----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:05:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbam (55) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.317103060000001 0.000000000000000 0.000000000000000 b 0.000000000000000 8.296634200000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.735534539999999 Atomic positions (fractional): *1 O 0.84432587709714 0.07343281004053 0.00000000000000 15.999 2 O 0.15567412290286 0.92656718995947 0.00000000000000 15.999 3 O 0.34432587709714 0.42656718995947 0.00000000000000 15.999 4 O 0.65567412290286 0.57343281004053 0.00000000000000 15.999 *5 O 0.34110075607467 0.44430732732714 0.50000000000000 15.999 6 O 0.65889924392533 0.55569267267286 0.50000000000000 15.999 7 O 0.84110075607467 0.05569267267286 0.50000000000000 15.999 8 O 0.15889924392533 0.94430732732714 0.50000000000000 15.999 *9 O 0.50000000000000 0.00000000000000 0.20952335282014 15.999 10 O 0.00000000000000 0.50000000000000 0.79047664717986 15.999 11 O 0.50000000000000 0.00000000000000 0.79047664717986 15.999 12 O 0.00000000000000 0.50000000000000 0.20952335282014 15.999 *13 O 0.10687157873298 0.20778719524193 0.24225356244162 15.999 14 O 0.89312842126702 0.79221280475807 0.24225356244162 15.999 15 O 0.60687157873298 0.29221280475807 0.75774643755838 15.999 16 O 0.39312842126702 0.70778719524193 0.75774643755838 15.999 17 O 0.89312842126702 0.79221280475807 0.75774643755838 15.999 18 O 0.10687157873298 0.20778719524193 0.75774643755838 15.999 19 O 0.39312842126702 0.70778719524193 0.24225356244162 15.999 20 O 0.60687157873298 0.29221280475807 0.24225356244162 15.999 *21 Ca 0.36514318674118 0.16634269018619 0.50000000000000 40.078 22 Ca 0.63485681325882 0.83365730981381 0.50000000000000 40.078 23 Ca 0.86514318674118 0.33365730981381 0.50000000000000 40.078 24 Ca 0.13485681325882 0.66634269018619 0.50000000000000 40.078 *25 Ge 0.60837094504355 0.14640573515182 0.00000000000000 72.640 26 Ge 0.39162905495645 0.85359426484818 0.00000000000000 72.640 27 Ge 0.10837094504355 0.35359426484818 0.00000000000000 72.640 28 Ge 0.89162905495645 0.64640573515182 0.00000000000000 72.640 *29 Ge 0.50000000000000 0.50000000000000 0.25387903569788 72.640 30 Ge 0.00000000000000 0.00000000000000 0.74612096430212 72.640 31 Ge 0.50000000000000 0.50000000000000 0.74612096430212 72.640 32 Ge 0.00000000000000 0.00000000000000 0.25387903569788 72.640 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.317103060000001 0.000000000000000 0.000000000000000 b 0.000000000000000 8.296634200000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.735534539999999 Atomic positions (fractional): *1 O 0.84432587709714 0.07343281004053 0.00000000000000 15.999 > 1 2 O 0.15567412290286 0.92656718995947 0.00000000000000 15.999 > 2 3 O 0.34432587709714 0.42656718995947 0.00000000000000 15.999 > 3 4 O 0.65567412290286 0.57343281004053 0.00000000000000 15.999 > 4 *5 O 0.34110075607467 0.44430732732714 0.50000000000000 15.999 > 5 6 O 0.65889924392533 0.55569267267286 0.50000000000000 15.999 > 6 7 O 0.84110075607467 0.05569267267286 0.50000000000000 15.999 > 7 8 O 0.15889924392533 0.94430732732714 0.50000000000000 15.999 > 8 *9 O 0.50000000000000 0.00000000000000 0.20952335282014 15.999 > 9 10 O 0.00000000000000 0.50000000000000 0.79047664717986 15.999 > 10 11 O 0.50000000000000 0.00000000000000 0.79047664717986 15.999 > 11 12 O 0.00000000000000 0.50000000000000 0.20952335282014 15.999 > 12 *13 O 0.10687157873298 0.20778719524193 0.24225356244162 15.999 > 13 14 O 0.89312842126702 0.79221280475807 0.24225356244162 15.999 > 14 15 O 0.60687157873298 0.29221280475807 0.75774643755838 15.999 > 15 16 O 0.39312842126702 0.70778719524193 0.75774643755838 15.999 > 16 17 O 0.89312842126702 0.79221280475807 0.75774643755838 15.999 > 17 18 O 0.10687157873298 0.20778719524193 0.75774643755838 15.999 > 18 19 O 0.39312842126702 0.70778719524193 0.24225356244162 15.999 > 19 20 O 0.60687157873298 0.29221280475807 0.24225356244162 15.999 > 20 *21 Ca 0.36514318674118 0.16634269018619 0.50000000000000 40.078 > 21 22 Ca 0.63485681325882 0.83365730981381 0.50000000000000 40.078 > 22 23 Ca 0.86514318674118 0.33365730981381 0.50000000000000 40.078 > 23 24 Ca 0.13485681325882 0.66634269018619 0.50000000000000 40.078 > 24 *25 Ge 0.60837094504355 0.14640573515182 0.00000000000000 72.640 > 25 26 Ge 0.39162905495645 0.85359426484818 0.00000000000000 72.640 > 26 27 Ge 0.10837094504355 0.35359426484818 0.00000000000000 72.640 > 27 28 Ge 0.89162905495645 0.64640573515182 0.00000000000000 72.640 > 28 *29 Ge 0.50000000000000 0.50000000000000 0.25387903569788 72.640 > 29 30 Ge 0.00000000000000 0.00000000000000 0.74612096430212 72.640 > 30 31 Ge 0.50000000000000 0.50000000000000 0.74612096430212 72.640 > 31 32 Ge 0.00000000000000 0.00000000000000 0.25387903569788 72.640 > 32 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.634206120000002 0.000000000000000 0.000000000000000 b 0.000000000000000 8.296634200000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.471069079999998 Atomic positions (fractional): *1 O 0.42216293854857 0.07343281004053 0.00000000000000 15.999 > 1 2 O 0.92216293854857 0.07343281004053 0.00000000000000 15.999 > 1 3 O 0.42216293854857 0.07343281004053 0.50000000000000 15.999 > 1 4 O 0.92216293854857 0.07343281004053 0.50000000000000 15.999 > 1 5 O 0.07783706145143 0.92656718995947 0.00000000000000 15.999 > 2 6 O 0.57783706145143 0.92656718995947 0.00000000000000 15.999 > 2 7 O 0.07783706145143 0.92656718995947 0.50000000000000 15.999 > 2 8 O 0.57783706145143 0.92656718995947 0.50000000000000 15.999 > 2 9 O 0.17216293854857 0.42656718995947 0.00000000000000 15.999 > 3 10 O 0.67216293854857 0.42656718995947 0.00000000000000 15.999 > 3 11 O 0.17216293854857 0.42656718995947 0.50000000000000 15.999 > 3 12 O 0.67216293854857 0.42656718995947 0.50000000000000 15.999 > 3 13 O 0.32783706145143 0.57343281004053 0.00000000000000 15.999 > 4 14 O 0.82783706145143 0.57343281004053 0.00000000000000 15.999 > 4 15 O 0.32783706145143 0.57343281004053 0.50000000000000 15.999 > 4 16 O 0.82783706145143 0.57343281004053 0.50000000000000 15.999 > 4 *17 O 0.17055037803734 0.44430732732714 0.25000000000000 15.999 > 5 18 O 0.67055037803734 0.44430732732714 0.25000000000000 15.999 > 5 19 O 0.17055037803734 0.44430732732714 0.75000000000000 15.999 > 5 20 O 0.67055037803734 0.44430732732714 0.75000000000000 15.999 > 5 21 O 0.32944962196266 0.55569267267286 0.25000000000000 15.999 > 6 22 O 0.82944962196266 0.55569267267286 0.25000000000000 15.999 > 6 23 O 0.32944962196266 0.55569267267286 0.75000000000000 15.999 > 6 24 O 0.82944962196266 0.55569267267286 0.75000000000000 15.999 > 6 25 O 0.42055037803734 0.05569267267286 0.25000000000000 15.999 > 7 26 O 0.92055037803734 0.05569267267286 0.25000000000000 15.999 > 7 27 O 0.42055037803734 0.05569267267286 0.75000000000000 15.999 > 7 28 O 0.92055037803734 0.05569267267286 0.75000000000000 15.999 > 7 29 O 0.07944962196266 0.94430732732714 0.25000000000000 15.999 > 8 30 O 0.57944962196266 0.94430732732714 0.25000000000000 15.999 > 8 31 O 0.07944962196266 0.94430732732714 0.75000000000000 15.999 > 8 32 O 0.57944962196266 0.94430732732714 0.75000000000000 15.999 > 8 *33 O 0.25000000000000 0.00000000000000 0.10476167641007 15.999 > 9 34 O 0.75000000000000 0.00000000000000 0.10476167641007 15.999 > 9 35 O 