000000000000 0.83632335215984 15.999 > 25 26 O 0.36177993821514 0.36177993821514 0.16480969634547 15.999 > 26 27 O 0.66666666666667 0.33333333333333 0.47935556117394 15.999 > 27 28 O 0.66666666666667 0.33333333333333 0.97935556117394 15.999 > 28 29 O 0.63822006178486 0.63822006178486 0.66480969634547 15.999 > 29 30 O 0.69529952589152 0.69529952589152 0.33632335215983 15.999 > 30 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.809366998002243 0.000000000000000 0.000000000000000 b -5.904683499001122 10.227211822883516 0.000000000000000 c 0.000000000000000 0.000000000000000 11.520192350000000 Atomic positions (fractional): *1 Lu 0.16666666666667 0.33333333333333 0.76867550901671 174.967 > 1 2 Lu 0.66666666666667 0.33333333333333 0.76867550901671 174.967 > 1 3 Lu 0.16666666666667 0.83333333333333 0.76867550901671 174.967 > 1 4 Lu 0.66666666666667 0.83333333333333 0.76867550901671 174.967 > 1 *5 Lu 0.00000000000000 0.00000000000000 0.72677000364144 174.967 > 2 6 Lu 0.50000000000000 0.00000000000000 0.72677000364144 174.967 > 2 7 Lu 0.00000000000000 0.50000000000000 0.72677000364144 174.967 > 2 8 Lu 0.50000000000000 0.50000000000000 0.72677000364144 174.967 > 2 9 Lu 0.00000000000000 0.00000000000000 0.22677000364144 174.967 > 3 10 Lu 0.50000000000000 0.00000000000000 0.22677000364144 174.967 > 3 11 Lu 0.00000000000000 0.50000000000000 0.22677000364144 174.967 > 3 12 Lu 0.50000000000000 0.50000000000000 0.22677000364144 174.967 > 3 13 Lu 0.16666666666667 0.33333333333333 0.26867550901671 174.967 > 4 14 Lu 0.66666666666667 0.33333333333333 0.26867550901671 174.967 > 4 15 Lu 0.16666666666667 0.83333333333333 0.26867550901671 174.967 > 4 16 Lu 0.66666666666667 0.83333333333333 0.26867550901671 174.967 > 4 17 Lu 0.33333333333333 0.16666666666667 0.26867550901671 174.967 > 5 18 Lu 0.83333333333333 0.16666666666667 0.26867550901671 174.967 > 5 19 Lu 0.33333333333333 0.66666666666667 0.26867550901671 174.967 > 5 20 Lu 0.83333333333333 0.66666666666667 0.26867550901671 174.967 > 5 21 Lu 0.33333333333333 0.16666666666667 0.76867550901671 174.967 > 6 22 Lu 0.83333333333333 0.16666666666667 0.76867550901671 174.967 > 6 23 Lu 0.33333333333333 0.66666666666667 0.76867550901671 174.967 > 6 24 Lu 0.83333333333333 0.66666666666667 0.76867550901671 174.967 > 6 *25 Ga 0.00000000000000 0.16703510324325 0.50132156420960 69.723 > 7 26 Ga 0.50000000000000 0.16703510324325 0.50132156420960 69.723 > 7 27 Ga 0.00000000000000 0.66703510324325 0.50132156420960 69.723 > 7 28 Ga 0.50000000000000 0.66703510324325 0.50132156420960 69.723 > 7 29 Ga 0.00000000000000 0.33296489675675 0.00132156420960 69.723 > 8 30 Ga 0.50000000000000 0.33296489675675 0.00132156420960 69.723 > 8 31 Ga 0.00000000000000 0.83296489675675 0.00132156420960 69.723 > 8 32 Ga 0.50000000000000 0.83296489675675 0.00132156420960 69.723 > 8 33 Ga 0.16703510324325 0.00000000000000 0.50132156420960 69.723 > 9 34 Ga 0.66703510324325 0.00000000000000 0.50132156420960 69.723 > 9 35 Ga 0.16703510324325 0.50000000000000 0.50132156420960 69.723 > 9 36 Ga 0.66703510324325 0.50000000000000 0.50132156420960 69.723 > 9 37 Ga 0.33296489675675 0.00000000000000 0.00132156420960 69.723 > 10 38 Ga 0.83296489675675 0.00000000000000 0.00132156420960 69.723 > 10 39 Ga 0.33296489675675 0.50000000000000 0.00132156420960 69.723 > 10 40 Ga 0.83296489675675 0.50000000000000 0.00132156420960 69.723 > 10 41 Ga 0.16703510324325 0.16703510324325 0.00132156420960 69.723 > 11 42 Ga 0.66703510324325 0.16703510324325 0.00132156420960 69.723 > 11 43 Ga 0.16703510324325 0.66703510324325 0.00132156420960 69.723 > 11 44 Ga 0.66703510324325 0.66703510324325 0.00132156420960 69.723 > 11 45 Ga 0.33296489675675 0.33296489675675 0.50132156420960 69.723 > 12 46 Ga 0.83296489675675 0.33296489675675 0.50132156420960 69.723 > 12 47 Ga 0.33296489675675 0.83296489675675 0.50132156420960 69.723 > 12 48 Ga 0.83296489675675 0.83296489675675 0.50132156420960 69.723 > 12 *49 O 0.00000000000000 0.15235023705424 0.33632335215983 15.999 > 13 50 O 0.50000000000000 0.15235023705424 0.33632335215983 15.999 > 13 51 O 0.00000000000000 0.65235023705424 0.33632335215983 15.999 > 13 52 O 0.50000000000000 0.65235023705424 0.33632335215983 15.999 > 13 *53 O 0.00000000000000 0.18088996910757 0.66480969634547 15.999 > 14 54 O 0.50000000000000 0.18088996910757 0.66480969634547 15.999 > 14 55 O 0.00000000000000 0.68088996910757 0.66480969634547 15.999 > 14 56 O 0.50000000000000 0.68088996910757 0.66480969634547 15.999 > 14 57 O 0.00000000000000 0.31911003089243 0.16480969634547 15.999 > 15 58 O 0.50000000000000 0.31911003089243 0.16480969634547 15.999 > 15 59 O 0.00000000000000 0.81911003089243 0.16480969634547 15.999 > 15 60 O 0.50000000000000 0.81911003089243 0.16480969634547 15.999 > 15 61 O 0.00000000000000 0.34764976294576 0.83632335215984 15.999 > 16 62 O 0.50000000000000 0.34764976294576 0.83632335215984 15.999 > 16 63 O 0.00000000000000 0.84764976294576 0.83632335215984 15.999 > 16 64 O 0.50000000000000 0.84764976294576 0.83632335215984 15.999 > 16 *65 O 0.16666666666667 0.33333333333333 0.97935556117394 15.999 > 17 66 O 0.66666666666667 0.33333333333333 0.97935556117394 15.999 > 17 67 O 0.16666666666667 0.83333333333333 0.97935556117394 15.999 > 17 68 O 0.66666666666667 0.83333333333333 0.97935556117394 15.999 > 17 *69 O 0.00000000000000 0.00000000000000 0.52652980783260 15.999 > 18 70 O 0.50000000000000 0.00000000000000 0.52652980783260 15.999 > 18 71 O 0.00000000000000 0.50000000000000 0.52652980783260 15.999 > 18 72 O 0.50000000000000 0.50000000000000 0.52652980783260 15.999 > 18 73 O 0.00000000000000 0.00000000000000 0.02652980783260 15.999 > 19 74 O 0.50000000000000 0.00000000000000 0.02652980783260 15.999 > 19 75 O 0.00000000000000 0.50000000000000 0.02652980783260 15.999 > 19 76 O 0.50000000000000 0.50000000000000 0.02652980783260 15.999 > 19 77 O 0.16666666666667 0.33333333333333 0.47935556117394 15.999 > 20 78 O 0.66666666666667 0.33333333333333 0.47935556117394 15.999 > 20 79 O 0.16666666666667 0.83333333333333 0.47935556117394 15.999 > 20 80 O 0.66666666666667 0.83333333333333 0.47935556117394 15.999 > 20 81 O 0.15235023705424 0.00000000000000 0.33632335215983 15.999 > 21 82 O 0.65235023705424 0.00000000000000 0.33632335215983 15.999 > 21 83 O 0.15235023705424 0.50000000000000 0.33632335215983 15.999 > 21 84 O 0.65235023705424 0.50000000000000 0.33632335215983 15.999 > 21 85 O 0.18088996910757 0.00000000000000 0.66480969634547 15.999 > 22 86 O 0.68088996910757 0.00000000000000 0.66480969634547 15.999 > 22 87 O 0.18088996910757 0.50000000000000 0.66480969634547 15.999 > 22 88 O 0.68088996910757 0.50000000000000 0.66480969634547 15.999 > 22 89 O 0.15235023705424 0.15235023705424 0.83632335215984 15.999 > 23 90 O 0.65235023705424 0.15235023705424 0.83632335215984 15.999 > 23 91 O 0.15235023705424 0.65235023705424 0.83632335215984 15.999 > 23 92 O 0.65235023705424 0.65235023705424 0.83632335215984 15.999 > 23 93 O 0.31911003089243 0.00000000000000 0.16480969634547 15.999 > 24 94 O 0.81911003089243 0.00000000000000 0.16480969634547 15.999 > 24 95 O 0.31911003089243 0.50000000000000 0.16480969634547 15.999 > 24 96 O 0.81911003089243 0.50000000000000 0.16480969634547 15.999 > 24 97 O 0.34764976294576 0.00000000000000 0.83632335215984 15.999 > 25 98 O 0.84764976294576 0.00000000000000 0.83632335215984 15.999 > 25 99 O 0.34764976294576 0.50000000000000 0.83632335215984 15.999 > 25 100 O 0.84764976294576 0.50000000000000 0.83632335215984 15.999 > 25 101 O 0.18088996910757 0.18088996910757 0.16480969634547 15.999 > 26 102 O 0.68088996910757 0.18088996910757 0.16480969634547 15.999 > 26 103 O 0.18088996910757 0.68088996910757 0.16480969634547 15.999 > 26 104 O 0.68088996910757 0.68088996910757 0.16480969634547 15.999 > 26 105 O 0.33333333333333 0.16666666666667 0.47935556117394 15.999 > 27 106 O 0.83333333333333 0.16666666666667 0.47935556117394 15.999 > 27 107 O 0.33333333333333 0.66666666666667 0.47935556117394 15.999 > 27 108 O 0.83333333333333 0.66666666666667 0.47935556117394 15.999 > 27 109 O 0.33333333333333 0.16666666666667 0.97935556117394 15.999 > 28 110 O 0.83333333333333 0.16666666666667 0.97935556117394 15.999 > 28 111 O 0.33333333333333 0.66666666666667 0.97935556117394 15.999 > 28 112 O 0.83333333333333 0.66666666666667 0.97935556117394 15.999 > 28 113 O 0.31911003089243 0.31911003089243 0.66480969634547 15.999 > 29 114 O 0.81911003089243 0.31911003089243 0.66480969634547 15.999 > 29 115 O 0.31911003089243 0.81911003089243 0.66480969634547 15.999 > 29 116 O 0.81911003089243 0.81911003089243 0.66480969634547 15.999 > 29 117 O 0.34764976294576 0.34764976294576 0.33632335215983 15.999 > 30 118 O 0.84764976294576 0.34764976294576 0.33632335215983 15.999 > 30 119 O 0.34764976294576 0.84764976294576 0.33632335215983 15.999 > 30 120 O 0.84764976294576 0.84764976294576 0.33632335215983 15.999 > 30 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.1501878 -0.0000000 0.0000000 0.0000000 4.1501878 0.0000000 0.0000000 0.0000000 4.1870714 -------------------------- Born effective charges -------------------------- 1 Lu 3.8208753 -0.1036229 -0.0000000 0.1036230 3.8208753 0.0000000 0.0000000 -0.0000000 3.3590695 2 Lu 3.7481201 0.0000000 -0.0000000 -0.0000000 3.7481201 0.0000000 0.0000000 -0.0000000 3.4278627 3 Lu 3.7481201 0.0000000 -0.0000000 -0.0000000 3.7481201 0.0000000 0.0000000 -0.0000000 3.4278627 4 Lu 3.8208753 0.1036229 -0.0000000 -0.1036230 3.8208753 0.0000000 0.0000000 -0.0000000 3.3590695 5 Lu 3.8208753 -0.1036229 -0.0000000 0.1036230 3.8208753 0.0000000 0.0000000 -0.0000000 3.3590695 6 Lu 3.8208753 0.1036229 -0.0000000 -0.1036230 3.8208753 0.0000000 0.0000000 -0.0000000 3.3590695 7 Ga 2.8581762 0.0031207 0.0823133 0.0031207 2.8545727 -0.1425709 0.0256650 -0.0444530 3.4303692 8 Ga 2.8581762 0.0031207 -0.0823133 0.0031207 2.8545727 0.1425709 -0.0256650 0.0444530 3.4303692 9 Ga 2.8527710 0.0000000 -0.1646266 -0.0000000 2.8599779 0.0000000 -0.0513299 -0.0000000 3.4303692 10 Ga 2.8527710 0.0000000 0.1646266 -0.0000000 2.8599779 0.0000000 0.0513299 0.0000000 3.4303692 11 Ga 2.8581762 -0.0031207 -0.0823133 -0.0031207 2.8545727 -0.1425709 -0.0256650 -0.0444530 3.4303692 12 Ga 2.8581762 -0.0031207 0.0823133 -0.0031207 2.8545727 0.1425709 0.0256650 0.0444530 3.4303692 13 O -2.2753634 -0.0215518 0.0964431 -0.0215518 -2.2504775 -0.1670443 0.0685299 -0.1186972 -2.3846439 14 O -2.1776276 0.0020821 0.0884636 0.0020821 -2.1800318 -0.1532234 0.0551815 -0.0955772 -2.4843664 15 O -2.1776276 0.0020821 -0.0884636 0.0020821 -2.1800318 0.1532234 -0.0551815 0.0955772 -2.4843664 16 O -2.2753634 -0.0215518 -0.0964431 -0.0215518 -2.2504775 0.1670443 -0.0685299 0.1186972 -2.3846439 17 O -2.2144449 0.0051342 -0.0000000 -0.0051342 -2.2144449 0.0000000 0.0000000 -0.0000000 -1.9210389 18 O -2.2048538 -0.0000000 -0.0000000 -0.0000000 -2.2048538 0.0000000 0.0000000 -0.0000000 -1.9880004 19 O -2.2048538 -0.0000000 -0.0000000 -0.0000000 -2.2048538 0.0000000 0.0000000 -0.0000000 -1.9880004 20 O -2.2144449 -0.0051342 -0.0000000 0.0051342 -2.2144449 0.0000000 0.0000000 -0.0000000 -1.9210389 21 O -2.2380346 0.0000000 -0.1928862 -0.0000000 -2.2878063 0.0000000 -0.1370597 -0.0000000 -2.3846439 22 O -2.1812340 -0.0000000 -0.1769271 -0.0000000 -2.1764255 0.0000000 -0.1103631 -0.0000000 -2.4843664 23 O -2.2753634 0.0215518 -0.0964431 0.0215518 -2.2504775 -0.1670443 -0.0685299 -0.1186972 -2.3846439 24 O -2.1812340 -0.0000000 0.1769271 -0.0000000 -2.1764255 0.0000000 0.1103631 0.0000000 -2.4843664 25 O -2.2380346 0.0000000 0.1928862 -0.0000000 -2.2878063 0.0000000 0.1370597 0.0000000 -2.3846439 26 O -2.1776276 -0.0020821 -0.0884636 -0.0020821 -2.1800318 -0.1532234 -0.0551815 -0.0955772 -2.4843664 27 O -2.2144449 0.0051342 -0.0000000 -0.0051342 -2.2144449 0.0000000 0.0000000 -0.0000000 -1.9210389 28 O -2.2144449 -0.0051342 -0.0000000 0.0051342 -2.2144449 0.0000000 0.0000000 -0.0000000 -1.9210389 29 O -2.1776276 -0.0020821 0.0884636 -0.0020821 -2.1800318 0.1532234 0.0551815 0.0955772 -2.4843664 30 O -2.2753634 0.0215518 0.0964431 0.0215518 -2.2504775 0.1670443 0.0685299 0.1186972 -2.3846439 ---------------------------------------------------------------------------- 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: 16560/16560 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1450 Number of blocks in projector: 780 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 660 Use submatrix version of eigh solver. (1) Block: 500 / 660 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 660 / 660 (1) 153 eigenvectors found. (1) Complementary block size: 19 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 2 / 3 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 244 eigenvectors found. (2) Block: 500 / 576 (2) 244 eigenvectors found. (2) Block: 576 / 576 (2) 72 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 570 eigenvectors found. (1) Complementary block size: 6 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 3 --- Block_size: 214 Use standard eigh solver. Tree of FC basis block matrices: - (1450, 1425), data: False |-- (214, 207), data: True |-- (576, 570), data: False |-- (576, 570), data: False |-- (576, 10), data: (576, 16) @ (16, 10) |-- (76, 72), data: True |-- (250, 244), data: True |-- (250, 244), data: True |-- (660, 648), data: False |-- (660, 7), data: (660, 19) @ (19, 7) |-- (160, 153), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.007 Solver_block: 100 / 320 - Time: 1.990 Solver_block: 200 / 320 - Time: 2.000 Solver_block: 300 / 320 - Time: 2.003 Solver_block: 320 / 320 - Time: 0.473 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.501 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 360/360 Permutation basis: 16560/16560 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1450 Number of blocks in projector: 780 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 660 Use submatrix version of eigh solver. (1) Block: 500 / 660 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 660 / 660 (1) 153 eigenvectors found. (1) Complementary block size: 19 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 2 / 3 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 244 eigenvectors found. (2) Block: 500 / 576 (2) 244 eigenvectors found. (2) Block: 576 / 576 (2) 72 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 570 eigenvectors found. (1) Complementary block size: 6 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 3 --- Block_size: 214 Use standard eigh solver. Tree of FC basis block matrices: - (1450, 1425), data: False |-- (214, 207), data: True |-- (576, 570), data: False |-- (576, 570), data: False |-- (576, 10), data: (576, 16) @ (16, 10) |-- (76, 72), data: True |-- (250, 244), data: True |-- (250, 244), data: True |-- (660, 648), data: False |-- (660, 7), data: (660, 19) @ (19, 7) |-- (160, 153), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 01:01:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 01:01:10]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P6_3cm (185) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.904683499001122 0.000000000000000 0.000000000000000 b -2.952341749500561 5.113605911441758 0.000000000000000 c 0.000000000000000 0.000000000000000 11.520192350000000 Atomic positions (fractional): 1 Lu 0.33333333333333 0.66666666666667 0.76867550901671 174.967 2 Lu 0.00000000000000 0.00000000000000 0.72677000364144 174.967 3 Lu 0.00000000000000 0.00000000000000 0.22677000364144 174.967 4 Lu 0.33333333333333 0.66666666666667 0.26867550901671 174.967 5 Lu 0.66666666666667 0.33333333333333 0.26867550901671 174.967 6 Lu 0.66666666666667 0.33333333333333 0.76867550901671 174.967 7 Ga 0.00000000000000 0.33407020648651 0.50132156420960 69.723 8 Ga 0.00000000000000 0.66592979351349 0.00132156420960 69.723 9 Ga 0.33407020648651 0.00000000000000 0.50132156420960 69.723 10 Ga 0.66592979351349 0.00000000000000 0.00132156420960 69.723 11 Ga 0.33407020648651 0.33407020648651 0.00132156420960 69.723 12 Ga 0.66592979351349 0.66592979351349 0.50132156420960 69.723 13 O 0.00000000000000 0.30470047410848 0.33632335215983 15.999 14 O 0.00000000000000 0.36177993821514 0.66480969634547 15.999 15 O 0.00000000000000 0.63822006178486 0.16480969634547 15.999 16 O 0.00000000000000 0.69529952589152 0.83632335215984 15.999 17 O 0.33333333333333 0.66666666666667 0.97935556117394 15.999 18 O 0.00000000000000 0.00000000000000 0.52652980783260 15.999 19 O 0.00000000000000 0.00000000000000 0.02652980783260 15.999 20 O 0.33333333333333 0.66666666666667 0.47935556117394 15.999 21 O 0.30470047410848 0.00000000000000 0.33632335215983 15.999 22 O 0.36177993821514 0.00000000000000 0.66480969634547 15.999 23 O 0.30470047410848 0.30470047410848 0.83632335215984 15.999 24 O 0.63822006178486 0.00000000000000 0.16480969634547 15.999 25 O 0.69529952589152 0.00000000000000 0.83632335215984 15.999 26 O 0.36177993821514 0.36177993821514 0.16480969634547 15.999 27 O 0.66666666666667 0.33333333333333 0.47935556117394 15.999 28 O 0.66666666666667 0.33333333333333 0.97935556117394 15.999 29 O 0.63822006178486 0.63822006178486 0.66480969634547 15.999 30 O 0.69529952589152 0.69529952589152 0.33632335215983 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.809366998002243 0.000000000000000 0.000000000000000 b -5.904683499001122 10.227211822883516 0.000000000000000 c 0.000000000000000 0.000000000000000 11.520192350000000 Atomic positions (fractional): 1 Lu 0.16666666666667 0.33333333333333 0.76867550901671 174.967 > 1 2 Lu 0.66666666666667 0.33333333333333 0.76867550901671 174.967 > 1 3 Lu 0.16666666666667 0.83333333333333 0.76867550901671 174.967 > 1 4 Lu 0.66666666666667 0.83333333333333 0.76867550901671 174.967 > 1 5 Lu 0.00000000000000 0.00000000000000 0.72677000364144 174.967 > 5 6 Lu 0.50000000000000 0.00000000000000 0.72677000364144 174.967 > 5 7 Lu 0.00000000000000 0.50000000000000 0.72677000364144 174.967 > 5 8 Lu 0.50000000000000 0.50000000000000 0.72677000364144 174.967 > 5 9 Lu 0.00000000000000 0.00000000000000 0.22677000364144 174.967 > 9 10 Lu 0.50000000000000 0.00000000000000 0.22677000364144 174.967 > 9 11 Lu 0.00000000000000 0.50000000000000 0.22677000364144 174.967 > 9 12 Lu 0.50000000000000 0.50000000000000 0.22677000364144 174.967 > 9 13 Lu 0.16666666666667 0.33333333333333 0.26867550901671 174.967 > 13 14 Lu 0.66666666666667 0.33333333333333 0.26867550901671 174.967 > 13 15 Lu 0.16666666666667 0.83333333333333 0.26867550901671 174.967 > 13 16 Lu 0.66666666666667 0.83333333333333 0.26867550901671 174.967 > 13 17 Lu 0.33333333333333 0.16666666666667 0.26867550901671 174.967 > 17 18 Lu 0.83333333333333 0.16666666666667 0.26867550901671 174.967 > 17 19 Lu 0.33333333333333 0.66666666666667 0.26867550901671 174.967 > 17 20 Lu 0.83333333333333 0.66666666666667 0.26867550901671 174.967 > 17 21 Lu 0.33333333333333 0.16666666666667 0.76867550901671 174.967 > 21 22 Lu 0.83333333333333 0.16666666666667 0.76867550901671 174.967 > 21 23 Lu 0.33333333333333 0.66666666666667 0.76867550901671 174.967 > 21 24 Lu 0.83333333333333 0.66666666666667 0.76867550901671 174.967 > 21 25 Ga 0.00000000000000 0.16703510324325 0.50132156420960 69.723 > 25 26 Ga 0.50000000000000 0.16703510324325 0.50132156420960 69.723 > 25 27 Ga 0.00000000000000 0.66703510324325 0.50132156420960 69.723 > 25 28 Ga 0.50000000000000 0.66703510324325 0.50132156420960 69.723 > 25 29 Ga 0.00000000000000 0.33296489675675 0.00132156420960 69.723 > 29 30 Ga 0.50000000000000 0.33296489675675 0.00132156420960 69.723 > 29 31 Ga 0.00000000000000 0.83296489675675 0.00132156420960 69.723 > 29 32 Ga 0.50000000000000 0.83296489675675 0.00132156420960 69.723 > 29 33 Ga 0.16703510324325 0.00000000000000 0.50132156420960 69.723 > 33 34 Ga 0.66703510324325 0.00000000000000 0.50132156420960 69.723 > 33 35 Ga 0.16703510324325 0.50000000000000 0.50132156420960 69.723 > 33 36 Ga 0.66703510324325 0.50000000000000 0.50132156420960 69.723 > 33 37 Ga 0.33296489675675 0.00000000000000 0.00132156420960 69.723 > 37 38 Ga 0.83296489675675 0.00000000000000 0.00132156420960 69.723 > 37 39 Ga 0.33296489675675 0.50000000000000 0.00132156420960 69.723 > 37 40 Ga 0.83296489675675 0.50000000000000 0.00132156420960 69.723 > 37 41 Ga 0.16703510324325 0.16703510324325 0.00132156420960 69.723 > 41 42 Ga 0.66703510324325 0.16703510324325 0.00132156420960 69.723 > 41 43 Ga 0.16703510324325 0.66703510324325 0.00132156420960 69.723 > 41 44 Ga 0.66703510324325 0.66703510324325 0.00132156420960 69.723 > 41 45 Ga 0.33296489675675 0.33296489675675 0.50132156420960 69.723 > 45 46 Ga 0.83296489675675 0.33296489675675 0.50132156420960 69.723 > 45 47 Ga 0.33296489675675 0.83296489675675 0.50132156420960 69.723 > 45 48 Ga 0.83296489675675 0.83296489675675 0.50132156420960 69.723 > 45 49 O 0.00000000000000 0.15235023705424 0.33632335215983 15.999 > 49 50 O 0.50000000000000 0.15235023705424 0.33632335215983 15.999 > 49 51 O 0.00000000000000 0.65235023705424 0.33632335215983 15.999 > 49 52 O 0.50000000000000 0.65235023705424 0.33632335215983 15.999 > 49 53 O 0.00000000000000 0.18088996910757 0.66480969634547 15.999 > 53 54 O 0.50000000000000 0.18088996910757 0.66480969634547 15.999 > 53 55 O 0.00000000000000 0.68088996910757 0.66480969634547 15.999 > 53 56 O 0.50000000000000 0.68088996910757 0.66480969634547 15.999 > 53 57 O 0.00000000000000 0.31911003089243 0.16480969634547 15.999 > 57 58 O 0.50000000000000 0.31911003089243 0.16480969634547 15.999 > 57 59 O 0.00000000000000 0.81911003089243 0.16480969634547 15.999 > 57 60 O 0.50000000000000 0.81911003089243 0.16480969634547 15.999 > 57 61 O 0.00000000000000 0.34764976294576 0.83632335215984 15.999 > 61 62 O 0.50000000000000 0.34764976294576 0.83632335215984 15.999 > 61 63 O 0.00000000000000 0.84764976294576 0.83632335215984 15.999 > 61 64 O 0.50000000000000 0.84764976294576 0.83632335215984 15.999 > 61 65 O 0.16666666666667 0.33333333333333 0.97935556117394 15.999 > 65 66 O 0.66666666666667 0.33333333333333 0.97935556117394 15.999 > 65 67 O 0.16666666666667 0.83333333333333 0.97935556117394 15.999 > 65 68 O 0.66666666666667 0.83333333333333 0.97935556117394 15.999 > 65 69 O 0.00000000000000 0.00000000000000 0.52652980783260 15.999 > 69 70 O 0.50000000000000 0.00000000000000 0.52652980783260 15.999 > 69 71 O 0.00000000000000 0.50000000000000 0.52652980783260 15.999 > 69 72 O 0.50000000000000 0.50000000000000 0.52652980783260 15.999 > 69 73 O 0.00000000000000 0.00000000000000 0.02652980783260 15.999 > 73 74 O 0.50000000000000 0.00000000000000 0.02652980783260 15.999 > 73 75 O 0.00000000000000 0.50000000000000 0.02652980783260 15.999 > 73 76 O 0.50000000000000 0.50000000000000 0.02652980783260 15.999 > 73 77 O 0.16666666666667 0.33333333333333 0.47935556117394 15.999 > 77 78 O 0.66666666666667 0.33333333333333 0.47935556117394 15.999 > 77 79 O 0.16666666666667 0.83333333333333 0.47935556117394 15.999 > 77 80 O 0.66666666666667 0.83333333333333 0.47935556117394 15.999 > 77 81 O 0.15235023705424 0.00000000000000 0.33632335215983 15.999 > 81 82 O 0.65235023705424 0.00000000000000 0.33632335215983 15.999 > 81 83 O 0.15235023705424 0.50000000000000 0.33632335215983 15.999 > 81 84 O 0.65235023705424 0.50000000000000 0.33632335215983 15.999 > 81 85 O 0.18088996910757 0.00000000000000 0.66480969634547 15.999 > 85 86 O 0.68088996910757 0.00000000000000 0.66480969634547 15.999 > 85 87 O 0.18088996910757 0.50000000000000 0.66480969634547 15.999 > 85 88 O 0.68088996910757 0.50000000000000 0.66480969634547 15.999 > 85 89 O 0.15235023705424 0.15235023705424 0.83632335215984 15.999 > 89 90 O 0.65235023705424 0.15235023705424 0.83632335215984 