0.25000000000000 0.00000000000000 0.60476167641007 15.999 > 9 36 O 0.75000000000000 0.00000000000000 0.60476167641007 15.999 > 9 37 O 0.00000000000000 0.50000000000000 0.39523832358993 15.999 > 10 38 O 0.50000000000000 0.50000000000000 0.39523832358993 15.999 > 10 39 O 0.00000000000000 0.50000000000000 0.89523832358993 15.999 > 10 40 O 0.50000000000000 0.50000000000000 0.89523832358993 15.999 > 10 41 O 0.25000000000000 0.00000000000000 0.39523832358993 15.999 > 11 42 O 0.75000000000000 0.00000000000000 0.39523832358993 15.999 > 11 43 O 0.25000000000000 0.00000000000000 0.89523832358993 15.999 > 11 44 O 0.75000000000000 0.00000000000000 0.89523832358993 15.999 > 11 45 O 0.00000000000000 0.50000000000000 0.10476167641007 15.999 > 12 46 O 0.50000000000000 0.50000000000000 0.10476167641007 15.999 > 12 47 O 0.00000000000000 0.50000000000000 0.60476167641007 15.999 > 12 48 O 0.50000000000000 0.50000000000000 0.60476167641007 15.999 > 12 *49 O 0.05343578936649 0.20778719524193 0.12112678122081 15.999 > 13 50 O 0.55343578936649 0.20778719524193 0.12112678122081 15.999 > 13 51 O 0.05343578936649 0.20778719524193 0.62112678122081 15.999 > 13 52 O 0.55343578936649 0.20778719524193 0.62112678122081 15.999 > 13 53 O 0.44656421063351 0.79221280475807 0.12112678122081 15.999 > 14 54 O 0.94656421063351 0.79221280475807 0.12112678122081 15.999 > 14 55 O 0.44656421063351 0.79221280475807 0.62112678122081 15.999 > 14 56 O 0.94656421063351 0.79221280475807 0.62112678122081 15.999 > 14 57 O 0.30343578936649 0.29221280475807 0.37887321877919 15.999 > 15 58 O 0.80343578936649 0.29221280475807 0.37887321877919 15.999 > 15 59 O 0.30343578936649 0.29221280475807 0.87887321877919 15.999 > 15 60 O 0.80343578936649 0.29221280475807 0.87887321877919 15.999 > 15 61 O 0.19656421063351 0.70778719524193 0.37887321877919 15.999 > 16 62 O 0.69656421063351 0.70778719524193 0.37887321877919 15.999 > 16 63 O 0.19656421063351 0.70778719524193 0.87887321877919 15.999 > 16 64 O 0.69656421063351 0.70778719524193 0.87887321877919 15.999 > 16 65 O 0.44656421063351 0.79221280475807 0.37887321877919 15.999 > 17 66 O 0.94656421063351 0.79221280475807 0.37887321877919 15.999 > 17 67 O 0.44656421063351 0.79221280475807 0.87887321877919 15.999 > 17 68 O 0.94656421063351 0.79221280475807 0.87887321877919 15.999 > 17 69 O 0.05343578936649 0.20778719524193 0.37887321877919 15.999 > 18 70 O 0.55343578936649 0.20778719524193 0.37887321877919 15.999 > 18 71 O 0.05343578936649 0.20778719524193 0.87887321877919 15.999 > 18 72 O 0.55343578936649 0.20778719524193 0.87887321877919 15.999 > 18 73 O 0.19656421063351 0.70778719524193 0.12112678122081 15.999 > 19 74 O 0.69656421063351 0.70778719524193 0.12112678122081 15.999 > 19 75 O 0.19656421063351 0.70778719524193 0.62112678122081 15.999 > 19 76 O 0.69656421063351 0.70778719524193 0.62112678122081 15.999 > 19 77 O 0.30343578936649 0.29221280475807 0.12112678122081 15.999 > 20 78 O 0.80343578936649 0.29221280475807 0.12112678122081 15.999 > 20 79 O 0.30343578936649 0.29221280475807 0.62112678122081 15.999 > 20 80 O 0.80343578936649 0.29221280475807 0.62112678122081 15.999 > 20 *81 Ca 0.18257159337059 0.16634269018619 0.25000000000000 40.078 > 21 82 Ca 0.68257159337059 0.16634269018619 0.25000000000000 40.078 > 21 83 Ca 0.18257159337059 0.16634269018619 0.75000000000000 40.078 > 21 84 Ca 0.68257159337059 0.16634269018619 0.75000000000000 40.078 > 21 85 Ca 0.31742840662941 0.83365730981381 0.25000000000000 40.078 > 22 86 Ca 0.81742840662941 0.83365730981381 0.25000000000000 40.078 > 22 87 Ca 0.31742840662941 0.83365730981381 0.75000000000000 40.078 > 22 88 Ca 0.81742840662941 0.83365730981381 0.75000000000000 40.078 > 22 89 Ca 0.43257159337059 0.33365730981381 0.25000000000000 40.078 > 23 90 Ca 0.93257159337059 0.33365730981381 0.25000000000000 40.078 > 23 91 Ca 0.43257159337059 0.33365730981381 0.75000000000000 40.078 > 23 92 Ca 0.93257159337059 0.33365730981381 0.75000000000000 40.078 > 23 93 Ca 0.06742840662941 0.66634269018619 0.25000000000000 40.078 > 24 94 Ca 0.56742840662941 0.66634269018619 0.25000000000000 40.078 > 24 95 Ca 0.06742840662941 0.66634269018619 0.75000000000000 40.078 > 24 96 Ca 0.56742840662941 0.66634269018619 0.75000000000000 40.078 > 24 *97 Ge 0.30418547252177 0.14640573515182 0.00000000000000 72.640 > 25 98 Ge 0.80418547252177 0.14640573515182 0.00000000000000 72.640 > 25 99 Ge 0.30418547252177 0.14640573515182 0.50000000000000 72.640 > 25 100 Ge 0.80418547252177 0.14640573515182 0.50000000000000 72.640 > 25 101 Ge 0.19581452747823 0.85359426484818 0.00000000000000 72.640 > 26 102 Ge 0.69581452747823 0.85359426484818 0.00000000000000 72.640 > 26 103 Ge 0.19581452747823 0.85359426484818 0.50000000000000 72.640 > 26 104 Ge 0.69581452747823 0.85359426484818 0.50000000000000 72.640 > 26 105 Ge 0.05418547252177 0.35359426484818 0.00000000000000 72.640 > 27 106 Ge 0.55418547252177 0.35359426484818 0.00000000000000 72.640 > 27 107 Ge 0.05418547252177 0.35359426484818 0.50000000000000 72.640 > 27 108 Ge 0.55418547252177 0.35359426484818 0.50000000000000 72.640 > 27 109 Ge 0.44581452747823 0.64640573515182 0.00000000000000 72.640 > 28 110 Ge 0.94581452747823 0.64640573515182 0.00000000000000 72.640 > 28 111 Ge 0.44581452747823 0.64640573515182 0.50000000000000 72.640 > 28 112 Ge 0.94581452747823 0.64640573515182 0.50000000000000 72.640 > 28 *113 Ge 0.25000000000000 0.50000000000000 0.12693951784894 72.640 > 29 114 Ge 0.75000000000000 0.50000000000000 0.12693951784894 72.640 > 29 115 Ge 0.25000000000000 0.50000000000000 0.62693951784894 72.640 > 29 116 Ge 0.75000000000000 0.50000000000000 0.62693951784894 72.640 > 29 117 Ge 0.00000000000000 0.00000000000000 0.37306048215106 72.640 > 30 118 Ge 0.50000000000000 0.00000000000000 0.37306048215106 72.640 > 30 119 Ge 0.00000000000000 0.00000000000000 0.87306048215106 72.640 > 30 120 Ge 0.50000000000000 0.00000000000000 0.87306048215106 72.640 > 30 121 Ge 0.25000000000000 0.50000000000000 0.37306048215106 72.640 > 31 122 Ge 0.75000000000000 0.50000000000000 0.37306048215106 72.640 > 31 123 Ge 0.25000000000000 0.50000000000000 0.87306048215106 72.640 > 31 124 Ge 0.75000000000000 0.50000000000000 0.87306048215106 72.640 > 31 125 Ge 0.00000000000000 0.00000000000000 0.12693951784894 72.640 > 32 126 Ge 0.50000000000000 0.00000000000000 0.12693951784894 72.640 > 32 127 Ge 0.00000000000000 0.00000000000000 0.62693951784894 72.640 > 32 128 Ge 0.50000000000000 0.00000000000000 0.62693951784894 72.640 > 32 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.7103171 0.0000000 0.0000000 0.0000000 4.1703805 0.0000000 0.0000000 0.0000000 4.0534485 -------------------------- Born effective charges -------------------------- 1 O -2.8335903 0.6734941 0.0000000 0.5287537 -1.6201348 0.0000000 0.0000000 0.0000000 -2.0788935 2 O -2.8335903 0.6734941 0.0000000 0.5287537 -1.6201348 0.0000000 0.0000000 0.0000000 -2.0788935 3 O -2.8335903 -0.6734941 0.0000000 -0.5287537 -1.6201348 0.0000000 0.0000000 0.0000000 -2.0788935 4 O -2.8335903 -0.6734941 0.0000000 -0.5287537 -1.6201348 0.0000000 0.0000000 0.0000000 -2.0788935 5 O -1.7256055 -0.0363329 0.0000000 0.0902262 -1.9627272 0.0000000 0.0000000 0.0000000 -2.3281938 6 O -1.7256055 -0.0363329 0.0000000 0.0902262 -1.9627272 0.0000000 0.0000000 0.0000000 -2.3281938 7 O -1.7256055 0.0363329 0.0000000 -0.0902262 -1.9627272 0.0000000 0.0000000 0.0000000 -2.3281938 8 O -1.7256055 0.0363329 0.0000000 -0.0902262 -1.9627272 0.0000000 0.0000000 0.0000000 -2.3281938 9 O -1.5974713 -0.3405439 0.0000000 -0.2770468 -2.1297288 0.0000000 0.0000000 0.0000000 -2.0116718 10 O -1.5974713 0.3405439 0.0000000 0.2770468 -2.1297288 0.0000000 0.0000000 0.0000000 -2.0116718 11 O -1.5974713 -0.3405439 0.0000000 -0.2770468 -2.1297288 0.0000000 0.0000000 0.0000000 -2.0116718 12 O -1.5974713 0.3405439 0.0000000 0.2770468 -2.1297288 0.0000000 0.0000000 0.0000000 -2.0116718 13 O -1.5761509 -0.2459673 0.0367784 -0.2686872 -2.4898911 0.4485048 0.0237430 0.5008989 -1.9862891 14 O -1.5761509 -0.2459673 -0.0367784 -0.2686872 -2.4898911 -0.4485048 -0.0237430 -0.5008989 -1.9862891 15 O -1.5761509 0.2459673 -0.0367784 0.2686872 -2.4898911 0.4485048 -0.0237430 0.5008989 -1.9862891 16 O -1.5761509 0.2459673 0.0367784 0.2686872 -2.4898911 -0.4485048 0.0237430 -0.5008989 -1.9862891 17 O -1.5761509 -0.2459673 0.0367784 -0.2686872 -2.4898911 0.4485048 0.0237430 0.5008989 -1.9862891 18 O -1.5761509 -0.2459673 -0.0367784 -0.2686872 -2.4898911 -0.4485048 -0.0237430 -0.5008989 -1.9862891 19 O -1.5761509 0.2459673 -0.0367784 0.2686872 -2.4898911 0.4485048 -0.0237430 0.5008989 -1.9862891 20 O -1.5761509 0.2459673 0.0367784 0.2686872 -2.4898911 -0.4485048 0.0237430 -0.5008989 -1.9862891 21 Ca 2.4920698 0.2269358 0.0000000 -0.0193416 2.4213499 0.0000000 0.0000000 0.0000000 2.4929975 22 Ca 2.4920698 0.2269358 0.0000000 -0.0193416 2.4213499 0.0000000 0.0000000 0.0000000 2.4929975 23 Ca 2.4920698 -0.2269358 0.0000000 0.0193416 2.4213499 0.0000000 0.0000000 0.0000000 2.4929975 24 Ca 2.4920698 -0.2269358 0.0000000 0.0193416 2.4213499 0.0000000 0.0000000 0.0000000 2.4929975 25 Ge 3.5033289 -0.0718407 0.0000000 0.1050093 4.1880103 0.0000000 0.0000000 0.0000000 3.4780790 26 Ge 3.5033289 -0.0718407 0.0000000 0.1050093 4.1880103 0.0000000 0.0000000 0.0000000 3.4780790 27 Ge 3.5033289 0.0718407 0.0000000 -0.1050093 4.1880103 0.0000000 0.0000000 0.0000000 3.4780790 28 Ge 3.5033289 0.0718407 0.0000000 -0.1050093 4.1880103 0.0000000 0.0000000 0.0000000 3.4780790 29 Ge 3.3135702 -0.0805978 0.0000000 -0.4445809 4.0830130 0.0000000 0.0000000 0.0000000 4.4202607 30 Ge 3.3135702 0.0805978 0.0000000 0.4445809 4.0830130 0.0000000 0.0000000 0.0000000 4.4202607 31 Ge 3.3135702 -0.0805978 0.0000000 -0.4445809 4.0830130 0.0000000 0.0000000 0.0000000 4.4202607 32 Ge 3.3135702 0.0805978 0.0000000 0.4445809 4.0830130 0.0000000 0.0000000 0.0000000 4.4202607 ---------------------------------------------------------------------------- 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: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2488 Number of blocks in projector: 2488 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 592 Use submatrix version of eigh solver. (1) Block: 592 / 592 (2) Block: 250 / 592 (2) 236 eigenvectors found. (2) Block: 500 / 592 (2) 236 eigenvectors found. (2) Block: 592 / 592 (2) 84 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 578 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 344 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 344 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 344 Use standard eigh solver. Tree of FC basis block matrices: - (2488, 2449), data: False |-- (344, 337), data: True |-- (344, 337), data: True |-- (344, 337), data: True |-- (432, 430), data: True |-- (432, 430), data: True |-- (592, 578), data: False |-- (592, 578), data: False |-- (592, 22), data: (592, 36) @ (36, 22) |-- (92, 84), data: True |-- (250, 236), data: True |-- (250, 236), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 480 - Time: 0.725 Solver_block: 200 / 480 - Time: 0.650 Solver_block: 300 / 480 - Time: 0.648 Solver_block: 400 / 480 - Time: 0.647 Solver_block: 480 / 480 - Time: 0.543 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.318 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2488 Number of blocks in projector: 2488 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 592 Use submatrix version of eigh solver. (1) Block: 592 / 592 (2) Block: 250 / 592 (2) 236 eigenvectors found. (2) Block: 500 / 592 (2) 236 eigenvectors found. (2) Block: 592 / 592 (2) 84 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 578 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 344 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 344 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 344 Use standard eigh solver. Tree of FC basis block matrices: - (2488, 2449), data: False |-- (344, 337), data: True |-- (344, 337), data: True |-- (344, 337), data: True |-- (432, 430), data: True |-- (432, 430), data: True |-- (592, 578), data: False |-- (592, 578), data: False |-- (592, 22), data: (592, 36) @ (36, 22) |-- (92, 84), data: True |-- (250, 236), data: True |-- (250, 236), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 20:06:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:06:02]------------------------- 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 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbam (55) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.317103060000001 0.000000000000000 0.000000000000000 b 0.000000000000000 8.296634200000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.735534539999999 Atomic positions (fractional): 1 O 0.84432587709714 0.07343281004053 0.00000000000000 15.999 2 O 0.15567412290286 0.92656718995947 0.00000000000000 15.999 3 O 0.34432587709714 0.42656718995947 0.00000000000000 15.999 4 O 0.65567412290286 0.57343281004053 0.00000000000000 15.999 5 O 0.34110075607467 0.44430732732714 0.50000000000000 15.999 6 O 0.65889924392533 0.55569267267286 0.50000000000000 15.999 7 O 0.84110075607467 0.05569267267286 0.50000000000000 15.999 8 O 0.15889924392533 0.94430732732714 0.50000000000000 15.999 9 O 0.50000000000000 0.00000000000000 0.20952335282014 15.999 10 O 0.00000000000000 0.50000000000000 0.79047664717986 15.999 11 O 0.50000000000000 0.00000000000000 0.79047664717986 15.999 12 O 0.00000000000000 0.50000000000000 0.20952335282014 15.999 13 O 0.10687157873298 0.20778719524193 0.24225356244162 15.999 14 O 0.89312842126702 0.79221280475807 0.24225356244162 15.999 15 O 0.60687157873298 0.29221280475807 0.75774643755838 15.999 16 O 0.39312842126702 0.70778719524193 0.75774643755838 15.999 17 O 0.89312842126702 0.79221280475807 0.75774643755838 15.999 18 O 0.10687157873298 0.20778719524193 0.75774643755838 15.999 19 O 0.39312842126702 0.70778719524193 0.24225356244162 15.999 20 O 0.60687157873298 0.29221280475807 0.24225356244162 15.999 21 Ca 0.36514318674118 0.16634269018619 0.50000000000000 40.078 22 Ca 0.63485681325882 0.83365730981381 0.50000000000000 40.078 23 Ca 0.86514318674118 0.33365730981381 0.50000000000000 40.078 24 Ca 0.13485681325882 0.66634269018619 0.50000000000000 40.078 25 Ge 0.60837094504355 0.14640573515182 0.00000000000000 72.640 26 Ge 0.39162905495645 0.85359426484818 0.00000000000000 72.640 27 Ge 0.10837094504355 0.35359426484818 0.00000000000000 72.640 28 Ge 0.89162905495645 0.64640573515182 0.00000000000000 72.640 29 Ge 0.50000000000000 0.50000000000000 0.25387903569788 72.640 30 Ge 0.00000000000000 0.00000000000000 0.74612096430212 72.640 31 Ge 0.50000000000000 0.50000000000000 0.74612096430212 72.640 32 Ge 0.00000000000000 