15.999 > 89 91 O 0.15235023705424 0.65235023705424 0.83632335215984 15.999 > 89 92 O 0.65235023705424 0.65235023705424 0.83632335215984 15.999 > 89 93 O 0.31911003089243 0.00000000000000 0.16480969634547 15.999 > 93 94 O 0.81911003089243 0.00000000000000 0.16480969634547 15.999 > 93 95 O 0.31911003089243 0.50000000000000 0.16480969634547 15.999 > 93 96 O 0.81911003089243 0.50000000000000 0.16480969634547 15.999 > 93 97 O 0.34764976294576 0.00000000000000 0.83632335215984 15.999 > 97 98 O 0.84764976294576 0.00000000000000 0.83632335215984 15.999 > 97 99 O 0.34764976294576 0.50000000000000 0.83632335215984 15.999 > 97 100 O 0.84764976294576 0.50000000000000 0.83632335215984 15.999 > 97 101 O 0.18088996910757 0.18088996910757 0.16480969634547 15.999 > 101 102 O 0.68088996910757 0.18088996910757 0.16480969634547 15.999 > 101 103 O 0.18088996910757 0.68088996910757 0.16480969634547 15.999 > 101 104 O 0.68088996910757 0.68088996910757 0.16480969634547 15.999 > 101 105 O 0.33333333333333 0.16666666666667 0.47935556117394 15.999 > 105 106 O 0.83333333333333 0.16666666666667 0.47935556117394 15.999 > 105 107 O 0.33333333333333 0.66666666666667 0.47935556117394 15.999 > 105 108 O 0.83333333333333 0.66666666666667 0.47935556117394 15.999 > 105 109 O 0.33333333333333 0.16666666666667 0.97935556117394 15.999 > 109 110 O 0.83333333333333 0.16666666666667 0.97935556117394 15.999 > 109 111 O 0.33333333333333 0.66666666666667 0.97935556117394 15.999 > 109 112 O 0.83333333333333 0.66666666666667 0.97935556117394 15.999 > 109 113 O 0.31911003089243 0.31911003089243 0.66480969634547 15.999 > 113 114 O 0.81911003089243 0.31911003089243 0.66480969634547 15.999 > 113 115 O 0.31911003089243 0.81911003089243 0.66480969634547 15.999 > 113 116 O 0.81911003089243 0.81911003089243 0.66480969634547 15.999 > 113 117 O 0.34764976294576 0.34764976294576 0.33632335215983 15.999 > 117 118 O 0.84764976294576 0.34764976294576 0.33632335215983 15.999 > 117 119 O 0.34764976294576 0.84764976294576 0.33632335215983 15.999 > 117 120 O 0.84764976294576 0.84764976294576 0.33632335215983 15.999 > 117 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.1501878 -0.0000000 0.0000000 0.0000000 4.1501878 0.0000000 0.0000000 0.0000000 4.1870714 -------------------------- Born effective charges -------------------------- 1 Lu 3.8208753 -0.1036229 -0.0000000 0.1036230 3.8208753 0.0000000 0.0000000 -0.0000000 3.3590695 2 Lu 3.7481201 0.0000000 -0.0000000 -0.0000000 3.7481201 0.0000000 0.0000000 -0.0000000 3.4278627 3 Lu 3.7481201 0.0000000 -0.0000000 -0.0000000 3.7481201 0.0000000 0.0000000 -0.0000000 3.4278627 4 Lu 3.8208753 0.1036229 -0.0000000 -0.1036230 3.8208753 0.0000000 0.0000000 -0.0000000 3.3590695 5 Lu 3.8208753 -0.1036229 -0.0000000 0.1036230 3.8208753 0.0000000 0.0000000 -0.0000000 3.3590695 6 Lu 3.8208753 0.1036229 -0.0000000 -0.1036230 3.8208753 0.0000000 0.0000000 -0.0000000 3.3590695 7 Ga 2.8581762 0.0031207 0.0823133 0.0031207 2.8545727 -0.1425709 0.0256650 -0.0444530 3.4303692 8 Ga 2.8581762 0.0031207 -0.0823133 0.0031207 2.8545727 0.1425709 -0.0256650 0.0444530 3.4303692 9 Ga 2.8527710 0.0000000 -0.1646266 -0.0000000 2.8599779 0.0000000 -0.0513299 -0.0000000 3.4303692 10 Ga 2.8527710 0.0000000 0.1646266 -0.0000000 2.8599779 0.0000000 0.0513299 0.0000000 3.4303692 11 Ga 2.8581762 -0.0031207 -0.0823133 -0.0031207 2.8545727 -0.1425709 -0.0256650 -0.0444530 3.4303692 12 Ga 2.8581762 -0.0031207 0.0823133 -0.0031207 2.8545727 0.1425709 0.0256650 0.0444530 3.4303692 13 O -2.2753634 -0.0215518 0.0964431 -0.0215518 -2.2504775 -0.1670443 0.0685299 -0.1186972 -2.3846439 14 O -2.1776276 0.0020821 0.0884636 0.0020821 -2.1800318 -0.1532234 0.0551815 -0.0955772 -2.4843664 15 O -2.1776276 0.0020821 -0.0884636 0.0020821 -2.1800318 0.1532234 -0.0551815 0.0955772 -2.4843664 16 O -2.2753634 -0.0215518 -0.0964431 -0.0215518 -2.2504775 0.1670443 -0.0685299 0.1186972 -2.3846439 17 O -2.2144449 0.0051342 -0.0000000 -0.0051342 -2.2144449 0.0000000 0.0000000 -0.0000000 -1.9210389 18 O -2.2048538 -0.0000000 -0.0000000 -0.0000000 -2.2048538 0.0000000 0.0000000 -0.0000000 -1.9880004 19 O -2.2048538 -0.0000000 -0.0000000 -0.0000000 -2.2048538 0.0000000 0.0000000 -0.0000000 -1.9880004 20 O -2.2144449 -0.0051342 -0.0000000 0.0051342 -2.2144449 0.0000000 0.0000000 -0.0000000 -1.9210389 21 O -2.2380346 0.0000000 -0.1928862 -0.0000000 -2.2878063 0.0000000 -0.1370597 -0.0000000 -2.3846439 22 O -2.1812340 -0.0000000 -0.1769271 -0.0000000 -2.1764255 0.0000000 -0.1103631 -0.0000000 -2.4843664 23 O -2.2753634 0.0215518 -0.0964431 0.0215518 -2.2504775 -0.1670443 -0.0685299 -0.1186972 -2.3846439 24 O -2.1812340 -0.0000000 0.1769271 -0.0000000 -2.1764255 0.0000000 0.1103631 0.0000000 -2.4843664 25 O -2.2380346 0.0000000 0.1928862 -0.0000000 -2.2878063 0.0000000 0.1370597 0.0000000 -2.3846439 26 O -2.1776276 -0.0020821 -0.0884636 -0.0020821 -2.1800318 -0.1532234 -0.0551815 -0.0955772 -2.4843664 27 O -2.2144449 0.0051342 -0.0000000 -0.0051342 -2.2144449 0.0000000 0.0000000 -0.0000000 -1.9210389 28 O -2.2144449 -0.0051342 -0.0000000 0.0051342 -2.2144449 0.0000000 0.0000000 -0.0000000 -1.9210389 29 O -2.1776276 -0.0020821 0.0884636 -0.0020821 -2.1800318 0.1532234 0.0551815 0.0955772 -2.4843664 30 O -2.2753634 0.0215518 0.0964431 0.0215518 -2.2504775 0.1670443 0.0685299 0.1186972 -2.3846439 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 69, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000009 (yxy) -0.00000009 (yxy) -0.00000009 (yyx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000004 (yx) -0.00000004 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 01:01:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 01:01:30]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P6_3cm (185) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.904683499001122 0.000000000000000 0.000000000000000 b -2.952341749500561 5.113605911441758 0.000000000000000 c 0.000000000000000 0.000000000000000 11.520192350000000 Atomic positions (fractional): 1 Lu 0.33333333333333 0.66666666666667 0.76867550901671 174.967 2 Lu 0.00000000000000 0.00000000000000 0.72677000364144 174.967 3 Lu 0.00000000000000 0.00000000000000 0.22677000364144 174.967 4 Lu 0.33333333333333 0.66666666666667 0.26867550901671 174.967 5 Lu 0.66666666666667 0.33333333333333 0.26867550901671 174.967 6 Lu 0.66666666666667 0.33333333333333 0.76867550901671 174.967 7 Ga 0.00000000000000 0.33407020648651 0.50132156420960 69.723 8 Ga 0.00000000000000 0.66592979351349 0.00132156420960 69.723 9 Ga 0.33407020648651 0.00000000000000 0.50132156420960 69.723 10 Ga 0.66592979351349 0.00000000000000 0.00132156420960 69.723 11 Ga 0.33407020648651 0.33407020648651 0.00132156420960 69.723 12 Ga 0.66592979351349 0.66592979351349 0.50132156420960 69.723 13 O 0.00000000000000 0.30470047410848 0.33632335215983 15.999 14 O 0.00000000000000 0.36177993821514 0.66480969634547 15.999 15 O 0.00000000000000 0.63822006178486 0.16480969634547 15.999 16 O 0.00000000000000 0.69529952589152 0.83632335215984 15.999 17 O 0.33333333333333 0.66666666666667 0.97935556117394 15.999 18 O 0.00000000000000 0.00000000000000 0.52652980783260 15.999 19 O 0.00000000000000 0.00000000000000 0.02652980783260 15.999 20 O 0.33333333333333 0.66666666666667 0.47935556117394 15.999 21 O 0.30470047410848 0.00000000000000 0.33632335215983 15.999 22 O 0.36177993821514 0.00000000000000 0.66480969634547 15.999 23 O 0.30470047410848 0.30470047410848 0.83632335215984 15.999 24 O 0.63822006178486 0.00000000000000 0.16480969634547 15.999 25 O 0.69529952589152 0.00000000000000 0.83632335215984 15.999 26 O 0.36177993821514 0.36177993821514 0.16480969634547 15.999 27 O 0.66666666666667 0.33333333333333 0.47935556117394 15.999 28 O 0.66666666666667 0.33333333333333 0.97935556117394 15.999 29 O 0.63822006178486 0.63822006178486 0.66480969634547 15.999 30 O 0.69529952589152 0.69529952589152 0.33632335215983 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.809366998002243 0.000000000000000 0.000000000000000 b -5.904683499001122 10.227211822883516 0.000000000000000 c 0.000000000000000 0.000000000000000 11.520192350000000 Atomic positions (fractional): 1 Lu 0.16666666666667 0.33333333333333 0.76867550901671 174.967 > 1 2 Lu 0.66666666666667 0.33333333333333 0.76867550901671 174.967 > 1 3 Lu 0.16666666666667 0.83333333333333 0.76867550901671 174.967 > 1 4 Lu 0.66666666666667 0.83333333333333 0.76867550901671 174.967 > 1 5 Lu 0.00000000000000 0.00000000000000 0.72677000364144 174.967 > 5 6 Lu 0.50000000000000 0.00000000000000 0.72677000364144 174.967 > 5 7 Lu 0.00000000000000 0.50000000000000 0.72677000364144 174.967 > 5 8 Lu 0.50000000000000 0.50000000000000 0.72677000364144 174.967 > 5 9 Lu 0.00000000000000 0.00000000000000 0.22677000364144 174.967 > 9 10 Lu 0.50000000000000 0.00000000000000 0.22677000364144 174.967 > 9 11 Lu 0.00000000000000 0.50000000000000 0.22677000364144 174.967 > 9 12 Lu 0.50000000000000 0.50000000000000 0.22677000364144 174.967 > 9 13 Lu 0.16666666666667 0.33333333333333 0.26867550901671 174.967 > 13 14 Lu 0.66666666666667 0.33333333333333 0.26867550901671 174.967 > 13 15 Lu 0.16666666666667 0.83333333333333 0.26867550901671 174.967 > 13 16 Lu 0.66666666666667 0.83333333333333 0.26867550901671 174.967 > 13 17 Lu 0.33333333333333 0.16666666666667 0.26867550901671 174.967 > 17 18 Lu 0.83333333333333 0.16666666666667 0.26867550901671 174.967 > 17 19 Lu 0.33333333333333 0.66666666666667 0.26867550901671 174.967 > 17 20 Lu 0.83333333333333 0.66666666666667 0.26867550901671 174.967 > 17 21 Lu 0.33333333333333 0.16666666666667 0.76867550901671 174.967 > 21 22 Lu 0.83333333333333 0.16666666666667 0.76867550901671 174.967 > 21 23 Lu 0.33333333333333 0.66666666666667 0.76867550901671 174.967 > 21 24 Lu 0.83333333333333 0.66666666666667 0.76867550901671 174.967 > 21 25 Ga 0.00000000000000 0.16703510324325 0.50132156420960 69.723 > 25 26 Ga 0.50000000000000 0.16703510324325 0.50132156420960 69.723 > 25 27 Ga 0.00000000000000 0.66703510324325 0.50132156420960 69.723 > 25 28 Ga 0.50000000000000 0.66703510324325 0.50132156420960 69.723 > 25 29 Ga 0.00000000000000 0.33296489675675 0.00132156420960 69.723 > 29 30 Ga 0.50000000000000 0.33296489675675 0.00132156420960 69.723 > 29 31 Ga 0.00000000000000 0.83296489675675 0.00132156420960 69.723 > 29 32 Ga 0.50000000000000 0.83296489675675 0.00132156420960 69.723 > 29 33 Ga 0.16703510324325 0.00000000000000 0.50132156420960 69.723 > 33 34 Ga 0.66703510324325 0.00000000000000 0.50132156420960 69.723 > 33 35 Ga 0.16703510324325 0.50000000000000 0.50132156420960 69.723 > 33 36 Ga 0.66703510324325 0.50000000000000 0.50132156420960 69.723 > 33 37 Ga 0.33296489675675 0.00000000000000 0.00132156420960 69.723 > 37 38 Ga 0.83296489675675 0.00000000000000 0.00132156420960 69.723 > 37 39 Ga 0.33296489675675 0.50000000000000 0.00132156420960 69.723 > 37 40 Ga 0.83296489675675 0.50000000000000 0.00132156420960 69.723 > 37 41 Ga 0.16703510324325 0.16703510324325 0.00132156420960 69.723 > 41 42 Ga 0.66703510324325 0.16703510324325 0.00132156420960 69.723 > 41 43 Ga 0.16703510324325 0.66703510324325 0.00132156420960 69.723 > 41 44 Ga 0.66703510324325 0.66703510324325 0.00132156420960 69.723 > 41 45 Ga 0.33296489675675 0.33296489675675 0.50132156420960 69.723 > 45 46 Ga 0.83296489675675 0.33296489675675 0.50132156420960 69.723 > 45 47 Ga 0.33296489675675 0.83296489675675 0.50132156420960 69.723 > 45 48 Ga 0.83296489675675 0.83296489675675 0.50132156420960 69.723 > 45 49 O 0.00000000000000 0.15235023705424 0.33632335215983 15.999 > 49 50 O 0.50000000000000 0.15235023705424 0.33632335215983 15.999 > 49 51 O 0.00000000000000 0.65235023705424 0.33632335215983 15.999 > 49 52 O 0.50000000000000 0.65235023705424 0.33632335215983 15.999 > 49 53 O 0.00000000000000 0.18088996910757 0.66480969634547 15.999 > 53 54 O 0.50000000000000 0.18088996910757 0.66480969634547 15.999 > 53 55 O 0.00000000000000 0.68088996910757 0.66480969634547 15.999 > 53 56 O 0.50000000000000 0.68088996910757 0.66480969634547 15.999 > 53 57 O 0.00000000000000 0.31911003089243 0.16480969634547 15.999 > 57 58 O 0.50000000000000 0.31911003089243 0.16480969634547 15.999 > 57 59 O 0.00000000000000 0.81911003089243 0.16480969634547 15.999 > 57 60 O 0.50000000000000 0.81911003089243 0.16480969634547 15.999 > 57 61 O 0.00000000000000 0.34764976294576 0.83632335215984 15.999 > 61 62 O 0.50000000000000 0.34764976294576 0.83632335215984 15.999 > 61 63 O 0.00000000000000 0.84764976294576 0.83632335215984 15.999 > 61 64 O 0.50000000000000 0.84764976294576 0.83632335215984 15.999 > 61 65 O 0.16666666666667 0.33333333333333 0.97935556117394 15.999 > 65 66 O 0.66666666666667 0.33333333333333 0.97935556117394 15.999 > 65 67 O 0.16666666666667 0.83333333333333 0.97935556117394 15.999 > 65 68 O 0.66666666666667 0.83333333333333 0.97935556117394 15.999 > 65 69 O 0.00000000000000 0.00000000000000 0.52652980783260 15.999 > 69 70 O 0.50000000000000 0.00000000000000 0.52652980783260 15.999 > 69 71 O 0.00000000000000 0.50000000000000 0.52652980783260 15.999 > 69 72 O 0.50000000000000 0.50000000000000 0.52652980783260 15.999 > 69 73 O 0.00000000000000 0.00000000000000 0.02652980783260 15.999 > 73 74 O 0.50000000000000 0.00000000000000 0.02652980783260 15.999 > 73 75 O 0.00000000000000 0.50000000000000 0.02652980783260 15.999 > 73 76 O 0.50000000000000 0.50000000000000 0.02652980783260 15.999 > 73 77 O 0.16666666666667 0.33333333333333 0.47935556117394 15.999 > 77 78 O 0.66666666666667 0.33333333333333 0.47935556117394 15.999 > 77 79 O 0.16666666666667 0.83333333333333 0.47935556117394 15.999 > 77 80 O 0.66666666666667 0.83333333333333 0.47935556117394 15.999 > 77 81 O 0.15235023705424 0.00000000000000 0.33632335215983 15.999 > 81 82 O 0.65235023705424 0.00000000000000 0.33632335215983 15.999 > 81 83 O 0.15235023705424 0.50000000000000 0.33632335215983 15.999 > 81 84 O 0.65235023705424 0.50000000000000 0.33632335215983 15.999 > 81 85 O 0.18088996910757 0.00000000000000 0.66480969634547 15.999 > 85 86 O 0.68088996910757 0.00000000000000 0.66480969634547 15.999 > 85 87 O 0.18088996910757 0.50000000000000 0.66480969634547 15.999 > 85 88 O 0.68088996910757 0.50000000000000 0.66480969634547 15.999 > 85 89 O 0.15235023705424 0.15235023705424 0.83632335215984 15.999 > 89 90 O 0.65235023705424 0.15235023705424 0.83632335215984 15.999 > 89 91 O 0.15235023705424 0.65235023705424 0.83632335215984 15.999 > 89 92 O 0.65235023705424 0.65235023705424 0.83632335215984 15.999 > 89 93 O 0.31911003089243 0.00000000000000 0.16480969634547 15.999 > 93 94 O 0.81911003089243 0.00000000000000 0.16480969634547 15.999 > 93 95 O 0.31911003089243 0.50000000000000 0.16480969634547 15.999 > 93 96 O 0.81911003089243 0.50000000000000 0.16480969634547 15.999 > 93 97 O 0.34764976294576 0.00000000000000 0.83632335215984 15.999 > 97 98 O 0.84764976294576 0.00000000000000 0.83632335215984 15.999 > 97 99 O 0.34764976294576 0.50000000000000 0.83632335215984 15.999 > 97 100 O 0.84764976294576 0.50000000000000 0.83632335215984 15.999 > 97 101 O 0.18088996910757 0.18088996910757 0.16480969634547 15.999 > 101 102 O 0.68088996910757 0.18088996910757 0.16480969634547 15.999 > 101 103 O 0.18088996910757 0.68088996910757 0.16480969634547 15.999 > 101 104 O 0.68088996910757 0.68088996910757 0.16480969634547 15.999 > 101 105 O 0.33333333333333 0.16666666666667 0.47935556117394 15.999 > 105 106 O 0.83333333333333 0.16666666666667 0.47935556117394 15.999 > 105 107 O 0.33333333333333 0.66666666666667 0.47935556117394 15.999 > 105 108 O 0.83333333333333 0.66666666666667 0.47935556117394 15.999 > 105 109 O 0.33333333333333 0.16666666666667 0.97935556117394 15.999 > 109 110 O 0.83333333333333 0.16666666666667 0.97935556117394 15.999 > 109 111 O 0.33333333333333 0.66666666666667 0.97935556117394 15.999 > 109 112 O 0.83333333333333 0.66666666666667 0.97935556117394 15.999 > 109 113 O 0.31911003089243 0.31911003089243 0.66480969634547 15.999 > 113 114 O 0.81911003089243 0.31911003089243 0.66480969634547 15.999 > 113 115 O 0.31911003089243 0.81911003089243 0.66480969634547 15.999 > 113 116 O 0.81911003089243 0.81911003089243 0.66480969634547 15.999 > 113 117 O 0.34764976294576 0.34764976294576 0.33632335215983 15.999 > 117 118 O 0.84764976294576 0.34764976294576 0.33632335215983 15.999 > 117 119 O 0.34764976294576 0.84764976294576 0.33632335215983 15.999 > 117 120 O 0.84764976294576 0.84764976294576 0.33632335215983 15.999 > 117 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.1501878 -0.0000000 0.0000000 0.0000000 4.1501878 0.0000000 0.0000000 0.0000000 4.1870714 -------------------------- Born effective charges -------------------------- 1 Lu 3.8208753 -0.1036229 -0.0000000 0.1036230 3.8208753 0.0000000 0.0000000 -0.0000000 3.3590695 2 Lu 3.7481201 0.0000000 -0.0000000 -0.0000000 3.7481201 0.0000000 0.0000000 -0.0000000 3.4278627 3 Lu 3.7481201 0.0000000 -0.0000000 -0.0000000 3.7481201 0.0000000 0.0000000 -0.0000000 3.4278627 4 Lu 3.8208753 0.1036229 -0.0000000 -0.1036230 3.8208753 0.0000000 0.0000000 -0.0000000 3.3590695 5 Lu 3.8208753 -0.1036229 -0.0000000 0.1036230 3.8208753 0.0000000 0.0000000 -0.0000000 3.3590695 6 Lu 3.8208753 0.1036229 -0.0000000 -0.1036230 3.8208753 0.0000000 0.0000000 -0.0000000 3.3590695 7 Ga 2.8581762 0.0031207 0.0823133 0.0031207 2.8545727 -0.1425709 0.0256650 -0.0444530 3.4303692 8 Ga 2.8581762 0.0031207 -0.0823133 0.0031207 2.8545727 0.1425709 -0.0256650 0.0444530 3.4303692 9 Ga 2.8527710 0.0000000 -0.1646266 -0.0000000 2.8599779 0.0000000 -0.0513299 -0.0000000 3.4303692 10 Ga 2.8527710 0.0000000 0.1646266 -0.0000000 2.8599779 0.0000000 0.0513299 0.0000000 3.4303692 11 Ga 2.8581762 -0.0031207 -0.0823133 -0.0031207 2.8545727 -0.1425709 -0.0256650 -0.0444530 3.4303692 12 Ga 2.8581762 -0.0031207 0.0823133 -0.0031207 2.8545727 0.1425709 0.0256650 0.0444530 3.4303692 13 O -2.2753634 -0.0215518 0.0964431 -0.0215518 -2.2504775 -0.1670443 0.0685299 -0.1186972 -2.3846439 14 O -2.1776276 0.0020821 0.0884636 0.0020821 -2.1800318 -0.1532234 0.0551815 -0.0955772 -2.4843664 15 O -2.1776276 0.0020821 -0.0884636 0.0020821 -2.1800318 0.1532234 -0.0551815 0.0955772 -2.4843664 16 O -2.2753634 -0.0215518 -0.0964431 -0.0215518 -2.2504775 0.1670443 -0.0685299 0.1186972 -2.3846439 17 O -2.2144449 0.0051342 -0.0000000 -0.0051342 -2.2144449 0.0000000 0.0000000 -0.0000000 -1.9210389 18 O -2.2048538 -0.0000000 -0.0000000 -0.0000000 -2.2048538 0.0000000 0.0000000 -0.0000000 -1.9880004 19 O -2.2048538 -0.0000000 -0.0000000 -0.0000000 -2.2048538 0.0000000 0.0000000 -0.0000000 -1.9880004 20 O -2.2144449 -0.0051342 -0.0000000 0.0051342 -2.2144449 0.0000000 0.0000000 -0.0000000 -1.9210389 21 O -2.2380346 0.0000000 -0.1928862 -0.0000000 -2.2878063 0.0000000 -0.1370597 -0.0000000 -2.3846439 22 O -2.1812340 -0.0000000 -0.1769271 -0.0000000 -2.1764255 0.0000000 -0.1103631 -0.0000000 -2.4843664 23 O -2.2753634 0.0215518 -0.0964431 0.0215518 -2.2504775 -0.1670443 -0.0685299 -0.1186972 -2.3846439 24 O -2.1812340 -0.0000000 0.1769271 -0.0000000 -2.1764255 0.0000000 0.1103631 0.0000000 -2.4843664 25 O -2.2380346 0.0000000 0.1928862 -0.0000000 -2.2878063 0.0000000 0.1370597 0.0000000 -2.3846439 26 O -2.1776276 -0.0020821 -0.0884636 -0.0020821 -2.1800318 -0.1532234 -0.0551815 -0.0955772 -2.4843664 27 O -2.2144449 0.0051342 -0.0000000 -0.0051342 -2.2144449 0.0000000 0.0000000 -0.0000000 -1.9210389 28 O -2.2144449 -0.0051342 -0.0000000 0.0051342 -2.2144449 0.0000000 0.0000000 -0.0000000 -1.9210389 29 O -2.1776276 -0.0020821 0.0884636 -0.0020821 -2.1800318 0.1532234 0.0551815 0.0955772 -2.4843664 30 O -2.2753634 0.0215518 0.0964431 0.0215518 -2.2504775 0.1670443 0.0685299 0.1186972 -2.3846439 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000009 (yxy) -0.00000009 (yxy) -0.00000009 (yyx) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 10 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: 0.59, Number of G-points: 313, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/42) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 42 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 2.224 ( 0.000 -0.000 0.000) 0.000 2.224 ( 0.000 0.000 0.000) 0.000 2.774 ( 0.000 0.000 0.000) 0.000 2.881 ( -0.000 0.000 -0.000) 0.000 3.182 ( 0.000 0.000 -0.000) 0.000 3.453 ( 0.000 0.000 -0.000) 0.000 3.453 ( 0.000 0.000 0.000) 0.000 3.619 ( 0.000 -0.000 -0.000) 0.000 3.795 ( 0.000 0.000 0.000) 0.000 3.795 ( 0.000 0.000 0.000) 0.000 4.417 ( 0.000 0.000 0.000) 0.000 4.691 ( 0.000 -0.000 0.000) 0.000 4.691 ( -0.000 0.000 0.000) 0.000 4.775 ( 0.000 0.000 0.000) 0.000 4.775 ( 0.000 -0.000 0.000) 0.000 4.960 ( 0.000 -0.000 0.000) 0.000 4.960 ( 0.000 -0.000 0.000) 0.000 4.973 ( 0.000 -0.000 -0.000) 0.000 4.973 ( 0.000 0.000 0.000) 0.000 5.942 ( -0.000 -0.000 0.000) 0.000 5.942 ( -0.000 0.000 -0.000) 0.000 5.964 ( 0.000 0.000 0.000) 0.000 5.964 ( 0.000 0.000 0.000) 0.000 6.054 ( -0.000 -0.000 -0.000) 0.000 6.764 ( 0.000 -0.000 0.000) 0.000 7.554 ( 0.000 -0.000 0.000) 0.000 7.600 ( 0.000 0.000 -0.000) 0.000 7.600 ( 0.000 0.000 -0.000) 0.000 7.619 ( 0.000 -0.000 -0.000) 0.000 7.619 ( 0.000 0.000 -0.000) 0.000 7.707 ( 0.000 0.000 0.000) 0.000 7.709 ( 0.000 0.000 0.000) 0.000 7.742 ( 0.000 0.000 -0.000) 0.000 7.978 ( 0.000 0.000 0.000) 0.000 8.842 ( 0.000 -0.000 0.000) 0.000 9.159 ( 0.000 0.000 -0.000) 0.000 9.854 ( 0.000 0.000 0.000) 0.000 9.854 ( 0.000 -0.000 0.000) 0.000 9.948 ( 0.000 -0.000 0.000) 0.000 9.948 ( 0.000 0.000 0.000) 0.000 9.964 ( -0.000 0.000 0.000) 0.000 10.085 ( 0.000 0.000 0.000) 0.000 10.085 ( -0.000 0.000 -0.000) 0.000 10.230 ( 0.000 0.000 0.000) 0.000 10.230 ( 0.000 -0.000 0.000) 0.000 11.527 ( -0.000 -0.000 -0.000) 0.000 11.527 ( 0.000 0.000 0.000) 0.000 11.566 ( 0.000 0.000 -0.000) 0.000 11.680 ( 0.000 0.000 0.000) 0.000 11.759 ( 0.000 0.000 0.000) 0.000 11.783 ( 0.000 0.000 -0.000) 0.000 11.783 ( 0.000 -0.000 0.000) 0.000 11.998 ( 0.000 0.000 0.000) 0.000 11.998 ( -0.000 0.000 0.000) 0.000 12.353 ( 0.000 0.000 0.000) 0.000 12.353 ( 0.000 -0.000 -0.000) 0.000 12.457 ( 0.000 0.000 0.000) 0.000 12.457 ( 0.000 0.000 0.000) 0.000 12.647 ( 0.000 0.000 -0.000) 0.000 12.647 ( 0.000 0.000 0.000) 0.000 13.011 ( 0.000 0.000 0.000) 0.000 13.577 ( -0.000 -0.000 0.000) 0.000 13.934 ( 0.000 -0.000 0.000) 0.000 13.934 ( 0.000 0.000 -0.000) 0.000 14.346 ( 0.000 0.000 0.000) 0.000 14.391 ( 0.000 -0.000 0.000) 0.000 14.391 ( -0.000 0.000 -0.000) 0.000 15.013 ( 0.000 0.000 0.000) 0.000 15.697 ( 0.000 -0.000 0.000) 0.000 15.830 ( 0.000 -0.000 -0.000) 0.000 15.830 ( 0.000 -0.000 -0.000) 0.000 15.848 ( 0.000 0.000 -0.000) 0.000 15.848 ( -0.000 0.000 0.000) 0.000 15.984 ( -0.000 -0.000 -0.000) 0.000 16.068 ( 0.000 -0.000 0.000) 0.000 17.674 ( -0.000 -0.000 0.000) 0.000 17.674 ( 0.000 -0.000 0.000) 0.000 17.691 ( 0.000 0.000 0.000) 0.000 17.722 ( 0.000 -0.000 -0.000) 0.000 17.722 ( 0.000 0.000 -0.000) 0.000 18.638 ( 0.000 0.000 0.000) 0.000 18.638 ( 0.000 0.000 0.000) 0.000 18.682 ( 0.000 -0.000 0.000) 0.000 18.682 ( 0.000 0.000 0.000) 0.000 19.553 ( 0.000 0.000 -0.000) 0.000 19.592 ( -0.000 0.000 0.000) 0.000 21.032 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 1 (2/42) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.591 ( 26.071 15.052 0.000) 30.104 0.700 ( 30.448 17.579 0.000) 35.159 1.080 ( 46.869 27.060 0.000) 54.120 2.284 ( 5.272 3.044 0.000) 6.088 2.319 ( 7.995 4.616 0.000) 9.232 2.788 ( 1.228 0.709 0.000) 1.418 2.884 ( 0.195 0.112 0.000) 0.225 3.178 ( 0.186 0.108 0.000) 0.215 3.496 ( 3.002 1.733 0.000) 3.467 3.505 ( 4.509 2.603 0.000) 5.206 3.581 ( -1.993 -1.151 0.000) 2.302 3.826 ( 2.608 1.506 0.000) 3.011 3.979 ( 14.029 8.100 0.000) 16.200 4.502 ( -4.034 -2.329 0.000) 4.658 4.547 ( -13.062 -7.541 0.000) 15.083 4.575 ( 3.470 2.004 0.000) 4.007 4.582 ( -13.891 -8.020 0.000) 16.040 4.604 ( -15.277 -8.820 0.000) 17.640 4.843 ( 2.136 1.233 0.000) 2.467 4.878 ( 4.762 2.749 0.000) 5.499 5.236 ( 8.681 5.012 0.000) 10.024 5.270 ( 11.246 6.493 0.000) 12.985 5.774 ( -12.712 -7.339 0.000) 14.678 5.777 ( -11.748 -6.783 0.000) 13.566 5.866 ( -9.123 -5.267 0.000) 10.535 5.867 ( -7.583 -4.378 0.000) 8.756 6.117 ( 3.446 1.989 0.000) 3.979 6.774 ( 0.532 0.307 0.000) 0.615 7.353 ( -8.758 -5.056 0.000) 10.112 7.416 ( -9.806 -5.662 0.000) 11.323 7.589 ( 0.239 0.138 0.000) 0.276 7.689 ( 0.673 0.389 0.000) 0.778 7.718 ( 0.053 0.030 0.000) 0.061 7.749 ( 3.580 2.067 0.000) 4.134 7.807 ( 4.711 2.720 0.000) 5.440 7.841 ( 6.818 3.936 0.000) 7.873 8.083 ( 11.031 6.369 0.000) 12.738 8.922 ( 6.975 4.027 0.000) 8.054 9.168 ( 0.746 0.431 0.000) 0.861 9.766 ( -9.131 -5.272 0.000) 10.543 9.853 ( -4.677 -2.700 0.000) 5.400 9.883 ( -2.268 -1.309 0.000) 2.619 9.926 ( -1.232 -0.712 0.000) 1.423 10.110 ( -1.014 -0.585 0.000) 1.171 10.162 ( 4.814 2.779 0.000) 5.559 10.204 ( -2.236 -1.291 0.000) 2.582 10.286 ( 4.989 2.880 0.000) 5.760 11.088 ( -20.929 -12.084 0.000) 24.167 11.268 ( -18.362 -10.601 0.000) 21.203 11.503 ( -2.399 -1.385 0.000) 2.771 11.549 ( -0.605 -0.349 0.000) 0.698 11.797 ( -1.015 -0.586 0.000) 1.172 11.842 ( -10.331 -5.964 0.000) 11.929 11.953 ( -0.995 -0.575 0.000) 1.149 12.151 ( 14.086 8.132 0.000) 16.265 12.229 ( -0.494 -0.285 0.000) 0.570 12.286 ( 9.093 5.250 0.000) 10.500 12.312 ( -3.251 -1.877 0.000) 3.754 12.335 ( 11.525 6.654 0.000) 13.308 12.439 ( -2.765 -1.596 0.000) 3.193 12.508 ( 7.233 4.176 0.000) 8.352 12.658 ( 2.220 1.282 0.000) 2.564 12.974 ( -3.168 -1.829 0.000) 3.658 13.567 ( -3.127 -1.805 0.000) 3.611 13.639 ( -0.399 -0.230 0.000) 0.461 13.955 ( 1.794 1.036 0.000) 2.072 14.240 ( -5.555 -3.207 0.000) 6.414 14.401 ( 0.888 0.513 0.000) 1.025 14.557 ( 10.725 6.192 0.000) 12.385 15.035 ( 1.381 0.797 0.000) 1.594 15.541 ( -9.398 -5.426 0.000) 10.852 15.717 ( -8.294 -4.788 0.000) 9.577 15.774 ( -5.130 -2.962 0.000) 5.923 15.810 ( -2.498 -1.442 0.000) 2.885 15.949 ( 6.090 3.516 0.000) 7.032 16.032 ( 1.452 0.838 0.000) 1.676 16.079 ( 0.513 0.296 0.000) 0.592 17.459 ( -6.096 -3.519 0.000) 7.039 17.669 ( 0.779 0.450 0.000) 0.900 17.709 ( 0.386 0.223 0.000) 0.446 17.739 ( 1.485 0.857 0.000) 1.714 17.822 ( 7.631 4.405 0.000) 8.811 18.070 ( 0.212 0.122 0.000) 0.245 18.627 ( -0.351 -0.203 0.000) 0.405 18.648 ( 1.248 0.720 0.000) 1.440 18.708 ( 1.772 1.023 0.000) 2.047 18.728 ( 3.617 2.088 0.000) 4.177 19.580 ( 1.890 1.091 0.000) 2.183 19.589 ( -0.312 -0.180 0.000) 0.360 20.932 ( -8.624 -4.979 0.000) 9.958 ======================= Grid point 2 (3/42) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.175 ( 25.565 14.760 0.000) 29.520 1.355 ( 27.227 15.720 0.000) 31.439 2.099 ( 42.820 24.722 0.000) 49.444 2.455 ( 9.711 5.607 0.000) 11.213 2.550 ( 11.583 6.688 0.000) 13.375 2.828 ( 2.283 1.318 0.000) 2.636 2.887 ( 0.041 0.024 0.000) 0.048 3.207 ( 2.347 1.355 0.000) 2.710 3.536 ( -1.649 -0.952 0.000) 1.905 3.561 ( 2.493 1.439 0.000) 2.879 3.656 ( 8.260 4.769 0.000) 9.537 3.900 ( 3.352 1.935 0.000) 3.870 4.100 ( -20.901 -12.067 0.000) 24.134 4.210 ( -16.818 -9.710 0.000) 19.420 4.252 ( -1.759 -1.016 0.000) 2.032 4.277 ( -11.228 -6.483 0.000) 12.965 4.512 ( 13.836 7.988 0.000) 15.977 4.733 ( -1.199 -0.692 0.000) 1.385 4.979 ( 4.349 2.511 0.000) 5.022 5.013 ( 17.250 9.959 0.000) 19.919 5.299 ( -12.218 -7.054 0.000) 14.108 5.339 ( -1.040 -0.600 0.000) 1.200 5.444 ( -13.924 -8.039 0.000) 16.079 5.590 ( -14.315 -8.265 0.000) 16.530 5.628 ( -12.998 -7.504 0.000) 15.008 5.654 ( 5.645 3.259 0.000) 6.519 6.211 ( 5.113 2.952 0.000) 5.904 6.773 ( -0.790 -0.456 0.000) 0.913 7.182 ( -10.590 -6.114 0.000) 12.228 7.201 ( -4.654 -2.687 0.000) 5.374 7.596 ( -0.664 -0.383 0.000) 0.766 7.622 ( -6.644 -3.836 0.000) 7.672 7.699 ( -2.540 -1.467 0.000) 2.933 7.762 ( -1.817 -1.049 0.000) 2.098 7.930 ( 6.313 3.645 0.000) 7.289 7.971 ( 5.059 2.921 0.000) 5.842 8.437 ( 18.522 10.694 0.000) 21.387 9.143 ( 12.189 7.037 0.000) 14.075 9.190 ( 1.050 0.606 0.000) 1.213 9.549 ( -8.430 -4.867 0.000) 9.734 9.738 ( -5.216 -3.011 0.000) 6.023 9.849 ( -0.640 -0.370 0.000) 0.739 9.914 ( -0.366 -0.211 0.000) 0.423 10.013 ( -6.384 -3.686 0.000) 7.371 10.144 ( -3.050 -1.761 0.000) 3.522 10.257 ( 3.499 2.020 0.000) 4.040 10.439 ( 7.669 4.428 0.000) 8.855 10.691 ( -14.201 -8.199 0.000) 16.398 10.897 ( -14.566 -8.410 0.000) 16.820 11.385 ( -8.269 -4.774 0.000) 9.548 11.554 ( -13.686 -7.902 0.000) 15.803 11.587 ( 3.411 1.969 0.000) 3.939 11.695 ( -5.265 -3.040 0.000) 6.080 12.034 ( 6.466 3.733 0.000) 7.466 12.118 ( -8.264 -4.771 0.000) 9.543 12.153 ( -5.768 -3.330 0.000) 6.660 12.255 ( -1.221 -0.705 0.000) 1.409 12.352 ( -4.827 -2.787 0.000) 5.574 12.355 ( 0.896 0.517 0.000) 1.034 12.573 ( 0.539 0.311 0.000) 0.623 12.748 ( 15.753 9.095 0.000) 18.190 12.879 ( -5.025 -2.901 0.000) 5.802 13.052 ( 26.209 15.132 0.000) 30.264 13.426 ( -7.880 -4.549 0.000) 9.099 13.673 ( 2.166 1.250 0.000) 2.501 13.998 ( 0.756 0.436 0.000) 0.873 14.127 ( -2.858 -1.650 0.000) 3.300 14.429 ( 1.584 0.914 0.000) 1.829 14.836 ( 13.047 7.533 0.000) 15.066 15.041 ( -1.528 -0.882 0.000) 1.764 15.324 ( -9.495 -5.482 0.000) 10.964 15.518 ( -8.900 -5.138 0.000) 10.276 15.614 ( -8.704 -5.025 0.000) 10.050 15.736 ( -3.925 -2.266 0.000) 4.533 16.014 ( -2.879 -1.662 0.000) 3.325 16.071 ( -1.404 -0.811 0.000) 1.621 16.074 ( 5.197 3.000 0.000) 6.000 17.288 ( -8.892 -5.134 0.000) 10.268 17.708 ( -0.366 -0.211 0.000) 0.423 17.717 ( 3.275 1.891 0.000) 3.782 17.761 ( 0.241 0.139 0.000) 0.278 18.047 ( 11.839 6.836 0.000) 13.671 18.089 ( 1.450 0.837 0.000) 1.675 18.637 ( 1.285 0.742 0.000) 1.484 18.699 ( 3.187 1.840 0.000) 3.680 18.752 ( 2.183 1.260 0.000) 2.521 18.834 ( 5.561 3.211 0.000) 6.422 19.571 ( -1.474 -0.851 0.000) 1.702 19.611 ( 0.391 0.226 0.000) 0.452 20.662 ( -14.706 -8.490 0.000) 16.981 ======================= Grid point 3 (4/42) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.743 ( 24.659 14.237 0.000) 28.474 1.917 ( 22.352 12.905 0.000) 25.809 2.701 ( 12.484 7.208 0.000) 14.415 2.806 ( 10.276 5.933 0.000) 11.866 2.876 ( -0.500 -0.288 0.000) 0.577 2.888 ( 2.966 1.712 0.000) 3.425 2.983 ( 31.494 18.183 0.000) 36.366 3.263 ( 1.961 1.132 0.000) 2.265 3.526 ( 2.793 1.613 0.000) 3.225 3.584 ( -3.132 -1.808 0.000) 3.617 3.638 ( -18.247 -10.535 0.000) 21.070 3.851 ( 5.094 2.941 0.000) 5.882 3.858 ( -10.629 -6.137 0.000) 12.273 3.883 ( -6.918 -3.994 0.000) 7.988 4.078 ( -6.027 -3.479 0.000) 6.959 4.162 ( 3.187 1.840 0.000) 3.680 4.610 ( -8.064 -4.656 0.000) 9.312 4.912 ( 10.309 5.952 0.000) 11.904 4.950 ( -14.778 -8.532 0.000) 17.064 5.023 ( -9.465 -5.465 0.000) 10.929 5.215 ( -1.831 -1.057 0.000) 2.114 5.258 ( 2.265 1.308 0.000) 2.615 5.267 ( -13.703 -7.912 0.000) 15.823 5.306 ( -7.651 -4.418 0.000) 8.835 5.524 ( 19.852 11.462 0.000) 22.924 5.826 ( 7.471 4.314 0.000) 8.627 6.352 ( 7.351 4.244 0.000) 8.488 6.742 ( -1.799 -1.038 0.000) 2.077 6.950 ( -9.783 -5.648 0.000) 11.296 7.129 ( -2.395 -1.383 0.000) 2.765 7.409 ( -11.578 -6.685 0.000) 13.369 7.494 ( -8.872 -5.122 0.000) 10.244 7.594 ( -6.301 -3.638 0.000) 7.275 7.734 ( 0.110 0.064 0.000) 0.127 8.060 ( 2.797 1.615 0.000) 3.230 8.086 ( 7.044 4.067 0.000) 8.134 8.879 ( 20.025 11.561 0.000) 23.123 9.212 ( 1.004 0.580 0.000) 1.160 9.417 ( -3.299 -1.904 0.000) 3.809 9.449 ( 14.174 8.184 0.000) 16.367 9.628 ( -4.410 -2.546 0.000) 5.092 9.850 ( 0.521 0.301 0.000) 0.602 9.871 ( -3.755 -2.168 0.000) 4.335 9.906 ( -2.163 -1.249 0.000) 2.498 10.076 ( -2.465 -1.423 0.000) 2.846 10.331 ( 3.388 1.956 0.000) 3.912 10.434 ( -8.969 -5.179 0.000) 10.357 10.592 ( 5.125 2.959 0.000) 5.918 10.605 ( -11.311 -6.530 0.000) 13.061 11.143 ( -12.530 -7.234 0.000) 14.469 11.271 ( -10.783 -6.225 0.000) 12.451 11.527 ( -5.560 -3.210 0.000) 6.420 11.733 ( 2.573 1.486 0.000) 2.971 11.907 ( -9.651 -5.572 0.000) 11.144 12.012 ( -2.276 -1.314 0.000) 2.628 12.202 ( 0.126 0.073 0.000) 0.146 12.253 ( 0.971 0.561 0.000) 1.121 12.259 ( 3.451 1.992 0.000) 3.985 12.350 ( -0.750 -0.433 0.000) 0.866 12.550 ( -1.616 -0.933 0.000) 1.866 12.763 ( -4.726 -2.728 0.000) 5.457 13.091 ( 13.389 7.730 0.000) 15.461 13.240 ( -8.272 -4.776 0.000) 9.552 13.584 ( 17.607 10.165 0.000) 20.331 13.713 ( 1.116 0.644 0.000) 1.289 13.972 ( 1.215 0.701 0.000) 1.403 14.169 ( 4.805 2.774 0.000) 5.548 14.472 ( 2.247 1.297 0.000) 2.595 14.954 ( -5.861 -3.384 0.000) 6.768 15.099 ( 8.381 4.839 0.000) 9.678 15.123 ( -7.993 -4.615 0.000) 9.230 15.320 ( -8.856 -5.113 0.000) 10.226 15.410 ( -7.560 -4.365 0.000) 8.730 15.635 ( -4.978 -2.874 0.000) 5.748 15.919 ( -5.143 -2.969 0.000) 5.939 16.018 ( -3.028 -1.748 0.000) 3.496 16.200 ( 6.280 3.626 0.000) 7.252 17.068 ( -10.322 -5.959 0.000) 11.918 17.696 ( -0.615 -0.355 0.000) 0.710 17.755 ( -0.529 -0.306 0.000) 0.611 17.800 ( 3.669 2.118 0.000) 4.236 18.128 ( 1.808 1.044 0.000) 2.087 18.331 ( 12.615 7.283 0.000) 14.567 18.682 ( 2.301 1.328 0.000) 2.657 18.781 ( 3.743 2.161 0.000) 4.321 18.817 ( 4.050 2.338 0.000) 4.676 18.973 ( 6.675 3.854 0.000) 7.707 19.517 ( -3.355 -1.937 0.000) 3.874 19.589 ( -2.184 -1.261 0.000) 2.522 20.293 ( -17.394 -10.042 0.000) 20.085 ======================= Grid point 4 (5/42) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.284 ( 23.162 13.372 0.000) 26.745 2.353 ( 16.019 9.248 0.000) 18.497 2.823 ( -3.933 -2.271 0.000) 4.542 2.928 ( 1.460 0.843 0.000) 1.685 2.998 ( 4.140 2.390 0.000) 4.780 2.998 ( 13.041 7.529 0.000) 15.059 3.276 ( -9.478 -5.472 0.000) 10.944 3.293 ( -9.945 -5.742 0.000) 11.484 3.310 ( 0.757 0.437 0.000) 0.874 3.326 ( -5.194 -2.999 0.000) 5.998 3.665 ( -10.841 -6.259 0.000) 12.518 3.707 ( -6.937 -4.005 0.000) 8.011 3.858 ( 5.627 3.249 0.000) 6.497 3.951 ( 24.914 14.384 0.000) 28.768 4.213 ( 12.513 7.225 0.000) 14.449 4.317 ( 8.353 4.823 0.000) 9.645 4.414 ( -7.582 -4.377 0.000) 8.755 4.675 ( -9.017 -5.206 0.000) 10.412 4.745 ( -12.350 -7.130 0.000) 14.260 4.914 ( -15.621 -9.019 0.000) 18.038 4.933 ( -9.718 -5.611 0.000) 11.222 4.993 ( -6.724 -3.882 0.000) 7.764 5.066 ( -7.796 -4.501 0.000) 9.002 5.809 ( 27.901 16.109 0.000) 32.217 5.906 ( 7.129 4.116 0.000) 8.232 6.041 ( 16.134 9.315 0.000) 18.630 6.518 ( 5.252 3.032 0.000) 6.064 6.680 ( -4.893 -2.825 0.000) 5.650 6.755 ( -6.103 -3.523 0.000) 7.047 7.030 ( -8.203 -4.736 0.000) 9.472 7.133 ( -12.065 -6.966 0.000) 13.932 7.278 ( -6.706 -3.872 0.000) 7.743 7.446 ( -5.971 -3.447 0.000) 6.894 7.748 ( 0.659 0.381 0.000) 0.761 8.102 ( 1.074 0.620 0.000) 1.240 8.227 ( 4.908 2.833 0.000) 5.667 9.242 ( 1.594 0.920 0.000) 1.840 9.306 ( 16.635 9.604 0.000) 19.209 9.377 ( -0.776 -0.448 0.000) 0.896 9.548 ( -2.445 -1.412 0.000) 2.823 9.743 ( 10.814 6.243 0.000) 12.486 9.820 ( -0.928 -0.536 0.000) 1.072 9.851 ( -2.271 -1.311 0.000) 2.622 9.858 ( -0.314 -0.181 0.000) 0.363 10.048 ( -0.086 -0.049 0.000) 0.099 10.276 ( -4.727 -2.729 0.000) 5.458 10.388 ( -7.870 -4.544 0.000) 9.087 10.417 ( 4.152 2.397 0.000) 4.794 10.642 ( -1.139 -0.658 0.000) 1.315 10.864 ( -10.635 -6.140 0.000) 12.280 11.086 ( -5.402 -3.119 0.000) 6.238 11.438 ( -1.622 -0.936 0.000) 1.873 11.637 ( -7.766 -4.484 0.000) 8.968 11.714 ( -6.748 -3.896 0.000) 7.792 12.106 ( 2.304 1.330 0.000) 2.661 12.110 ( 0.677 0.391 0.000) 0.781 12.306 ( 3.365 1.943 0.000) 3.886 12.332 ( -0.751 -0.433 0.000) 0.867 12.405 ( 3.288 1.898 0.000) 3.796 12.516 ( -1.211 -0.699 0.000) 1.398 12.709 ( 1.474 0.851 0.000) 1.702 13.060 ( -7.598 -4.386 0.000) 8.773 13.337 ( 8.257 4.767 0.000) 9.535 13.700 ( -2.412 -1.393 0.000) 2.785 13.722 ( -0.179 -0.103 0.000) 0.206 14.213 ( 12.959 7.482 0.000) 14.964 14.307 ( 9.035 5.216 0.000) 10.432 14.533 ( 3.103 1.792 0.000) 3.583 14.803 ( -6.797 -3.924 0.000) 7.849 14.976 ( -4.752 -2.744 0.000) 5.488 15.040 ( -11.380 -6.570 0.000) 13.140 15.145 ( -5.773 -3.333 0.000) 6.666 15.426 ( 6.418 3.705 0.000) 7.410 15.524 ( -4.234 -2.444 0.000) 4.889 15.798 ( -5.242 -3.026 0.000) 6.053 15.952 ( -2.404 -1.388 0.000) 2.776 16.357 ( 7.343 4.240 0.000) 8.479 16.838 ( -9.620 -5.554 0.000) 11.108 17.683 ( -0.498 -0.288 0.000) 0.576 17.744 ( -0.376 -0.217 0.000) 0.434 17.868 ( 2.186 1.262 0.000) 2.525 18.162 ( 1.115 0.644 0.000) 1.287 18.575 ( 8.136 4.697 0.000) 9.395 18.717 ( 0.564 0.326 0.000) 0.651 18.854 ( 2.439 1.408 0.000) 2.817 18.961 ( 8.434 4.869 0.000) 9.739 19.129 ( 7.025 4.056 0.000) 8.112 19.419 ( -5.248 -3.030 0.000) 6.060 19.536 ( -1.549 -0.894 0.000) 1.789 19.903 ( -16.488 -9.519 0.000) 19.039 ======================= Grid point 5 (6/42) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.596 ( -0.000 -0.000 0.000) 0.000 2.719 ( 0.000 0.000 0.000) 0.000 2.755 ( -0.000 -0.000 0.000) 0.000 2.794 ( 0.000 0.000 0.000) 0.000 3.001 ( -0.000 -0.000 0.000) 0.000 3.063 ( 0.000 0.000 0.000) 0.000 3.126 ( -0.000 -0.000 0.000) 0.000 3.309 ( -0.000 -0.000 0.000) 0.000 3.314 ( -0.000 -0.000 0.000) 0.000 3.377 ( 0.000 0.000 0.000) 0.000 3.401 ( 0.000 0.000 0.000) 0.000 3.604 ( 0.000 0.000 0.000) 0.000 3.954 ( -0.000 -0.000 0.000) 0.000 4.281 ( 0.000 0.000 0.000) 0.000 4.425 ( -0.000 -0.000 0.000) 0.000 4.455 ( -0.000 -0.000 0.000) 0.000 4.554 ( -0.000 -0.000 0.000) 0.000 4.562 ( 0.000 0.000 0.000) 0.000 4.582 ( -0.000 -0.000 0.000) 0.000 4.613 ( 0.000 0.000 0.000) 0.000 4.620 ( 0.000 0.000 0.000) 0.000 4.817 ( 0.000 0.000 0.000) 0.000 5.047 ( 0.000 0.000 0.000) 0.000 5.967 ( 0.000 0.000 0.000) 0.000 6.371 ( -0.000 -0.000 0.000) 0.000 6.387 ( -0.000 -0.000 0.000) 0.000 6.395 ( 0.000 0.000 0.000) 0.000 6.429 ( 0.000 0.000 0.000) 0.000 6.775 ( -0.000 -0.000 0.000) 0.000 6.892 ( 0.000 0.000 0.000) 0.000 6.936 ( 0.000 0.000 0.000) 0.000 7.220 ( 0.000 0.000 0.000) 0.000 7.369 ( 0.000 0.000 0.000) 0.000 7.756 ( 0.000 0.000 0.000) 0.000 8.113 ( 0.000 0.000 0.000) 0.000 8.286 ( -0.000 -0.000 0.000) 0.000 9.266 ( 0.000 0.000 0.000) 0.000 9.369 ( 0.000 0.000 0.000) 0.000 9.521 ( 0.000 0.000 0.000) 0.000 9.532 ( 0.000 0.000 0.000) 0.000 9.802 ( 0.000 0.000 0.000) 0.000 9.835 ( 0.000 0.000 0.000) 0.000 9.837 ( 0.000 0.000 0.000) 0.000 9.880 ( 0.000 0.000 0.000) 0.000 10.050 ( 0.000 0.000 0.000) 0.000 10.240 ( 0.000 0.000 0.000) 0.000 10.272 ( 0.000 0.000 0.000) 0.000 10.490 ( 0.000 0.000 0.000) 0.000 10.581 ( 0.000 0.000 0.000) 0.000 10.740 ( -0.000 -0.000 0.000) 0.000 11.026 ( 0.000 0.000 0.000) 0.000 11.452 ( -0.000 -0.000 0.000) 0.000 11.507 ( 0.000 0.000 0.000) 0.000 11.633 ( 0.000 0.000 0.000) 0.000 12.063 ( 0.000 0.000 0.000) 0.000 12.198 ( 0.000 0.000 0.000) 0.000 12.322 ( 0.000 0.000 0.000) 0.000 12.380 ( -0.000 -0.000 0.000) 0.000 12.389 ( 0.000 0.000 0.000) 0.000 12.501 ( 0.000 0.000 0.000) 0.000 12.786 ( 0.000 0.000 0.000) 0.000 12.934 ( -0.000 -0.000 0.000) 0.000 13.442 ( 0.000 0.000 0.000) 0.000 13.652 ( 0.000 0.000 0.000) 0.000 13.717 ( 0.000 0.000 0.000) 0.000 14.326 ( 0.000 0.000 0.000) 0.000 14.538 ( -0.000 -0.000 0.000) 0.000 14.591 ( 0.000 0.000 0.000) 0.000 14.698 ( 0.000 0.000 0.000) 0.000 14.827 ( 0.000 0.000 0.000) 0.000 14.921 ( 0.000 0.000 0.000) 0.000 15.070 ( 0.000 0.000 0.000) 0.000 15.471 ( 0.000 0.000 0.000) 0.000 15.526 ( -0.000 -0.000 0.000) 0.000 15.718 ( 0.000 0.000 0.000) 0.000 15.923 ( 0.000 0.000 0.000) 0.000 16.479 ( -0.000 -0.000 0.000) 0.000 16.690 ( 0.000 0.000 0.000) 0.000 17.677 ( 0.000 0.000 0.000) 0.000 17.740 ( 0.000 0.000 0.000) 0.000 17.893 ( 0.000 0.000 0.000) 0.000 18.175 ( 0.000 0.000 0.000) 0.000 18.682 ( 0.000 0.000 0.000) 0.000 18.708 ( 0.000 0.000 0.000) 0.000 18.882 ( 0.000 0.000 0.000) 0.000 19.096 ( 0.000 0.000 0.000) 0.000 19.279 ( -0.000 -0.000 0.000) 0.000 19.289 ( 0.000 0.000 0.000) 0.000 19.572 ( 0.000 0.000 0.000) 0.000 19.623 ( -0.000 -0.000 0.000) 0.000 ======================= Grid point 12 (7/42) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( 14.194 24.584 0.000) 28.387 1.187 ( 16.316 28.260 0.000) 32.632 1.844 ( 25.962 44.968 0.000) 51.925 2.393 ( 4.585 7.941 0.000) 9.169 2.486 ( 6.659 11.533 0.000) 13.317 2.816 ( 1.214 2.104 0.000) 2.429 2.887 ( 0.100 0.172 0.000) 0.199 3.197 ( 1.251 2.166 0.000) 2.501 3.544 ( 0.240 0.416 0.000) 0.481 3.553 ( 0.380 0.659 0.000) 0.761 3.595 ( 3.802 6.585 0.000) 7.603 3.880 ( 2.036 3.527 0.000) 4.073 4.211 ( 4.057 7.026 0.000) 8.113 4.265 ( -10.845 -18.784 0.000) 21.690 4.272 ( -11.002 -19.055 0.000) 22.003 4.376 ( -6.543 -11.332 0.000) 13.085 4.437 ( 1.515 2.624 0.000) 3.030 4.776 ( 6.626 11.477 0.000) 13.252 4.869 ( 0.089 0.154 0.000) 0.178 4.971 ( 5.627 9.746 0.000) 11.254 5.321 ( -2.146 -3.717 0.000) 4.292 5.393 ( 2.575 4.460 0.000) 5.150 5.540 ( -6.725 -11.648 0.000) 13.450 5.627 ( -6.592 -11.417 0.000) 13.184 5.640 ( -5.185 -8.981 0.000) 10.370 5.717 ( -7.093 -12.285 0.000) 14.186 6.183 ( 2.676 4.635 0.000) 5.352 6.778 ( -0.085 -0.147 0.000) 0.169 7.182 ( -5.411 -9.372 0.000) 10.822 7.320 ( -3.554 -6.156 0.000) 7.108 7.561 ( -1.306 -2.262 0.000) 2.611 7.668 ( -0.057 -0.099 0.000) 0.114 7.735 ( -0.111 -0.193 0.000) 0.222 7.815 ( 0.439 0.760 0.000) 0.878 7.816 ( -0.034 -0.058 0.000) 0.067 7.956 ( 3.303 5.721 0.000) 6.606 8.320 ( 9.822 17.012 0.000) 19.644 9.072 ( 6.335 10.972 0.000) 12.669 9.185 ( 0.692 1.199 0.000) 1.385 9.650 ( -5.370 -9.302 0.000) 10.741 9.712 ( -2.486 -4.305 0.000) 4.971 9.839 ( -3.453 -5.981 0.000) 6.907 9.894 ( -0.081 -0.141 0.000) 0.162 10.136 ( -0.869 -1.504 0.000) 1.737 10.195 ( 0.221 0.383 0.000) 0.442 10.223 ( 2.622 4.541 0.000) 5.243 10.335 ( 1.646 2.851 0.000) 3.292 10.758 ( -10.206 -17.678 0.000) 20.412 10.987 ( -7.986 -13.832 0.000) 15.972 11.452 ( -4.576 -7.926 0.000) 9.152 11.582 ( -7.163 -12.406 0.000) 14.325 11.635 ( 3.357 5.815 0.000) 6.714 11.826 ( -4.115 -7.128 0.000) 8.231 11.844 ( 1.735 3.005 0.000) 3.470 12.194 ( -1.498 -2.595 0.000) 2.996 12.217 ( -2.839 -4.918 0.000) 5.678 12.224 ( -2.909 -5.039 0.000) 5.819 12.348 ( -0.300 -0.519 0.000) 0.599 12.375 ( -1.882 -3.260 0.000) 3.765 12.615 ( -0.080 -0.139 0.000) 0.160 12.719 ( 13.619 23.588 0.000) 27.237 12.811 ( 12.174 21.086 0.000) 24.348 12.910 ( -2.580 -4.468 0.000) 5.159 13.471 ( -4.243 -7.349 0.000) 8.486 13.658 ( 1.159 2.008 0.000) 2.318 13.999 ( 1.809 3.134 0.000) 3.619 14.130 ( -3.882 -6.723 0.000) 7.764 14.437 ( 1.294 2.242 0.000) 2.589 14.752 ( 7.388 12.797 0.000) 14.777 15.047 ( -0.207 -0.358 0.000) 0.414 15.382 ( -5.593 -9.688 0.000) 11.187 15.571 ( -5.229 -9.058 0.000) 10.459 15.642 ( -4.911 -8.506 0.000) 9.822 15.812 ( -0.417 -0.723 0.000) 0.834 15.974 ( -0.512 -0.887 0.000) 1.025 16.069 ( 1.282 2.220 0.000) 2.563 16.077 ( -0.492 -0.852 0.000) 0.984 17.336 ( -4.926 -8.532 0.000) 9.852 17.680 ( 0.768 1.331 0.000) 1.537 17.728 ( 0.545 0.944 0.000) 1.090 17.784 ( 1.274 2.207 0.000) 2.548 17.957 ( 5.531 9.579 0.000) 11.061 18.075 ( 0.578 1.001 0.000) 1.156 18.635 ( 0.462 0.800 0.000) 0.924 18.670 ( 1.349 2.336 0.000) 2.698 18.765 ( 2.084 3.609 0.000) 4.168 18.784 ( 2.389 4.138 0.000) 4.778 19.577 ( -0.658 -1.140 0.000) 1.317 19.612 ( 0.833 1.442 0.000) 1.666 20.747 ( -7.738 -13.403 0.000) 15.476 ======================= Grid point 13 (8/42) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( 19.638 18.464 0.000) 26.955 1.731 ( 18.332 21.151 0.000) 27.989 2.585 ( 8.820 8.294 0.000) 12.107 2.710 ( 23.654 28.765 0.000) 37.242 2.737 ( 12.866 16.477 0.000) 20.904 2.867 ( 1.867 2.329 0.000) 2.985 2.888 ( -0.021 0.345 0.000) 0.346 3.257 ( 1.824 3.543 0.000) 3.985 3.518 ( -0.281 -0.334 0.000) 0.436 3.593 ( 0.231 0.829 0.000) 0.860 3.748 ( 6.102 3.495 0.000) 7.032 3.824 ( -15.904 -14.673 0.000) 21.638 3.910 ( -6.426 -12.757 0.000) 14.284 3.944 ( -4.444 -5.140 0.000) 6.795 4.096 ( -5.319 -10.217 0.000) 11.519 4.180 ( -3.963 -3.752 0.000) 5.458 4.732 ( -1.674 5.194 0.000) 5.457 4.813 ( 5.444 10.868 0.000) 12.155 4.975 ( 8.223 -0.443 0.000) 8.235 5.069 ( -7.860 -9.847 0.000) 12.599 5.225 ( -11.388 -9.994 0.000) 15.151 5.286 ( -6.000 -10.586 0.000) 12.168 5.357 ( 10.542 15.230 0.000) 18.522 5.409 ( -9.546 -10.198 0.000) 13.969 5.493 ( -8.457 2.626 0.000) 8.856 5.690 ( 10.000 -0.624 0.000) 10.020 6.298 ( 4.890 5.897 0.000) 7.660 6.767 ( -1.096 0.058 0.000) 1.098 7.008 ( -5.233 -8.598 0.000) 10.066 7.187 ( -6.247 -1.868 0.000) 6.520 7.526 ( 0.333 -5.490 0.000) 5.501 7.610 ( -10.203 1.228 0.000) 10.277 7.627 ( -7.400 -2.408 0.000) 7.782 7.781 ( -3.148 -0.994 0.000) 3.301 7.892 ( 9.492 -4.975 0.000) 10.717 8.044 ( 3.471 1.682 0.000) 3.857 8.704 ( 15.348 16.010 0.000) 22.179 9.212 ( 0.756 1.726 0.000) 1.885 9.331 ( 10.153 11.174 0.000) 15.097 9.475 ( -5.505 -2.892 0.000) 6.218 9.680 ( -1.773 -2.251 0.000) 2.865 9.715 ( 0.384 -6.491 0.000) 6.502 9.905 ( 0.851 -0.305 0.000) 0.904 10.071 ( -4.077 -1.339 0.000) 4.291 10.125 ( -8.967 4.375 0.000) 9.977 10.321 ( 2.201 4.057 0.000) 4.615 10.428 ( 6.870 -5.553 0.000) 8.834 10.473 ( -4.177 -10.578 0.000) 11.373 10.747 ( -8.633 -5.910 0.000) 10.462 11.223 ( -8.787 -11.430 0.000) 14.418 11.365 ( -7.641 -8.956 0.000) 11.773 11.639 ( -8.151 -3.243 0.000) 8.773 11.747 ( 0.143 8.847 0.000) 8.848 11.977 ( 2.528 -3.211 0.000) 4.087 12.062 ( -1.380 -3.182 0.000) 3.468 12.097 ( -2.972 -2.144 0.000) 3.665 12.218 ( 2.468 -0.673 0.000) 2.558 12.274 ( -4.577 -4.338 0.000) 6.306 12.334 ( 1.246 -3.812 0.000) 4.011 12.574 ( -2.440 -1.695 0.000) 2.971 12.810 ( -4.105 -3.749 0.000) 5.560 13.070 ( 4.887 17.858 0.000) 18.514 13.280 ( 4.030 1.493 0.000) 4.298 13.369 ( 13.362 7.900 0.000) 15.523 13.699 ( 1.219 1.160 0.000) 1.683 13.990 ( -3.960 -2.719 0.000) 4.804 14.094 ( 5.005 0.671 0.000) 5.049 14.482 ( 0.701 3.588 0.000) 3.656 14.994 ( -1.472 -2.108 0.000) 2.572 15.015 ( 6.895 7.734 0.000) 10.361 15.191 ( -6.487 -7.391 0.000) 9.834 15.387 ( -6.624 -7.820 0.000) 10.249 15.450 ( -6.233 -10.054 0.000) 11.829 15.768 ( -7.044 4.120 0.000) 8.160 15.932 ( -0.502 -5.649 0.000) 5.671 16.041 ( -1.908 -2.159 0.000) 2.881 16.118 ( 3.956 0.416 0.000) 3.978 17.139 ( -7.476 -9.763 0.000) 12.297 17.706 ( 0.030 1.021 0.000) 1.022 17.741 ( 0.724 -0.454 0.000) 0.854 17.810 ( -0.291 3.029 0.000) 3.043 18.116 ( 1.662 3.485 0.000) 3.861 18.193 ( 11.253 7.609 0.000) 13.584 18.663 ( 1.467 1.701 0.000) 2.246 18.744 ( 3.676 3.832 0.000) 5.310 18.826 ( 0.377 5.345 0.000) 5.358 18.898 ( 6.089 3.310 0.000) 6.930 19.538 ( -1.948 -2.518 0.000) 3.184 19.615 ( -1.338 -0.249 0.000) 1.361 20.431 ( -12.721 -14.684 0.000) 19.428 ======================= Grid point 14 (9/42) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.018 ( 21.953 13.714 0.000) 25.884 2.198 ( 15.577 14.974 0.000) 21.607 2.826 ( 8.969 4.217 0.000) 9.910 2.867 ( 0.648 0.750 0.000) 0.991 2.924 ( 2.470 4.679 0.000) 5.291 2.960 ( 5.327 5.947 0.000) 7.984 3.279 ( 5.741 6.407 0.000) 8.602 3.299 ( -0.293 1.710 0.000) 1.735 3.402 ( -12.057 -12.161 0.000) 17.125 3.441 ( -13.260 -14.129 0.000) 19.377 3.670 ( 6.558 5.926 0.000) 8.839 3.725 ( -0.086 -4.846 0.000) 4.847 3.801 ( 6.309 5.995 0.000) 8.703 3.872 ( -2.762 0.716 0.000) 2.853 4.070 ( 9.881 3.905 0.000) 10.625 4.232 ( 6.312 4.461 0.000) 7.730 4.567 ( -12.271 -0.512 0.000) 12.282 4.762 ( -9.056 -9.632 0.000) 13.221 4.860 ( -11.708 -9.922 0.000) 15.347 4.945 ( 3.752 -3.783 0.000) 5.329 5.007 ( -7.700 -12.775 0.000) 14.916 5.056 ( -13.012 -12.115 0.000) 17.779 5.284 ( -16.233 1.371 0.000) 16.291 5.533 ( 22.771 18.868 0.000) 29.572 5.804 ( 10.244 3.706 0.000) 10.894 5.905 ( 15.634 16.276 0.000) 22.568 6.454 ( 6.043 5.494 0.000) 8.167 6.746 ( -2.646 1.865 0.000) 3.237 6.835 ( -6.478 -5.331 0.000) 8.390 7.070 ( -5.287 -4.250 0.000) 6.783 7.370 ( -14.913 1.391 0.000) 14.978 7.425 ( -13.227 -2.016 0.000) 13.380 7.474 ( -2.615 -6.602 0.000) 7.101 7.725 ( -0.322 -3.000 0.000) 3.017 7.985 ( 7.444 -6.597 0.000) 9.946 8.130 ( 6.875 -1.766 0.000) 7.098 9.119 ( 16.324 12.186 0.000) 