0.00000000000000 0.25387903569788 72.640 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.634206120000002 0.000000000000000 0.000000000000000 b 0.000000000000000 8.296634200000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.471069079999998 Atomic positions (fractional): 1 O 0.42216293854857 0.07343281004053 0.00000000000000 15.999 > 1 2 O 0.92216293854857 0.07343281004053 0.00000000000000 15.999 > 1 3 O 0.42216293854857 0.07343281004053 0.50000000000000 15.999 > 1 4 O 0.92216293854857 0.07343281004053 0.50000000000000 15.999 > 1 5 O 0.07783706145143 0.92656718995947 0.00000000000000 15.999 > 5 6 O 0.57783706145143 0.92656718995947 0.00000000000000 15.999 > 5 7 O 0.07783706145143 0.92656718995947 0.50000000000000 15.999 > 5 8 O 0.57783706145143 0.92656718995947 0.50000000000000 15.999 > 5 9 O 0.17216293854857 0.42656718995947 0.00000000000000 15.999 > 9 10 O 0.67216293854857 0.42656718995947 0.00000000000000 15.999 > 9 11 O 0.17216293854857 0.42656718995947 0.50000000000000 15.999 > 9 12 O 0.67216293854857 0.42656718995947 0.50000000000000 15.999 > 9 13 O 0.32783706145143 0.57343281004053 0.00000000000000 15.999 > 13 14 O 0.82783706145143 0.57343281004053 0.00000000000000 15.999 > 13 15 O 0.32783706145143 0.57343281004053 0.50000000000000 15.999 > 13 16 O 0.82783706145143 0.57343281004053 0.50000000000000 15.999 > 13 17 O 0.17055037803734 0.44430732732714 0.25000000000000 15.999 > 17 18 O 0.67055037803734 0.44430732732714 0.25000000000000 15.999 > 17 19 O 0.17055037803734 0.44430732732714 0.75000000000000 15.999 > 17 20 O 0.67055037803734 0.44430732732714 0.75000000000000 15.999 > 17 21 O 0.32944962196266 0.55569267267286 0.25000000000000 15.999 > 21 22 O 0.82944962196266 0.55569267267286 0.25000000000000 15.999 > 21 23 O 0.32944962196266 0.55569267267286 0.75000000000000 15.999 > 21 24 O 0.82944962196266 0.55569267267286 0.75000000000000 15.999 > 21 25 O 0.42055037803734 0.05569267267286 0.25000000000000 15.999 > 25 26 O 0.92055037803734 0.05569267267286 0.25000000000000 15.999 > 25 27 O 0.42055037803734 0.05569267267286 0.75000000000000 15.999 > 25 28 O 0.92055037803734 0.05569267267286 0.75000000000000 15.999 > 25 29 O 0.07944962196266 0.94430732732714 0.25000000000000 15.999 > 29 30 O 0.57944962196266 0.94430732732714 0.25000000000000 15.999 > 29 31 O 0.07944962196266 0.94430732732714 0.75000000000000 15.999 > 29 32 O 0.57944962196266 0.94430732732714 0.75000000000000 15.999 > 29 33 O 0.25000000000000 0.00000000000000 0.10476167641007 15.999 > 33 34 O 0.75000000000000 0.00000000000000 0.10476167641007 15.999 > 33 35 O 0.25000000000000 0.00000000000000 0.60476167641007 15.999 > 33 36 O 0.75000000000000 0.00000000000000 0.60476167641007 15.999 > 33 37 O 0.00000000000000 0.50000000000000 0.39523832358993 15.999 > 37 38 O 0.50000000000000 0.50000000000000 0.39523832358993 15.999 > 37 39 O 0.00000000000000 0.50000000000000 0.89523832358993 15.999 > 37 40 O 0.50000000000000 0.50000000000000 0.89523832358993 15.999 > 37 41 O 0.25000000000000 0.00000000000000 0.39523832358993 15.999 > 41 42 O 0.75000000000000 0.00000000000000 0.39523832358993 15.999 > 41 43 O 0.25000000000000 0.00000000000000 0.89523832358993 15.999 > 41 44 O 0.75000000000000 0.00000000000000 0.89523832358993 15.999 > 41 45 O 0.00000000000000 0.50000000000000 0.10476167641007 15.999 > 45 46 O 0.50000000000000 0.50000000000000 0.10476167641007 15.999 > 45 47 O 0.00000000000000 0.50000000000000 0.60476167641007 15.999 > 45 48 O 0.50000000000000 0.50000000000000 0.60476167641007 15.999 > 45 49 O 0.05343578936649 0.20778719524193 0.12112678122081 15.999 > 49 50 O 0.55343578936649 0.20778719524193 0.12112678122081 15.999 > 49 51 O 0.05343578936649 0.20778719524193 0.62112678122081 15.999 > 49 52 O 0.55343578936649 0.20778719524193 0.62112678122081 15.999 > 49 53 O 0.44656421063351 0.79221280475807 0.12112678122081 15.999 > 53 54 O 0.94656421063351 0.79221280475807 0.12112678122081 15.999 > 53 55 O 0.44656421063351 0.79221280475807 0.62112678122081 15.999 > 53 56 O 0.94656421063351 0.79221280475807 0.62112678122081 15.999 > 53 57 O 0.30343578936649 0.29221280475807 0.37887321877919 15.999 > 57 58 O 0.80343578936649 0.29221280475807 0.37887321877919 15.999 > 57 59 O 0.30343578936649 0.29221280475807 0.87887321877919 15.999 > 57 60 O 0.80343578936649 0.29221280475807 0.87887321877919 15.999 > 57 61 O 0.19656421063351 0.70778719524193 0.37887321877919 15.999 > 61 62 O 0.69656421063351 0.70778719524193 0.37887321877919 15.999 > 61 63 O 0.19656421063351 0.70778719524193 0.87887321877919 15.999 > 61 64 O 0.69656421063351 0.70778719524193 0.87887321877919 15.999 > 61 65 O 0.44656421063351 0.79221280475807 0.37887321877919 15.999 > 65 66 O 0.94656421063351 0.79221280475807 0.37887321877919 15.999 > 65 67 O 0.44656421063351 0.79221280475807 0.87887321877919 15.999 > 65 68 O 0.94656421063351 0.79221280475807 0.87887321877919 15.999 > 65 69 O 0.05343578936649 0.20778719524193 0.37887321877919 15.999 > 69 70 O 0.55343578936649 0.20778719524193 0.37887321877919 15.999 > 69 71 O 0.05343578936649 0.20778719524193 0.87887321877919 15.999 > 69 72 O 0.55343578936649 0.20778719524193 0.87887321877919 15.999 > 69 73 O 0.19656421063351 0.70778719524193 0.12112678122081 15.999 > 73 74 O 0.69656421063351 0.70778719524193 0.12112678122081 15.999 > 73 75 O 0.19656421063351 0.70778719524193 0.62112678122081 15.999 > 73 76 O 0.69656421063351 0.70778719524193 0.62112678122081 15.999 > 73 77 O 0.30343578936649 0.29221280475807 0.12112678122081 15.999 > 77 78 O 0.80343578936649 0.29221280475807 0.12112678122081 15.999 > 77 79 O 0.30343578936649 0.29221280475807 0.62112678122081 15.999 > 77 80 O 0.80343578936649 0.29221280475807 0.62112678122081 15.999 > 77 81 Ca 0.18257159337059 0.16634269018619 0.25000000000000 40.078 > 81 82 Ca 0.68257159337059 0.16634269018619 0.25000000000000 40.078 > 81 83 Ca 0.18257159337059 0.16634269018619 0.75000000000000 40.078 > 81 84 Ca 0.68257159337059 0.16634269018619 0.75000000000000 40.078 > 81 85 Ca 0.31742840662941 0.83365730981381 0.25000000000000 40.078 > 85 86 Ca 0.81742840662941 0.83365730981381 0.25000000000000 40.078 > 85 87 Ca 0.31742840662941 0.83365730981381 0.75000000000000 40.078 > 85 88 Ca 0.81742840662941 0.83365730981381 0.75000000000000 40.078 > 85 89 Ca 0.43257159337059 0.33365730981381 0.25000000000000 40.078 > 89 90 Ca 0.93257159337059 0.33365730981381 0.25000000000000 40.078 > 89 91 Ca 0.43257159337059 0.33365730981381 0.75000000000000 40.078 > 89 92 Ca 0.93257159337059 0.33365730981381 0.75000000000000 40.078 > 89 93 Ca 0.06742840662941 0.66634269018619 0.25000000000000 40.078 > 93 94 Ca 0.56742840662941 0.66634269018619 0.25000000000000 40.078 > 93 95 Ca 0.06742840662941 0.66634269018619 0.75000000000000 40.078 > 93 96 Ca 0.56742840662941 0.66634269018619 0.75000000000000 40.078 > 93 97 Ge 0.30418547252177 0.14640573515182 0.00000000000000 72.640 > 97 98 Ge 0.80418547252177 0.14640573515182 0.00000000000000 72.640 > 97 99 Ge 0.30418547252177 0.14640573515182 0.50000000000000 72.640 > 97 100 Ge 0.80418547252177 0.14640573515182 0.50000000000000 72.640 > 97 101 Ge 0.19581452747823 0.85359426484818 0.00000000000000 72.640 > 101 102 Ge 0.69581452747823 0.85359426484818 0.00000000000000 72.640 > 101 103 Ge 0.19581452747823 0.85359426484818 0.50000000000000 72.640 > 101 104 Ge 0.69581452747823 0.85359426484818 0.50000000000000 72.640 > 101 105 Ge 0.05418547252177 0.35359426484818 0.00000000000000 72.640 > 105 106 Ge 0.55418547252177 0.35359426484818 0.00000000000000 72.640 > 105 107 Ge 0.05418547252177 0.35359426484818 0.50000000000000 72.640 > 105 108 Ge 0.55418547252177 0.35359426484818 0.50000000000000 72.640 > 105 109 Ge 0.44581452747823 0.64640573515182 0.00000000000000 72.640 > 109 110 Ge 0.94581452747823 0.64640573515182 0.00000000000000 72.640 > 109 111 Ge 0.44581452747823 0.64640573515182 0.50000000000000 72.640 > 109 112 Ge 0.94581452747823 0.64640573515182 0.50000000000000 72.640 > 109 113 Ge 0.25000000000000 0.50000000000000 0.12693951784894 72.640 > 113 114 Ge 0.75000000000000 0.50000000000000 0.12693951784894 72.640 > 113 115 Ge 0.25000000000000 0.50000000000000 0.62693951784894 72.640 > 113 116 Ge 0.75000000000000 0.50000000000000 0.62693951784894 72.640 > 113 117 Ge 0.00000000000000 0.00000000000000 0.37306048215106 72.640 > 117 118 Ge 0.50000000000000 0.00000000000000 0.37306048215106 72.640 > 117 119 Ge 0.00000000000000 0.00000000000000 0.87306048215106 72.640 > 117 120 Ge 0.50000000000000 0.00000000000000 0.87306048215106 72.640 > 117 121 Ge 0.25000000000000 0.50000000000000 0.37306048215106 72.640 > 121 122 Ge 0.75000000000000 0.50000000000000 0.37306048215106 72.640 > 121 123 Ge 0.25000000000000 0.50000000000000 0.87306048215106 72.640 > 121 124 Ge 0.75000000000000 0.50000000000000 0.87306048215106 72.640 > 121 125 Ge 0.00000000000000 0.00000000000000 0.12693951784894 72.640 > 125 126 Ge 0.50000000000000 0.00000000000000 0.12693951784894 72.640 > 125 127 Ge 0.00000000000000 0.00000000000000 0.62693951784894 72.640 > 125 128 Ge 0.50000000000000 0.00000000000000 0.62693951784894 72.640 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.7103171 0.0000000 0.0000000 0.0000000 4.1703805 0.0000000 0.0000000 0.0000000 4.0534485 -------------------------- Born effective charges -------------------------- 1 O -2.8335903 0.6734941 0.0000000 0.5287537 -1.6201348 0.0000000 0.0000000 0.0000000 -2.0788935 2 O -2.8335903 0.6734941 0.0000000 0.5287537 -1.6201348 0.0000000 0.0000000 0.0000000 -2.0788935 3 O -2.8335903 -0.6734941 0.0000000 -0.5287537 -1.6201348 0.0000000 0.0000000 0.0000000 -2.0788935 4 O -2.8335903 -0.6734941 0.0000000 -0.5287537 -1.6201348 0.0000000 0.0000000 0.0000000 -2.0788935 5 O -1.7256055 -0.0363329 0.0000000 0.0902262 -1.9627272 0.0000000 0.0000000 0.0000000 -2.3281938 6 O -1.7256055 -0.0363329 0.0000000 0.0902262 -1.9627272 0.0000000 0.0000000 0.0000000 -2.3281938 7 O -1.7256055 0.0363329 0.0000000 -0.0902262 -1.9627272 0.0000000 0.0000000 0.0000000 -2.3281938 8 O -1.7256055 0.0363329 0.0000000 -0.0902262 -1.9627272 0.0000000 0.0000000 0.0000000 -2.3281938 9 O -1.5974713 -0.3405439 0.0000000 -0.2770468 -2.1297288 0.0000000 0.0000000 0.0000000 -2.0116718 10 O -1.5974713 0.3405439 0.0000000 0.2770468 -2.1297288 0.0000000 0.0000000 0.0000000 -2.0116718 11 O -1.5974713 -0.3405439 0.0000000 -0.2770468 -2.1297288 0.0000000 0.0000000 0.0000000 -2.0116718 12 O -1.5974713 0.3405439 0.0000000 0.2770468 -2.1297288 0.0000000 0.0000000 0.0000000 -2.0116718 13 O -1.5761509 -0.2459673 0.0367784 -0.2686872 -2.4898911 0.4485048 0.0237430 0.5008989 -1.9862891 14 O -1.5761509 -0.2459673 -0.0367784 -0.2686872 -2.4898911 -0.4485048 -0.0237430 -0.5008989 -1.9862891 15 O -1.5761509 0.2459673 -0.0367784 0.2686872 -2.4898911 0.4485048 -0.0237430 0.5008989 -1.9862891 16 O -1.5761509 0.2459673 0.0367784 0.2686872 -2.4898911 -0.4485048 0.0237430 -0.5008989 -1.9862891 17 O -1.5761509 -0.2459673 0.0367784 -0.2686872 -2.4898911 0.4485048 0.0237430 0.5008989 -1.9862891 18 O -1.5761509 -0.2459673 -0.0367784 -0.2686872 -2.4898911 -0.4485048 -0.0237430 -0.5008989 -1.9862891 19 O -1.5761509 0.2459673 -0.0367784 0.2686872 -2.4898911 0.4485048 -0.0237430 0.5008989 -1.9862891 20 O -1.5761509 0.2459673 0.0367784 0.2686872 -2.4898911 -0.4485048 0.0237430 -0.5008989 -1.9862891 21 Ca 2.4920698 0.2269358 0.0000000 -0.0193416 2.4213499 0.0000000 0.0000000 0.0000000 2.4929975 22 Ca 2.4920698 0.2269358 0.0000000 -0.0193416 2.4213499 0.0000000 0.0000000 0.0000000 2.4929975 23 Ca 2.4920698 -0.2269358 0.0000000 0.0193416 2.4213499 0.0000000 0.0000000 0.0000000 2.4929975 24 Ca 2.4920698 -0.2269358 0.0000000 0.0193416 2.4213499 0.0000000 0.0000000 0.0000000 2.4929975 25 Ge 3.5033289 -0.0718407 0.0000000 0.1050093 4.1880103 0.0000000 0.0000000 0.0000000 3.4780790 26 Ge 3.5033289 -0.0718407 0.0000000 0.1050093 4.1880103 0.0000000 0.0000000 0.0000000 3.4780790 27 Ge 3.5033289 0.0718407 0.0000000 -0.1050093 4.1880103 0.0000000 0.0000000 0.0000000 3.4780790 28 Ge 3.5033289 0.0718407 0.0000000 -0.1050093 4.1880103 0.0000000 0.0000000 0.0000000 3.4780790 29 Ge 3.3135702 -0.0805978 0.0000000 -0.4445809 4.0830130 0.0000000 0.0000000 0.0000000 4.4202607 30 Ge 3.3135702 0.0805978 0.0000000 0.4445809 4.0830130 0.0000000 0.0000000 0.0000000 4.4202607 31 Ge 3.3135702 -0.0805978 0.0000000 -0.4445809 4.0830130 0.0000000 0.0000000 0.0000000 4.4202607 32 Ge 3.3135702 0.0805978 0.0000000 0.4445809 4.0830130 0.0000000 0.0000000 0.0000000 4.4202607 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (zyz) 0.00000001 (zyz) 0.00000001 (zzy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (xy) 0.00000001 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:06:34]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:06:34]------------------------- 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 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbam (55) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.317103060000001 0.000000000000000 0.000000000000000 b 0.000000000000000 8.296634200000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.735534539999999 Atomic positions (fractional): 1 O 0.84432587709714 0.07343281004053 0.00000000000000 15.999 2 O 0.15567412290286 0.92656718995947 0.00000000000000 15.999 3 O 0.34432587709714 0.42656718995947 0.00000000000000 15.999 4 O 0.65567412290286 0.57343281004053 0.00000000000000 15.999 5 O 0.34110075607467 0.44430732732714 0.50000000000000 15.999 6 O 0.65889924392533 0.55569267267286 0.50000000000000 15.999 7 O 0.84110075607467 0.05569267267286 0.50000000000000 15.999 8 O 0.15889924392533 0.94430732732714 0.50000000000000 15.999 9 O 0.50000000000000 0.00000000000000 0.20952335282014 15.999 10 O 0.00000000000000 0.50000000000000 0.79047664717986 15.999 11 O 0.50000000000000 0.00000000000000 0.79047664717986 15.999 12 O 0.00000000000000 0.50000000000000 0.20952335282014 15.999 13 O 0.10687157873298 0.20778719524193 0.24225356244162 15.999 14 O 0.89312842126702 0.79221280475807 0.24225356244162 15.999 15 O 0.60687157873298 0.29221280475807 0.75774643755838 15.999 16 O 0.39312842126702 0.70778719524193 0.75774643755838 15.999 17 O 0.89312842126702 0.79221280475807 0.75774643755838 15.999 18 O 0.10687157873298 0.20778719524193 0.75774643755838 15.999 19 O 0.39312842126702 0.70778719524193 0.24225356244162 15.999 20 O 0.60687157873298 0.29221280475807 0.24225356244162 15.999 21 Ca 0.36514318674118 0.16634269018619 0.50000000000000 40.078 22 Ca 0.63485681325882 0.83365730981381 0.50000000000000 40.078 23 Ca 0.86514318674118 0.33365730981381 0.50000000000000 40.078 24 Ca 0.13485681325882 0.66634269018619 0.50000000000000 40.078 25 Ge 0.60837094504355 0.14640573515182 0.00000000000000 