20.370 9.244 ( 0.567 2.676 0.000) 2.736 9.385 ( -1.137 -1.384 0.000) 1.791 9.571 ( -1.850 -2.342 0.000) 2.985 9.639 ( 7.898 8.464 0.000) 11.577 9.761 ( 5.117 0.049 0.000) 5.117 9.895 ( -2.517 1.102 0.000) 2.747 9.987 ( -7.661 4.073 0.000) 8.677 10.039 ( -0.590 -2.011 0.000) 2.096 10.297 ( -2.605 -5.286 0.000) 5.893 10.402 ( 0.319 2.073 0.000) 2.097 10.445 ( -1.692 -4.445 0.000) 4.756 10.641 ( -0.255 0.050 0.000) 0.260 10.965 ( -9.347 -9.474 0.000) 13.309 11.155 ( -6.969 -6.101 0.000) 9.262 11.491 ( -5.339 -1.812 0.000) 5.638 11.712 ( -8.483 -4.647 0.000) 9.672 11.816 ( -8.536 -3.848 0.000) 9.363 12.069 ( 3.756 6.691 0.000) 7.673 12.146 ( -4.404 -4.011 0.000) 5.957 12.248 ( 6.666 0.598 0.000) 6.693 12.293 ( 7.786 0.708 0.000) 7.818 12.328 ( 1.272 -1.155 0.000) 1.718 12.520 ( -0.864 -2.506 0.000) 2.651 12.713 ( -3.035 -2.291 0.000) 3.803 13.084 ( -4.162 -8.521 0.000) 9.483 13.357 ( 1.602 14.685 0.000) 14.772 13.697 ( -1.149 -2.350 0.000) 2.616 13.732 ( 6.270 5.711 0.000) 8.480 14.017 ( 12.005 3.137 0.000) 12.408 14.205 ( 6.623 1.488 0.000) 6.788 14.533 ( 1.024 4.092 0.000) 4.218 14.869 ( -5.759 -5.006 0.000) 7.631 15.032 ( -5.366 -4.099 0.000) 6.752 15.102 ( -5.134 -7.760 0.000) 9.304 15.201 ( -6.024 -5.820 0.000) 8.377 15.356 ( 4.660 1.945 0.000) 5.049 15.664 ( -9.121 4.044 0.000) 9.977 15.849 ( -4.033 -2.999 0.000) 5.026 15.978 ( -2.601 -2.148 0.000) 3.373 16.229 ( 9.155 -0.817 0.000) 9.192 16.906 ( -7.993 -10.373 0.000) 13.096 17.699 ( -1.288 0.580 0.000) 1.413 17.738 ( 0.039 -1.150 0.000) 1.151 17.850 ( 1.942 1.280 0.000) 2.326 18.174 ( 0.162 4.855 0.000) 4.858 18.459 ( 11.296 5.490 0.000) 12.560 18.706 ( 1.322 1.233 0.000) 1.807 18.862 ( 2.727 6.314 0.000) 6.878 18.897 ( 3.661 5.195 0.000) 6.355 19.045 ( 7.197 3.428 0.000) 7.971 19.460 ( -3.589 -3.784 0.000) 5.216 19.567 ( -2.936 -1.303 0.000) 3.212 20.054 ( -14.474 -13.975 0.000) 20.119 ======================= Grid point 15 (10/42) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.509 ( 21.995 9.507 0.000) 23.962 2.536 ( 9.905 8.750 0.000) 13.216 2.776 ( -5.544 -2.215 0.000) 5.970 2.918 ( -7.605 -5.440 0.000) 9.350 3.025 ( -2.043 -0.091 0.000) 2.045 3.079 ( -1.616 -4.434 0.000) 4.720 3.101 ( 1.218 -1.418 0.000) 1.869 3.183 ( 4.068 -3.115 0.000) 5.124 3.303 ( -0.206 -1.265 0.000) 1.281 3.360 ( 0.883 0.038 0.000) 0.884 3.477 ( -6.406 -7.346 0.000) 9.747 3.630 ( -4.779 -4.614 0.000) 6.643 3.971 ( 3.252 8.256 0.000) 8.873 4.276 ( 13.488 10.106 0.000) 16.854 4.356 ( -6.352 0.711 0.000) 6.391 4.397 ( 19.807 18.129 0.000) 26.851 4.440 ( 8.881 4.892 0.000) 10.139 4.573 ( -9.560 -9.310 0.000) 13.344 4.581 ( -4.910 -4.556 0.000) 6.698 4.709 ( -11.537 -10.654 0.000) 15.704 4.819 ( -3.430 -5.531 0.000) 6.508 4.906 ( -20.124 -3.455 0.000) 20.419 4.998 ( -0.460 -5.058 0.000) 5.078 5.891 ( 5.931 -5.102 0.000) 7.824 6.105 ( 21.290 13.431 0.000) 25.173 6.373 ( 12.278 22.672 0.000) 25.783 6.488 ( -7.991 -4.711 0.000) 9.276 6.715 ( -10.711 3.337 0.000) 11.219 6.727 ( 1.949 2.644 0.000) 3.285 6.907 ( -6.326 -4.803 0.000) 7.943 7.089 ( -14.949 0.836 0.000) 14.972 7.266 ( -4.819 1.056 0.000) 4.933 7.375 ( -1.861 -3.387 0.000) 3.865 7.709 ( 2.461 -4.726 0.000) 5.328 8.020 ( 5.128 -7.397 0.000) 9.001 8.214 ( 5.921 -4.916 0.000) 7.696 9.278 ( -0.013 2.556 0.000) 2.556 9.366 ( 0.284 -0.167 0.000) 0.329 9.449 ( 9.806 3.994 0.000) 10.588 9.522 ( -0.491 -1.131 0.000) 1.233 9.747 ( 0.456 -4.079 0.000) 4.105 9.831 ( 2.584 2.655 0.000) 3.705 9.902 ( -4.139 1.582 0.000) 4.431 9.939 ( -0.097 8.069 0.000) 8.069 10.054 ( 0.552 2.185 0.000) 2.254 10.244 ( -0.452 0.117 0.000) 0.467 10.296 ( -4.292 -3.354 0.000) 5.447 10.494 ( 1.200 4.203 0.000) 4.371 10.614 ( -3.276 -1.680 0.000) 3.682 10.773 ( -3.948 -2.512 0.000) 4.679 11.039 ( -2.081 -1.978 0.000) 2.871 11.437 ( -0.277 0.302 0.000) 0.410 11.519 ( -4.601 -6.672 0.000) 8.105 11.665 ( -4.681 -1.765 0.000) 5.002 12.060 ( -1.258 -2.654 0.000) 2.937 12.201 ( 2.416 4.997 0.000) 5.550 12.305 ( 1.864 -1.361 0.000) 2.308 12.354 ( 0.806 0.887 0.000) 1.199 12.387 ( 2.500 -0.858 0.000) 2.643 12.502 ( -0.673 -0.972 0.000) 1.182 12.723 ( 5.795 0.365 0.000) 5.807 12.923 ( -3.941 -8.413 0.000) 9.290 13.490 ( -0.066 8.781 0.000) 8.781 13.634 ( -1.201 -3.985 0.000) 4.162 13.783 ( -2.699 5.564 0.000) 6.184 14.254 ( 7.783 -2.491 0.000) 8.172 14.379 ( 12.320 1.177 0.000) 12.376 14.601 ( 2.304 4.055 0.000) 4.664 14.733 ( -4.608 -2.876 0.000) 5.431 14.852 ( -7.568 -10.316 0.000) 12.794 14.955 ( -2.878 0.086 0.000) 2.879 15.074 ( -2.504 -3.652 0.000) 4.429 15.491 ( 4.812 3.201 0.000) 5.780 15.568 ( -6.467 4.432 0.000) 7.840 15.755 ( -4.417 0.027 0.000) 4.417 15.928 ( -1.100 -1.047 0.000) 1.519 16.389 ( 9.304 -0.924 0.000) 9.349 16.687 ( -4.986 -9.515 0.000) 10.742 17.685 ( -0.792 0.510 0.000) 0.942 17.729 ( 0.339 -1.117 0.000) 1.167 17.884 ( 1.461 -0.601 0.000) 1.580 18.209 ( -1.756 4.903 0.000) 5.207 18.647 ( 5.805 2.758 0.000) 6.427 18.716 ( -1.038 -0.319 0.000) 1.086 18.918 ( -1.177 4.679 0.000) 4.825 19.065 ( 6.120 5.214 0.000) 8.039 19.202 ( 7.225 3.407 0.000) 7.988 19.345 ( -5.136 -4.388 0.000) 6.755 19.531 ( 1.430 0.114 0.000) 1.435 19.701 ( -11.427 -10.537 0.000) 15.544 ======================= Grid point 23 (11/42) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.885 ( 11.578 20.053 0.000) 23.156 2.137 ( 11.324 19.614 0.000) 22.649 2.756 ( 5.207 9.019 0.000) 10.414 2.875 ( -0.310 -0.537 0.000) 0.620 2.931 ( 5.242 9.080 0.000) 10.485 2.939 ( 2.201 3.813 0.000) 4.403 3.259 ( 6.640 11.501 0.000) 13.280 3.316 ( 0.653 1.132 0.000) 1.307 3.447 ( -8.798 -15.238 0.000) 17.595 3.486 ( -11.188 -19.379 0.000) 22.377 3.642 ( 10.160 17.597 0.000) 20.319 3.688 ( -5.566 -9.640 0.000) 11.131 3.775 ( 3.645 6.313 0.000) 7.290 3.911 ( -3.064 -5.307 0.000) 6.128 3.992 ( 4.140 7.170 0.000) 8.280 4.200 ( 2.649 4.588 0.000) 5.298 4.768 ( -3.092 -5.355 0.000) 6.183 4.774 ( -5.433 -9.410 0.000) 10.865 4.807 ( -2.765 -4.790 0.000) 5.531 4.953 ( -8.997 -15.583 0.000) 17.993 4.978 ( -6.680 -11.571 0.000) 13.361 5.112 ( -9.237 -15.999 0.000) 18.474 5.416 ( 14.087 24.399 0.000) 28.174 5.571 ( -0.965 -1.671 0.000) 1.930 5.607 ( 0.089 0.155 0.000) 0.179 5.857 ( 15.291 26.484 0.000) 30.582 6.430 ( 4.037 6.992 0.000) 8.074 6.786 ( 1.283 2.222 0.000) 2.566 6.851 ( -4.288 -7.428 0.000) 8.577 7.124 ( -2.613 -4.526 0.000) 5.226 7.421 ( -2.888 -5.002 0.000) 5.776 7.559 ( -4.321 -7.483 0.000) 8.641 7.591 ( -2.362 -4.092 0.000) 4.725 7.741 ( -1.929 -3.342 0.000) 3.859 7.794 ( -1.067 -1.848 0.000) 2.134 8.035 ( -0.886 -1.535 0.000) 1.772 9.034 ( 9.768 16.918 0.000) 19.536 9.257 ( 1.567 2.714 0.000) 3.134 9.388 ( -1.367 -2.367 0.000) 2.733 9.565 ( 1.402 2.428 0.000) 2.803 9.634 ( 2.536 4.393 0.000) 5.073 9.706 ( 2.309 3.998 0.000) 4.617 9.925 ( 1.182 2.047 0.000) 2.364 10.016 ( -1.017 -1.761 0.000) 2.034 10.113 ( -4.096 -7.094 0.000) 8.192 10.339 ( -1.404 -2.432 0.000) 2.808 10.343 ( -0.790 -1.369 0.000) 1.581 10.425 ( 2.899 5.020 0.000) 5.797 10.655 ( -1.917 -3.321 0.000) 3.835 10.996 ( -6.649 -11.516 0.000) 13.298 11.182 ( -5.322 -9.218 0.000) 10.644 11.529 ( -3.484 -6.034 0.000) 6.968 11.801 ( -4.033 -6.985 0.000) 8.065 11.884 ( -4.446 -7.701 0.000) 8.893 12.093 ( 3.857 6.680 0.000) 7.713 12.119 ( 3.464 6.000 0.000) 6.928 12.186 ( -2.581 -4.471 0.000) 5.163 12.240 ( -0.414 -0.717 0.000) 0.828 12.283 ( 2.225 3.854 0.000) 4.450 12.513 ( -2.294 -3.974 0.000) 4.589 12.736 ( -2.207 -3.823 0.000) 4.415 13.073 ( -4.765 -8.253 0.000) 9.529 13.482 ( 5.513 9.549 0.000) 11.026 13.624 ( 9.756 16.897 0.000) 19.511 13.697 ( -1.140 -1.975 0.000) 2.280 13.947 ( 0.308 0.534 0.000) 0.616 14.147 ( 2.196 3.804 0.000) 4.393 14.549 ( 1.837 3.182 0.000) 3.675 14.894 ( -3.587 -6.213 0.000) 7.174 15.061 ( -3.107 -5.381 0.000) 6.213 15.101 ( -3.521 -6.099 0.000) 7.042 15.228 ( -4.793 -8.301 0.000) 9.585 15.320 ( 1.392 2.411 0.000) 2.784 15.798 ( -3.368 -5.833 0.000) 6.735 15.874 ( 2.026 3.508 0.000) 4.051 15.997 ( -1.176 -2.037 0.000) 2.352 16.102 ( -0.337 -0.584 0.000) 0.674 16.920 ( -7.077 -12.258 0.000) 14.155 17.721 ( -0.610 -1.057 0.000) 1.220 17.731 ( 0.411 0.711 0.000) 0.821 17.830 ( -0.139 -0.241 0.000) 0.278 18.231 ( 3.810 6.598 0.000) 7.619 18.352 ( 5.311 9.199 0.000) 10.622 18.701 ( 1.191 2.062 0.000) 2.381 18.855 ( 4.197 7.270 0.000) 8.395 18.937 ( 2.862 4.957 0.000) 5.724 18.970 ( 2.908 5.037 0.000) 5.816 19.471 ( -2.484 -4.303 0.000) 4.969 19.589 ( -1.425 -2.467 0.000) 2.849 20.110 ( -10.152 -17.583 0.000) 20.304 ======================= Grid point 24 (12/42) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.283 ( 15.754 13.448 0.000) 20.714 2.474 ( 9.305 12.616 0.000) 15.676 2.827 ( -2.271 -1.525 0.000) 2.736 2.936 ( 3.584 2.974 0.000) 4.657 3.009 ( 1.775 1.699 0.000) 2.457 3.051 ( 0.613 2.476 0.000) 2.551 3.127 ( -8.502 -12.861 0.000) 15.418 3.150 ( -6.275 -11.120 0.000) 12.768 3.297 ( -1.217 -2.242 0.000) 2.551 3.344 ( 1.466 1.308 0.000) 1.965 3.487 ( -5.094 -9.151 0.000) 10.473 3.653 ( -4.491 -6.747 0.000) 8.105 3.990 ( 5.796 11.012 0.000) 12.444 4.169 ( 8.040 6.919 0.000) 10.607 4.294 ( 19.593 29.334 0.000) 35.276 4.324 ( 6.129 4.894 0.000) 7.843 4.556 ( -10.619 -2.012 0.000) 10.808 4.593 ( -6.424 -7.012 0.000) 9.510 4.653 ( -9.611 -10.270 0.000) 14.065 4.763 ( -5.507 -9.776 0.000) 11.220 4.819 ( -4.242 -10.467 0.000) 11.294 4.827 ( 2.117 -9.615 0.000) 9.845 5.322 ( -21.819 2.035 0.000) 21.913 5.670 ( 10.525 -11.447 0.000) 15.550 5.944 ( 16.844 20.583 0.000) 26.597 6.394 ( 15.018 27.802 0.000) 31.599 6.535 ( 0.850 2.445 0.000) 2.588 6.715 ( -3.494 -5.037 0.000) 6.130 6.864 ( 1.108 7.957 0.000) 8.033 7.003 ( -7.691 -2.011 0.000) 7.949 7.323 ( -1.177 -7.690 0.000) 7.779 7.381 ( -7.812 -3.029 0.000) 8.379 7.426 ( -16.281 0.527 0.000) 16.289 7.627 ( -2.120 -4.588 0.000) 5.054 7.835 ( 7.930 -9.258 0.000) 12.190 8.026 ( 5.306 -7.443 0.000) 9.141 9.308 ( 0.821 3.584 0.000) 3.677 9.330 ( 7.986 8.690 0.000) 11.803 9.370 ( 1.350 0.423 0.000) 1.415 9.516 ( -1.188 -2.560 0.000) 2.822 9.721 ( -0.651 -2.021 0.000) 2.124 9.809 ( 3.684 4.487 0.000) 5.805 9.964 ( -1.784 1.022 0.000) 2.056 9.986 ( 0.215 0.631 0.000) 0.667 10.087 ( 2.584 7.909 0.000) 8.320 10.259 ( -2.623 -2.171 0.000) 3.405 10.344 ( -1.731 1.553 0.000) 2.326 10.519 ( 1.634 4.159 0.000) 4.469 10.633 ( 0.038 0.238 0.000) 0.241 10.788 ( -4.508 -8.312 0.000) 9.456 11.037 ( -2.507 -5.527 0.000) 6.069 11.446 ( -0.993 -2.462 0.000) 2.655 11.580 ( -9.994 -7.919 0.000) 12.751 11.725 ( -5.393 -5.719 0.000) 7.861 12.063 ( -3.069 -3.614 0.000) 4.741 12.217 ( 2.694 6.848 0.000) 7.359 12.239 ( 2.757 -2.620 0.000) 3.803 12.306 ( 5.359 2.046 0.000) 5.736 12.381 ( 0.312 5.039 0.000) 5.049 12.470 ( 3.031 -1.145 0.000) 3.240 12.672 ( -0.838 -1.936 0.000) 2.109 12.908 ( -4.399 -8.843 0.000) 9.877 13.571 ( -0.755 2.030 0.000) 2.166 13.650 ( -2.525 2.636 0.000) 3.650 13.869 ( 1.549 7.890 0.000) 8.040 14.051 ( 10.202 -0.154 0.000) 10.203 14.242 ( 6.189 2.758 0.000) 6.776 14.607 ( 1.396 3.200 0.000) 3.491 14.770 ( -4.148 -5.324 0.000) 6.749 14.873 ( -7.893 -12.297 0.000) 14.612 14.993 ( -1.672 -0.687 0.000) 1.808 15.080 ( -3.624 -5.976 0.000) 6.989 15.446 ( 4.816 5.396 0.000) 7.232 15.681 ( -4.537 -2.915 0.000) 5.393 15.889 ( -5.050 5.656 0.000) 7.583 15.949 ( -3.966 1.159 0.000) 4.131 16.180 ( 11.566 -3.661 0.000) 12.131 16.675 ( -6.820 -12.822 0.000) 14.523 17.704 ( -0.390 -0.329 0.000) 0.510 17.727 ( -1.295 0.241 0.000) 1.318 17.832 ( 1.930 -2.368 0.000) 3.054 18.324 ( -2.024 9.317 0.000) 9.535 18.546 ( 8.824 3.685 0.000) 9.563 18.729 ( -0.062 0.740 0.000) 0.742 19.000 ( -1.249 6.517 0.000) 6.635 19.019 ( 5.787 8.094 0.000) 9.950 19.107 ( 7.571 2.927 0.000) 8.117 19.372 ( -3.681 -5.220 0.000) 6.387 19.531 ( -1.956 -2.432 0.000) 3.121 19.768 ( -10.624 -14.638 0.000) 18.087 ======================= Grid point 25 (13/42) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.625 ( 0.827 -1.432 0.000) 1.653 2.672 ( -0.825 1.430 0.000) 1.651 2.703 ( 0.476 -0.824 0.000) 0.952 2.789 ( -0.598 1.036 0.000) 1.196 3.005 ( 3.812 -6.602 0.000) 7.623 3.036 ( -0.468 0.811 0.000) 0.937 3.060 ( 0.123 -0.213 0.000) 0.246 3.158 ( 1.974 -3.419 0.000) 3.948 3.269 ( 0.913 -1.581 0.000) 1.826 3.300 ( -0.811 1.405 0.000) 1.623 3.468 ( -0.085 0.147 0.000) 0.170 3.534 ( 2.413 -4.180 0.000) 4.826 4.150 ( -4.793 8.302 0.000) 9.586 4.354 ( 2.058 -3.564 0.000) 4.116 4.383 ( -2.097 3.633 0.000) 4.195 4.429 ( 0.039 -0.067 0.000) 0.078 4.480 ( 1.609 -2.787 0.000) 3.218 4.523 ( 1.987 -3.441 0.000) 3.973 4.561 ( -0.465 0.805 0.000) 0.930 4.722 ( 2.485 -4.304 0.000) 4.970 4.807 ( 3.365 -5.829 0.000) 6.731 4.865 ( -7.306 12.654 0.000) 14.611 4.920 ( -4.611 7.987 0.000) 9.223 5.703 ( 8.068 -13.974 0.000) 16.136 6.327 ( -2.288 3.963 0.000) 4.576 6.421 ( -2.523 4.369 0.000) 5.045 6.669 ( 1.252 -2.169 0.000) 2.505 6.832 ( -6.745 11.682 0.000) 13.490 6.878 ( -5.959 10.321 0.000) 11.918 6.894 ( -3.741 6.480 0.000) 7.483 7.178 ( -5.533 9.583 0.000) 11.066 7.269 ( 1.385 -2.399 0.000) 2.770 7.298 ( 2.638 -4.569 0.000) 5.276 7.590 ( 3.037 -5.261 0.000) 6.075 7.855 ( 5.650 -9.785 0.000) 11.299 8.042 ( 6.327 -10.959 0.000) 12.654 9.332 ( -1.521 2.634 0.000) 3.041 9.371 ( -0.302 0.524 0.000) 0.605 9.472 ( 0.197 -0.342 0.000) 0.394 9.512 ( 0.296 -0.513 0.000) 0.592 9.660 ( 2.074 -3.593 0.000) 4.149 9.892 ( -0.891 1.542 0.000) 1.781 9.911 ( -0.534 0.925 0.000) 1.068 10.033 ( -0.899 1.557 0.000) 1.798 10.149 ( -2.740 4.746 0.000) 5.480 10.225 ( 0.778 -1.347 0.000) 1.556 10.356 ( -5.076 8.793 0.000) 10.153 10.554 ( -1.148 1.988 0.000) 2.296 10.583 ( 0.612 -1.061 0.000) 1.225 10.752 ( 0.850 -1.472 0.000) 1.700 10.995 ( 1.629 -2.821 0.000) 3.257 11.407 ( 2.381 -4.125 0.000) 4.763 11.452 ( -1.131 1.958 0.000) 2.261 11.636 ( 0.863 -1.495 0.000) 1.727 12.017 ( 0.610 -1.056 0.000) 1.219 12.265 ( 0.223 -0.387 0.000) 0.446 12.290 ( 2.379 -4.121 0.000) 4.759 12.300 ( -1.099 1.903 0.000) 2.198 12.442 ( -2.011 3.483 0.000) 4.022 12.490 ( -0.183 0.317 0.000) 0.367 12.707 ( 1.757 -3.043 0.000) 3.514 12.782 ( 2.470 -4.278 0.000) 4.939 13.557 ( 1.795 -3.110 0.000) 3.591 13.654 ( -4.507 7.807 0.000) 9.014 13.908 ( -3.206 5.553 0.000) 6.412 14.140 ( 4.483 -7.765 0.000) 8.966 14.370 ( 0.889 -1.540 0.000) 1.778 14.654 ( -0.626 1.084 0.000) 1.251 14.658 ( 3.620 -6.270 0.000) 7.240 14.720 ( 0.411 -0.712 0.000) 0.823 14.976 ( -0.571 0.990 0.000) 1.143 15.018 ( 0.852 -1.475 0.000) 1.704 15.536 ( -0.528 0.915 0.000) 1.057 15.608 ( -0.229 0.397 0.000) 0.459 15.864 ( -5.205 9.016 0.000) 10.411 15.918 ( -0.755 1.307 0.000) 1.509 16.319 ( 3.937 -6.819 0.000) 7.874 16.499 ( 4.610 -7.985 0.000) 9.220 17.702 ( -0.649 1.124 0.000) 1.298 17.711 ( 0.262 -0.454 0.000) 0.525 17.838 ( 1.954 -3.384 0.000) 3.907 18.352 ( -5.006 8.671 0.000) 10.013 18.670 ( 0.766 -1.327 0.000) 1.532 18.709 ( -0.031 0.054 0.000) 0.063 19.022 ( -3.283 5.687 0.000) 6.566 19.148 ( -1.716 2.973 0.000) 3.432 19.249 ( 1.248 -2.162 0.000) 2.497 19.260 ( 0.585 -1.014 0.000) 1.171 19.509 ( 3.267 -5.658 0.000) 6.534 19.545 ( 0.707 -1.225 0.000) 1.414 ======================= Grid point 35 (14/42) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.541 ( 7.173 12.424 0.000) 14.346 2.669 ( 3.830 6.633 0.000) 7.660 2.769 ( -3.230 -5.595 0.000) 6.460 2.845 ( -3.578 -6.198 0.000) 7.157 2.896 ( -5.091 -8.818 0.000) 10.182 3.028 ( 1.446 2.505 0.000) 2.892 3.064 ( -0.669 -1.158 0.000) 1.337 3.120 ( 0.578 1.001 0.000) 1.156 3.251 ( -0.966 -1.673 0.000) 1.932 3.382 ( -0.264 -0.456 0.000) 0.527 3.395 ( 1.811 3.136 0.000) 3.621 3.514 ( -4.103 -7.107 0.000) 8.207 4.235 ( 7.321 12.681 0.000) 14.643 4.285 ( 2.800 4.849 0.000) 5.599 4.419 ( 2.230 3.863 0.000) 4.461 4.462 ( -3.167 -5.485 0.000) 6.334 4.467 ( -2.210 -3.827 0.000) 4.419 4.504 ( -4.848 -8.397 0.000) 9.696 4.628 ( -3.448 -5.972 0.000) 6.896 4.641 ( -1.942 -3.364 0.000) 3.885 4.668 ( -2.198 -3.806 0.000) 4.395 4.879 ( 15.401 26.675 0.000) 30.801 5.340 ( -5.696 -9.866 0.000) 11.392 5.365 ( -5.670 -9.821 0.000) 11.340 6.320 ( 9.391 16.266 0.000) 18.782 6.549 ( -1.104 -1.911 0.000) 2.207 6.608 ( -2.985 -5.171 0.000) 5.971 6.907 ( 11.965 20.723 0.000) 23.929 6.985 ( 1.755 3.040 0.000) 3.510 7.058 ( 4.653 8.060 0.000) 9.307 7.143 ( -4.845 -8.392 0.000) 9.690 7.271 ( -4.250 -7.361 0.000) 8.500 7.411 ( -1.283 -2.221 0.000) 2.565 7.595 ( -5.130 -8.885 0.000) 10.260 7.606 ( -1.735 -3.005 0.000) 3.470 7.918 ( -1.537 -2.662 0.000) 3.074 9.365 ( 1.015 1.758 0.000) 2.030 9.376 ( 0.379 0.657 0.000) 0.759 9.479 ( -0.580 -1.005 0.000) 1.160 9.487 ( 3.702 6.411 0.000) 7.403 9.628 ( -3.328 -5.764 0.000) 6.656 9.894 ( 1.930 3.343 0.000) 3.860 9.935 ( -0.730 -1.264 0.000) 1.459 10.035 ( 0.698 1.209 0.000) 1.396 10.203 ( 0.959 1.660 0.000) 1.917 10.209 ( -0.496 -0.860 0.000) 0.993 10.483 ( 5.765 9.985 0.000) 11.529 10.553 ( 0.026 0.045 0.000) 0.052 10.647 ( -2.660 -4.606 0.000) 5.319 10.666 ( -0.085 -0.147 0.000) 0.170 10.955 ( -1.371 -2.375 0.000) 2.743 11.365 ( -3.051 -5.284 0.000) 6.102 11.499 ( 0.676 1.171 0.000) 1.353 11.606 ( -3.228 -5.591 0.000) 6.456 12.020 ( -0.455 -0.789 0.000) 0.911 12.216 ( 0.358 0.621 0.000) 0.717 12.266 ( -2.150 -3.723 0.000) 4.299 12.328 ( 2.166 3.752 0.000) 4.332 12.486 ( 1.699 2.943 0.000) 3.398 12.499 ( 1.485 2.572 0.000) 2.969 12.651 ( 0.590 1.021 0.000) 1.179 12.752 ( -3.912 -6.776 0.000) 7.824 13.523 ( -1.269 -2.198 0.000) 2.538 13.771 ( 3.529 6.112 0.000) 7.057 13.927 ( -1.789 -3.099 0.000) 3.578 14.063 ( 1.100 1.905 0.000) 2.199 14.344 ( 4.607 7.979 0.000) 9.214 14.590 ( -6.753 -11.697 0.000) 13.507 14.661 ( 1.425 2.469 0.000) 2.850 14.724 ( -1.980 -3.430 0.000) 3.960 14.974 ( -1.139 -1.973 0.000) 2.278 15.018 ( 0.098 0.170 0.000) 0.196 15.538 ( 2.218 3.842 0.000) 4.436 15.615 ( -1.869 -3.236 0.000) 3.737 15.900 ( -0.372 -0.645 0.000) 0.745 16.109 ( 1.395 2.415 0.000) 2.789 16.124 ( 3.574 6.190 0.000) 7.148 16.424 ( -6.832 -11.834 0.000) 13.664 17.705 ( 0.392 0.679 0.000) 0.785 17.725 ( -0.427 -0.740 0.000) 0.854 17.791 ( -0.698 -1.208 0.000) 1.395 18.475 ( 2.516 4.357 0.000) 5.031 18.622 ( 2.647 4.585 0.000) 5.294 18.714 ( -1.516 -2.626 0.000) 3.032 19.117 ( 2.601 4.504 0.000) 5.201 19.146 ( 2.020 3.499 0.000) 4.041 19.208 ( 5.231 9.060 0.000) 10.462 19.259 ( -3.558 -6.162 0.000) 7.115 19.444 ( -4.991 -8.644 0.000) 9.981 19.543 ( -2.798 -4.846 0.000) 5.595 ======================= Grid point 109 (15/42) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.774 ( -0.000 -0.000 34.504) 34.504 0.774 ( 0.000 -0.000 34.504) 34.504 1.356 ( 0.000 0.000 61.516) 61.516 2.004 ( 0.000 0.000 -18.809) 18.809 2.004 ( 0.000 0.000 -18.809) 18.809 2.788 ( 0.000 -0.000 1.205) 1.205 2.863 ( 0.000 -0.000 -1.547) 1.547 3.228 ( 0.000 -0.000 2.485) 2.485 3.535 ( 0.000 -0.000 6.235) 6.235 3.535 ( 0.000 0.000 6.235) 6.235 3.600 ( 0.000 -0.000 -5.615) 5.615 3.764 ( 0.000 0.000 -2.869) 2.869 3.764 ( 0.000 -0.000 -2.869) 2.869 3.846 ( 0.000 0.000 -42.036) 42.036 4.674 ( 0.000 -0.000 -0.894) 0.894 4.674 ( 0.000 0.000 -0.894) 0.894 4.722 ( -0.000 0.000 -3.103) 3.103 4.722 ( 0.000 0.000 -3.103) 3.103 5.039 ( 0.000 -0.000 4.730) 4.730 5.039 ( 0.000 0.000 4.730) 4.730 5.043 ( 0.000 0.000 5.213) 5.213 5.043 ( 0.000 0.000 5.213) 5.213 5.910 ( 0.000 0.000 -2.415) 2.415 5.910 ( 0.000 0.000 -2.415) 2.415 5.927 ( 0.000 -0.000 -2.892) 2.892 5.927 ( 0.000 -0.000 -2.892) 2.892 6.435 ( 0.000 0.000 25.864) 25.864 7.245 ( -0.000 -0.000 -9.740) 9.740 7.596 ( 0.000 0.000 3.021) 3.021 7.598 ( 0.000 -0.000 -0.045) 0.045 7.598 ( 0.000 -0.000 -0.045) 0.045 7.612 ( 0.000 0.000 -0.539) 0.539 7.612 ( -0.000 0.000 -0.539) 0.539 7.696 ( 0.000 -0.000 -1.238) 1.238 7.769 ( 0.000 0.000 2.567) 2.567 7.941 ( 0.000 0.000 -1.608) 1.608 8.100 ( 0.000 -0.000 11.498) 11.498 8.924 ( 0.000 -0.000 -19.076) 19.076 8.978 ( 0.000 -0.000 9.564) 9.564 9.725 ( -0.000 0.000 -18.581) 18.581 9.890 ( 0.000 -0.000 2.805) 2.805 9.890 ( -0.000 0.000 2.805) 2.805 10.048 ( 0.000 0.000 -3.163) 3.163 10.048 ( 0.000 -0.000 -3.163) 3.163 10.074 ( -0.000 0.000 11.403) 11.403 10.074 ( 0.000 -0.000 11.403) 11.403 10.330 ( 0.000 -0.000 7.670) 7.670 10.330 ( 0.000 0.000 7.670) 7.670 11.237 ( -0.000 -0.000 -18.277) 18.277 11.237 ( 0.000 -0.000 -18.277) 18.277 11.473 ( 0.000 0.000 -21.362) 21.362 11.473 ( 0.000 -0.000 -21.362) 21.362 11.923 ( 0.000 0.000 19.859) 19.859 12.045 ( 0.000 0.000 22.732) 22.732 12.113 ( -0.000 -0.000 8.310) 8.310 12.113 ( 0.000 0.000 8.310) 8.310 12.527 ( -0.000 0.000 -5.977) 5.977 12.527 ( 0.000 0.000 -5.977) 5.977 12.545 ( 0.000 0.000 12.387) 12.387 12.545 ( 0.000 0.000 12.387) 12.387 12.661 ( -0.000 0.000 7.419) 7.419 12.661 ( 0.000 0.000 7.419) 7.419 12.842 ( 0.000 -0.000 -14.907) 14.907 13.050 ( 0.000 0.000 -15.463) 15.463 14.010 ( 0.000 0.000 6.470) 6.470 14.010 ( -0.000 -0.000 6.470) 6.470 14.334 ( 0.000 0.000 -5.166) 5.166 14.334 ( 0.000 0.000 -5.166) 5.166 14.341 ( 0.000 -0.000 -0.329) 0.329 14.377 ( 0.000 0.000 -2.493) 2.493 15.699 ( -0.000 0.000 7.661) 7.661 15.749 ( 0.000 0.000 4.349) 4.349 15.813 ( 0.000 -0.000 -1.191) 1.191 15.813 ( 0.000 -0.000 -1.191) 1.191 15.826 ( -0.000 -0.000 -1.646) 1.646 15.826 ( -0.000 0.000 -1.646) 1.646 15.950 ( 0.000 -0.000 -3.079) 3.079 16.018 ( 0.000 -0.000 -4.537) 4.537 17.691 ( 0.000 0.000 1.300) 1.300 17.691 ( 0.000 -0.000 1.300) 1.300 17.724 ( -0.000 -0.000 0.097) 0.097 17.724 ( 0.000 0.000 0.097) 0.097 18.642 ( 0.000 0.000 0.375) 0.375 18.642 ( -0.000 0.000 0.375) 0.375 18.673 ( 0.000 0.000 -0.738) 0.738 18.673 ( 0.000 -0.000 -0.738) 0.738 19.553 ( 0.000 -0.000 0.233) 0.233 19.555 ( 0.000 0.000 0.136) 0.136 20.984 ( 0.000 -0.000 0.601) 0.601 21.023 ( 0.000 0.000 -0.790) 0.790 ======================= Grid point 110 (16/42) ======================= q-point: ( 0.10 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.836 ( 12.954 7.479 25.041) 29.168 0.970 ( 15.552 8.979 27.171) 32.569 1.814 ( 31.100 17.955 46.399) 58.673 2.073 ( 5.854 3.380 -20.898) 21.964 2.076 ( 6.232 3.598 -17.808) 19.207 2.800 ( 1.079 0.623 1.062) 1.637 2.867 ( 0.349 0.201 -1.397) 1.453 3.212 ( -0.880 -0.508 2.077) 2.312 3.531 ( 2.201 1.271 -1.940) 3.197 3.543 ( -2.617 -1.511 -3.896) 4.930 3.583 ( 4.150 2.396 5.620) 7.386 3.797 ( 2.832 1.635 -2.713) 4.249 3.954 ( 14.685 8.479 -2.258) 17.107 4.114 ( 19.855 11.463 -27.994) 36.184 4.522 ( -10.893 -6.289 -0.382) 12.584 4.535 ( -13.166 -7.601 -0.741) 15.221 4.564 ( -10.468 -6.044 -1.235) 12.151 4.574 ( -12.434 -7.179 -1.864) 14.478 4.941 ( -1.384 -0.799 8.205) 8.359 4.976 ( 2.558 1.477 7.983) 8.513 5.234 ( 6.507 3.757 -1.266) 7.619 5.270 ( 9.771 5.642 -1.222) 11.349 5.744 ( -12.577 -7.261 -1.828) 14.637 5.748 ( -12.727 -7.348 -2.233) 14.865 5.832 ( -8.872 -5.122 -2.735) 10.603 5.838 ( -7.546 -4.357 -2.622) 9.100 6.439 ( -0.076 -0.044 22.250) 22.250 6.961 ( -13.391 -7.731 4.668) 16.152 7.394 ( -8.339 -4.815 3.580) 10.273 7.454 ( -7.821 -4.515 3.159) 9.567 7.589 ( -0.932 -0.538 -0.310) 1.121 7.627 ( -2.106 -1.216 -4.357) 4.990 7.734 ( 2.215 1.279 0.388) 2.587 7.755 ( 3.717 2.146 -0.475) 4.318 7.825 ( 4.104 2.369 1.692) 5.032 7.863 ( 3.266 1.886 1.923) 4.233 8.191 ( 8.453 4.880 9.936) 13.929 8.917 ( -0.372 -0.215 -18.648) 18.652 9.012 ( 3.771 2.177 7.836) 8.965 9.615 ( -7.627 -4.404 -16.430) 18.642 9.872 ( -2.058 -1.188 4.314) 4.925 9.966 ( -2.700 -1.559 4.535) 5.503 9.973 ( -2.725 -1.573 4.306) 5.333 10.155 ( 2.821 1.628 7.479) 8.158 10.178 ( 5.516 3.185 3.029) 7.052 10.326 ( -0.770 -0.444 7.215) 7.270 10.359 ( 3.174 1.833 4.663) 5.931 10.610 ( 26.943 15.555 -37.411) 48.656 11.104 ( -9.462 -5.463 -1.625) 11.046 11.269 ( 3.337 1.926 -17.220) 17.645 11.270 ( -13.137 -7.585 -4.549) 15.837 11.506 ( 2.873 1.659 -20.185) 20.456 11.976 ( -8.350 -4.821 7.896) 12.462 12.073 ( -4.109 -2.372 8.549) 9.778 12.097 ( 4.683 2.704 3.662) 6.531 12.124 ( 5.609 3.238 6.333) 9.059 12.339 ( -10.189 -5.883 -2.996) 12.141 12.505 ( -4.713 -2.721 9.102) 10.605 12.506 ( -0.305 -0.176 -4.530) 4.544 12.589 ( -3.519 -2.032 7.505) 8.535 12.661 ( 7.948 4.589 10.991) 14.319 12.720 ( 7.609 4.393 7.637) 11.641 12.831 ( -0.765 -0.442 -11.053) 11.088 13.241 ( 8.468 4.889 -21.320) 23.455 13.761 ( -9.996 -5.771 10.358) 15.508 14.028 ( 1.405 0.811 6.144) 6.354 14.182 ( -6.239 -3.602 -5.403) 9.005 14.344 ( 0.929 0.536 -5.093) 5.204 14.563 ( 12.219 7.055 0.957) 14.142 14.845 ( 19.667 11.355 -14.152) 26.759 15.585 ( -8.980 -5.185 3.438) 10.925 15.688 ( -2.665 -1.539 -5.053) 5.917 15.700 ( -8.039 -4.641 -1.453) 9.396 15.751 ( -5.302 -3.061 -1.877) 6.403 15.927 ( 4.906 2.832 -1.063) 5.763 15.999 ( 1.549 0.894 -2.711) 3.248 16.037 ( 16.609 9.589 -12.302) 22.785 16.044 ( 1.653 0.954 -2.922) 3.490 17.673 ( -0.139 -0.080 3.178) 3.182 17.697 ( 1.362 0.787 2.324) 2.807 17.787 ( 4.117 2.377 -0.692) 4.804 17.807 ( 6.508 3.757 -1.511) 7.665 18.638 ( 0.144 0.083 0.981) 0.995 18.649 ( 0.592 0.342 0.652) 0.945 18.696 ( 1.636 0.945 -0.983) 2.130 18.701 ( 2.371 1.369 -1.132) 2.962 19.526 ( -3.180 -1.836 3.495) 5.070 19.575 ( 1.373 0.793 -0.433) 1.644 20.246 ( -40.992 -23.667 46.100) 66.074 20.900 ( -10.400 -6.004 -3.168) 12.419 ======================= Grid point 111 (17/42) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( 24.715 14.269 5.076) 28.986 1.396 ( 21.016 12.133 18.120) 30.285 2.252 ( 9.616 5.552 -23.987) 26.432 2.274 ( 11.106 6.412 -15.164) 19.859 2.556 ( 32.502 18.765 31.516) 49.008 2.835 ( 1.949 1.125 0.589) 2.326 2.876 ( 0.361 0.208 -0.928) 1.017 3.205 ( 0.301 0.174 1.151) 1.202 3.503 ( -0.734 -0.423 -2.630) 2.763 3.650 ( 7.490 4.324 1.842) 8.842 3.720 ( 7.520 4.342 4.825) 9.934 3.883 ( 4.198 2.424 -1.667) 5.126 4.127 ( -19.506 -11.262 2.191) 22.630 4.225 ( -15.218 -8.786 0.811) 17.591 4.250 ( -2.839 -1.639 -0.153) 3.281 4.252 ( -13.067 -7.544 -1.968) 15.216 4.484 ( 15.038 8.682 -2.427) 17.533 4.634 ( 21.365 12.335 -14.693) 28.714 4.905 ( -0.027 -0.015 3.491) 3.491 5.053 ( 3.505 2.023 6.775) 7.891 5.306 ( -0.833 -0.481 -6.223) 6.297 5.335 ( -12.041 -6.952 2.369) 14.104 5.412 ( -14.895 -8.599 0.023) 17.199 5.532 ( 2.428 1.402 -9.686) 10.084 5.564 ( -13.876 -8.011 -1.669) 16.109 5.607 ( -11.671 -6.738 -2.012) 13.625 6.434 ( 0.149 0.086 15.047) 15.048 6.783 ( -4.124 -2.381 -0.338) 4.774 7.236 ( -5.621 -3.245 3.141) 7.211 7.268 ( -8.512 -4.914 6.331) 11.692 7.531 ( -6.230 -3.597 -5.380) 8.983 7.572 ( -1.302 -0.752 -2.235) 2.694 7.749 ( -1.695 -0.978 2.347) 3.056 7.777 ( -1.390 -0.803 0.991) 1.887 7.938 ( 6.065 3.501 0.683) 7.036 7.970 ( 4.830 2.789 -0.252) 5.583 8.466 ( 14.934 8.622 3.255) 17.549 8.920 ( 0.920 0.531 -16.684) 16.717 9.144 ( 7.819 4.514 1.061) 9.091 9.458 ( -5.533 -3.194 -12.093) 13.677 9.785 ( -5.065 -2.924 8.962) 10.702 9.923 ( -1.280 -0.739 4.520) 4.756 9.943 ( -0.536 -0.309 3.730) 3.781 10.186 ( 0.123 0.071 12.456) 12.457 10.266 ( 1.993 1.151 -0.199) 2.310 10.286 ( -2.306 -1.331 8.146) 8.570 10.446 ( 4.209 2.430 0.381) 4.875 10.876 ( -10.480 -6.050 14.284) 18.721 10.922 ( 4.588 2.649 -29.335) 29.810 10.977 ( -11.896 -6.868 7.127) 15.475 11.399 ( 7.595 4.385 -16.004) 18.250 11.589 ( 3.748 2.164 -13.264) 13.952 11.731 ( -11.611 -6.704 12.924) 18.623 11.939 ( -6.135 -3.542 4.194) 8.233 12.075 ( -4.845 -2.797 -1.237) 5.730 12.150 ( -7.145 -4.125 -6.082) 10.250 12.221 ( 1.427 0.824 -5.608) 5.846 12.360 ( -7.578 -4.375 2.232) 9.031 12.490 ( -1.275 -0.736 -7.234) 7.382 12.494 ( -4.864 -2.808 5.375) 7.774 12.822 ( 0.289 0.167 -1.291) 1.333 12.866 ( 10.764 6.215 6.385) 13.973 13.064 ( 19.722 11.387 0.403) 22.777 13.337 ( -0.035 -0.020 -14.141) 14.141 13.614 ( -2.895 -1.672 6.124) 6.977 14.008 ( -4.924 -2.843 -3.075) 6.464 14.115 ( 2.279 1.316 2.406) 3.566 14.375 ( 1.779 1.027 -4.780) 5.203 14.862 ( 13.334 7.698 2.781) 15.646 15.090 ( 3.282 1.895 0.533) 3.827 15.379 ( -8.994 -5.193 4.291) 11.238 15.506 ( -8.863 -5.117 -1.223) 10.306 15.592 ( -8.402 -4.851 -1.933) 9.893 15.613 ( -2.871 -1.657 -9.715) 10.265 15.987 ( -2.544 -1.469 -2.130) 3.629 16.007 ( 2.407 1.390 -4.508) 5.296 16.064 ( -0.256 -0.148 -0.318) 0.434 16.353 ( 9.096 5.251 -27.523) 29.459 17.701 ( 2.603 1.503 6.610) 7.261 17.757 ( 3.710 2.142 3.231) 5.366 17.891 ( 4.848 2.799 -0.722) 5.644 18.003 ( 10.541 6.086 -3.953) 12.797 18.657 ( -0.487 -0.281 2.542) 2.603 18.658 ( 1.571 0.907 1.727) 2.505 18.741 ( 2.402 1.387 -0.885) 2.911 18.773 ( 3.702 2.137 -0.461) 4.300 19.305 ( -15.766 -9.103 34.970) 39.425 19.593 ( -0.204 -0.118 -1.596) 1.613 19.686 ( -9.101 -5.255 19.113) 21.812 20.587 ( -16.440 -9.492 -7.429) 20.385 ======================= Grid point 112 (18/42) ======================= q-point: ( 0.30 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.856 ( 23.149 13.365 -1.047) 26.750 1.887 ( 22.026 12.717 12.168) 28.194 2.495 ( 11.598 6.696 -22.920) 26.546 2.561 ( 13.914 8.033 -12.017) 20.064 2.875 ( -0.628 -0.362 -0.173) 0.745 2.882 ( 2.053 1.185 -0.379) 2.401 3.166 ( 15.980 9.226 9.870) 20.926 3.215 ( 0.247 0.143 -0.192) 0.344 3.573 ( 10.342 5.971 7.104) 13.895 3.688 ( -16.142 -9.320 3.943) 19.052 3.726 ( -8.490 -4.902 4.636) 10.845 3.872 ( -14.323 -8.269 0.544) 16.547 3.884 ( 0.863 0.498 2.284) 2.492 3.942 ( 4.772 2.755 4.268) 6.970 4.065 ( -3.473 -2.005 -0.838) 4.096 4.127 ( 4.376 2.526 -2.866) 5.809 4.695 ( -7.112 -4.106 7.072) 10.838 4.929 ( 8.736 5.043 -0.104) 10.087 4.976 ( -13.072 -7.547 2.021) 15.229 5.046 ( -5.721 -3.303 2.353) 7.012 5.160 ( -5.367 -3.098 -4.124) 7.444 5.237 ( -4.098 -2.366 -3.780) 6.056 5.261 ( -7.995 -4.616 -1.174) 9.306 5.296 ( 5.650 3.262 1.644) 6.728 5.374 ( 13.391 7.731 -8.745) 17.765 5.669 ( 5.894 3.403 -12.034) 13.825 6.468 ( 3.116 1.799 8.148) 8.907 6.720 ( -2.103 -1.214 -2.334) 3.368 7.076 ( -8.429 -4.867 8.256) 12.763 7.134 ( -3.770 -2.177 0.600) 4.395 7.356 ( -9.043 -5.221 -2.190) 10.669 7.480 ( -7.733 -4.464 -1.648) 9.080 7.654 ( -6.088 -3.515 3.712) 7.949 7.737 ( -1.115 -0.644 -0.083) 1.290 8.058 ( 2.865 1.654 0.258) 3.319 8.089 ( 6.795 3.923 0.094) 7.847 8.833 ( 16.982 9.804 -3.420) 19.905 8.967 ( 3.231 1.865 -12.981) 13.507 9.355 ( 10.447 6.032 -6.151) 13.541 9.373 ( -2.183 -1.260 -7.985) 8.374 9.664 ( -5.444 -3.143 11.118) 12.772 9.902 ( -0.674 -0.389 2.957) 3.058 9.922 ( -1.692 -0.977 3.489) 3.999 10.168 ( -1.103 -0.637 11.367) 11.438 10.261 ( 0.533 0.308 15.489) 15.501 10.280 ( -0.503 -0.290 -6.706) 6.731 10.517 ( 1.532 0.885 -4.799) 5.115 10.643 ( -9.638 -5.564 18.321) 21.436 10.742 ( -9.220 -5.323 14.907) 18.318 10.934 ( -2.067 -1.194 -17.311) 17.475 11.494 ( -8.893 -5.134 18.228) 20.921 11.541 ( 1.836 1.060 -5.710) 6.091 11.623 ( 0.443 0.256 -6.779) 6.798 11.888 ( 1.866 1.077 -7.336) 7.646 11.916 ( -8.411 -4.856 1.026) 9.767 12.002 ( -5.819 -3.359 -11.399) 13.232 12.195 ( -5.969 -3.446 -5.203) 8.635 12.225 ( -0.569 -0.329 -9.574) 9.597 12.387 ( -4.044 -2.335 2.120) 5.128 12.453 ( -1.848 -1.067 -7.915) 8.198 12.856 ( 2.940 1.697 9.132) 9.742 13.114 ( 10.413 6.012 0.695) 12.044 13.280 ( -3.594 -2.075 1.089) 4.291 13.500 ( 16.308 9.415 -7.330) 20.207 13.601 ( 0.494 0.285 -3.014) 3.067 13.911 ( -1.430 -0.825 -6.140) 6.358 14.206 ( 5.234 3.022 3.841) 7.161 14.426 ( 2.799 1.616 -3.965) 5.115 15.038 ( -6.531 -3.771 5.598) 9.393 15.108 ( 5.817 3.358 0.937) 6.782 15.183 ( -8.281 -4.781 4.466) 10.554 15.304 ( -8.809 -5.086 -1.390) 10.266 15.412 ( -5.168 -2.984 0.320) 5.976 15.576 ( -0.966 -0.558 -5.603) 5.713 15.899 ( -4.797 -2.770 -1.358) 5.703 16.034 ( -2.083 -1.202 1.851) 3.035 16.057 ( 2.509 1.449 -10.564) 10.955 16.454 ( 0.824 0.475 -26.003) 26.020 17.785 ( 4.665 2.693 11.425) 12.631 17.849 ( 4.028 2.325 3.961) 6.109 17.992 ( 3.809 2.199 0.609) 4.440 18.262 ( 11.774 6.798 -6.289) 14.980 18.571 ( -7.907 -4.565 17.097) 19.383 18.697 ( 1.456 0.841 0.875) 1.896 18.818 ( 4.849 2.800 0.443) 5.617 18.848 ( 2.546 1.470 4.114) 5.057 19.082 ( -1.702 -0.983 18.820) 18.922 19.559 ( -2.721 -1.571 -2.739) 4.168 19.561 ( -4.641 -2.679 5.066) 7.374 20.192 ( -17.925 -10.349 -9.715) 22.865 ======================= Grid point 113 (19/42) ======================= q-point: ( 0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.319 ( 17.427 10.061 -1.244) 20.161 2.377 ( 21.045 12.150 7.506) 25.433 2.750 ( 10.126 5.846 -16.601) 20.306 2.816 ( -2.132 -1.231 -1.117) 2.703 2.902 ( 12.999 7.505 -7.403) 16.736 2.912 ( 0.074 0.043 -2.357) 2.358 3.206 ( -1.873 -1.082 -0.842) 2.321 3.264 ( -1.460 -0.843 -1.897) 2.538 3.358 ( -9.486 -5.477 3.609) 11.533 3.389 ( -15.834 -9.142 2.936) 18.518 3.610 ( -8.740 -5.046 -5.042) 11.281 3.625 ( -13.988 -8.076 -3.642) 16.558 4.070 ( 21.649 12.499 8.661) 26.457 4.094 ( 5.898 3.405 11.883) 13.696 4.242 ( 13.056 7.538 2.485) 15.279 4.308 ( 9.949 5.744 -0.569) 11.502 4.529 ( -6.077 -3.509 8.311) 10.877 4.717 ( -8.720 -5.035 3.621) 10.701 4.735 ( -11.570 -6.680 -1.197) 13.413 4.904 ( -9.974 -5.759 -2.744) 11.840 4.928 ( -14.625 -8.444 1.219) 16.931 4.996 ( -11.647 -6.725 -1.015) 13.487 5.137 ( 0.231 0.133 7.894) 7.898 5.712 ( 4.251 2.454 -14.318) 15.136 5.806 ( 27.393 15.815 -0.063) 31.630 5.951 ( 21.603 12.473 -6.844) 25.867 6.551 ( 2.088 1.205 2.591) 3.539 6.653 ( -5.219 -3.013 -2.044) 6.364 6.895 ( -6.349 -3.666 8.328) 11.096 7.031 ( -6.521 -3.765 -0.420) 7.542 7.135 ( -10.094 -5.828 1.581) 11.762 7.268 ( -8.110 -4.682 -1.061) 9.424 7.514 ( -5.332 -3.079 5.360) 8.163 7.731 ( 0.237 0.137 -2.119) 2.137 8.102 ( 1.156 0.667 0.862) 1.589 8.221 ( 4.455 2.572 -1.066) 5.254 9.057 ( 4.306 2.486 -8.851) 10.152 9.200 ( 14.443 8.339 -8.567) 18.749 9.344 ( -0.726 -0.419 -3.376) 3.479 9.550 ( -4.238 -2.447 8.813) 10.081 9.584 ( 8.793 5.077 -10.895) 14.893 9.868 ( -2.563 -1.480 1.917) 3.526 9.885 ( -0.918 -0.530 0.713) 1.277 10.177 ( 2.258 1.303 14.100) 14.339 10.229 ( -4.345 -2.509 -16.276) 17.032 10.301 ( 2.596 1.499 16.228) 16.502 10.450 ( -7.350 -4.244 21.269) 22.900 10.530 ( 0.673 0.388 -4.388) 4.456 10.556 ( -7.121 -4.111 18.986) 20.690 10.870 ( -3.168 -1.829 -8.320) 9.089 11.344 ( -4.280 -2.471 21.597) 22.156 11.496 ( -1.875 -1.082 7.464) 7.771 11.627 ( -2.522 -1.456 -3.641) 4.662 11.736 ( -6.670 -3.851 1.875) 7.927 11.889 ( -2.085 -1.204 -18.449) 18.605 11.944 ( 0.495 0.286 -21.691) 21.698 12.121 ( -1.220 -0.704 -5.555) 5.731 12.209 ( -0.676 -0.390 -10.416) 10.445 12.334 ( -0.503 -0.290 -2.983) 3.039 12.415 ( -1.368 -0.790 -8.431) 8.577 12.956 ( 5.686 3.283 14.835) 16.223 13.201 ( -3.697 -2.134 10.643) 11.467 13.317 ( 7.327 4.230 -2.357) 8.782 13.613 ( 0.552 0.319 -4.234) 4.282 13.643 ( -1.661 -0.959 -5.449) 5.777 14.063 ( 11.579 6.685 -12.786) 18.500 14.348 ( 7.512 4.337 3.225) 9.255 14.505 ( 4.268 2.464 -2.467) 5.511 14.856 ( -8.583 -4.956 3.695) 10.578 15.000 ( -11.038 -6.373 -3.020) 13.098 15.020 ( -5.589 -3.227 3.363) 7.277 15.138 ( -6.033 -3.483 -1.022) 7.041 15.468 ( 6.709 3.874 3.866) 8.658 15.548 ( -1.461 -0.843 1.757) 2.436 15.784 ( -5.214 -3.010 -0.853) 6.081 15.986 ( -1.796 -1.037 3.332) 3.924 16.125 ( 3.125 1.804 -16.968) 17.347 16.432 ( -1.957 -1.130 -20.999) 21.120 17.901 ( 5.292 3.055 16.381) 17.484 17.924 ( 2.393 1.381 4.456) 5.243 18.059 ( 2.187 1.263 5.524) 6.074 18.359 ( -9.215 -5.320 21.327) 23.834 18.507 ( 9.311 5.376 -6.449) 12.537 18.710 ( -0.502 -0.290 -0.906) 1.076 18.892 ( 1.464 0.845 3.894) 4.245 18.963 ( 7.468 4.311 0.201) 8.625 19.153 ( 5.845 3.375 3.578) 7.639 19.443 ( -5.847 -3.375 2.492) 7.196 19.492 ( -2.302 -1.329 -3.986) 4.792 19.805 ( -15.701 -9.065 -8.935) 20.212 ======================= Grid point 114 (20/42) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 62 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.588 ( -0.000 -0.000 0.008) 0.008 2.710 ( 0.000 0.000 -0.210) 0.210 2.769 ( 0.000 0.000 -2.201) 2.201 2.820 ( -0.000 -0.000 0.029) 0.029 2.951 ( -0.000 -0.000 -3.440) 3.440 2.998 ( 0.000 0.000 1.073) 1.073 3.135 ( -0.000 -0.000 -0.900) 0.900 3.266 ( 0.000 0.000 -5.203) 5.203 3.275 ( 0.000 0.000 -3.170) 3.170 3.287 ( -0.000 -0.000 -0.653) 0.653 3.316 ( 0.000 0.000 -6.563) 6.563 3.498 ( 0.000 0.000 -6.698) 6.698 4.168 ( 0.000 0.000 13.188) 13.188 4.420 ( 0.000 0.000 6.962) 6.962 4.448 ( 0.000 0.000 -1.010) 1.010 4.452 ( -0.000 -0.000 1.832) 1.832 4.558 ( -0.000 -0.000 0.697) 0.697 4.595 ( -0.000 -0.000 0.557) 0.557 4.603 ( -0.000 -0.000 4.704) 4.704 4.666 ( 0.000 0.000 3.543) 3.543 4.671 ( 0.000 0.000 4.073) 4.073 4.799 ( 0.000 0.000 -1.669) 1.669 5.146 ( 0.000 0.000 8.919) 8.919 5.750 ( 0.000 0.000 -15.324) 15.324 6.369 ( -0.000 -0.000 -1.304) 1.304 6.375 ( 0.000 0.000 -1.253) 1.253 6.387 ( 0.000 0.000 -0.863) 0.863 6.401 ( -0.000 -0.000 -2.059) 2.059 6.893 ( -0.000 -0.000 9.002) 9.002 6.918 ( 0.000 0.000 1.916) 1.916 6.950 ( 0.000 0.000 0.836) 0.836 7.187 ( 0.000 0.000 -3.192) 3.192 7.449 ( 0.000 0.000 6.739) 6.739 7.735 ( 0.000 0.000 -2.672) 2.672 8.115 ( 0.000 0.000 1.085) 1.085 8.274 ( -0.000 -0.000 -1.854) 1.854 9.119 ( 0.000 0.000 -6.966) 6.966 9.333 ( 0.000 0.000 0.384) 0.384 9.394 ( 0.000 0.000 -11.260) 11.260 9.497 ( 0.000 0.000 5.468) 5.468 9.695 ( 0.000 0.000 -11.300) 11.300 9.835 ( 0.000 0.000 1.281) 1.281 9.871 ( 0.000 0.000 -0.525) 0.525 10.149 ( 0.000 0.000 -20.357) 20.357 10.254 ( 0.000 0.000 20.080) 20.080 10.284 ( -0.000 -0.000 5.772) 5.772 10.399 ( 0.000 0.000 27.448) 27.448 10.439 ( 0.000 0.000 20.939) 20.939 10.549 ( 0.000 0.000 -3.775) 3.775 10.822 ( -0.000 -0.000 -5.199) 5.199 11.297 ( 0.000 0.000 22.757) 22.757 11.494 ( -0.000 -0.000 8.576) 8.576 11.563 ( 0.000 0.000 3.344) 3.344 11.654 ( 0.000 0.000 1.663) 1.663 11.870 ( 0.000 0.000 -27.552) 27.552 11.948 ( 0.000 0.000 -23.657) 23.657 12.108 ( 0.000 0.000 -4.442) 4.442 12.200 ( 0.000 0.000 -10.460) 10.460 12.336 ( 0.000 0.000 -5.275) 5.275 12.398 ( 0.000 0.000 -8.674) 8.674 13.085 ( 0.000 0.000 18.711) 18.711 13.102 ( -0.000 -0.000 10.584) 10.584 13.415 ( 0.000 0.000 -2.837) 2.837 13.599 ( 0.000 0.000 -5.153) 5.153 13.622 ( 0.000 0.000 -2.555) 2.555 14.211 ( 0.000 0.000 -12.990) 12.990 14.496 ( 0.000 0.000 -0.395) 0.395 14.590 ( 0.000 0.000 -0.980) 0.980 14.716 ( 0.000 0.000 1.636) 1.636 14.809 ( 0.000 0.000 -1.585) 1.585 14.954 ( 0.000 0.000 2.680) 2.680 15.060 ( 0.000 0.000 -1.110) 1.110 15.528 ( 0.000 0.000 4.437) 4.437 15.579 ( -0.000 -0.000 5.348) 5.348 15.694 ( 0.000 0.000 -2.139) 2.139 15.965 ( 0.000 0.000 3.883) 3.883 16.168 ( 0.000 0.000 -20.562) 20.562 16.402 ( 0.000 0.000 -17.486) 17.486 17.951 ( 0.000 0.000 4.622) 4.622 17.981 ( 0.000 0.000 14.473) 14.473 18.092 ( -0.000 -0.000 23.490) 23.490 18.224 ( 0.000 0.000 7.592) 7.592 18.660 ( 0.000 0.000 -2.704) 2.704 18.663 ( -0.000 -0.000 -4.312) 4.312 18.910 ( 0.000 0.000 2.846) 2.846 19.079 ( 0.000 0.000 -1.765) 1.765 19.294 ( -0.000 -0.000 1.547) 1.547 19.306 ( 0.000 0.000 1.894) 1.894 19.505 ( 0.000 0.000 -5.774) 5.774 19.550 ( 0.000 0.000 -6.257) 6.257 ======================= Grid point 121 (21/42) ======================= q-point: ( 0.10 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( 13.832 23.958 9.007) 29.094 1.259 ( 11.067 19.169 20.391) 30.095 2.201 ( 5.375 9.310 -23.189) 25.560 2.203 ( 5.349 9.264 -16.181) 19.397 2.360 ( 19.376 33.560 35.217) 52.363 2.824 ( 1.032 1.787 0.744) 2.194 2.874 ( 0.257 0.445 -1.088) 1.203 3.206 ( 0.119 0.206 1.385) 1.405 3.510 ( -0.788 -1.365 -3.283) 3.641 3.610 ( 3.934 6.814 -0.143) 7.870 3.665 ( 3.483 6.033 5.375) 8.799 3.856 ( 2.281 3.951 -2.219) 5.074 4.208 ( 4.889 8.468 -0.171) 9.780 4.279 ( -9.428 -16.330 0.675) 18.868 4.286 ( -10.120 -17.529 1.226) 20.278 4.358 ( -7.026 -12.170 -1.525) 14.135 4.413 ( 0.725 1.256 -2.272) 2.696 4.503 ( 13.709 23.745 -19.521) 33.658 4.956 ( -0.154 -0.267 7.693) 7.699 4.991 ( 0.955 1.654 5.824) 6.129 5.341 ( 0.336 0.582 -0.818) 1.059 5.366 ( 2.903 5.028 -4.614) 7.416 5.479 ( -8.217 -14.232 -3.460) 16.794 5.584 ( -7.853 -13.602 -1.343) 15.763 5.599 ( -6.866 -11.892 -3.450) 14.159 5.688 ( -6.951 -12.040 -2.500) 14.125 6.436 ( -0.068 -0.117 17.088) 17.089 6.814 ( -3.048 -5.279 1.049) 6.185 7.243 ( -4.795 -8.306 5.158) 10.890 7.377 ( -2.953 -5.115 4.950) 7.707 7.507 ( -2.468 -4.275 -4.623) 6.763 7.628 ( -0.671 -1.162 -3.761) 3.993 7.754 ( 0.655 1.134 1.471) 1.969 7.811 ( 0.409 0.708 -0.555) 0.988 7.849 ( 0.777 1.346 2.841) 3.238 7.946 ( 2.785 4.823 -0.868) 5.636 8.375 ( 7.785 13.483 5.533) 16.523 8.919 ( 0.423 0.733 -17.368) 17.389 9.099 ( 3.877 6.716 3.074) 8.342 9.494 ( -3.731 -6.463 -13.228) 15.188 9.859 ( -0.462 -0.800 6.394) 6.461 9.869 ( -3.125 -5.413 7.224) 9.552 9.964 ( -0.084 -0.146 5.029) 5.032 10.193 ( -0.584 -1.012 5.493) 5.615 10.248 ( 2.580 4.469 4.047) 6.558 10.311 ( 0.113 0.196 4.902) 4.907 10.413 ( 1.494 2.588 5.577) 6.327 10.825 ( -0.591 -1.024 -14.718) 14.765 10.994 ( -1.229 -2.129 -6.863) 7.291 11.047 ( -6.920 -11.986 3.408) 14.254 11.357 ( 3.257 5.641 -16.245) 17.503 11.548 ( 1.825 3.161 -13.880) 14.352 11.814 ( -5.968 -10.338 7.968) 14.352 11.969 ( -3.129 -5.419 8.860) 10.847 12.101 ( -2.452 -4.248 -5.949) 7.710 12.212 ( -2.869 -4.969 -1.596) 5.955 12.217 ( 0.687 1.190 -0.682) 1.534 12.375 ( -3.388 -5.867 -0.130) 6.776 12.486 ( -3.457 -5.988 5.234) 8.671 12.552 ( -1.268 -2.196 -5.439) 6.000 12.827 ( 0.331 0.573 -3.529) 3.590 12.863 ( 8.456 14.646 8.712) 19.023 12.882 ( 7.980 13.822 3.106) 16.260 13.331 ( 1.358 2.352 -17.812) 18.018 13.635 ( -2.973 -5.149 8.554) 10.418 14.065 ( -3.901 -6.757 -6.043) 9.869 14.068 ( 1.663 2.880 5.974) 6.837 14.376 ( 1.208 2.092 -5.296) 5.821 14.778 ( 7.765 13.449 2.663) 15.756 15.059 ( 4.051 7.016 -3.211) 8.715 15.433 ( -5.325 -9.223 4.000) 11.376 15.560 ( -5.031 -8.715 -1.076) 10.120 15.602 ( -4.111 -7.121 -4.016) 9.151 15.679 ( -1.886 -3.266 -8.241) 9.063 15.959 ( -0.352 -0.609 -0.891) 1.135 16.026 ( 0.710 1.230 -3.314) 3.606 16.062 ( 0.205 0.354 -1.031) 1.109 16.287 ( 6.888 11.931 -26.172) 29.576 17.683 ( 0.993 1.719 4.498) 4.917 17.738 ( 1.691 2.928 4.721) 5.807 17.875 ( 3.651 6.323 -2.379) 7.679 17.931 ( 4.982 8.629 -2.426) 10.255 18.636 ( 0.032 0.056 1.992) 1.993 18.681 ( 1.469 2.545 1.057) 3.123 18.719 ( 0.647 1.120 -0.528) 1.397 18.750 ( 1.993 3.453 -1.359) 4.212 19.392 ( -8.333 -14.433 26.411) 31.230 19.591 ( 0.094 0.164 -1.063) 1.080 19.765 ( -8.791 -15.226 30.503) 35.207 20.684 ( -8.837 -15.306 -6.362) 18.784 ======================= Grid point 122 (22/42) ======================= q-point: ( 0.20 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( 16.904 19.484 6.414) 26.581 1.688 ( 18.353 18.672 8.744) 27.603 2.410 ( 7.871 10.251 -21.203) 24.831 2.436 ( 10.434 9.660 -16.272) 21.610 2.865 ( 1.412 1.675 0.013) 2.191 2.882 ( 0.216 0.698 -0.484) 0.877 3.005 ( 19.262 23.406 19.212) 35.888 3.217 ( 0.287 0.975 0.128) 1.025 3.518 ( 3.019 3.666 1.777) 5.071 3.754 ( 1.470 3.107 6.357) 7.227 3.798 ( 4.151 1.862 3.576) 5.787 3.855 ( -11.594 -12.668 2.106) 17.301 3.927 ( -3.699 -5.279 1.267) 6.569 3.970 ( -7.135 -10.318 2.461) 12.783 4.075 ( -5.447 -9.776 -2.176) 11.401 4.142 ( -4.279 -4.550 -3.286) 7.058 4.779 ( 9.484 13.204 2.469) 16.444 4.842 ( -0.726 9.654 2.399) 9.974 5.002 ( 8.912 -0.982 1.698) 9.126 5.048 ( -1.183 -2.133 -2.494) 3.489 5.194 ( -3.833 -0.812 -4.707) 6.124 5.233 ( -4.350 -0.511 -1.630) 4.673 5.304 ( -4.476 -10.086 0.344) 11.040 5.366 ( -9.068 -4.829 -4.420) 11.184 5.423 ( -9.179 -6.409 -3.874) 11.846 5.564 ( 7.483 -0.620 -9.837) 12.375 6.452 ( 1.417 2.029 10.546) 10.833 6.752 ( -1.746 -0.399 -2.094) 2.756 7.095 ( -3.607 -7.675 6.514) 10.693 7.245 ( -8.244 -0.828 4.833) 9.592 7.434 ( -2.025 -5.357 -5.516) 7.952 7.564 ( -5.773 -0.595 -3.754) 6.912 7.698 ( -6.059 -2.476 4.002) 7.672 7.794 ( -3.172 0.026 0.383) 3.195 7.912 ( 7.937 -4.439 2.131) 9.340 8.028 ( 4.037 0.949 -1.444) 4.391 8.690 ( 12.697 13.753 -0.553) 18.726 8.956 ( 1.746 3.318 -14.281) 14.765 9.267 ( 7.008 7.332 -3.534) 10.740 9.400 ( -1.957 -1.646 -9.184) 9.533 9.740 ( -6.016 -2.562 10.633) 12.483 9.875 ( 2.138 -1.136 6.923) 7.334 9.966 ( -1.157 1.692 4.594) 5.030 10.140 ( -0.562 -4.966 4.353) 6.627 10.287 ( -2.375 3.475 8.307) 9.312 10.332 ( -0.471 2.753 1.046) 2.983 10.469 ( 3.292 0.208 1.664) 3.694 10.668 ( -4.189 -12.118 16.205) 20.664 10.816 ( -8.124 -8.537 8.625) 14.604 10.963 ( -3.091 -2.373 -18.896) 19.293 11.493 ( 3.828 3.401 -10.441) 11.629 11.519 ( -2.509 -6.660 9.197) 11.629 11.716 ( -3.497 4.681 -6.015) 8.385 11.864 ( -0.803 -4.097 1.759) 4.530 11.982 ( -4.332 -4.549 -9.402) 11.307 12.109 ( -8.351 -1.581 -0.899) 8.547 12.184 ( -0.572 -4.519 -2.420) 5.158 12.250 ( -3.099 -6.100 -5.575) 8.826 12.375 ( -1.995 -6.220 2.402) 6.960 12.487 ( -2.974 -2.547 -7.619) 8.566 12.851 ( 0.994 2.650 6.095) 6.720 13.097 ( 3.764 14.731 1.179) 15.250 13.262 ( 12.080 5.878 -3.684) 13.930 13.339 ( 4.911 4.010 -5.406) 8.332 13.589 ( 0.179 -0.813 -0.402) 0.924 13.938 ( -3.770 -4.020 -5.611) 7.865 14.147 ( 4.167 2.524 5.029) 7.002 14.421 ( 1.204 3.139 -5.079) 6.091 15.035 ( 7.811 8.356 2.519) 11.712 15.084 ( -2.824 -2.957 5.239) 6.645 15.250 ( -6.307 -7.381 4.492) 10.697 15.378 ( -6.931 -7.480 -0.914) 10.238 15.434 ( -4.979 -8.866 -1.174) 10.236 15.646 ( -2.476 3.669 -11.127) 11.975 15.913 ( -1.499 -4.909 -0.868) 5.205 16.034 ( -0.150 -0.097 -5.140) 5.143 16.050 ( -0.775 -1.302 0.147) 1.522 16.431 ( 2.365 1.834 -27.501) 27.663 17.743 ( 3.166 2.914 7.520) 8.664 17.808 ( 3.103 2.783 6.701) 7.891 18.001 ( 2.235 8.068 -2.142) 8.641 18.139 ( 9.877 7.393 -4.827) 13.248 18.615 ( -2.898 -4.062 10.509) 11.633 18.706 ( -1.114 1.473 2.808) 3.361 18.767 ( 4.088 2.360 1.339) 4.907 18.831 ( 2.882 3.922 -0.551) 4.898 19.109 ( -5.665 -7.727 29.574) 31.087 19.561 ( -1.875 -3.213 0.067) 3.721 19.625 ( -3.456 -1.751 4.894) 6.242 20.336 ( -13.481 -15.506 -9.196) 22.511 ======================= Grid point 123 (23/42) ======================= q-point: ( 0.30 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.123 ( 18.768 13.273 6.584) 23.912 2.174 ( 17.288 15.989 2.604) 23.692 2.654 ( 9.136 9.030 -18.879) 22.835 2.724 ( 12.476 8.045 -11.421) 18.730 2.864 ( -1.370 -0.583 0.147) 1.496 2.918 ( 0.974 2.331 -1.637) 3.010 3.220 ( -0.455 0.226 -1.208) 1.310 3.268 ( 0.435 0.697 -1.507) 1.716 3.461 ( -12.450 -12.032 4.162) 17.807 3.521 ( -12.900 -14.730 4.221) 20.030 3.664 ( -7.810 -11.319 -2.498) 13.977 3.726 ( -5.718 -6.445 -1.031) 8.677 3.902 ( 15.271 17.060 9.656) 24.849 4.052 ( 5.869 7.717 10.044) 13.959 4.099 ( 10.110 4.846 2.449) 11.476 4.209 ( 7.345 4.974 -1.840) 9.059 4.654 ( -10.543 -0.886 6.738) 12.543 4.796 ( -8.274 -9.044 2.792) 12.572 4.853 ( -10.929 -8.350 -0.530) 13.764 4.979 ( -6.503 -10.326 0.040) 12.203 5.041 ( -8.423 -10.658 1.707) 13.692 5.070 ( -2.616 -4.976 5.110) 7.597 5.211 ( -12.174 -0.055 -5.285) 13.272 5.524 ( 19.842 14.745 -2.527) 24.849 5.656 ( 10.154 7.353 -9.468) 15.711 5.778 ( 18.427 19.492 -9.269) 28.380 6.527 ( 3.305 4.075 5.500) 7.601 6.726 ( -2.919 2.242 -2.079) 4.227 6.962 ( -4.505 -6.097 8.449) 11.351 7.096 ( -7.760 -1.927 2.062) 8.258 7.301 ( -9.994 -1.136 -3.091) 10.522 7.403 ( -11.285 -3.235 -2.369) 11.976 7.558 ( -5.088 -4.818 5.348) 8.815 7.730 ( -1.886 -1.869 -0.533) 2.708 7.987 ( 6.946 -7.003 1.062) 9.920 8.117 ( 7.259 -2.691 -1.523) 7.890 9.024 ( 7.113 6.694 -8.178) 12.739 9.062 ( 9.658 10.134 -7.606) 15.932 9.347 ( -0.018 -0.615 -4.582) 4.623 9.496 ( 6.859 6.514 -8.654) 12.821 9.624 ( -4.887 -0.561 9.654) 10.836 9.900 ( -0.321 1.330 4.286) 4.499 9.938 ( -3.567 2.273 2.518) 4.922 10.119 ( 2.780 -2.839 4.941) 6.341 10.282 ( -0.066 1.360 13.779) 13.846 10.319 ( -4.450 2.475 -2.662) 5.746 10.488 ( -0.455 -3.979 9.452) 10.266 10.528 ( -2.112 -4.013 6.048) 7.559 10.614 ( -6.466 -6.387 13.534) 16.303 10.863 ( -1.653 -6.851 -12.164) 14.059 11.363 ( -3.861 -6.174 19.705) 21.007 11.565 ( -2.060 0.368 3.623) 4.184 11.661 ( -4.503 2.024 -7.703) 9.149 11.817 ( -5.316 -3.815 -0.841) 6.597 11.925 ( -1.165 0.490 -13.116) 13.176 11.945 ( -4.468 -2.490 -14.324) 15.210 12.111 ( -1.036 -3.895 -6.835) 7.935 12.206 ( 0.900 -2.095 -7.811) 