72.640 26 Ge 0.39162905495645 0.85359426484818 0.00000000000000 72.640 27 Ge 0.10837094504355 0.35359426484818 0.00000000000000 72.640 28 Ge 0.89162905495645 0.64640573515182 0.00000000000000 72.640 29 Ge 0.50000000000000 0.50000000000000 0.25387903569788 72.640 30 Ge 0.00000000000000 0.00000000000000 0.74612096430212 72.640 31 Ge 0.50000000000000 0.50000000000000 0.74612096430212 72.640 32 Ge 0.00000000000000 0.00000000000000 0.25387903569788 72.640 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.634206120000002 0.000000000000000 0.000000000000000 b 0.000000000000000 8.296634200000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.471069079999998 Atomic positions (fractional): 1 O 0.42216293854857 0.07343281004053 0.00000000000000 15.999 > 1 2 O 0.92216293854857 0.07343281004053 0.00000000000000 15.999 > 1 3 O 0.42216293854857 0.07343281004053 0.50000000000000 15.999 > 1 4 O 0.92216293854857 0.07343281004053 0.50000000000000 15.999 > 1 5 O 0.07783706145143 0.92656718995947 0.00000000000000 15.999 > 5 6 O 0.57783706145143 0.92656718995947 0.00000000000000 15.999 > 5 7 O 0.07783706145143 0.92656718995947 0.50000000000000 15.999 > 5 8 O 0.57783706145143 0.92656718995947 0.50000000000000 15.999 > 5 9 O 0.17216293854857 0.42656718995947 0.00000000000000 15.999 > 9 10 O 0.67216293854857 0.42656718995947 0.00000000000000 15.999 > 9 11 O 0.17216293854857 0.42656718995947 0.50000000000000 15.999 > 9 12 O 0.67216293854857 0.42656718995947 0.50000000000000 15.999 > 9 13 O 0.32783706145143 0.57343281004053 0.00000000000000 15.999 > 13 14 O 0.82783706145143 0.57343281004053 0.00000000000000 15.999 > 13 15 O 0.32783706145143 0.57343281004053 0.50000000000000 15.999 > 13 16 O 0.82783706145143 0.57343281004053 0.50000000000000 15.999 > 13 17 O 0.17055037803734 0.44430732732714 0.25000000000000 15.999 > 17 18 O 0.67055037803734 0.44430732732714 0.25000000000000 15.999 > 17 19 O 0.17055037803734 0.44430732732714 0.75000000000000 15.999 > 17 20 O 0.67055037803734 0.44430732732714 0.75000000000000 15.999 > 17 21 O 0.32944962196266 0.55569267267286 0.25000000000000 15.999 > 21 22 O 0.82944962196266 0.55569267267286 0.25000000000000 15.999 > 21 23 O 0.32944962196266 0.55569267267286 0.75000000000000 15.999 > 21 24 O 0.82944962196266 0.55569267267286 0.75000000000000 15.999 > 21 25 O 0.42055037803734 0.05569267267286 0.25000000000000 15.999 > 25 26 O 0.92055037803734 0.05569267267286 0.25000000000000 15.999 > 25 27 O 0.42055037803734 0.05569267267286 0.75000000000000 15.999 > 25 28 O 0.92055037803734 0.05569267267286 0.75000000000000 15.999 > 25 29 O 0.07944962196266 0.94430732732714 0.25000000000000 15.999 > 29 30 O 0.57944962196266 0.94430732732714 0.25000000000000 15.999 > 29 31 O 0.07944962196266 0.94430732732714 0.75000000000000 15.999 > 29 32 O 0.57944962196266 0.94430732732714 0.75000000000000 15.999 > 29 33 O 0.25000000000000 0.00000000000000 0.10476167641007 15.999 > 33 34 O 0.75000000000000 0.00000000000000 0.10476167641007 15.999 > 33 35 O 0.25000000000000 0.00000000000000 0.60476167641007 15.999 > 33 36 O 0.75000000000000 0.00000000000000 0.60476167641007 15.999 > 33 37 O 0.00000000000000 0.50000000000000 0.39523832358993 15.999 > 37 38 O 0.50000000000000 0.50000000000000 0.39523832358993 15.999 > 37 39 O 0.00000000000000 0.50000000000000 0.89523832358993 15.999 > 37 40 O 0.50000000000000 0.50000000000000 0.89523832358993 15.999 > 37 41 O 0.25000000000000 0.00000000000000 0.39523832358993 15.999 > 41 42 O 0.75000000000000 0.00000000000000 0.39523832358993 15.999 > 41 43 O 0.25000000000000 0.00000000000000 0.89523832358993 15.999 > 41 44 O 0.75000000000000 0.00000000000000 0.89523832358993 15.999 > 41 45 O 0.00000000000000 0.50000000000000 0.10476167641007 15.999 > 45 46 O 0.50000000000000 0.50000000000000 0.10476167641007 15.999 > 45 47 O 0.00000000000000 0.50000000000000 0.60476167641007 15.999 > 45 48 O 0.50000000000000 0.50000000000000 0.60476167641007 15.999 > 45 49 O 0.05343578936649 0.20778719524193 0.12112678122081 15.999 > 49 50 O 0.55343578936649 0.20778719524193 0.12112678122081 15.999 > 49 51 O 0.05343578936649 0.20778719524193 0.62112678122081 15.999 > 49 52 O 0.55343578936649 0.20778719524193 0.62112678122081 15.999 > 49 53 O 0.44656421063351 0.79221280475807 0.12112678122081 15.999 > 53 54 O 0.94656421063351 0.79221280475807 0.12112678122081 15.999 > 53 55 O 0.44656421063351 0.79221280475807 0.62112678122081 15.999 > 53 56 O 0.94656421063351 0.79221280475807 0.62112678122081 15.999 > 53 57 O 0.30343578936649 0.29221280475807 0.37887321877919 15.999 > 57 58 O 0.80343578936649 0.29221280475807 0.37887321877919 15.999 > 57 59 O 0.30343578936649 0.29221280475807 0.87887321877919 15.999 > 57 60 O 0.80343578936649 0.29221280475807 0.87887321877919 15.999 > 57 61 O 0.19656421063351 0.70778719524193 0.37887321877919 15.999 > 61 62 O 0.69656421063351 0.70778719524193 0.37887321877919 15.999 > 61 63 O 0.19656421063351 0.70778719524193 0.87887321877919 15.999 > 61 64 O 0.69656421063351 0.70778719524193 0.87887321877919 15.999 > 61 65 O 0.44656421063351 0.79221280475807 0.37887321877919 15.999 > 65 66 O 0.94656421063351 0.79221280475807 0.37887321877919 15.999 > 65 67 O 0.44656421063351 0.79221280475807 0.87887321877919 15.999 > 65 68 O 0.94656421063351 0.79221280475807 0.87887321877919 15.999 > 65 69 O 0.05343578936649 0.20778719524193 0.37887321877919 15.999 > 69 70 O 0.55343578936649 0.20778719524193 0.37887321877919 15.999 > 69 71 O 0.05343578936649 0.20778719524193 0.87887321877919 15.999 > 69 72 O 0.55343578936649 0.20778719524193 0.87887321877919 15.999 > 69 73 O 0.19656421063351 0.70778719524193 0.12112678122081 15.999 > 73 74 O 0.69656421063351 0.70778719524193 0.12112678122081 15.999 > 73 75 O 0.19656421063351 0.70778719524193 0.62112678122081 15.999 > 73 76 O 0.69656421063351 0.70778719524193 0.62112678122081 15.999 > 73 77 O 0.30343578936649 0.29221280475807 0.12112678122081 15.999 > 77 78 O 0.80343578936649 0.29221280475807 0.12112678122081 15.999 > 77 79 O 0.30343578936649 0.29221280475807 0.62112678122081 15.999 > 77 80 O 0.80343578936649 0.29221280475807 0.62112678122081 15.999 > 77 81 Ca 0.18257159337059 0.16634269018619 0.25000000000000 40.078 > 81 82 Ca 0.68257159337059 0.16634269018619 0.25000000000000 40.078 > 81 83 Ca 0.18257159337059 0.16634269018619 0.75000000000000 40.078 > 81 84 Ca 0.68257159337059 0.16634269018619 0.75000000000000 40.078 > 81 85 Ca 0.31742840662941 0.83365730981381 0.25000000000000 40.078 > 85 86 Ca 0.81742840662941 0.83365730981381 0.25000000000000 40.078 > 85 87 Ca 0.31742840662941 0.83365730981381 0.75000000000000 40.078 > 85 88 Ca 0.81742840662941 0.83365730981381 0.75000000000000 40.078 > 85 89 Ca 0.43257159337059 0.33365730981381 0.25000000000000 40.078 > 89 90 Ca 0.93257159337059 0.33365730981381 0.25000000000000 40.078 > 89 91 Ca 0.43257159337059 0.33365730981381 0.75000000000000 40.078 > 89 92 Ca 0.93257159337059 0.33365730981381 0.75000000000000 40.078 > 89 93 Ca 0.06742840662941 0.66634269018619 0.25000000000000 40.078 > 93 94 Ca 0.56742840662941 0.66634269018619 0.25000000000000 40.078 > 93 95 Ca 0.06742840662941 0.66634269018619 0.75000000000000 40.078 > 93 96 Ca 0.56742840662941 0.66634269018619 0.75000000000000 40.078 > 93 97 Ge 0.30418547252177 0.14640573515182 0.00000000000000 72.640 > 97 98 Ge 0.80418547252177 0.14640573515182 