8.137 12.311 ( 0.583 -3.322 -1.010) 3.521 12.415 ( -1.732 -3.533 -8.097) 9.002 12.919 ( 2.985 4.380 14.208) 15.164 13.193 ( 0.076 -2.570 7.200) 7.645 13.340 ( 0.815 11.786 -2.000) 11.983 13.582 ( 0.539 -2.058 -4.878) 5.322 13.647 ( 7.535 5.550 -7.304) 11.871 13.923 ( 6.972 1.885 -8.416) 11.090 14.259 ( 6.276 2.492 4.427) 8.075 14.482 ( 2.206 3.570 -4.175) 5.920 14.935 ( -7.091 -6.490 4.567) 10.642 15.068 ( -6.695 -7.679 -0.617) 10.206 15.091 ( -5.618 -5.048 2.335) 7.906 15.196 ( -6.162 -5.704 -0.673) 8.424 15.392 ( 5.579 2.872 3.460) 7.165 15.632 ( -4.828 5.115 -3.403) 7.814 15.827 ( -3.260 -4.034 -1.178) 5.319 16.001 ( -1.659 -1.978 2.202) 3.393 16.064 ( 3.719 -1.169 -12.016) 12.633 16.431 ( -0.750 -3.014 -23.075) 23.283 17.834 ( 4.119 2.206 11.392) 12.313 17.890 ( 3.913 2.125 9.054) 10.090 18.096 ( -0.501 7.832 -0.144) 7.850 18.383 ( 9.669 4.527 -4.797) 11.705 18.437 ( -6.681 -7.964 22.354) 24.653 18.715 ( 0.080 0.671 0.360) 0.765 18.887 ( 4.690 4.985 1.917) 7.108 18.908 ( 2.179 4.422 1.415) 5.129 19.089 ( 4.405 1.631 7.216) 8.610 19.476 ( -3.343 -4.571 0.611) 5.696 19.543 ( -4.358 -1.583 -0.865) 4.716 19.952 ( -14.263 -13.599 -9.446) 21.854 ======================= Grid point 124 (24/42) ======================= q-point: ( 0.40 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.514 ( 11.753 9.281 0.087) 14.976 2.594 ( 18.179 9.465 5.677) 21.267 2.775 ( -5.813 -1.969 0.179) 6.140 2.856 ( 4.095 3.765 -11.152) 12.462 2.908 ( -1.037 -0.187 -3.504) 3.659 3.037 ( 11.107 4.206 -5.879) 13.252 3.095 ( -11.432 -10.777 3.256) 16.045 3.204 ( -1.125 -5.001 1.851) 5.450 3.255 ( -0.190 -1.925 -3.474) 3.976 3.297 ( -2.293 -1.655 -1.574) 3.237 3.412 ( -8.750 -9.840 -5.282) 14.188 3.520 ( -5.430 -5.214 -6.980) 10.266 4.189 ( 1.738 6.349 12.638) 14.249 4.310 ( 12.016 7.594 2.147) 14.376 4.413 ( 8.310 4.726 0.823) 9.595 4.450 ( 17.162 17.136 3.396) 24.489 4.509 ( -3.420 0.493 7.275) 8.054 4.583 ( -10.047 -8.315 0.845) 13.069 4.627 ( -3.983 -3.917 3.899) 6.812 4.736 ( -10.780 -9.998 2.780) 14.963 4.794 ( -3.449 -5.169 -2.174) 6.583 4.900 ( -18.966 -3.104 -1.253) 19.259 5.095 ( 2.886 -4.715 8.966) 10.534 5.691 ( 4.494 -4.282 -14.527) 15.798 6.131 ( 20.912 16.608 1.845) 26.768 6.307 ( 15.431 22.310 -5.313) 27.641 6.529 ( -9.731 -2.709 2.731) 10.464 6.667 ( -11.390 4.210 -3.482) 12.632 6.850 ( 0.158 -1.814 8.925) 9.109 6.953 ( -5.776 -2.488 2.956) 6.949 7.075 ( -12.413 -0.212 -0.608) 12.430 7.224 ( -4.936 -0.994 -3.781) 6.297 7.456 ( -1.882 -2.679 6.427) 7.213 7.704 ( 1.426 -3.246 -1.493) 3.847 8.016 ( 5.455 -8.204 0.891) 9.892 8.195 ( 6.062 -5.827 -2.471) 8.764 9.130 ( 1.544 4.551 -6.694) 8.241 9.331 ( 3.589 2.076 -4.181) 5.888 9.344 ( 3.419 2.537 -4.965) 6.541 9.529 ( -1.550 0.732 5.974) 6.215 9.659 ( 2.447 0.557 -9.105) 9.445 9.878 ( -2.630 3.339 0.999) 4.366 9.937 ( -2.534 5.999 -0.587) 6.538 10.157 ( 1.767 -0.289 -5.355) 5.646 10.249 ( -2.734 1.789 4.364) 5.452 10.316 ( -0.470 -0.475 6.587) 6.621 10.377 ( -1.947 -2.105 25.477) 25.638 10.463 ( -3.929 -4.519 18.522) 19.466 10.539 ( 1.303 -0.002 -3.239) 3.491 10.801 ( 0.813 -4.615 -7.824) 9.120 11.278 ( -0.525 -3.434 22.047) 22.319 11.529 ( -1.813 2.499 9.558) 10.045 11.574 ( -3.655 -2.906 3.565) 5.875 11.690 ( -4.738 -0.856 1.159) 4.953 11.876 ( -0.873 -0.218 -26.946) 26.961 11.938 ( 0.643 -0.973 -22.855) 22.884 12.082 ( 1.100 -3.190 -5.036) 6.062 12.200 ( -0.153 -0.440 -9.949) 9.960 12.323 ( 1.586 -0.442 -5.265) 5.516 12.368 ( 0.705 -3.929 -8.496) 9.387 13.030 ( 4.919 3.932 16.805) 17.947 13.138 ( -3.058 -3.234 14.776) 15.431 13.453 ( 0.067 7.868 -3.604) 8.654 13.556 ( 0.184 -3.478 -2.661) 4.383 13.702 ( -2.683 5.118 -6.192) 8.470 14.124 ( 9.074 -0.779 -12.359) 15.352 14.410 ( 8.203 1.717 2.895) 8.867 14.569 ( 3.741 3.442 -2.705) 5.758 14.756 ( -6.074 -4.861 1.708) 7.965 14.836 ( -7.264 -9.144 -1.448) 11.767 14.982 ( -3.129 -0.694 2.227) 3.903 15.068 ( -2.700 -3.352 -0.780) 4.375 15.534 ( 5.184 3.204 4.020) 7.301 15.595 ( -4.157 3.821 2.443) 6.152 15.732 ( -4.159 -1.183 -1.564) 4.598 15.964 ( -0.583 -1.226 3.364) 3.628 16.124 ( 3.940 -1.778 -18.450) 18.949 16.379 ( -0.077 -4.226 -17.741) 18.238 17.897 ( 2.145 -0.697 10.085) 10.334 18.000 ( 5.772 3.660 16.833) 18.167 18.118 ( -4.754 2.923 11.327) 12.628 18.246 ( -4.056 -4.226 11.441) 12.853 18.593 ( 7.435 3.317 -5.393) 9.766 18.697 ( -2.354 -1.210 -2.088) 3.371 18.939 ( -1.027 3.850 2.227) 4.565 19.053 ( 5.120 4.462 -1.150) 6.887 19.219 ( 6.923 3.322 2.083) 7.956 19.362 ( -5.000 -4.552 1.596) 6.947 19.479 ( 0.013 -0.373 -4.448) 4.463 19.618 ( -10.360 -9.412 -7.166) 15.725 ======================= Grid point 132 (25/42) ======================= q-point: ( 0.20 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.017 ( 10.519 18.220 11.316) 23.888 2.106 ( 12.109 20.974 -0.186) 24.219 2.628 ( 6.373 11.039 -11.218) 16.980 2.645 ( 6.822 11.816 -21.219) 25.226 2.873 ( -0.260 -0.450 0.205) 0.559 2.921 ( 1.524 2.640 -1.391) 3.351 3.224 ( 0.277 0.480 -1.161) 1.287 3.269 ( 0.965 1.671 -1.117) 2.230 3.524 ( -10.873 -18.833 3.223) 21.984 3.544 ( -9.050 -15.675 5.635) 18.956 3.672 ( -7.084 -12.269 -1.789) 14.280 3.731 ( -0.219 -0.379 2.252) 2.294 3.862 ( 8.589 14.876 7.757) 18.848 4.028 ( 4.328 7.497 2.908) 9.132 4.044 ( 4.913 8.510 8.701) 13.125 4.170 ( 3.073 5.323 -2.560) 6.659 4.784 ( -5.963 -10.327 1.730) 12.050 4.853 ( -3.190 -5.525 7.039) 9.500 4.861 ( -3.383 -5.859 1.663) 6.967 4.975 ( -8.599 -14.893 1.671) 17.278 5.004 ( -4.120 -7.137 4.363) 9.324 5.108 ( -8.672 -15.020 0.126) 17.344 5.361 ( 9.004 15.596 -5.530) 18.838 5.442 ( -1.253 -2.171 -10.530) 10.824 5.554 ( 6.139 10.632 -3.230) 12.695 5.716 ( 16.331 28.286 -10.002) 34.159 6.520 ( 2.771 4.799 6.715) 8.707 6.769 ( 1.179 2.042 -2.387) 3.355 6.953 ( -3.854 -6.675 8.138) 11.209 7.205 ( -2.346 -4.064 7.039) 8.460 7.333 ( -2.538 -4.397 -7.009) 8.655 7.529 ( -2.336 -4.045 -4.957) 6.811 7.612 ( -4.272 -7.399 4.333) 9.580 7.786 ( -1.517 -2.628 -1.282) 3.294 7.805 ( -1.863 -3.227 4.842) 6.109 8.007 ( -1.146 -1.986 -2.620) 3.481 8.974 ( 8.054 13.950 -4.421) 16.703 9.052 ( 4.005 6.937 -10.058) 12.858 9.340 ( 0.254 0.440 -4.120) 4.151 9.474 ( 4.409 7.637 -9.027) 12.620 9.674 ( -1.975 -3.422 11.102) 11.784 9.901 ( 1.860 3.222 7.412) 8.293 10.015 ( 1.673 2.898 6.123) 6.978 10.046 ( -2.023 -3.504 1.258) 4.237 10.310 ( -0.599 -1.037 4.370) 4.531 10.402 ( 1.791 3.103 0.754) 3.661 10.455 ( -4.532 -7.849 17.121) 19.372 10.482 ( 0.588 1.018 5.352) 5.480 10.655 ( -4.471 -7.745 8.584) 12.396 10.833 ( -5.480 -9.491 -14.213) 17.947 11.366 ( -3.803 -6.586 19.047) 20.509 11.565 ( 0.514 0.891 -2.953) 3.127 11.774 ( -1.290 -2.235 -1.792) 3.141 11.795 ( -0.149 -0.258 -12.686) 12.690 11.942 ( -0.284 -0.492 -13.652) 13.664 12.008 ( -4.880 -8.453 -4.173) 10.615 12.114 ( -3.738 -6.474 -5.181) 9.095 12.147 ( 0.524 0.908 -3.532) 3.685 12.284 ( -1.317 -2.282 -1.167) 2.882 12.412 ( -2.667 -4.619 -8.424) 9.970 12.921 ( 2.584 4.475 14.232) 15.141 13.179 ( -1.394 -2.415 6.510) 7.082 13.461 ( 5.026 8.705 -2.801) 10.435 13.520 ( 8.523 14.761 -9.127) 19.335 13.569 ( -0.855 -1.481 -4.719) 5.019 13.887 ( -0.135 -0.234 -6.106) 6.111 14.212 ( 2.340 4.053 5.356) 7.112 14.484 ( 1.849 3.203 -5.306) 6.468 14.964 ( -4.604 -7.974 4.797) 10.383 15.084 ( -4.335 -7.508 -1.323) 8.770 15.114 ( -3.525 -6.105 3.993) 8.102 15.226 ( -4.697 -8.135 -0.466) 9.405 15.353 ( 2.422 4.195 3.262) 5.840 15.739 ( 2.704 4.683 -11.487) 12.696 15.809 ( -2.951 -5.111 1.274) 6.038 16.011 ( -1.289 -2.233 1.718) 3.098 16.012 ( -1.042 -1.805 -6.850) 7.161 16.419 ( -1.623 -2.812 -23.967) 24.186 17.811 ( 2.228 3.859 9.457) 10.454 17.863 ( 1.635 2.832 10.555) 11.050 18.170 ( 4.531 7.847 -3.353) 9.662 18.291 ( 4.923 8.527 -5.658) 11.357 18.455 ( -6.376 -11.044 25.797) 28.777 18.718 ( 0.396 0.686 1.182) 1.422 18.865 ( 3.942 6.828 0.903) 7.936 18.924 ( 3.039 5.263 -1.150) 6.186 19.053 ( 0.678 1.174 11.020) 11.103 19.482 ( -2.738 -4.742 0.026) 5.476 19.576 ( -2.017 -3.494 0.220) 4.040 20.008 ( -10.012 -17.341 -9.440) 22.137 ======================= Grid point 133 (26/42) ======================= q-point: ( 0.30 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.377 ( 13.809 12.735 7.950) 20.398 2.470 ( 10.408 13.477 0.983) 17.057 2.814 ( 2.701 3.716 -5.961) 7.526 2.841 ( 1.806 4.658 -9.791) 10.992 2.879 ( 5.147 3.603 -6.067) 8.734 2.969 ( 1.252 2.432 -3.612) 4.531 3.159 ( -8.726 -11.178 3.044) 14.504 3.187 ( -5.771 -11.309 2.913) 13.026 3.243 ( -0.470 -1.716 -3.573) 3.992 3.314 ( -3.174 -4.580 0.391) 5.586 3.430 ( -6.387 -10.929 -4.867) 13.562 3.553 ( -6.089 -8.742 -6.460) 12.460 4.198 ( 6.972 6.678 3.343) 10.217 4.223 ( 4.999 9.607 11.762) 15.989 4.310 ( 7.301 5.294 -0.688) 9.045 4.371 ( 16.456 24.977 5.241) 30.366 4.599 ( -5.364 -5.690 2.733) 8.283 4.662 ( -8.620 -7.087 4.119) 11.895 4.682 ( -9.096 -6.015 2.026) 11.092 4.770 ( -3.039 -9.003 0.492) 9.515 4.818 ( -9.633 -10.181 2.839) 14.301 4.950 ( 3.958 -7.651 10.099) 13.274 5.232 ( -17.669 1.496 -7.709) 19.336 5.515 ( 8.463 -8.989 -12.009) 17.224 6.000 ( 17.113 22.668 4.110) 28.698 6.286 ( 16.280 27.589 -7.850) 32.982 6.611 ( 0.785 4.189 5.389) 6.871 6.807 ( -2.465 2.883 2.001) 4.289 6.851 ( -0.743 -2.146 4.302) 4.865 7.075 ( -9.361 -0.131 4.919) 10.576 7.255 ( -2.789 -4.462 -5.266) 7.444 7.364 ( -13.774 -0.742 -3.492) 14.229 7.459 ( -4.426 -6.790 4.907) 9.475 7.660 ( -3.542 -4.078 1.069) 5.506 7.825 ( 6.572 -9.275 0.131) 11.368 7.994 ( 5.679 -8.401 -3.106) 10.605 9.144 ( 3.118 6.057 -6.288) 9.271 9.273 ( 7.824 10.056 -6.442) 14.278 9.344 ( -0.180 -0.097 -1.421) 1.436 9.541 ( -0.312 -0.660 2.968) 3.056 9.656 ( -0.386 0.903 -2.461) 2.650 9.958 ( -1.125 4.807 3.899) 6.291 10.021 ( 0.871 5.794 0.728) 5.904 10.105 ( 3.989 2.316 4.221) 6.253 10.294 ( 0.794 0.026 10.385) 10.415 10.334 ( -4.697 -0.437 6.807) 8.281 10.429 ( -2.884 -2.877 14.632) 15.189 10.472 ( -1.055 -2.821 -0.618) 3.074 10.532 ( -4.196 -0.751 1.854) 4.648 10.691 ( 2.982 -9.443 -9.894) 13.998 11.264 ( -2.012 -3.985 21.971) 22.420 11.537 ( -1.072 -2.799 7.325) 7.915 11.681 ( -7.659 -0.476 3.731) 8.532 11.759 ( -3.205 -2.613 -0.135) 4.138 11.889 ( -1.482 -1.616 -25.861) 25.954 11.920 ( -0.807 -1.407 -20.304) 20.369 12.022 ( 0.419 -5.133 -5.587) 7.599 12.184 ( 1.694 0.167 -8.532) 8.700 12.288 ( 1.410 0.459 -5.182) 5.390 12.323 ( -1.187 -5.219 -8.500) 10.044 13.015 ( 2.558 4.954 19.412) 20.197 13.140 ( -0.624 -2.085 14.487) 14.650 13.513 ( -0.702 -1.463 -0.778) 1.800 13.577 ( -1.648 7.766 -5.822) 9.845 13.760 ( 3.851 6.189 -9.429) 11.918 13.958 ( 7.537 1.261 -8.796) 11.651 14.309 ( 5.415 2.944 5.056) 7.972 14.550 ( 2.354 3.204 -4.666) 6.130 14.797 ( -5.603 -7.523 1.825) 9.556 14.860 ( -7.556 -11.690 -1.040) 13.958 15.021 ( -2.622 -2.122 2.124) 3.986 15.080 ( -3.719 -5.633 -0.170) 6.752 15.484 ( 4.853 5.259 3.700) 8.056 15.700 ( -4.573 -1.395 1.662) 5.062 15.807 ( -2.430 4.932 -6.691) 8.660 15.963 ( -1.274 -1.771 1.471) 2.631 16.017 ( 4.848 -3.167 -11.412) 12.797 16.340 ( -1.853 -5.982 -18.581) 19.608 17.879 ( 1.238 2.674 12.144) 12.497 17.928 ( 4.311 1.516 14.598) 15.296 18.227 ( -6.479 -5.872 23.134) 24.731 18.288 ( -1.685 5.907 -1.280) 6.274 18.478 ( 9.160 3.709 -6.365) 11.755 18.718 ( -1.118 -0.752 -1.381) 1.929 19.006 ( 0.767 5.986 0.476) 6.054 19.019 ( 4.030 7.625 0.052) 8.625 19.132 ( 6.216 2.342 3.271) 7.404 19.380 ( -3.328 -5.258 0.308) 6.230 19.496 ( -2.946 -3.137 -2.607) 5.032 19.682 ( -9.881 -13.426 -7.476) 18.270 ======================= Grid point 134 (27/42) ======================= q-point: ( 0.40 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.640 ( -1.161 2.010 1.348) 2.684 2.728 ( 0.580 -1.005 4.941) 5.076 2.734 ( -0.231 0.401 2.193) 2.241 2.833 ( -0.509 0.881 4.002) 4.129 2.920 ( -0.244 0.422 -8.644) 8.658 2.980 ( 0.104 -0.181 -4.261) 4.266 3.047 ( 2.159 -3.739 0.235) 4.324 3.124 ( 3.334 -5.775 -0.903) 6.729 3.198 ( -0.436 0.755 -6.252) 6.312 3.250 ( 0.808 -1.399 -2.392) 2.886 3.357 ( -0.103 0.178 -7.534) 7.537 3.421 ( 2.421 -4.194 -8.092) 9.430 4.319 ( -2.926 5.068 9.480) 11.141 4.382 ( 0.754 -1.306 2.874) 3.245 4.447 ( -0.082 0.141 2.688) 2.693 4.484 ( 1.249 -2.164 1.815) 3.088 4.517 ( -1.773 3.070 2.665) 4.435 4.564 ( 2.235 -3.870 3.292) 5.551 4.611 ( -0.383 0.664 8.759) 8.792 4.699 ( 2.277 -3.944 -1.977) 4.965 4.825 ( -6.019 10.425 -4.053) 12.702 4.883 ( -3.144 5.446 2.801) 6.884 4.975 ( 2.388 -4.136 7.397) 8.805 5.542 ( 6.366 -11.027 -12.570) 17.892 6.413 ( -3.138 5.435 6.505) 9.039 6.483 ( -3.583 6.206 5.462) 9.010 6.723 ( -4.458 7.722 -2.658) 9.304 6.788 ( -6.872 11.903 -5.841) 14.934 6.812 ( -0.132 0.229 5.446) 5.453 6.968 ( -2.840 4.919 4.396) 7.183 7.155 ( -5.109 8.849 -2.296) 10.473 7.197 ( 1.147 -1.986 -5.958) 6.384 7.386 ( 3.300 -5.716 6.692) 9.400 7.614 ( 2.777 -4.809 0.760) 5.605 7.834 ( 5.643 -9.773 -0.683) 11.306 8.007 ( 6.700 -11.605 -3.512) 13.853 9.214 ( -1.978 3.426 -4.634) 6.093 9.329 ( 0.218 -0.378 0.198) 0.479 9.405 ( -1.577 2.732 -5.661) 6.480 9.557 ( -0.413 0.715 5.874) 5.932 9.616 ( 1.642 -2.844 -6.070) 6.901 9.974 ( -3.225 5.585 2.591) 6.950 10.094 ( -4.443 7.695 -1.099) 8.953 10.174 ( -0.310 0.537 -1.094) 1.258 10.281 ( -1.150 1.992 2.657) 3.514 10.289 ( 0.308 -0.533 6.508) 6.537 10.385 ( 1.346 -2.331 13.367) 13.635 10.390 ( -1.219 2.111 18.445) 18.606 10.516 ( 1.424 -2.466 -5.328) 6.041 10.695 ( 3.807 -6.594 -9.797) 12.408 11.226 ( 0.999 -1.730 22.822) 22.909 11.506 ( 1.238 -2.144 7.897) 8.276 11.600 ( -1.960 3.394 11.376) 12.032 11.701 ( -0.847 1.468 2.015) 2.633 11.877 ( -0.122 0.211 -30.083) 30.084 11.906 ( 1.110 -1.922 -22.137) 22.248 12.007 ( 2.269 -3.930 -8.958) 10.042 12.198 ( -0.115 0.200 -9.635) 9.637 12.274 ( 2.734 -4.735 -8.685) 10.263 12.317 ( 0.278 -0.481 -7.794) 7.814 13.092 ( -0.451 0.781 16.796) 16.820 13.098 ( -0.289 0.501 21.528) 21.536 13.498 ( 1.142 -1.979 0.635) 2.371 13.602 ( -4.133 7.159 -5.221) 9.777 13.810 ( -2.553 4.421 -8.714) 10.099 14.049 ( 3.191 -5.527 -9.441) 11.396 14.415 ( 0.568 -0.984 3.654) 3.827 14.612 ( -0.298 0.517 -3.634) 3.683 14.662 ( 3.070 -5.318 0.473) 6.159 14.707 ( 1.245 -2.157 -1.094) 2.720 14.986 ( -0.255 0.442 0.865) 1.004 15.018 ( 0.786 -1.362 -0.139) 1.579 15.579 ( -0.308 0.534 4.246) 4.290 15.630 ( -0.495 0.858 2.053) 2.280 15.798 ( -4.071 7.051 -4.751) 9.426 15.942 ( 0.484 -0.838 2.302) 2.497 16.064 ( 2.416 -4.185 -17.277) 17.940 16.280 ( 3.037 -5.260 -14.043) 15.300 17.900 ( -0.681 1.179 12.496) 12.570 18.025 ( 1.374 -2.379 22.082) 22.252 18.080 ( 1.361 -2.358 19.150) 19.342 18.313 ( -4.581 7.934 -3.935) 9.971 18.625 ( 1.047 -1.814 -4.427) 4.898 18.662 ( 0.486 -0.842 -4.906) 5.002 19.034 ( -3.195 5.533 1.217) 6.504 19.128 ( -1.826 3.163 -1.764) 4.056 19.264 ( 1.314 -2.276 1.695) 3.127 19.277 ( 0.663 -1.149 1.807) 2.242 19.452 ( 2.844 -4.926 -4.821) 7.456 19.483 ( 0.626 -1.084 -5.305) 5.450 ======================= Grid point 144 (28/42) ======================= q-point: ( 0.30 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.616 ( 6.391 11.070 6.455) 14.320 2.677 ( 4.107 7.114 1.278) 8.313 2.789 ( -2.325 -4.026 1.982) 5.054 2.897 ( -3.089 -5.350 3.269) 6.989 2.912 ( -0.738 -1.278 -4.470) 4.707 2.962 ( 1.013 1.755 -3.972) 4.459 3.003 ( -2.703 -4.681 1.617) 5.642 3.048 ( 0.166 0.288 -5.804) 5.814 3.216 ( -0.799 -1.383 -2.187) 2.708 3.285 ( -1.382 -2.393 -7.835) 8.308 3.299 ( 0.925 1.602 -6.686) 6.937 3.398 ( -3.972 -6.879 -8.172) 11.396 4.313 ( 2.769 4.795 2.248) 5.976 4.408 ( 2.768 4.794 -1.221) 5.668 4.425 ( 5.402 9.356 12.778) 16.733 4.497 ( -3.436 -5.951 2.547) 7.329 4.506 ( -1.541 -2.668 3.835) 4.919 4.601 ( -2.887 -5.000 0.044) 5.773 4.626 ( -2.153 -3.729 -1.593) 4.591 4.659 ( -4.769 -8.259 10.757) 14.376 4.809 ( 2.287 3.960 8.839) 9.952 4.870 ( 9.005 15.598 0.426) 18.016 5.229 ( -4.918 -8.518 -9.619) 13.757 5.288 ( -4.220 -7.309 -6.687) 10.767 6.413 ( 10.195 17.658 7.679) 21.788 6.621 ( 0.830 1.438 6.012) 6.237 6.714 ( -3.278 -5.677 8.966) 11.107 6.833 ( 11.398 19.742 -6.493) 23.703 6.964 ( 3.347 5.797 -2.860) 7.279 7.094 ( 0.835 1.446 4.208) 4.528 7.134 ( -3.679 -6.373 -4.776) 8.773 7.271 ( -5.301 -9.182 3.930) 11.307 7.362 ( -0.545 -0.943 -4.250) 4.388 7.557 ( -5.309 -9.196 -3.898) 11.311 7.660 ( -1.745 -3.023 4.243) 5.494 7.875 ( -1.623 -2.811 -3.759) 4.967 9.249 ( 2.461 4.262 -3.350) 5.953 9.325 ( -1.118 -1.937 -0.704) 2.344 9.445 ( 4.085 7.075 -5.818) 10.030 9.533 ( 0.252 0.437 4.191) 4.221 9.603 ( -2.991 -5.180 -1.497) 6.166 10.059 ( 2.214 3.834 5.321) 6.922 10.128 ( 2.849 4.934 2.126) 6.081 10.181 ( 1.231 2.132 6.355) 6.816 10.310 ( 0.638 1.105 13.812) 13.871 10.334 ( 0.273 0.473 -9.843) 9.858 10.335 ( -2.109 -3.652 19.722) 20.168 10.446 ( -0.643 -1.114 -5.424) 5.574 10.509 ( -1.660 -2.875 -4.257) 5.399 10.566 ( -1.063 -1.841 -6.333) 6.680 11.209 ( -0.847 -1.466 23.133) 23.195 11.484 ( -1.096 -1.899 9.921) 10.161 11.659 ( -0.334 -0.578 11.070) 11.091 11.706 ( -1.497 -2.593 5.357) 6.137 11.877 ( 0.219 0.379 -29.631) 29.634 11.898 ( -0.585 -1.013 -27.884) 27.909 11.952 ( -0.898 -1.556 -8.143) 8.339 12.195 ( 0.376 0.650 -9.402) 9.432 12.226 ( -1.969 -3.411 -9.110) 9.926 12.310 ( 0.432 0.747 -9.436) 9.475 13.090 ( 1.378 2.387 21.861) 22.034 13.115 ( -0.421 -0.729 19.183) 19.202 13.478 ( -0.504 -0.873 2.248) 2.464 13.709 ( 2.959 5.126 -6.136) 8.525 13.822 ( -0.566 -0.981 -9.459) 9.526 13.991 ( 1.206 2.090 -8.023) 8.378 14.396 ( 3.658 6.336 4.141) 8.407 14.605 ( -6.177 -10.698 1.330) 12.425 14.610 ( 1.774 3.072 -4.297) 5.572 14.698 ( -2.911 -5.043 -2.158) 6.210 14.983 ( -1.154 -1.999 0.755) 2.429 15.015 ( -0.365 -0.632 -0.341) 0.805 15.575 ( 2.169 3.757 3.539) 5.599 15.645 ( -1.692 -2.931 2.951) 4.490 15.907 ( 0.758 1.313 -1.204) 1.936 15.960 ( 0.150 0.260 -10.670) 10.674 15.968 ( 1.019 1.765 -9.209) 9.432 16.217 ( -3.162 -5.478 -12.736) 14.220 17.947 ( 1.774 3.073 16.380) 16.760 17.947 ( 0.998 1.729 16.932) 17.049 18.070 ( -4.054 -7.022 20.899) 22.417 18.437 ( 2.779 4.814 -3.956) 6.823 18.553 ( 2.764 4.787 -6.778) 8.746 18.667 ( -2.625 -4.547 -4.742) 7.075 19.121 ( 2.862 4.956 0.513) 5.746 19.172 ( 1.741 3.015 2.619) 4.357 19.187 ( 4.666 8.081 -1.781) 9.500 19.272 ( -3.270 -5.664 1.234) 6.656 19.401 ( -4.886 -8.463 -3.569) 10.403 19.481 ( -2.402 -4.160 -5.301) 7.154 ======================= Grid point 218 (29/42) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( 0.000 0.000 -29.161) 29.161 1.472 ( 0.000 -0.000 -29.161) 29.161 1.472 ( 0.000 0.000 29.161) 29.161 1.472 ( 0.000 0.000 29.161) 29.161 2.638 ( 0.000 -0.000 -55.049) 55.049 2.638 ( 0.000 -0.000 55.049) 55.049 2.823 ( 0.000 0.000 -1.925) 1.925 2.823 ( -0.000 0.000 1.925) 1.925 3.457 ( 0.000 -0.000 -5.896) 5.896 3.457 ( 0.000 0.000 5.896) 5.896 3.671 ( 0.000 0.000 -5.612) 5.612 3.671 ( 0.000 0.000 -5.612) 5.612 3.671 ( 0.000 -0.000 5.612) 5.612 3.671 ( 0.000 0.000 5.612) 5.612 4.674 ( -0.000 0.000 -1.102) 1.102 4.674 ( 0.000 0.000 -1.102) 1.102 4.674 ( 0.000 -0.000 1.102) 1.102 4.674 ( 0.000 0.000 1.102) 1.102 5.108 ( 0.000 0.000 -0.277) 0.277 5.108 ( 0.000 0.000 -0.277) 0.277 5.108 ( -0.000 -0.000 0.277) 0.277 5.108 ( 0.000 -0.000 0.277) 0.277 5.879 ( 0.000 -0.000 -0.496) 0.496 5.879 ( 0.000 -0.000 -0.496) 0.496 5.879 ( 0.000 -0.000 0.496) 0.496 5.879 ( 0.000 -0.000 0.496) 0.496 6.940 ( 0.000 -0.000 -18.859) 18.859 6.940 ( 0.000 -0.000 18.859) 18.859 7.601 ( 0.000 -0.000 -0.330) 0.330 7.601 ( 0.000 -0.000 -0.330) 0.330 7.601 ( 0.000 -0.000 0.330) 0.330 7.601 ( 0.000 0.000 0.330) 0.330 7.657 ( 0.000 0.000 -2.357) 2.357 7.657 ( 0.000 0.000 2.357) 2.357 7.856 ( 0.000 0.000 -5.066) 5.066 7.856 ( 0.000 -0.000 5.066) 5.066 8.463 ( 0.000 0.000 -20.848) 20.848 8.463 ( 0.000 0.000 20.848) 20.848 9.296 ( -0.000 -0.000 -18.795) 18.795 9.296 ( 0.000 -0.000 18.795) 18.795 9.966 ( 0.000 0.000 -3.985) 3.985 9.966 ( -0.000 0.000 -3.985) 3.985 9.966 ( 0.000 -0.000 3.985) 3.985 9.966 ( 0.000 0.000 3.985) 3.985 10.356 ( 0.000 0.000 -9.908) 9.908 10.356 ( 0.000 0.000 -9.908) 9.908 10.356 ( -0.000 -0.000 9.908) 9.908 10.356 ( -0.000 0.000 9.908) 9.908 11.080 ( -0.000 -0.000 -9.370) 9.370 11.080 ( 0.000 0.000 -9.370) 9.370 11.080 ( 0.000 0.000 9.370) 9.370 11.080 ( 0.000 0.000 9.370) 9.370 12.325 ( 0.000 0.000 -10.579) 10.579 12.325 ( 0.000 -0.000 -10.579) 10.579 12.325 ( -0.000 0.000 10.579) 10.579 12.325 ( 0.000 -0.000 10.579) 10.579 12.415 ( 0.000 -0.000 -23.018) 23.018 12.415 ( -0.000 0.000 23.018) 23.018 12.592 ( 0.000 0.000 -25.148) 25.148 12.592 ( 0.000 0.000 25.148) 25.148 12.730 ( 0.000 0.000 -2.968) 2.968 12.730 ( 0.000 0.000 -2.968) 2.968 12.730 ( 0.000 0.000 2.968) 2.968 12.730 ( 0.000 -0.000 2.968) 2.968 14.181 ( 0.000 0.000 -8.323) 8.323 14.181 ( 0.000 0.000 -8.323) 8.323 14.181 ( 0.000 0.000 8.323) 8.323 14.181 ( 0.000 -0.000 8.323) 8.323 14.341 ( 0.000 -0.000 -0.644) 0.644 14.341 ( 0.000 -0.000 0.644) 0.644 15.799 ( 0.000 0.000 -0.340) 0.340 15.799 ( 0.000 0.000 -0.340) 0.340 15.799 ( 0.000 0.000 0.340) 0.340 15.799 ( 0.000 -0.000 0.340) 0.340 15.858 ( 0.000 0.000 -5.091) 5.091 15.858 ( 0.000 0.000 5.091) 5.091 15.879 ( 0.000 0.000 -7.955) 7.955 15.879 ( 0.000 -0.000 7.955) 7.955 17.717 ( 0.000 -0.000 -0.864) 0.864 17.717 ( 0.000 0.000 -0.864) 0.864 17.717 ( 0.000 0.000 0.864) 0.864 17.717 ( 0.000 0.000 0.864) 0.864 18.655 ( 0.000 -0.000 -0.809) 0.809 18.655 ( 0.000 0.000 -0.809) 0.809 18.655 ( 0.000 0.000 0.809) 0.809 18.655 ( -0.000 0.000 0.809) 0.809 19.556 ( 0.000 -0.000 -0.059) 0.059 19.556 ( 0.000 -0.000 0.059) 0.059 21.002 ( 0.000 -0.000 -0.990) 0.990 21.002 ( 0.000 0.000 0.990) 0.990 ======================= Grid point 220 (30/42) ======================= q-point: ( 0.10 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( 3.333 1.924 -30.545) 30.787 1.494 ( 3.333 1.924 30.545) 30.787 1.577 ( 9.065 5.234 -26.544) 28.534 1.577 ( 9.065 5.234 26.544) 28.534 2.827 ( 13.755 7.941 -40.213) 43.236 2.827 ( 13.755 7.941 40.213) 43.236 2.832 ( 1.579 0.912 -0.871) 2.021 2.832 ( 1.579 0.912 0.871) 2.021 3.429 ( -0.528 -0.305 -4.377) 4.419 3.429 ( -0.528 -0.305 4.377) 4.419 3.711 ( 3.505 2.024 -5.224) 6.608 3.711 ( 3.505 2.024 5.224) 6.608 3.893 ( 17.413 10.053 -2.217) 20.229 3.893 ( 17.413 10.053 2.217) 20.229 4.523 ( -12.184 -7.035 -0.382) 14.074 4.523 ( -12.184 -7.035 0.382) 14.074 4.548 ( -9.517 -5.495 -0.229) 10.992 4.548 ( -9.517 -5.495 0.229) 10.992 5.133 ( 0.626 0.362 -7.869) 7.902 5.133 ( 0.626 0.362 7.869) 7.902 5.167 ( 4.359 2.516 -8.004) 9.455 5.167 ( 4.359 2.516 8.004) 9.455 5.730 ( -12.051 -6.957 -0.139) 13.916 5.730 ( -12.051 -6.957 0.139) 13.916 5.787 ( -7.739 -4.468 -0.346) 8.942 5.787 ( -7.739 -4.468 0.346) 8.942 6.851 ( -6.868 -3.965 -13.405) 15.575 6.851 ( -6.868 -3.965 13.405) 15.575 7.487 ( -6.841 -3.950 -3.418) 8.607 7.487 ( -6.841 -3.950 3.418) 8.607 7.561 ( -2.711 -1.565 -1.271) 3.378 7.561 ( -2.711 -1.565 1.271) 3.378 7.738 ( 3.880 2.240 -0.426) 4.501 7.738 ( 3.880 2.240 0.426) 4.501 7.870 ( 2.048 1.182 -1.666) 2.892 7.870 ( 2.048 1.182 1.666) 2.892 8.501 ( 3.275 1.891 -17.877) 18.273 8.501 ( 3.275 1.891 17.877) 18.273 9.257 ( -2.253 -1.301 -14.674) 14.903 9.257 ( -2.253 -1.301 14.674) 14.903 9.961 ( -0.454 -0.262 -3.424) 3.464 9.961 ( -0.454 -0.262 3.424) 3.464 10.088 ( 6.625 3.825 -9.242) 11.997 10.088 ( 6.625 3.825 9.242) 11.997 10.360 ( 0.120 0.069 -5.920) 5.922 10.360 ( 0.120 0.069 5.920) 5.922 10.397 ( 3.647 2.106 -8.729) 9.691 10.397 ( 3.647 2.106 8.729) 9.691 11.087 ( 0.716 0.413 -4.556) 4.630 11.087 ( 0.716 0.413 4.556) 4.630 11.137 ( 4.819 2.782 -9.773) 11.246 11.137 ( 4.819 2.782 9.773) 11.246 12.154 ( -11.810 -6.818 -9.516) 16.629 12.154 ( -11.810 -6.818 9.516) 16.629 12.291 ( -3.110 -1.796 -7.842) 8.625 12.291 ( -3.110 -1.796 7.842) 8.625 12.374 ( -4.283 -2.473 -16.405) 17.134 12.374 ( -4.283 -2.473 16.405) 17.134 12.511 ( -4.420 -2.552 -15.439) 16.260 12.511 ( -4.420 -2.552 15.439) 16.260 12.775 ( 3.762 2.172 -1.929) 4.753 