0.00000000000000 72.640 > 97 99 Ge 0.30418547252177 0.14640573515182 0.50000000000000 72.640 > 97 100 Ge 0.80418547252177 0.14640573515182 0.50000000000000 72.640 > 97 101 Ge 0.19581452747823 0.85359426484818 0.00000000000000 72.640 > 101 102 Ge 0.69581452747823 0.85359426484818 0.00000000000000 72.640 > 101 103 Ge 0.19581452747823 0.85359426484818 0.50000000000000 72.640 > 101 104 Ge 0.69581452747823 0.85359426484818 0.50000000000000 72.640 > 101 105 Ge 0.05418547252177 0.35359426484818 0.00000000000000 72.640 > 105 106 Ge 0.55418547252177 0.35359426484818 0.00000000000000 72.640 > 105 107 Ge 0.05418547252177 0.35359426484818 0.50000000000000 72.640 > 105 108 Ge 0.55418547252177 0.35359426484818 0.50000000000000 72.640 > 105 109 Ge 0.44581452747823 0.64640573515182 0.00000000000000 72.640 > 109 110 Ge 0.94581452747823 0.64640573515182 0.00000000000000 72.640 > 109 111 Ge 0.44581452747823 0.64640573515182 0.50000000000000 72.640 > 109 112 Ge 0.94581452747823 0.64640573515182 0.50000000000000 72.640 > 109 113 Ge 0.25000000000000 0.50000000000000 0.12693951784894 72.640 > 113 114 Ge 0.75000000000000 0.50000000000000 0.12693951784894 72.640 > 113 115 Ge 0.25000000000000 0.50000000000000 0.62693951784894 72.640 > 113 116 Ge 0.75000000000000 0.50000000000000 0.62693951784894 72.640 > 113 117 Ge 0.00000000000000 0.00000000000000 0.37306048215106 72.640 > 117 118 Ge 0.50000000000000 0.00000000000000 0.37306048215106 72.640 > 117 119 Ge 0.00000000000000 0.00000000000000 0.87306048215106 72.640 > 117 120 Ge 0.50000000000000 0.00000000000000 0.87306048215106 72.640 > 117 121 Ge 0.25000000000000 0.50000000000000 0.37306048215106 72.640 > 121 122 Ge 0.75000000000000 0.50000000000000 0.37306048215106 72.640 > 121 123 Ge 0.25000000000000 0.50000000000000 0.87306048215106 72.640 > 121 124 Ge 0.75000000000000 0.50000000000000 0.87306048215106 72.640 > 121 125 Ge 0.00000000000000 0.00000000000000 0.12693951784894 72.640 > 125 126 Ge 0.50000000000000 0.00000000000000 0.12693951784894 72.640 > 125 127 Ge 0.00000000000000 0.00000000000000 0.62693951784894 72.640 > 125 128 Ge 0.50000000000000 0.00000000000000 0.62693951784894 72.640 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.7103171 0.0000000 0.0000000 0.0000000 4.1703805 0.0000000 0.0000000 0.0000000 4.0534485 -------------------------- Born effective charges -------------------------- 1 O -2.8335903 0.6734941 0.0000000 0.5287537 -1.6201348 0.0000000 0.0000000 0.0000000 -2.0788935 2 O -2.8335903 0.6734941 0.0000000 0.5287537 -1.6201348 0.0000000 0.0000000 0.0000000 -2.0788935 3 O -2.8335903 -0.6734941 0.0000000 -0.5287537 -1.6201348 0.0000000 0.0000000 0.0000000 -2.0788935 4 O -2.8335903 -0.6734941 0.0000000 -0.5287537 -1.6201348 0.0000000 0.0000000 0.0000000 -2.0788935 5 O -1.7256055 -0.0363329 0.0000000 0.0902262 -1.9627272 0.0000000 0.0000000 0.0000000 -2.3281938 6 O -1.7256055 -0.0363329 0.0000000 0.0902262 -1.9627272 0.0000000 0.0000000 0.0000000 -2.3281938 7 O -1.7256055 0.0363329 0.0000000 -0.0902262 -1.9627272 0.0000000 0.0000000 0.0000000 -2.3281938 8 O -1.7256055 0.0363329 0.0000000 -0.0902262 -1.9627272 0.0000000 0.0000000 0.0000000 -2.3281938 9 O -1.5974713 -0.3405439 0.0000000 -0.2770468 -2.1297288 0.0000000 0.0000000 0.0000000 -2.0116718 10 O -1.5974713 0.3405439 0.0000000 0.2770468 -2.1297288 0.0000000 0.0000000 0.0000000 -2.0116718 11 O -1.5974713 -0.3405439 0.0000000 -0.2770468 -2.1297288 0.0000000 0.0000000 0.0000000 -2.0116718 12 O -1.5974713 0.3405439 0.0000000 0.2770468 -2.1297288 0.0000000 0.0000000 0.0000000 -2.0116718 13 O -1.5761509 -0.2459673 0.0367784 -0.2686872 -2.4898911 0.4485048 0.0237430 0.5008989 -1.9862891 14 O -1.5761509 -0.2459673 -0.0367784 -0.2686872 -2.4898911 -0.4485048 -0.0237430 -0.5008989 -1.9862891 15 O -1.5761509 0.2459673 -0.0367784 0.2686872 -2.4898911 0.4485048 -0.0237430 0.5008989 -1.9862891 16 O -1.5761509 0.2459673 0.0367784 0.2686872 -2.4898911 -0.4485048 0.0237430 -0.5008989 -1.9862891 17 O -1.5761509 -0.2459673 0.0367784 -0.2686872 -2.4898911 0.4485048 0.0237430 0.5008989 -1.9862891 18 O -1.5761509 -0.2459673 -0.0367784 -0.2686872 -2.4898911 -0.4485048 -0.0237430 -0.5008989 -1.9862891 19 O -1.5761509 0.2459673 -0.0367784 0.2686872 -2.4898911 0.4485048 -0.0237430 0.5008989 -1.9862891 20 O -1.5761509 0.2459673 0.0367784 0.2686872 -2.4898911 -0.4485048 0.0237430 -0.5008989 -1.9862891 21 Ca 2.4920698 0.2269358 0.0000000 -0.0193416 2.4213499 0.0000000 0.0000000 0.0000000 2.4929975 22 Ca 2.4920698 0.2269358 0.0000000 -0.0193416 2.4213499 0.0000000 0.0000000 0.0000000 2.4929975 23 Ca 2.4920698 -0.2269358 0.0000000 0.0193416 2.4213499 0.0000000 0.0000000 0.0000000 2.4929975 24 Ca 2.4920698 -0.2269358 0.0000000 0.0193416 2.4213499 0.0000000 0.0000000 0.0000000 2.4929975 25 Ge 3.5033289 -0.0718407 0.0000000 0.1050093 4.1880103 0.0000000 0.0000000 0.0000000 3.4780790 26 Ge 3.5033289 -0.0718407 0.0000000 0.1050093 4.1880103 0.0000000 0.0000000 0.0000000 3.4780790 27 Ge 3.5033289 0.0718407 0.0000000 -0.1050093 4.1880103 0.0000000 0.0000000 0.0000000 3.4780790 28 Ge 3.5033289 0.0718407 0.0000000 -0.1050093 4.1880103 0.0000000 0.0000000 0.0000000 3.4780790 29 Ge 3.3135702 -0.0805978 0.0000000 -0.4445809 4.0830130 0.0000000 0.0000000 0.0000000 4.4202607 30 Ge 3.3135702 0.0805978 0.0000000 0.4445809 4.0830130 0.0000000 0.0000000 0.0000000 4.4202607 31 Ge 3.3135702 -0.0805978 0.0000000 -0.4445809 4.0830130 0.0000000 0.0000000 0.0000000 4.4202607 32 Ge 3.3135702 0.0805978 0.0000000 0.4445809 4.0830130 0.0000000 0.0000000 0.0000000 4.4202607 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (zyz) 0.00000001 (zyz) 0.00000001 (zzy) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 6 9 ] 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: 311, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/80) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 3.432 ( 0.000 0.000 0.000) 0.000 3.749 ( 0.000 0.000 0.000) 0.000 3.829 ( 0.000 0.000 0.000) 0.000 3.991 ( 0.000 0.000 0.000) 0.000 4.258 ( 0.000 0.000 0.000) 0.000 4.876 ( 0.000 0.000 0.000) 0.000 5.083 ( 0.000 0.000 0.000) 0.000 5.264 ( 0.000 0.000 0.000) 0.000 5.385 ( 0.000 0.000 0.000) 0.000 5.446 ( 0.000 0.000 0.000) 0.000 5.525 ( 0.000 0.000 0.000) 0.000 5.593 ( 0.000 0.000 0.000) 0.000 5.651 ( 0.000 0.000 0.000) 0.000 5.652 ( 0.000 0.000 0.000) 0.000 5.821 ( 0.000 0.000 0.000) 0.000 6.342 ( 0.000 0.000 0.000) 0.000 6.492 ( 0.000 0.000 0.000) 0.000 6.549 ( 0.000 0.000 0.000) 0.000 6.573 ( 0.000 0.000 0.000) 0.000 6.969 ( 0.000 0.000 0.000) 0.000 7.134 ( 0.000 0.000 0.000) 0.000 7.194 ( 0.000 0.000 0.000) 0.000 7.258 ( 0.000 0.000 0.000) 0.000 7.277 ( 0.000 0.000 0.000) 0.000 7.297 ( 0.000 0.000 0.000) 0.000 7.308 ( 0.000 0.000 0.000) 0.000 7.459 ( 0.000 0.000 0.000) 0.000 7.591 ( 0.000 0.000 0.000) 0.000 7.985 ( 0.000 0.000 0.000) 0.000 8.008 ( 0.000 0.000 0.000) 0.000 8.112 ( 0.000 0.000 0.000) 0.000 8.294 ( 0.000 0.000 0.000) 0.000 8.661 ( 0.000 0.000 0.000) 0.000 8.776 ( 0.000 0.000 0.000) 0.000 8.782 ( 0.000 0.000 0.000) 0.000 8.802 ( 0.000 0.000 0.000) 0.000 8.998 ( 0.000 0.000 0.000) 0.000 9.358 ( 0.000 0.000 0.000) 0.000 9.621 ( 0.000 0.000 0.000) 0.000 9.920 ( 0.000 0.000 0.000) 0.000 10.219 ( 0.000 0.000 0.000) 0.000 10.632 ( 0.000 0.000 0.000) 0.000 10.921 ( 0.000 0.000 0.000) 0.000 10.958 ( 0.000 0.000 0.000) 0.000 11.147 ( 0.000 0.000 