12.775 ( 3.762 2.172 1.929) 4.753 12.885 ( 9.358 5.403 -9.531) 14.409 12.885 ( 9.358 5.403 9.531) 14.409 14.001 ( -8.517 -4.917 -10.380) 14.299 14.001 ( -8.517 -4.917 10.380) 14.299 14.196 ( 1.339 0.773 -7.946) 8.095 14.196 ( 1.339 0.773 7.946) 8.095 14.627 ( 16.525 9.540 -5.743) 19.926 14.627 ( 16.525 9.540 5.743) 19.926 15.656 ( -8.187 -4.727 -2.676) 9.825 15.656 ( -8.187 -4.727 2.676) 9.825 15.702 ( -6.230 -3.597 -2.596) 7.648 15.702 ( -6.230 -3.597 2.596) 7.648 15.939 ( 2.671 1.542 -2.131) 3.749 15.939 ( 2.671 1.542 2.131) 3.749 15.979 ( 5.826 3.364 -1.923) 6.997 15.979 ( 5.826 3.364 1.923) 6.997 17.740 ( 2.165 1.250 -0.754) 2.612 17.740 ( 2.165 1.250 0.754) 2.612 17.765 ( 4.071 2.350 -0.367) 4.715 17.765 ( 4.071 2.350 0.367) 4.715 18.664 ( 0.723 0.417 -0.403) 0.927 18.664 ( 0.723 0.417 0.403) 0.927 18.675 ( 1.799 1.038 -0.007) 2.077 18.675 ( 1.799 1.038 0.007) 2.077 19.560 ( 0.083 0.048 -0.934) 0.939 19.560 ( 0.083 0.048 0.934) 0.939 20.765 ( -18.579 -10.727 -10.858) 24.044 20.765 ( -18.579 -10.727 10.858) 24.044 ======================= Grid point 222 (31/42) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( 12.071 6.969 -24.349) 28.057 1.668 ( 12.071 6.969 24.349) 28.057 1.859 ( 15.337 8.855 -20.584) 27.154 1.859 ( 15.337 8.855 20.584) 27.154 2.853 ( 1.125 0.650 -1.046) 1.668 2.853 ( 1.125 0.650 1.046) 1.668 3.150 ( 9.878 5.703 -14.501) 18.449 3.150 ( 9.878 5.703 14.501) 18.449 3.504 ( 9.523 5.498 -7.592) 13.363 3.504 ( 9.523 5.498 7.592) 13.363 3.822 ( 5.872 3.390 -4.002) 7.874 3.822 ( 5.872 3.390 4.002) 7.874 4.183 ( -15.872 -9.164 -2.842) 18.546 4.183 ( -15.872 -9.164 2.842) 18.546 4.248 ( -8.526 -4.922 -0.092) 9.845 4.248 ( -8.526 -4.922 0.092) 9.845 4.440 ( 20.896 12.065 -0.505) 24.134 4.440 ( 20.896 12.065 0.505) 24.134 5.094 ( -4.282 -2.472 -11.008) 12.068 5.094 ( -4.282 -2.472 11.008) 12.068 5.258 ( 2.067 1.194 -10.886) 11.145 5.258 ( 2.067 1.194 10.886) 11.145 5.415 ( -13.159 -7.598 -0.932) 15.224 5.415 ( -13.159 -7.598 0.932) 15.224 5.559 ( -11.638 -6.719 -1.695) 13.545 5.559 ( -11.638 -6.719 1.695) 13.545 6.700 ( -5.317 -3.070 -8.092) 10.157 6.700 ( -5.317 -3.070 8.092) 10.157 7.321 ( -7.532 -4.349 -3.323) 9.310 7.321 ( -7.532 -4.349 3.323) 9.310 7.499 ( -3.009 -1.737 -3.622) 5.019 7.499 ( -3.009 -1.737 3.622) 5.019 7.783 ( -0.715 -0.413 -0.712) 1.090 7.783 ( -0.715 -0.413 0.712) 1.090 7.956 ( 5.304 3.062 -0.889) 6.188 7.956 ( 5.304 3.062 0.889) 6.188 8.612 ( 6.616 3.820 -10.692) 13.141 8.612 ( 6.616 3.820 10.692) 13.141 9.231 ( 0.267 0.154 -7.413) 7.420 9.231 ( 0.267 0.154 7.413) 7.420 9.943 ( -1.173 -0.677 -3.235) 3.507 9.943 ( -1.173 -0.677 3.235) 3.507 10.147 ( -1.490 -0.860 -14.089) 14.193 10.147 ( -1.490 -0.860 14.089) 14.193 10.362 ( 0.286 0.165 -3.936) 3.950 10.362 ( 0.286 0.165 3.936) 3.950 10.497 ( 4.169 2.407 -11.220) 12.209 10.497 ( 4.169 2.407 11.220) 12.209 11.115 ( 1.658 0.957 -8.799) 9.005 11.115 ( 1.658 0.957 8.799) 9.005 11.251 ( 3.349 1.934 -16.364) 16.815 11.251 ( 3.349 1.934 16.364) 16.815 11.907 ( -8.190 -4.729 -5.414) 10.897 11.907 ( -8.190 -4.729 5.414) 10.897 12.164 ( -8.558 -4.941 -0.906) 9.924 12.164 ( -8.558 -4.941 0.906) 9.924 12.237 ( -6.556 -3.785 -6.468) 9.957 12.237 ( -6.556 -3.785 6.468) 9.957 12.416 ( -4.267 -2.464 -7.331) 8.833 12.416 ( -4.267 -2.464 7.331) 8.833 12.898 ( 6.899 3.983 -4.021) 8.923 12.898 ( 6.899 3.983 4.021) 8.923 13.098 ( 9.497 5.483 -4.921) 12.020 13.098 ( 9.497 5.483 4.921) 12.020 13.835 ( -6.270 -3.620 -10.886) 13.074 13.835 ( -6.270 -3.620 10.886) 13.074 14.241 ( 2.651 1.531 -7.010) 7.649 14.241 ( 2.651 1.531 7.010) 7.649 14.975 ( 12.991 7.500 -7.596) 16.814 14.975 ( 12.991 7.500 7.596) 16.814 15.462 ( -8.842 -5.105 -2.853) 10.600 15.462 ( -8.842 -5.105 2.853) 10.600 15.540 ( -7.545 -4.356 -2.149) 8.973 15.540 ( -7.545 -4.356 2.149) 8.973 15.955 ( -1.162 -0.671 -0.002) 1.342 15.955 ( -1.162 -0.671 0.002) 1.342 16.089 ( 3.345 1.931 -3.868) 5.466 16.089 ( 3.345 1.931 3.868) 5.466 17.820 ( 4.759 2.748 -0.372) 5.508 17.820 ( 4.759 2.748 0.372) 5.508 17.891 ( 6.881 3.973 -4.522) 9.142 17.891 ( 6.881 3.973 4.522) 9.142 18.683 ( 0.867 0.501 -0.273) 1.038 18.683 ( 0.867 0.501 0.273) 1.038 18.739 ( 3.866 2.232 -1.418) 4.683 18.739 ( 3.866 2.232 1.418) 4.683 19.543 ( -1.983 -1.145 -3.205) 3.939 19.543 ( -1.983 -1.145 3.205) 3.939 20.291 ( -21.306 -12.301 -21.662) 32.780 20.291 ( -21.306 -12.301 21.662) 32.780 ======================= Grid point 224 (32/42) ======================= q-point: ( 0.30 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.006 ( 16.832 9.718 -13.963) 23.931 2.006 ( 16.832 9.718 13.963) 23.931 2.244 ( 18.194 10.504 -14.416) 25.479 2.244 ( 18.194 10.504 14.416) 25.479 2.875 ( 0.503 0.291 -0.205) 0.617 2.875 ( 0.503 0.291 0.205) 0.617 3.237 ( 0.221 0.128 -0.970) 1.003 3.237 ( 0.221 0.128 0.970) 1.003 3.737 ( -8.962 -5.174 -2.844) 10.732 3.737 ( -8.962 -5.174 2.844) 10.732 3.852 ( 0.146 0.085 -7.918) 7.919 3.852 ( 0.146 0.085 7.918) 7.919 3.919 ( -1.714 -0.989 -2.389) 3.102 3.919 ( -1.714 -0.989 2.389) 3.102 4.070 ( 4.962 2.865 -1.694) 5.975 4.070 ( 4.962 2.865 1.694) 5.975 4.859 ( -2.910 -1.680 -6.343) 7.178 4.859 ( -2.910 -1.680 6.343) 7.178 5.028 ( -3.387 -1.956 -3.196) 5.051 5.028 ( -3.387 -1.956 3.196) 5.051 5.138 ( 5.610 3.239 -2.412) 6.912 5.138 ( 5.610 3.239 2.412) 6.912 5.273 ( -6.148 -3.550 -2.447) 7.509 5.273 ( -6.148 -3.550 2.447) 7.509 5.411 ( 4.743 2.738 -9.616) 11.066 5.411 ( 4.743 2.738 9.616) 11.066 6.630 ( -1.159 -0.669 -6.044) 6.190 6.630 ( -1.159 -0.669 6.044) 6.190 7.155 ( -7.173 -4.142 -0.640) 8.308 7.155 ( -7.173 -4.142 0.640) 8.308 7.403 ( -6.113 -3.529 -5.130) 8.726 7.403 ( -6.113 -3.529 5.130) 8.726 7.717 ( -4.103 -2.369 -1.874) 5.095 7.717 ( -4.103 -2.369 1.874) 5.095 8.078 ( 4.843 2.796 -1.125) 5.704 8.078 ( 4.843 2.796 1.125) 5.704 8.797 ( 9.614 5.550 -2.053) 11.289 8.797 ( 9.614 5.550 2.053) 11.289 9.274 ( 3.536 2.042 -0.032) 4.083 9.274 ( 3.536 2.042 0.032) 4.083 9.905 ( -2.266 -1.308 -5.128) 5.757 9.905 ( -2.266 -1.308 5.128) 5.757 10.051 ( -6.258 -3.613 -10.973) 13.139 10.051 ( -6.258 -3.613 10.973) 13.139 10.376 ( 0.845 0.488 -8.728) 8.782 10.376 ( 0.845 0.488 8.728) 8.782 10.567 ( 2.169 1.252 -14.223) 14.442 10.567 ( 2.169 1.252 14.223) 14.442 11.148 ( 0.507 0.293 -24.163) 24.170 11.148 ( 0.507 0.293 24.163) 24.170 11.231 ( -3.778 -2.181 -26.958) 27.309 11.231 ( -3.778 -2.181 26.958) 27.309 11.829 ( -0.127 -0.073 -3.590) 3.593 11.829 ( -0.127 -0.073 3.590) 3.593 11.945 ( -9.627 -5.558 -1.435) 11.209 11.945 ( -9.627 -5.558 1.435) 11.209 12.090 ( -5.928 -3.423 -1.265) 6.962 12.090 ( -5.928 -3.423 1.265) 6.962 12.317 ( -4.328 -2.499 -0.667) 5.041 12.317 ( -4.328 -2.499 0.667) 5.041 13.061 ( 7.034 4.061 -6.631) 10.485 13.061 ( 7.034 4.061 6.631) 10.485 13.321 ( 9.913 5.723 -6.449) 13.138 13.321 ( 9.913 5.723 6.449) 13.138 13.722 ( -3.349 -1.934 -9.979) 10.702 13.722 ( -3.349 -1.934 9.979) 10.702 14.317 ( 4.199 2.424 -5.631) 7.431 14.317 ( 4.199 2.424 5.631) 7.431 15.120 ( -3.003 -1.734 -1.097) 3.637 15.120 ( -3.003 -1.734 1.097) 3.637 15.264 ( -8.419 -4.861 -2.441) 10.023 15.264 ( -8.419 -4.861 2.441) 10.023 15.445 ( 2.045 1.180 -3.913) 4.570 15.445 ( 2.045 1.180 3.913) 4.570 15.900 ( -3.249 -1.876 -2.703) 4.624 15.900 ( -3.249 -1.876 2.703) 4.624 16.126 ( 0.172 0.099 -7.649) 7.651 16.126 ( 0.172 0.099 7.649) 7.651 17.934 ( 4.788 2.765 -2.618) 6.118 17.934 ( 4.788 2.765 2.618) 6.118 18.070 ( 8.917 5.148 -10.559) 14.748 18.070 ( 8.917 5.148 10.559) 14.748 18.694 ( -0.224 -0.129 -1.420) 1.443 18.694 ( -0.224 -0.129 1.420) 1.443 18.846 ( 5.411 3.124 -1.804) 6.503 18.846 ( 5.411 3.124 1.804) 6.503 19.462 ( -5.152 -2.975 -7.576) 9.633 19.462 ( -5.152 -2.975 7.576) 9.633 19.859 ( -16.268 -9.392 -20.055) 27.478 19.859 ( -16.268 -9.392 20.055) 27.478 ======================= Grid point 226 (33/42) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.384 ( 15.748 9.092 -7.642) 19.724 2.384 ( 15.748 9.092 7.642) 19.724 2.656 ( 17.544 10.129 -9.932) 22.562 2.656 ( 17.544 10.129 9.932) 22.562 2.859 ( -2.115 -1.221 -1.841) 3.058 2.859 ( -2.115 -1.221 1.841) 3.058 3.221 ( -0.875 -0.505 -1.749) 2.020 3.221 ( -0.875 -0.505 1.749) 2.020 3.439 ( -12.823 -7.404 -1.638) 14.897 3.439 ( -12.823 -7.404 1.638) 14.897 3.541 ( -14.819 -8.556 -1.616) 17.187 3.541 ( -14.819 -8.556 1.616) 17.187 4.200 ( 11.364 6.561 -1.798) 13.245 4.200 ( 11.364 6.561 1.798) 13.245 4.302 ( 13.152 7.593 -1.470) 15.257 4.302 ( 13.152 7.593 1.470) 15.257 4.677 ( -8.383 -4.840 -4.551) 10.696 4.677 ( -8.383 -4.840 4.551) 10.696 4.816 ( -8.769 -5.063 -4.952) 11.272 4.816 ( -8.769 -5.063 4.952) 11.272 4.962 ( -12.068 -6.968 -1.747) 14.044 4.962 ( -12.068 -6.968 1.747) 14.044 5.388 ( 2.382 1.375 -14.239) 14.502 5.388 ( 2.382 1.375 14.239) 14.502 5.830 ( 26.155 15.101 -3.141) 30.364 5.830 ( 26.155 15.101 3.141) 30.364 6.606 ( -3.094 -1.786 -2.309) 4.254 6.606 ( -3.094 -1.786 2.309) 4.254 7.002 ( -5.639 -3.256 -2.316) 6.911 7.002 ( -5.639 -3.256 2.316) 6.911 7.216 ( -9.414 -5.435 -4.037) 11.596 7.216 ( -9.414 -5.435 4.037) 11.596 7.641 ( -2.174 -1.255 -5.715) 6.242 7.641 ( -2.174 -1.255 5.715) 6.242 8.161 ( 2.432 1.404 -3.912) 4.816 8.161 ( 2.432 1.404 3.912) 4.816 9.022 ( 9.274 5.354 -5.343) 11.968 9.022 ( 9.274 5.354 5.343) 11.968 9.375 ( 4.808 2.776 -6.541) 8.580 9.375 ( 4.808 2.776 6.541) 8.580 9.832 ( -4.883 -2.819 -13.400) 14.538 9.832 ( -4.883 -2.819 13.400) 14.538 9.906 ( -4.942 -2.854 -3.895) 6.910 9.906 ( -4.942 -2.854 3.895) 6.910 10.399 ( 1.254 0.724 -7.977) 8.107 10.399 ( 1.254 0.724 7.977) 8.107 10.590 ( -0.419 -0.242 -13.931) 13.940 10.590 ( -0.419 -0.242 13.931) 13.940 11.110 ( -1.379 -0.796 -32.925) 32.964 11.110 ( -1.379 -0.796 32.925) 32.964 11.190 ( -1.035 -0.597 -34.248) 34.269 11.190 ( -1.035 -0.597 34.248) 34.269 11.746 ( -5.844 -3.374 -1.381) 6.888 11.746 ( -5.844 -3.374 1.381) 6.888 11.811 ( -3.656 -2.111 -2.153) 4.738 11.811 ( -3.656 -2.111 2.153) 4.738 12.019 ( -0.130 -0.075 -5.092) 5.094 12.019 ( -0.130 -0.075 5.092) 5.094 12.229 ( -3.205 -1.851 -4.861) 6.110 12.229 ( -3.205 -1.851 4.861) 6.110 13.210 ( 6.106 3.525 -7.969) 10.640 13.210 ( 6.106 3.525 7.969) 10.640 13.459 ( 0.315 0.182 -11.357) 11.363 13.459 ( 0.315 0.182 11.357) 11.363 13.735 ( 5.091 2.940 -14.228) 15.395 13.735 ( 5.091 2.940 14.228) 15.395 14.432 ( 5.896 3.404 -4.027) 7.910 14.432 ( 5.896 3.404 4.027) 7.910 14.931 ( -10.451 -6.034 -3.208) 12.487 14.931 ( -10.451 -6.034 3.208) 12.487 15.093 ( -6.180 -3.568 -2.967) 7.728 15.093 ( -6.180 -3.568 2.967) 7.728 15.558 ( 5.206 3.006 -2.293) 6.434 15.558 ( 5.206 3.006 2.293) 6.434 15.825 ( -3.074 -1.775 -7.435) 8.239 15.825 ( -3.074 -1.775 7.435) 8.239 16.115 ( -0.773 -0.446 -9.242) 9.285 16.115 ( -0.773 -0.446 9.242) 9.285 18.019 ( 2.563 1.480 -3.179) 4.343 18.019 ( 2.563 1.480 3.179) 4.343 18.287 ( 10.035 5.794 -13.725) 17.962 18.287 ( 10.035 5.794 13.725) 17.962 18.653 ( -3.951 -2.281 -5.553) 7.187 18.653 ( -3.951 -2.281 5.553) 7.187 18.962 ( 4.095 2.364 -0.939) 4.820 18.962 ( 4.095 2.364 0.939) 4.820 19.347 ( -3.193 -1.843 -10.503) 11.132 19.347 ( -3.193 -1.843 10.503) 11.132 19.564 ( -10.204 -5.891 -10.014) 15.463 19.564 ( -10.204 -5.891 10.014) 15.463 ======================= Grid point 228 (34/42) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 49 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.639 ( 0.000 0.000 -5.309) 5.309 2.639 ( -0.000 -0.000 5.309) 5.309 2.746 ( 0.000 0.000 -3.951) 3.951 2.746 ( 0.000 0.000 3.951) 3.951 3.034 ( 0.000 0.000 -6.818) 6.818 3.034 ( 0.000 0.000 6.818) 6.818 3.120 ( -0.000 -0.000 -8.575) 8.575 3.120 ( 0.000 0.000 8.575) 8.575 3.237 ( 0.000 0.000 -1.498) 1.498 3.237 ( -0.000 -0.000 1.498) 1.498 3.355 ( 0.000 0.000 -5.911) 5.911 3.355 ( 0.000 0.000 5.911) 5.911 4.383 ( -0.000 -0.000 -5.899) 5.899 4.383 ( -0.000 -0.000 5.899) 5.899 4.478 ( 0.000 0.000 -0.123) 0.123 4.478 ( 0.000 0.000 0.123) 0.123 4.584 ( -0.000 -0.000 -1.366) 1.366 4.584 ( -0.000 -0.000 1.366) 1.366 4.709 ( 0.000 0.000 -2.017) 2.017 4.709 ( 0.000 0.000 2.017) 2.017 4.745 ( 0.000 0.000 -3.264) 3.264 4.745 ( 0.000 0.000 3.264) 3.264 5.411 ( 0.000 0.000 -14.755) 14.755 5.411 ( 0.000 0.000 14.755) 14.755 6.357 ( -0.000 -0.000 -0.715) 0.715 6.357 ( 0.000 0.000 0.715) 0.715 6.366 ( 0.000 0.000 -0.712) 0.712 6.366 ( -0.000 -0.000 0.712) 0.712 6.952 ( 0.000 0.000 -0.847) 0.847 6.952 ( -0.000 -0.000 0.847) 0.847 7.077 ( 0.000 0.000 -7.008) 7.008 7.077 ( 0.000 0.000 7.008) 7.008 7.618 ( 0.000 0.000 -7.639) 7.639 7.618 ( 0.000 0.000 7.639) 7.639 8.188 ( 0.000 0.000 -5.056) 5.056 8.188 ( 0.000 0.000 5.056) 5.056 9.146 ( 0.000 0.000 -8.796) 8.796 9.146 ( 0.000 0.000 8.796) 8.796 9.447 ( 0.000 0.000 -9.648) 9.648 9.447 ( 0.000 0.000 9.648) 9.648 9.740 ( -0.000 -0.000 -16.028) 16.028 9.740 ( -0.000 -0.000 16.028) 16.028 9.856 ( 0.000 0.000 -0.813) 0.813 9.856 ( 0.000 0.000 0.813) 0.813 10.422 ( 0.000 0.000 -7.002) 7.002 10.422 ( 0.000 0.000 7.002) 7.002 10.570 ( 0.000 0.000 -13.891) 13.891 10.570 ( -0.000 -0.000 13.891) 13.891 11.132 ( -0.000 -0.000 -35.398) 35.398 11.132 ( -0.000 -0.000 35.398) 35.398 11.145 ( 0.000 0.000 -37.282) 37.282 11.145 ( 0.000 0.000 37.282) 37.282 11.681 ( 0.000 0.000 -0.246) 0.246 11.681 ( 0.000 0.000 0.246) 0.246 11.753 ( 0.000 0.000 -0.955) 0.955 11.753 ( 0.000 0.000 0.955) 0.955 12.029 ( 0.000 0.000 -10.158) 10.158 12.029 ( 0.000 0.000 10.158) 10.158 12.189 ( 0.000 0.000 -8.619) 8.619 12.189 ( 0.000 0.000 8.619) 8.619 13.305 ( 0.000 0.000 -7.460) 7.460 13.305 ( 0.000 0.000 7.460) 7.460 13.422 ( -0.000 -0.000 -11.322) 11.322 13.422 ( -0.000 -0.000 11.322) 11.322 13.822 ( 0.000 0.000 -18.783) 18.783 13.822 ( 0.000 0.000 18.783) 18.783 14.539 ( 0.000 0.000 -3.142) 3.142 14.539 ( 0.000 0.000 3.142) 3.142 14.763 ( 0.000 0.000 -2.438) 2.438 14.763 ( 0.000 0.000 2.438) 2.438 15.017 ( 0.000 0.000 -2.753) 2.753 15.017 ( 0.000 0.000 2.753) 2.753 15.626 ( 0.000 0.000 -4.078) 4.078 15.626 ( -0.000 -0.000 4.078) 4.078 15.782 ( 0.000 0.000 -13.729) 13.729 15.782 ( 0.000 0.000 13.729) 13.729 16.104 ( 0.000 0.000 -9.573) 9.573 16.104 ( 0.000 0.000 9.573) 9.573 18.048 ( 0.000 0.000 -3.055) 3.055 18.048 ( 0.000 0.000 3.055) 3.055 18.502 ( 0.000 0.000 -11.296) 11.296 18.502 ( 0.000 0.000 11.296) 11.296 18.509 ( -0.000 -0.000 -12.793) 12.793 18.509 ( -0.000 -0.000 12.793) 12.793 19.005 ( 0.000 0.000 -4.946) 4.946 19.005 ( 0.000 0.000 4.946) 4.946 19.366 ( 0.000 0.000 -5.513) 5.513 19.366 ( -0.000 -0.000 5.513) 5.513 19.395 ( 0.000 0.000 -6.541) 6.541 19.395 ( 0.000 0.000 6.541) 6.541 ======================= Grid point 242 (35/42) ======================= q-point: ( 0.10 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( 6.156 10.663 -27.848) 30.449 1.612 ( 6.156 10.663 27.848) 30.449 1.758 ( 7.417 12.847 -23.393) 27.700 1.758 ( 7.417 12.847 23.393) 27.700 2.847 ( 0.636 1.102 -1.284) 1.807 2.847 ( 0.636 1.102 1.284) 1.807 3.080 ( 7.936 13.745 -23.360) 28.241 3.080 ( 7.936 13.745 23.360) 28.241 3.460 ( 3.168 5.488 -2.875) 6.958 3.460 ( 3.168 5.488 2.875) 6.958 3.781 ( 2.873 4.975 -4.675) 7.407 3.781 ( 2.873 4.975 4.675) 7.407 4.218 ( 7.211 12.490 -2.261) 14.598 4.218 ( 7.211 12.490 2.261) 14.598 4.320 ( -8.397 -14.543 -1.769) 16.886 4.320 ( -8.397 -14.543 1.769) 16.886 4.355 ( -1.123 -1.945 -2.319) 3.228 4.355 ( -1.123 -1.945 2.319) 3.228 5.173 ( 0.319 0.553 -11.129) 11.147 5.173 ( 0.319 0.553 11.129) 11.147 5.184 ( 0.121 0.209 -10.471) 10.474 5.184 ( 0.121 0.209 10.471) 10.474 5.511 ( -7.802 -13.513 -4.157) 16.148 5.511 ( -7.802 -13.513 4.157) 16.148 5.620 ( -6.823 -11.818 -3.338) 14.049 5.620 ( -6.823 -11.818 3.338) 14.049 6.737 ( -3.551 -6.150 -8.997) 11.462 6.737 ( -3.551 -6.150 8.997) 11.462 7.379 ( -3.830 -6.634 -6.677) 10.162 7.379 ( -3.830 -6.634 6.677) 10.162 7.510 ( -1.705 -2.953 -6.573) 7.405 7.510 ( -1.705 -2.953 6.573) 7.405 7.788 ( 1.104 1.913 -1.471) 2.654 7.788 ( 1.104 1.913 1.471) 2.654 7.913 ( 1.558 2.698 -2.401) 3.933 7.913 ( 1.558 2.698 2.401) 3.933 8.576 ( 3.436 5.951 -13.009) 14.713 8.576 ( 3.436 5.951 13.009) 14.713 9.232 ( -0.329 -0.570 -9.432) 9.455 9.232 ( -0.329 -0.570 9.432) 9.455 9.965 ( 0.252 0.437 -3.772) 3.805 9.965 ( 0.252 0.437 3.772) 3.805 10.126 ( -0.553 -0.957 -14.787) 14.828 10.126 ( -0.553 -0.957 14.787) 14.828 10.417 ( 1.912 3.311 -8.247) 9.091 10.417 ( 1.912 3.311 8.247) 9.091 10.422 ( 0.930 1.611 -7.177) 7.415 10.422 ( 0.930 1.611 7.177) 7.415 11.108 ( 0.951 1.646 -5.563) 5.879 11.108 ( 0.951 1.646 5.563) 5.879 11.221 ( 2.551 4.418 -13.881) 14.789 11.221 ( 2.551 4.418 13.881) 14.789 11.952 ( -6.358 -11.013 -7.073) 14.552 11.952 ( -6.358 -11.013 7.073) 14.552 12.200 ( -3.905 -6.763 -11.614) 13.996 12.200 ( -3.905 -6.763 11.614) 13.996 12.348 ( -1.524 -2.639 -10.484) 10.918 12.348 ( -1.524 -2.639 10.484) 10.918 12.392 ( -4.219 -7.307 -13.699) 16.089 12.392 ( -4.219 -7.307 13.699) 16.089 12.873 ( 4.183 7.246 -3.883) 9.224 12.873 ( 4.183 7.246 3.883) 9.224 13.029 ( 4.854 8.408 -8.205) 12.711 13.029 ( 4.854 8.408 8.205) 12.711 13.874 ( -3.983 -6.898 -11.102) 13.664 13.874 ( -3.983 -6.898 11.102) 13.664 14.227 ( 1.338 2.318 -7.839) 8.283 14.227 ( 1.338 2.318 7.839) 8.283 14.890 ( 8.447 14.631 -8.066) 18.722 14.890 ( 8.447 14.631 8.066) 18.722 15.517 ( -4.956 -8.585 -3.065) 10.376 15.517 ( -4.956 -8.585 3.065) 10.376 15.583 ( -4.514 -7.819 -2.659) 9.412 15.583 ( -4.514 -7.819 2.659) 9.412 15.963 ( -0.012 -0.020 -1.702) 1.703 15.963 ( -0.012 -0.020 1.702) 1.703 16.063 ( 2.370 4.105 -2.304) 5.271 16.063 ( 2.370 4.105 2.304) 5.271 17.793 ( 2.498 4.327 -4.917) 7.010 17.793 ( 2.498 4.327 4.917) 7.010 17.850 ( 3.505 6.070 -4.894) 8.549 17.850 ( 3.505 6.070 4.894) 8.549 18.682 ( 0.716 1.241 -2.233) 2.653 18.682 ( 0.716 1.241 2.233) 2.653 18.713 ( 1.748 3.028 -1.760) 3.915 18.713 ( 1.748 3.028 1.760) 3.915 19.552 ( -0.747 -1.294 -2.486) 2.901 19.552 ( -0.747 -1.294 2.486) 2.901 20.422 ( -12.491 -21.636 -19.797) 31.876 20.422 ( -12.491 -21.636 19.797) 31.876 ======================= Grid point 244 (36/42) ======================= q-point: ( 0.20 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.896 ( 11.058 15.716 -18.581) 26.731 1.896 ( 11.058 15.716 18.581) 26.731 2.066 ( 14.180 11.928 -17.792) 25.689 2.066 ( 14.180 11.928 17.792) 25.689 2.870 ( 0.739 1.053 -0.459) 1.366 2.870 ( 0.739 1.053 0.459) 1.366 3.231 ( 1.399 1.892 -1.307) 2.692 3.231 ( 1.399 1.892 1.307) 2.692 3.707 ( 11.079 13.940 -11.658) 21.283 3.707 ( 11.079 13.940 11.658) 21.283 3.855 ( -1.614 -4.021 -2.055) 4.795 3.855 ( -1.614 -4.021 2.055) 4.795 3.982 ( -10.002 -10.409 -3.715) 14.906 3.982 ( -10.002 -10.409 3.715) 14.906 4.059 ( -4.247 -7.892 -3.643) 9.674 4.059 ( -4.247 -7.892 3.643) 9.674 4.810 ( 16.208 20.832 -2.706) 26.533 4.810 ( 16.208 20.832 2.706) 26.533 5.066 ( -6.795 -1.730 -7.530) 10.289 5.066 ( -6.795 -1.730 7.530) 10.289 5.160 ( -3.760 -7.569 -6.769) 10.828 5.160 ( -3.760 -7.569 6.769) 10.828 5.329 ( -3.668 -3.132 -3.334) 5.863 5.329 ( -3.668 -3.132 3.334) 5.863 5.380 ( -3.894 -8.505 -2.543) 9.693 5.380 ( -3.894 -8.505 2.543) 9.693 6.653 ( -1.801 -1.059 -7.142) 7.442 6.653 ( -1.801 -1.059 7.142) 7.442 7.239 ( -6.165 -4.080 -6.105) 9.588 7.239 ( -6.165 -4.080 6.105) 9.588 7.447 ( -2.895 -3.102 -6.344) 7.632 7.447 ( -2.895 -3.102 6.344) 7.632 7.772 ( -3.962 -0.959 -2.417) 4.739 7.772 ( -3.962 -0.959 2.417) 4.739 7.978 ( 5.440 -1.477 -3.180) 6.472 7.978 ( 5.440 -1.477 3.180) 6.472 8.732 ( 6.484 8.427 -5.687) 12.058 8.732 ( 6.484 8.427 5.687) 12.058 9.252 ( 1.863 2.281 -3.057) 4.245 9.252 ( 1.863 2.281 3.057) 4.245 9.961 ( -2.830 2.303 -3.738) 5.223 9.961 ( -2.830 2.303 3.738) 5.223 10.075 ( -1.318 -5.121 -10.541) 11.793 10.075 ( -1.318 -5.121 10.541) 11.793 10.401 ( -2.979 2.257 -5.259) 6.451 10.401 ( -2.979 2.257 5.259) 6.451 10.500 ( 4.577 -2.124 -11.423) 12.488 10.500 ( 4.577 -2.124 11.423) 12.488 11.143 ( 0.827 1.523 -18.048) 18.131 11.143 ( 0.827 1.523 18.048) 18.131 11.241 ( -1.414 -3.676 -25.127) 25.434 11.241 ( -1.414 -3.676 25.127) 25.434 11.821 ( -0.592 -2.080 -6.108) 6.480 11.821 ( -0.592 -2.080 6.108) 6.480 12.033 ( -7.146 -7.623 -8.849) 13.692 12.033 ( -7.146 -7.623 8.849) 13.692 12.197 ( -9.144 -2.225 -3.253) 9.957 12.197 ( -9.144 -2.225 3.253) 9.957 12.315 ( -0.401 -6.645 -2.934) 7.275 12.315 ( -0.401 -6.645 2.934) 7.275 13.038 ( 4.515 9.815 -7.938) 13.406 13.038 ( 4.515 9.815 7.938) 13.406 13.208 ( 8.595 5.501 -2.401) 10.484 13.208 ( 8.595 5.501 2.401) 10.484 13.754 ( -3.476 -4.063 -10.407) 11.700 13.754 ( -3.476 -4.063 10.407) 11.700 14.285 ( 2.583 2.858 -6.949) 7.945 14.285 ( 2.583 2.858 6.949) 7.945 15.113 ( 3.527 3.942 -3.272) 6.219 15.113 ( 3.527 3.942 3.272) 6.219 15.338 ( -6.763 -7.117 -3.028) 10.274 15.338 ( -6.763 -7.117 3.028) 10.274 15.444 ( -2.241 -3.424 -4.212) 5.872 15.444 ( -2.241 -3.424 4.212) 5.872 15.930 ( -2.377 -2.090 -2.922) 4.308 15.930 ( -2.377 -2.090 2.922) 4.308 16.114 ( 0.973 0.314 -6.283) 6.366 16.114 ( 0.973 0.314 6.283) 6.366 17.902 ( 3.965 5.582 -5.839) 8.999 17.902 ( 3.965 5.582 5.839) 8.999 17.991 ( 6.156 5.866 -8.096) 11.742 17.991 ( 6.156 5.866 8.096) 11.742 18.703 ( 0.021 1.172 -2.123) 2.425 18.703 ( 0.021 1.172 2.123) 2.425 18.797 ( 4.078 3.813 -1.886) 5.893 18.797 ( 4.078 3.813 1.886) 5.893 19.495 ( -3.153 -4.060 -5.863) 7.797 19.495 ( -3.153 -4.060 5.863) 7.797 20.002 ( -13.929 -15.615 -21.708) 30.151 20.002 ( -13.929 -15.615 21.708) 30.151 ======================= Grid point 246 (37/42) ======================= q-point: ( 0.30 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.254 ( 12.649 14.721 -9.989) 21.829 2.254 ( 12.649 14.721 9.989) 21.829 2.448 ( 17.416 10.069 -12.080) 23.465 2.448 ( 17.416 10.069 12.080) 23.465 2.881 ( -0.782 0.382 -1.412) 1.658 2.881 ( -0.782 0.382 1.412) 1.658 3.230 ( -1.010 -0.955 -1.580) 2.104 3.230 ( -1.010 -0.955 1.580) 2.104 3.555 ( -12.079 -11.698 -3.471) 17.169 3.555 ( -12.079 -11.698 3.471) 17.169 3.654 ( -11.250 -14.140 -3.866) 18.478 3.654 ( -11.250 -14.140 3.866) 18.478 4.104 ( 10.757 12.460 -5.105) 17.235 4.104 ( 10.757 12.460 5.105) 17.235 4.165 ( 10.806 7.066 -3.032) 13.263 4.165 ( 10.806 7.066 3.032) 13.263 4.783 ( -9.169 -5.682 -4.043) 11.520 4.783 ( -9.169 -5.682 4.043) 11.520 4.918 ( -9.985 -7.129 -5.209) 13.329 4.918 ( -9.985 -7.129 5.209) 13.329 5.080 ( -9.907 -6.661 -3.369) 12.404 5.080 ( -9.907 -6.661 3.369) 12.404 5.313 ( 6.186 -0.792 -12.601) 14.060 5.313 ( 6.186 -0.792 12.601) 14.060 5.617 ( 20.474 21.549 -4.050) 29.999 5.617 ( 20.474 21.549 4.050) 29.999 6.648 ( -0.721 2.800 -4.997) 5.773 6.648 ( -0.721 2.800 4.997) 5.773 7.094 ( -7.190 -2.275 -3.401) 8.273 7.094 ( -7.190 -2.275 3.401) 8.273 7.321 ( -8.392 -4.335 -4.436) 10.435 7.321 ( -8.392 -4.335 4.436) 10.435 7.671 ( -4.153 -2.700 -4.592) 6.755 7.671 ( -4.153 -2.700 4.592) 6.755 8.052 ( 6.882 -5.422 -4.076) 9.663 8.052 ( 6.882 -5.422 4.076) 9.663 8.946 ( 7.932 9.169 -2.032) 12.292 8.946 ( 7.932 9.169 2.032) 12.292 9.334 ( 3.811 3.893 -4.205) 6.882 9.334 ( 3.811 3.893 4.205) 6.882 9.904 ( -5.276 -0.125 -9.888) 11.208 9.904 ( -5.276 -0.125 9.888) 11.208 9.988 ( -5.161 -0.723 -5.772) 7.777 9.988 ( -5.161 -0.723 5.772) 7.777 10.383 ( 0.184 -0.353 -6.176) 6.188 10.383 ( 0.184 -0.353 6.176) 6.188 10.537 ( 3.530 -4.272 -12.110) 13.318 10.537 ( 3.530 -4.272 12.110) 13.318 11.126 ( -2.445 -2.481 -29.349) 29.555 11.126 ( -2.445 -2.481 29.349) 29.555 11.186 ( 0.161 -1.665 -28.730) 28.779 11.186 ( 0.161 -1.665 28.730) 28.779 11.811 ( -3.927 -2.520 -7.801) 9.090 11.811 ( -3.927 -2.520 7.801) 9.090 11.852 ( -3.944 -3.039 -11.271) 12.321 11.852 ( -3.944 -3.039 11.271) 12.321 12.048 ( -4.989 -1.497 -7.686) 9.285 12.048 ( -4.989 -1.497 7.686) 9.285 12.234 ( -1.580 -5.705 -4.414) 7.384 12.234 ( -1.580 -5.705 4.414) 7.384 13.192 ( 2.935 8.850 -9.006) 12.963 13.192 ( 2.935 8.850 9.006) 12.963 13.411 ( 7.728 3.344 -11.135) 13.961 13.411 ( 7.728 3.344 11.135) 13.961 13.695 ( 0.488 -0.542 -10.766) 10.791 13.695 ( 0.488 -0.542 10.766) 10.791 14.373 ( 4.453 3.011 -5.536) 7.716 14.373 ( 4.453 3.011 5.536) 7.716 15.019 ( -8.009 -8.115 -2.947) 11.777 15.019 ( -8.009 -8.115 2.947) 11.777 15.161 ( -6.535 -5.390 -2.650) 8.876 15.161 ( -6.535 -5.390 2.650) 8.876 15.508 ( 5.198 4.837 -6.829) 9.851 15.508 ( 5.198 4.837 6.829) 9.851 15.856 ( -3.170 -2.675 -4.990) 6.489 15.856 ( -3.170 -2.675 4.990) 6.489 16.110 ( -0.176 -1.746 -8.330) 8.513 16.110 ( -0.176 -1.746 8.330) 8.513 18.011 ( 2.197 5.039 -5.896) 8.061 18.011 ( 2.197 5.039 5.896) 8.061 18.174 ( 9.050 5.109 -12.488) 16.246 18.174 ( 9.050 5.109 12.488) 16.246 18.689 ( -2.360 -0.966 -3.565) 4.383 18.689 ( -2.360 -0.966 3.565) 4.383 18.916 ( 4.833 4.192 -0.970) 6.471 18.916 ( 4.833 4.192 0.970) 6.471 19.377 ( -4.125 -5.266 -10.749) 12.660 19.377 ( -4.125 -5.266 10.749) 12.660 19.674 ( -10.597 -8.890 -13.160) 19.092 19.674 ( -10.597 -8.890 13.160) 19.092 ======================= Grid point 248 (38/42) ======================= q-point: ( 0.40 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.576 ( 9.763 9.538 -6.152) 14.971 2.576 ( 9.763 9.538 6.152) 14.971 2.786 ( 3.156 1.548 -3.143) 4.716 2.786 ( 3.156 1.548 3.143) 4.716 2.873 ( 8.933 4.291 -5.610) 11.388 2.873 ( 8.933 4.291 5.610) 11.388 3.189 ( -4.903 -6.046 -2.844) 8.287 3.189 ( -4.903 -6.046 2.844) 8.287 3.267 ( -6.685 -6.466 -3.883) 10.078 3.267 ( -6.685 -6.466 3.883) 10.078 3.373 ( -6.294 -7.589 -5.492) 11.286 3.373 ( -6.294 -7.589 5.492) 11.286 4.336 ( 8.326 6.370 -0.826) 10.516 4.336 ( 8.326 6.370 0.826) 10.516 4.461 ( 8.635 8.524 -3.005) 12.500 4.461 ( 8.635 8.524 3.005) 12.500 4.592 ( -6.589 -4.097 -0.788) 7.798 4.592 ( -6.589 -4.097 0.788) 7.798 4.727 ( -3.295 -4.070 -4.016) 6.599 4.727 ( -3.295 -4.070 4.016) 6.599 4.833 ( -11.631 -4.707 -4.848) 13.452 4.833 ( -11.631 -4.707 4.848) 13.452 5.361 ( 3.475 -4.046 -14.699) 15.636 5.361 ( 3.475 -4.046 14.699) 15.636 6.194 ( 19.279 21.110 -4.259) 28.904 6.194 ( 19.279 21.110 4.259) 28.904 6.592 ( -12.516 0.433 -3.224) 12.932 6.592 ( -12.516 0.433 3.224) 12.932 6.983 ( -2.955 1.387 -1.645) 3.655 6.983 ( -2.955 1.387 1.645) 3.655 7.115 ( -7.583 -4.787 -5.174) 10.353 7.115 ( -7.583 -4.787 5.174) 10.353 7.609 ( -0.362 -2.195 -6.755) 7.112 7.609 ( -0.362 -2.195 6.755) 7.112 8.096 ( 5.793 -7.691 -5.665) 11.171 8.096 ( 5.793 -7.691 5.665) 11.171 9.139 ( 4.091 6.070 -6.949) 10.093 9.139 ( 4.091 6.070 6.949) 10.093 9.428 ( 2.766 1.975 -8.672) 9.314 9.428 ( 2.766 1.975 8.672) 9.314 9.793 ( -5.465 -0.464 -15.720) 16.650 9.793 ( -5.465 -0.464 15.720) 16.650 9.916 ( -4.601 3.814 -1.600) 6.187 9.916 ( -4.601 3.814 1.600) 6.187 10.402 ( 1.936 -0.645 -6.837) 7.135 10.402 ( 1.936 -0.645 6.837) 7.135 10.535 ( 1.734 -4.706 -12.724) 13.677 10.535 ( 1.734 -4.706 12.724) 13.677 11.101 ( 1.676 -0.099 -34.147) 34.188 11.101 ( 1.676 -0.099 34.147) 34.188 11.156 ( -1.568 -2.808 -35.291) 35.437 11.156 ( -1.568 -2.808 35.291) 35.437 11.700 ( -2.894 -1.104 -4.114) 5.150 11.700 ( -2.894 -1.104 4.114) 5.150 11.787 ( -3.326 -0.064 -11.498) 11.970 11.787 ( -3.326 -0.064 11.498) 11.970 12.013 ( 0.773 -0.995 -9.414) 9.497 12.013 ( 0.773 -0.995 9.414) 9.497 12.167 ( 0.068 -4.403 -7.690) 8.861 12.167 ( 0.068 -4.403 7.690) 8.861 13.310 ( 1.790 5.855 -9.353) 11.178 13.310 ( 1.790 5.855 9.353) 11.178 13.460 ( -2.372 1.029 -11.842) 12.121 13.460 ( -2.372 1.029 11.842) 12.121 13.774 ( 5.250 0.391 -16.399) 17.223 13.774 ( 5.250 0.391 16.399) 17.223 14.492 ( 5.671 2.380 -4.132) 7.409 14.492 ( 5.671 2.380 4.132) 7.409 14.797 ( -6.951 -7.150 -1.986) 10.168 14.797 ( -6.951 -7.150 1.986) 10.168 15.034 ( -3.092 -2.257 -2.255) 4.443 15.034 ( -3.092 -2.257 2.255) 4.443 15.625 ( 2.572 3.831 -2.234) 5.127 15.625 ( 2.572 3.831 2.234) 5.127 15.784 ( -1.874 -2.421 -10.297) 10.742 15.784 ( -1.874 -2.421 10.297) 10.742 16.090 ( 0.377 -2.053 -8.928) 9.169 16.090 ( 0.377 -2.053 8.928) 9.169 18.068 ( -0.381 3.572 -5.983) 6.978 18.068 ( -0.381 3.572 5.983) 6.978 18.388 ( 10.275 4.332 -13.796) 17.739 18.388 ( 10.275 4.332 13.796) 17.739 18.584 ( -6.547 -5.158 -9.946) 12.977 18.584 ( -6.547 -5.158 9.946) 12.977 19.009 ( 1.165 2.686 -3.137) 4.291 19.009 ( 1.165 2.686 3.137) 4.291 19.326 ( 2.696 0.092 -7.174) 7.665 19.326 ( 2.696 0.092 7.174) 7.665 19.453 ( -7.496 -5.525 -5.656) 10.896 19.453 ( -7.496 -5.525 5.656) 10.896 ======================= Grid point 264 (39/42) ======================= q-point: ( 0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.238 ( 10.279 17.803 -13.387) 24.532 2.238 ( 10.279 17.803 13.387) 24.532 2.323 ( 8.377 14.509 -15.476) 22.808 2.323 ( 8.377 14.509 15.476) 22.808 2.890 ( 0.432 0.748 -1.274) 1.539 2.890 ( 0.432 0.748 1.274) 1.539 3.235 ( -0.706 -1.223 -1.499) 2.060 3.235 ( -0.706 -1.223 1.499) 2.060 3.607 ( -9.480 -16.419 -3.894) 19.355 3.607 ( -9.480 -16.419 3.894) 19.355 3.669 ( -8.413 -14.572 -5.354) 17.658 3.669 ( -8.413 -14.572 5.354) 17.658 4.077 ( 10.257 17.766 -6.590) 21.547 4.077 ( 10.257 17.766 6.590) 21.547 4.101 ( 3.943 6.829 -3.537) 8.642 4.101 ( 3.943 6.829 3.537) 8.642 4.836 ( -5.647 -9.781 -2.590) 11.587 4.836 ( -5.647 -9.781 2.590) 11.587 4.982 ( -7.032 -12.179 -2.571) 14.296 4.982 ( -7.032 -12.179 2.571) 14.296 5.181 ( 1.347 2.334 -9.894) 10.254 5.181 ( 1.347 2.334 9.894) 10.254 5.196 ( -3.535 -6.122 -9.673) 11.981 5.196 ( -3.535 -6.122 9.673) 11.981 5.549 ( 14.886 25.783 -3.803) 30.014 5.549 ( 14.886 25.783 3.803) 30.014 6.670 ( 1.548 2.681 -6.373) 7.085 6.670 ( 1.548 2.681 6.373) 7.085 7.151 ( -2.952 -5.114 -9.276) 10.996 7.151 ( -2.952 -5.114 9.276) 10.996 7.384 ( -2.217 -3.840 -8.213) 9.334 7.384 ( -2.217 -3.840 8.213) 9.334 7.720 ( -3.012 -5.218 -4.710) 7.647 7.720 ( -3.012 -5.218 4.710) 7.647 7.920 ( -1.674 -2.899 -5.154) 6.146 7.920 ( -1.674 -2.899 5.154) 6.146 8.926 ( 6.240 10.808 -1.505) 12.571 8.926 ( 6.240 10.808 1.505) 12.571 9.321 ( 2.648 4.586 -3.541) 6.370 9.321 ( 2.648 4.586 3.541) 6.370 9.967 ( -2.801 -4.852 -11.120) 12.452 9.967 ( -2.801 -4.852 11.120) 12.452 10.026 ( 1.715 2.971 -4.192) 5.417 10.026 ( 1.715 2.971 4.192) 5.417 10.408 ( -2.580 -4.468 -9.838) 11.108 10.408 ( -2.580 -4.468 9.838) 11.108 10.440 ( -0.135 -0.234 -3.670) 3.680 10.440 ( -0.135 -0.234 3.670) 3.680 11.146 ( -2.457 -4.256 -32.434) 32.805 11.146 ( -2.457 -4.256 32.434) 32.805 11.162 ( -0.011 -0.018 -27.674) 27.674 11.162 ( -0.011 -0.018 27.674) 27.674 11.824 ( 0.630 1.092 -14.136) 14.192 11.824 ( 0.630 1.092 14.136) 14.192 11.875 ( -4.631 -8.022 -8.360) 12.477 11.875 ( -4.631 -8.022 8.360) 12.477 12.119 ( -3.233 -5.600 -8.667) 10.813 12.119 ( -3.233 -5.600 8.667) 10.813 12.192 ( -3.118 -5.401 -10.312) 12.052 12.192 ( -3.118 -5.401 10.312) 12.052 13.253 ( 6.104 10.572 -14.814) 19.196 13.253 ( 6.104 10.572 14.814) 19.196 13.314 ( 3.514 6.086 -7.383) 10.193 13.314 ( 3.514 6.086 7.383) 10.193 13.693 ( -1.067 -1.848 -10.551) 10.765 13.693 ( -1.067 -1.848 10.551) 10.765 14.349 ( 2.099 3.635 -6.698) 7.905 14.349 ( 2.099 3.635 6.698) 7.905 15.046 ( -5.358 -9.281 -2.472) 10.998 15.046 ( -5.358 -9.281 2.472) 10.998 15.194 ( -4.291 -7.433 -2.727) 9.006 15.194 ( -4.291 -7.433 2.727) 9.006 15.485 ( 3.595 6.228 -9.430) 11.859 15.485 ( 3.595 6.228 9.430) 11.859 15.873 ( -2.063 -3.573 -4.940) 6.436 15.873 ( -2.063 -3.573 4.940) 6.436 16.100 ( -0.943 -1.633 -7.551) 7.783 16.100 ( -0.943 -1.633 7.551) 7.783 18.028 ( 3.883 6.726 -9.072) 11.942 18.028 ( 3.883 6.726 9.072) 11.942 18.109 ( 3.631 6.289 -10.693) 12.926 18.109 ( 3.631 6.289 10.693) 12.926 18.707 ( -0.797 -1.380 -3.212) 3.585 18.707 ( -0.797 -1.380 3.212) 3.585 18.893 ( 3.458 5.989 -1.532) 7.083 18.893 ( 3.458 5.989 1.532) 7.083 19.385 ( -3.775 -6.539 -10.660) 13.063 19.385 ( -3.775 -6.539 10.660) 13.063 19.724 ( -7.131 -12.351 -13.923) 19.931 19.724 ( -7.131 -12.351 13.923) 19.931 ======================= Grid point 266 (40/42) ======================= q-point: ( 0.30 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.542 ( 7.166 13.794 -7.638) 17.319 2.542 ( 7.166 13.794 7.638) 17.319 2.633 ( 13.378 8.738 -9.865) 18.779 2.633 ( 13.378 8.738 9.865) 18.779 2.889 ( -1.485 0.371 -3.112) 3.468 2.889 ( -1.485 0.371 3.112) 3.468 3.194 ( -1.637 -2.910 -0.732) 3.419 3.194 ( -1.637 -2.910 0.732) 3.419 3.297 ( -8.303 -13.188 -6.316) 16.815 3.297 ( -8.303 -13.188 6.316) 16.815 3.403 ( -7.332 -10.834 -6.625) 14.664 3.403 ( -7.332 -10.834 6.625) 14.664 4.257 ( 6.690 5.935 -2.439) 9.270 4.257 ( 6.690 5.935 2.439) 9.270 4.418 ( 9.783 15.114 -2.745) 18.212 4.418 ( 9.783 15.114 2.745) 18.212 4.661 ( -5.901 -5.766 -2.442) 8.604 4.661 ( -5.901 -5.766 2.442) 8.604 4.737 ( -6.189 -10.316 -2.568) 12.301 4.737 ( -6.189 -10.316 2.568) 12.301 5.013 ( -11.991 -1.092 -11.265) 16.488 5.013 ( -11.991 -1.092 11.265) 16.488 5.223 ( 5.680 -7.175 -13.744) 16.512 5.223 ( 5.680 -7.175 13.744) 16.512 6.116 ( 17.849 27.074 -6.869) 33.147 6.116 ( 17.849 27.074 6.869) 33.147 6.734 ( -0.505 5.611 -5.332) 7.757 6.734 ( -0.505 5.611 5.332) 7.757 7.043 ( -4.030 -3.559 -8.669) 10.201 7.043 ( -4.030 -3.559 8.669) 10.201 7.254 ( -10.580 -2.235 -5.736) 12.240 7.254 ( -10.580 -2.235 5.736) 12.240 7.595 ( -2.789 -5.897 -6.221) 9.014 7.595 ( -2.789 -5.897 6.221) 9.014 7.894 ( 5.119 -9.160 -5.305) 11.758 7.894 ( 5.119 -9.160 5.305) 11.758 9.131 ( 5.580 9.217 -4.555) 11.698 9.131 ( 5.580 9.217 4.555) 11.698 9.407 ( 2.257 2.750 -7.311) 8.131 9.407 ( 2.257 2.750 7.311) 8.131 9.872 ( -4.029 -1.746 -13.515) 14.210 9.872 ( -4.029 -1.746 13.515) 14.210 10.059 ( -4.368 6.460 -3.099) 8.391 10.059 ( -4.368 6.460 3.099) 8.391 10.340 ( 2.309 -4.365 -3.156) 5.861 10.340 ( 2.309 -4.365 3.156) 5.861 10.444 ( 1.818 -3.825 -6.156) 7.472 10.444 ( 1.818 -3.825 6.156) 7.472 11.092 ( -0.882 -0.822 -34.480) 34.501 11.092 ( -0.882 -0.822 34.480) 34.501 11.143 ( -0.589 -2.811 -33.736) 33.859 11.143 ( -0.589 -2.811 33.736) 33.859 11.744 ( -3.664 -2.629 -8.036) 9.215 11.744 ( -3.664 -2.629 8.036) 9.215 11.829 ( -1.094 -0.419 -22.905) 22.935 11.829 ( -1.094 -0.419 22.905) 22.935 12.015 ( -3.369 -1.977 -11.685) 12.321 12.015 ( -3.369 -1.977 11.685) 12.321 12.104 ( 0.089 -7.182 -8.960) 11.483 12.104 ( 0.089 -7.182 8.960) 11.483 13.373 ( -0.701 8.427 -11.822) 14.534 13.373 ( -0.701 8.427 11.822) 14.534 13.467 ( 4.948 3.019 -14.244) 15.378 13.467 ( 4.948 3.019 14.244) 15.378 13.698 ( 2.830 0.616 -12.744) 13.069 13.698 ( 2.830 0.616 12.744) 13.069 14.431 ( 3.933 3.020 -5.841) 7.662 14.431 ( 3.933 3.020 5.841) 7.662 14.833 ( -7.060 -10.247 -1.483) 12.531 14.833 ( -7.060 -10.247 1.483) 12.531 15.063 ( -3.664 -4.349 -1.459) 5.871 15.063 ( -3.664 -4.349 1.459) 5.871 15.613 ( 3.868 5.497 -8.000) 10.449 15.613 ( 3.868 5.497 8.000) 10.449 15.800 ( -2.619 -2.808 -6.431) 7.490 15.800 ( -2.619 -2.808 6.431) 7.490 16.062 ( -0.455 -2.977 -7.634) 8.207 16.062 ( -0.455 -2.977 7.634) 8.207 18.129 ( -0.369 7.022 -9.844) 12.098 18.129 ( -0.369 7.022 9.844) 12.098 18.259 ( 8.649 3.391 -13.521) 16.405 18.259 ( 8.649 3.391 13.521) 16.405 18.627 ( -4.706 -5.847 -8.991) 11.712 18.627 ( -4.706 -5.847 8.991) 11.712 19.016 ( 3.174 6.094 -0.402) 6.882 19.016 ( 3.174 6.094 0.402) 6.882 19.290 ( -0.385 -2.908 -9.320) 9.770 19.290 ( -0.385 -2.908 9.320) 9.770 19.512 ( -6.630 -7.898 -5.534) 11.703 19.512 ( -6.630 -7.898 5.534) 11.703 ======================= Grid point 268 (41/42) ======================= q-point: ( 0.40 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.711 ( -1.977 3.423 -5.388) 6.683 2.711 ( -1.977 3.423 5.388) 6.683 2.807 ( -1.024 1.774 -4.777) 5.198 2.807 ( -1.024 1.774 4.777) 5.198 2.921 ( 1.975 -3.421 -7.778) 8.724 2.921 ( 1.975 -3.421 7.778) 8.724 3.038 ( 0.533 -0.923 -8.178) 8.247 3.038 ( 0.533 -0.923 8.178) 8.247 3.238 ( 3.158 -5.471 -8.096) 10.269 3.238 ( 3.158 -5.471 8.096) 10.269 3.239 ( 0.477 -0.827 -2.331) 2.519 3.239 ( 0.477 -0.827 2.331) 2.519 4.404 ( 0.748 -1.295 -1.548) 2.152 4.404 ( 0.748 -1.295 1.548) 2.152 4.502 ( -0.447 0.774 -2.097) 2.280 4.502 ( -0.447 0.774 2.097) 2.280 4.617 ( 0.221 -0.383 -3.724) 3.750 4.617 ( 0.221 -0.383 3.724) 3.750 4.688 ( -1.643 2.845 -6.684) 7.447 4.688 ( -1.643 2.845 6.684) 7.447 4.826 ( -2.869 4.969 -7.390) 9.356 4.826 ( -2.869 4.969 7.390) 9.356 5.237 ( 4.811 -8.333 -14.359) 17.285 5.237 ( 4.811 -8.333 14.359) 17.285 6.576 ( -5.459 9.455 -8.011) 13.542 6.576 ( -5.459 9.455 8.011) 13.542 6.634 ( -5.749 9.958 -7.760) 13.872 6.634 ( -5.749 9.958 7.760) 13.872 7.018 ( 1.993 -3.451 -10.052) 10.813 7.018 ( 1.993 -3.451 10.052) 10.813 7.075 ( -3.779 6.546 -4.854) 8.983 7.075 ( -3.779 6.546 4.854) 8.983 7.545 ( 2.910 -5.041 -6.719) 8.890 7.545 ( 2.910 -5.041 6.719) 8.890 7.896 ( 6.381 -11.052 -5.690) 13.973 7.896 ( 6.381 -11.052 5.690) 13.973 9.243 ( -2.464 4.267 -6.498) 8.154 9.243 ( -2.464 4.267 6.498) 8.154 9.434 ( 0.719 -1.246 -8.523) 8.644 9.434 ( 0.719 -1.246 8.523) 8.644 9.824 ( -1.639 2.839 -17.376) 17.683 9.824 ( -1.639 2.839 17.376) 17.683 10.040 ( -4.846 8.393 -3.387) 10.266 10.040 ( -4.846 8.393 3.387) 10.266 10.367 ( 1.739 -3.011 -5.861) 6.815 10.367 ( 1.739 -3.011 5.861) 6.815 10.427 ( 3.416 -5.917 -10.510) 12.536 10.427 ( 3.416 -5.917 10.510) 12.536 11.097 ( 0.566 -0.981 -36.482) 36.499 11.097 ( 0.566 -0.981 36.482) 36.499 11.103 ( 0.776 -1.344 -37.393) 37.425 11.103 ( 0.776 -1.344 37.393) 37.425 11.704 ( -0.740 1.281 -7.740) 7.881 11.704 ( -0.740 1.281 7.740) 7.881 11.805 ( -0.868 1.503 -21.102) 21.173 11.805 ( -0.868 1.503 21.102) 21.173 11.981 ( 1.033 -1.790 -10.903) 11.097 11.981 ( 1.033 -1.790 10.903) 11.097 12.067 ( 3.125 -5.413 -9.322) 11.223 12.067 ( 3.125 -5.413 9.322) 11.223 13.413 ( -2.730 4.729 -12.184) 13.351 13.413 ( -2.730 4.729 12.184) 13.351 13.510 ( -1.687 2.922 -14.565) 14.950 13.510 ( -1.687 2.922 14.565) 14.950 13.748 ( 1.440 -2.495 -14.892) 15.168 13.748 ( 1.440 -2.495 14.892) 15.168 14.513 ( 0.193 -0.335 -4.984) 4.999 14.513 ( 0.193 -0.335 4.984) 4.999 14.680 ( 2.310 -4.001 -1.169) 4.766 14.680 ( 2.310 -4.001 1.169) 4.766 15.007 ( 0.385 -0.666 -0.842) 1.141 15.007 ( 0.385 -0.666 0.842) 1.141 15.698 ( -1.597 2.766 -4.102) 5.199 15.698 ( -1.597 2.766 4.102) 5.199 15.742 ( 0.667 -1.156 -11.211) 11.290 15.742 ( 0.667 -1.156 11.211) 11.290 16.041 ( 1.533 -2.654 -7.433) 8.040 16.041 ( 1.533 -2.654 7.433) 8.040 18.159 ( -3.291 5.699 -10.121) 12.072 18.159 ( -3.291 5.699 10.121) 12.072 18.451 ( 1.741 -3.016 -12.501) 12.977 18.451 ( 1.741 -3.016 12.501) 12.977 18.453 ( 1.533 -2.656 -15.126) 15.434 18.453 ( 1.534 -2.656 15.126) 15.434 19.078 ( -2.500 4.331 -2.569) 5.622 19.078 ( -2.500 4.331 2.569) 5.622 19.336 ( 1.847 -3.199 -4.905) 6.140 19.336 ( 1.847 -3.199 4.905) 6.140 19.354 ( 0.578 -1.001 -5.418) 5.540 19.354 ( 0.578 -1.001 5.418) 5.540 ======================= Grid point 288 (42/42) ======================= q-point: ( 0.30 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.754 ( 3.694 6.399 -6.209) 9.651 2.754 ( 3.694 6.399 6.209) 9.651 2.782 ( 3.582 6.205 -7.371) 10.279 2.782 ( 3.582 6.205 7.371) 10.279 2.886 ( -0.638 -1.105 -5.477) 5.624 2.886 ( -0.638 -1.105 5.477) 5.624 3.093 ( -3.105 -5.379 -8.810) 10.779 3.093 ( -3.105 -5.379 8.810) 10.779 3.137 ( -1.885 -3.265 -6.950) 7.907 3.137 ( -1.885 -3.265 6.950) 7.907 3.241 ( -2.818 -4.881 -4.097) 6.968 3.241 ( -2.818 -4.881 4.097) 6.968 4.367 ( 2.810 4.867 -2.430) 6.123 4.367 ( 2.810 4.867 2.430) 6.123 4.558 ( -3.348 -5.799 -2.731) 7.232 4.558 ( -3.348 -5.799 2.731) 7.232 4.564 ( -1.573 -2.724 -3.119) 4.430 4.564 ( -1.573 -2.724 3.119) 4.430 4.720 ( 7.414 12.842 -9.733) 17.737 4.720 ( 7.414 12.842 9.733) 17.737 4.959 ( -4.043 -7.002 -14.340) 16.462 4.959 ( -4.043 -7.002 14.340) 16.462 5.091 ( -2.100 -3.637 -11.215) 11.975 5.091 ( -2.100 -3.637 11.215) 11.975 6.607 ( 12.159 21.060 -8.997) 25.929 6.607 ( 12.159 21.060 8.997) 25.929 6.834 ( 1.290 2.234 -7.774) 8.191 6.834 ( 1.290 2.234 7.774) 8.191 6.944 ( -3.450 -5.976 -10.942) 12.937 6.944 ( -3.450 -5.976 10.942) 12.937 7.233 ( -0.048 -0.083 -7.200) 7.200 7.233 ( -0.048 -0.083 7.200) 7.200 7.422 ( -5.457 -9.452 -7.896) 13.471 7.422 ( -5.457 -9.452 7.896) 13.471 7.769 ( -1.655 -2.867 -5.478) 6.401 7.769 ( -1.655 -2.867 5.478) 6.401 9.291 ( 3.835 6.642 -6.310) 9.932 9.291 ( 3.835 6.642 6.310) 9.932 9.411 ( -1.409 -2.441 -7.715) 8.214 9.411 ( -1.409 -2.441 7.715) 8.214 9.860 ( 0.116 0.201 -18.454) 18.455 9.860 ( 0.116 0.201 18.454) 18.455 10.191 ( 2.732 4.732 -5.936) 8.068 10.191 ( 2.732 4.732 5.936) 8.068 10.271 ( 0.103 0.179 -5.807) 5.811 10.271 ( 0.103 0.179 5.807) 5.811 10.366 ( -2.943 -5.097 -5.588) 8.116 10.366 ( -2.943 -5.097 5.588) 8.116 11.083 ( -0.087 -0.151 -37.273) 37.273 11.083 ( -0.087 -0.151 37.273) 37.273 11.094 ( -0.930 -1.611 -36.925) 36.972 11.094 ( -0.930 -1.611 36.925) 36.972 11.726 ( 0.193 0.334 -10.533) 10.541 11.726 ( 0.193 0.334 10.533) 10.541 11.823 ( -0.123 -0.213 -28.977) 28.978 11.823 ( -0.123 -0.213 28.977) 28.978 11.979 ( -1.113 -1.927 -11.750) 11.959 11.979 ( -1.113 -1.927 11.750) 11.959 11.982 ( -2.027 -3.511 -12.634) 13.268 11.982 ( -2.027 -3.511 12.634) 13.268 13.483 ( 1.773 3.071 -13.961) 14.404 13.483 ( 1.773 3.071 13.961) 14.404 13.525 ( 0.860 1.490 -17.504) 17.589 13.525 ( 0.860 1.490 17.504) 17.589 13.717 ( 0.632 1.095 -15.169) 15.221 13.717 ( 0.632 1.095 15.169) 15.221 14.501 ( 2.519 4.363 -5.221) 7.255 14.501 ( 2.519 4.363 5.221) 7.255 14.645 ( -4.688 -8.120 -2.317) 9.658 14.645 ( -4.688 -8.120 2.317) 9.658 15.002 ( -0.985 -1.706 -0.847) 2.144 15.002 ( -0.985 -1.706 0.847) 2.144 15.706 ( 2.057 3.563 -8.843) 9.754 15.706 ( 2.057 3.563 8.843) 9.754 15.754 ( -1.121 -1.941 -7.348) 7.682 15.754 ( -1.121 -1.941 7.348) 7.682 16.008 ( -1.098 -1.903 -6.327) 6.697 16.008 ( -1.098 -1.903 6.327) 6.697 18.271 ( 3.140 5.439 -11.705) 13.284 18.271 ( 3.140 5.439 11.705) 13.284 18.316 ( 2.498 4.327 -14.925) 15.739 18.316 ( 2.498 4.327 14.925) 15.739 18.474 ( -5.193 -8.995 -13.887) 17.342 18.474 ( -5.193 -8.995 13.887) 17.342 19.145 ( 3.600 6.235 -1.714) 7.400 19.145 ( 3.600 6.235 1.714) 7.400 19.261 ( -0.386 -0.668 -4.460) 4.526 19.261 ( -0.386 -0.668 4.460) 4.526 19.366 ( -3.648 -6.319 -3.368) 8.037 19.366 ( -3.648 -6.319 3.368) 8.037 =================== 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 3/36000 10.0 13289.236 13289.236 6391.469 0.000 -0.000 0.000 3/36000 20.0 4103.845 4103.845 3957.321 0.000 -0.000 0.000 3/36000 30.0 1299.440 1299.440 1343.556 0.000 -0.000 0.000 3/36000 40.0 592.554 592.554 622.845 0.000 -0.000 0.000 3/36000 50.0 340.787 340.787 358.878 0.000 -0.000 0.000 3/36000 60.0 223.892 223.892 234.848 0.000 -0.000 0.000 3/36000 70.0 159.721 159.721 166.579 0.000 -0.000 0.000 3/36000 80.0 120.490 120.490 124.926 0.000 -0.000 0.000 3/36000 90.0 94.702 94.702 97.654 0.000 -0.000 0.000 3/36000 100.0 76.842 76.842 78.854 0.000 -0.000 0.000 3/36000 110.0 63.966 63.966 65.366 0.000 -0.000 0.000 3/36000 120.0 54.380 54.380 55.371 -0.000 -0.000 0.000 3/36000 130.0 47.048 47.048 47.759 -0.000 -0.000 0.000 3/36000 140.0 41.308 41.308 41.826 -0.000 -0.000 0.000 3/36000 150.0 36.726 36.726 37.107 -0.000 -0.000 0.000 3/36000 160.0 33.004 33.004 33.286 -0.000 -0.000 0.000 3/36000 170.0 29.933 29.933 30.143 -0.000 -0.000 0.000 3/36000 180.0 27.365 27.365 27.522 -0.000 -0.000 0.000 3/36000 190.0 25.191 25.191 25.310 -0.000 -0.000 0.000 3/36000 200.0 23.332 23.332 23.421 -0.000 -0.000 0.000 3/36000 210.0 21.725 21.725 21.792 -0.000 -0.000 0.000 3/36000 220.0 20.325 20.325 20.375 -0.000 -0.000 0.000 3/36000 230.0 19.095 19.095 19.132 -0.000 -0.000 0.000 3/36000 240.0 18.006 18.006 18.033 -0.000 -0.000 0.000 3/36000 250.0 17.037 17.037 17.056 -0.000 -0.000 0.000 3/36000 260.0 16.168 16.168 16.182 -0.000 -0.000 0.000 3/36000 270.0 15.386 15.386 15.395 -0.000 -0.000 0.000 3/36000 280.0 14.677 14.677 14.683 -0.000 -0.000 0.000 3/36000 290.0 14.033 14.033 14.036 -0.000 -0.000 0.000 3/36000 300.0 13.445 13.445 13.445 -0.000 -0.000 0.000 3/36000 310.0 12.905 12.905 12.904 -0.000 -0.000 0.000 3/36000 320.0 12.408 12.408 12.406 -0.000 -0.000 0.000 3/36000 330.0 11.950 11.950 11.947 -0.000 -0.000 0.000 3/36000 340.0 11.525 11.525 11.521 -0.000 -0.000 0.000 3/36000 350.0 11.131 11.131 11.126 -0.000 -0.000 0.000 3/36000 360.0 10.763 10.763 10.759 -0.000 -0.000 0.000 3/36000 370.0 10.420 10.420 10.415 -0.000 -0.000 0.000 3/36000 380.0 10.099 10.099 10.094 -0.000 -0.000 0.000 3/36000 390.0 9.798 9.798 9.793 -0.000 -0.000 0.000 3/36000 400.0 9.515 9.515 9.510 -0.000 -0.000 0.000 3/36000 410.0 9.248 9.248 9.243 -0.000 -0.000 0.000 3/36000 420.0 8.996 8.996 8.991 -0.000 -0.000 0.000 3/36000 430.0 8.759 8.759 8.754 -0.000 -0.000 0.000 3/36000 440.0 8.534 8.534 8.529 -0.000 -0.000 0.000 3/36000 450.0 8.320 8.320 8.315 -0.000 -0.000 0.000 3/36000 460.0 8.117 8.117 8.113 -0.000 -0.000 0.000 3/36000 470.0 7.925 7.925 7.920 -0.000 -0.000 0.000 3/36000 480.0 7.741 7.741 7.737 -0.000 -0.000 0.000 3/36000 490.0 7.566 7.566 7.562 -0.000 -0.000 0.000 3/36000 500.0 7.400 7.400 7.395 -0.000 -0.000 0.000 3/36000 510.0 7.240 7.240 7.236 -0.000 -0.000 0.000 3/36000 520.0 7.087 7.087 7.084 -0.000 -0.000 0.000 3/36000 530.0 6.941 6.941 6.938 -0.000 -0.000 0.000 3/36000 540.0 6.801 6.801 6.798 -0.000 -0.000 0.000 3/36000 550.0 6.667 6.667 6.664 -0.000 -0.000 0.000 3/36000 560.0 6.538 6.538 6.535 -0.000 -0.000 0.000 3/36000 570.0 6.414 6.414 6.411 -0.000 -0.000 0.000 3/36000 580.0 6.295 6.295 6.292 -0.000 -0.000 0.000 3/36000 590.0 6.180 6.180 6.177 -0.000 -0.000 0.000 3/36000 600.0 6.070 6.070 6.067 -0.000 -0.000 0.000 3/36000 610.0 5.963 5.963 5.961 -0.000 -0.000 0.000 3/36000 620.0 5.861 5.861 5.858 -0.000 -0.000 0.000 3/36000 630.0 5.762 5.762 5.759 -0.000 -0.000 0.000 3/36000 640.0 5.666 5.666 5.663 -0.000 -0.000 0.000 3/36000 650.0 5.573 5.573 5.571 -0.000 -0.000 0.000 3/36000 660.0 5.484 5.484 5.481 -0.000 -0.000 0.000 3/36000 670.0 5.397 5.397 5.395 -0.000 -0.000 0.000 3/36000 680.0 5.313 5.313 5.311 -0.000 -0.000 0.000 3/36000 690.0 5.232 5.232 5.230 -0.000 -0.000 0.000 3/36000 700.0 5.153 5.153 5.151 -0.000 -0.000 0.000 3/36000 710.0 5.077 5.077 5.075 -0.000 -0.000 0.000 3/36000 720.0 5.003 5.003 5.001 -0.000 -0.000 0.000 3/36000 730.0 4.931 4.931 4.929 -0.000 -0.000 0.000 3/36000 740.0 4.861 4.861 4.859 -0.000 -0.000 0.000 3/36000 750.0 4.793 4.793 4.791 -0.000 -0.000 0.000 3/36000 760.0 4.727 4.727 4.725 -0.000 -0.000 0.000 3/36000 770.0 4.663 4.663 4.661 -0.000 -0.000 0.000 3/36000 780.0 4.600 4.600 4.599 -0.000 -0.000 0.000 3/36000 790.0 4.540 4.540 4.538 -0.000 -0.000 0.000 3/36000 800.0 4.481 4.481 4.479 -0.000 -0.000 0.000 3/36000 810.0 4.423 4.423 4.422 -0.000 -0.000 0.000 3/36000 820.0 4.367 4.367 4.366 -0.000 -0.000 0.000 3/36000 830.0 4.312 4.312 4.311 -0.000 -0.000 0.000 3/36000 840.0 4.259 4.259 4.258 -0.000 -0.000 0.000 3/36000 850.0 4.207 4.207 4.206 -0.000 -0.000 0.000 3/36000 860.0 4.157 4.157 4.155 -0.000 -0.000 0.000 3/36000 870.0 4.107 4.107 4.106 -0.000 -0.000 0.000 3/36000 880.0 4.059 4.059 4.057 -0.000 -0.000 0.000 3/36000 890.0 4.012 4.012 4.010 -0.000 -0.000 0.000 3/36000 900.0 3.966 3.966 3.964 -0.000 -0.000 0.000 3/36000 910.0 3.921 3.921 3.919 -0.000 -0.000 0.000 3/36000 920.0 3.877 3.877 3.876 -0.000 -0.000 0.000 3/36000 930.0 3.834 3.834 3.833 -0.000 -0.000 0.000 3/36000 940.0 3.792 3.792 3.791 -0.000 -0.000 0.000 3/36000 950.0 3.751 3.751 3.750 -0.000 -0.000 0.000 3/36000 960.0 3.710 3.710 3.709 -0.000 -0.000 0.000 3/36000 970.0 3.671 3.671 3.670 -0.000 -0.000 0.000 3/36000 980.0 3.633 3.633 3.632 -0.000 -0.000 0.000 3/36000 990.0 3.595 3.595 3.594 -0.000 -0.000 0.000 3/36000 1000.0 3.558 3.558 3.557 -0.000 -0.000 0.000 3/36000 Thermal conductivity related properties were written into "kappa-m10104.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 01:05:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|