0.000) 0.000 11.853 ( 0.000 0.000 0.000) 0.000 11.973 ( 0.000 0.000 0.000) 0.000 12.028 ( 0.000 0.000 0.000) 0.000 12.045 ( 0.000 0.000 0.000) 0.000 12.205 ( 0.000 0.000 0.000) 0.000 12.541 ( 0.000 0.000 0.000) 0.000 12.560 ( 0.000 0.000 0.000) 0.000 12.777 ( 0.000 0.000 0.000) 0.000 13.309 ( 0.000 0.000 0.000) 0.000 13.325 ( 0.000 0.000 0.000) 0.000 13.392 ( 0.000 0.000 0.000) 0.000 13.700 ( 0.000 0.000 0.000) 0.000 14.066 ( 0.000 0.000 0.000) 0.000 14.148 ( 0.000 0.000 0.000) 0.000 14.187 ( 0.000 0.000 0.000) 0.000 14.211 ( 0.000 0.000 0.000) 0.000 14.449 ( 0.000 0.000 0.000) 0.000 14.452 ( 0.000 0.000 0.000) 0.000 14.475 ( 0.000 0.000 0.000) 0.000 14.606 ( 0.000 0.000 0.000) 0.000 15.136 ( 0.000 0.000 0.000) 0.000 15.204 ( 0.000 0.000 0.000) 0.000 15.228 ( 0.000 0.000 0.000) 0.000 15.541 ( 0.000 0.000 0.000) 0.000 15.865 ( 0.000 0.000 0.000) 0.000 15.873 ( 0.000 0.000 0.000) 0.000 16.204 ( 0.000 0.000 0.000) 0.000 16.782 ( 0.000 0.000 0.000) 0.000 16.879 ( 0.000 0.000 0.000) 0.000 16.907 ( 0.000 0.000 0.000) 0.000 17.432 ( 0.000 0.000 0.000) 0.000 17.494 ( 0.000 0.000 0.000) 0.000 18.545 ( 0.000 0.000 0.000) 0.000 18.781 ( 0.000 0.000 0.000) 0.000 18.903 ( 0.000 0.000 0.000) 0.000 19.235 ( 0.000 0.000 0.000) 0.000 19.898 ( 0.000 0.000 0.000) 0.000 19.928 ( 0.000 0.000 0.000) 0.000 20.045 ( 0.000 0.000 0.000) 0.000 20.178 ( 0.000 0.000 0.000) 0.000 20.347 ( 0.000 0.000 0.000) 0.000 20.808 ( 0.000 0.000 0.000) 0.000 20.960 ( 0.000 0.000 0.000) 0.000 21.707 ( 0.000 0.000 0.000) 0.000 21.963 ( 0.000 0.000 0.000) 0.000 22.119 ( 0.000 0.000 0.000) 0.000 22.825 ( 0.000 0.000 0.000) 0.000 22.848 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/80) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.763 ( 38.852 0.000 0.000) 38.852 0.801 ( 40.339 0.000 0.000) 40.339 1.226 ( 61.606 0.000 0.000) 61.606 3.520 ( 8.516 0.000 0.000) 8.516 3.650 ( -10.954 0.000 0.000) 10.954 3.720 ( -11.173 0.000 0.000) 11.173 4.068 ( 7.709 0.000 0.000) 7.709 4.320 ( 5.688 0.000 0.000) 5.688 4.857 ( -1.923 0.000 0.000) 1.923 4.930 ( -9.069 0.000 0.000) 9.069 5.355 ( 2.368 0.000 0.000) 2.368 5.361 ( -2.594 0.000 0.000) 2.594 5.408 ( -3.509 0.000 0.000) 3.509 5.490 ( -7.057 0.000 0.000) 7.057 5.502 ( -10.169 0.000 0.000) 10.169 5.593 ( 0.225 0.000 0.000) 0.225 5.664 ( 1.881 0.000 0.000) 1.881 5.872 ( -1.323 0.000 0.000) 1.323 6.326 ( -1.196 0.000 0.000) 1.196 6.463 ( -8.428 0.000 0.000) 8.428 6.609 ( 3.779 0.000 0.000) 3.779 6.694 ( 1.647 0.000 0.000) 1.647 6.860 ( -14.109 0.000 0.000) 14.109 6.972 ( 2.251 0.000 0.000) 2.251 7.194 ( -6.290 0.000 0.000) 6.290 7.274 ( -11.837 0.000 0.000) 11.837 7.284 ( 4.434 0.000 0.000) 4.434 7.308 ( -2.679 0.000 0.000) 2.679 7.371 ( 4.974 0.000 0.000) 4.974 7.539 ( 16.026 0.000 0.000) 16.026 7.608 ( 2.750 0.000 0.000) 2.750 7.972 ( -3.660 0.000 0.000) 3.660 8.008 ( 0.444 0.000 0.000) 0.444 8.293 ( -0.277 0.000 0.000) 0.277 8.367 ( 0.905 0.000 0.000) 0.905 8.590 ( -5.533 0.000 0.000) 5.533 8.640 ( -6.822 0.000 0.000) 6.822 8.741 ( -3.154 0.000 0.000) 3.154 8.960 ( 8.479 0.000 0.000) 8.479 9.075 ( 6.140 0.000 0.000) 6.140 9.473 ( 10.257 0.000 0.000) 10.257 9.636 ( 1.352 0.000 0.000) 1.352 9.984 ( 6.255 0.000 0.000) 6.255 10.307 ( 8.251 0.000 0.000) 8.251 10.899 ( -1.975 0.000 0.000) 1.975 10.908 ( -4.589 0.000 0.000) 4.589 11.193 ( 4.570 0.000 0.000) 4.570 11.621 ( -12.055 0.000 0.000) 12.055 11.976 ( -5.073 0.000 0.000) 5.073 11.989 ( -5.722 0.000 0.000) 5.722 12.022 ( 7.449 0.000 0.000) 7.449 12.209 ( 0.311 0.000 0.000) 0.311 12.553 ( 1.114 0.000 0.000) 1.114 12.579 ( 1.603 0.000 0.000) 1.603 12.758 ( -1.786 0.000 0.000) 1.786 12.884 ( -5.226 0.000 0.000) 5.226 13.317 ( -0.655 0.000 0.000) 0.655 13.319 ( 0.526 0.000 0.000) 0.526 13.402 ( 1.086 0.000 0.000) 1.086 13.683 ( -1.721 0.000 0.000) 1.721 14.088 ( 2.163 0.000 0.000) 2.163 14.132 ( -1.092 0.000 0.000) 1.092 14.200 ( 1.205 0.000 0.000) 1.205 14.371 ( 9.659 0.000 0.000) 9.659 14.437 ( -1.836 0.000 0.000) 1.836 14.441 ( -0.695 0.000 0.000) 0.695 14.465 ( -0.544 0.000 0.000) 0.544 14.655 ( 4.955 0.000 0.000) 4.955 15.137 ( 0.022 0.000 0.000) 0.022 15.232 ( 2.771 0.000 0.000) 2.771 15.388 ( -1.351 0.000 0.000) 1.351 15.467 ( -6.895 0.000 0.000) 6.895 15.821 ( -4.177 0.000 0.000) 4.177 16.036 ( -14.624 0.000 0.000) 14.624 16.510 ( 3.457 0.000 0.000) 3.457 16.869 ( 7.250 0.000 0.000) 7.250 16.951 ( 4.237 0.000 0.000) 4.237 16.985 ( 8.403 0.000 0.000) 8.403 17.441 ( 1.687 0.000 0.000) 1.687 18.521 ( -2.724 0.000 0.000) 2.724 18.658 ( -6.356 0.000 0.000) 6.356 18.819 ( -4.218 0.000 0.000) 4.218 19.083 ( 12.099 0.000 0.000) 12.099 19.840 ( -4.177 0.000 0.000) 4.177 19.903 ( -2.387 0.000 0.000) 2.387 20.107 ( 4.691 0.000 0.000) 4.691 20.116 ( -5.960 0.000 0.000) 5.960 20.348 ( -0.000 0.000 0.000) 0.000 20.816 ( 0.806 0.000 0.000) 0.806 20.954 ( -0.591 0.000 0.000) 0.591 21.390 ( 3.113 0.000 0.000) 3.113 21.692 ( -1.502 0.000 0.000) 1.502 22.110 ( -0.874 0.000 0.000) 0.874 22.139 ( -2.517 0.000 0.000) 2.517 22.844 ( 1.713 0.000 0.000) 1.713 22.856 ( 0.778 0.000 0.000) 0.778 ======================= Grid point 2 (3/80) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( 37.621 0.000 0.000) 37.621 1.563 ( 37.433 0.000 0.000) 37.433 2.376 ( 54.940 0.000 0.000) 54.940 3.347 ( -19.438 0.000 0.000) 19.438 3.390 ( -22.349 0.000 0.000) 22.349 3.725 ( 10.840 0.000 0.000) 10.840 4.276 ( 13.007 0.000 0.000) 13.007 4.450 ( 6.939 0.000 0.000) 6.939 4.805 ( -3.258 0.000 0.000) 3.258 4.819 ( -1.951 0.000 0.000) 1.951 5.279 ( -5.714 0.000 0.000) 5.714 5.287 ( -12.243 0.000 0.000) 12.243 5.290 ( -7.915 0.000 0.000) 7.915 5.322 ( -8.009 0.000 0.000) 8.009 5.333 ( -4.247 0.000 0.000) 4.247 5.611 ( 1.659 0.000 0.000) 1.659 5.658 ( -19.786 0.000 0.000) 19.786 5.713 ( 1.728 0.000 0.000) 1.728 6.301 ( -6.478 0.000 0.000) 6.478 6.308 ( -1.281 0.000 0.000) 1.281 6.664 ( -5.051 0.000 0.000) 5.051 6.702 ( 4.844 0.000 0.000) 4.844 6.747 ( 3.019 0.000 0.000) 3.019 7.029 ( -10.071 0.000 0.000) 10.071 7.050 ( 4.658 0.000 0.000) 4.658 7.062 ( -5.597 0.000 0.000) 5.597 7.303 ( 0.470 0.000 0.000) 0.470 7.384 ( -2.554 0.000 0.000) 2.554 7.400 ( 7.202 0.000 0.000) 7.202 7.708 ( 5.979 0.000 0.000) 5.979 7.830 ( 13.366 0.000 0.000) 13.366 7.870 ( -6.638 0.000 0.000) 6.638 7.971 ( -3.893 0.000 0.000) 3.893 8.273 ( -2.030 0.000 0.000) 2.030 8.399 ( 2.545 0.000 0.000) 2.545 8.493 ( -3.792 0.000 0.000) 3.792 8.529 ( -4.502 0.000 0.000) 4.502 8.666 ( -4.390 0.000 0.000) 4.390 9.111 ( 6.723 0.000 0.000) 6.723 9.186 ( 4.554 0.000 0.000) 4.554 9.680 ( 3.196 0.000 0.000) 3.196 9.682 ( 9.333 0.000 0.000) 9.333 10.142 ( 9.330 0.000 0.000) 9.330 10.474 ( 6.081 0.000 0.000) 6.081 10.815 ( -3.721 0.000 0.000) 3.721 10.871 ( 0.289 0.000 0.000) 0.289 11.317 ( 7.874 0.000 0.000) 7.874 11.402 ( -9.141 0.000 0.000) 9.141 11.824 ( -10.986 0.000 0.000) 10.986 11.845 ( -8.016 0.000 0.000) 8.016 12.136 ( 4.317 0.000 0.000) 4.317 12.215 ( 0.226 0.000 0.000) 0.226 12.581 ( 1.667 0.000 0.000) 1.667 12.610 ( 1.331 0.000 0.000) 1.331 12.716 ( -2.256 0.000 0.000) 2.256 12.775 ( -5.255 0.000 0.000) 5.255 13.305 ( -0.518 0.000 0.000) 0.518 13.318 ( -0.587 0.000 0.000) 0.587 13.435 ( 2.269 0.000 0.000) 2.269 13.634 ( -3.210 0.000 0.000) 3.210 14.147 ( 3.701 0.000 0.000) 3.701 14.154 ( 2.644 0.000 0.000) 2.644 14.225 ( 1.162 0.000 0.000) 1.162 14.385 ( -3.346 0.000 0.000) 3.346 14.428 ( -0.465 0.000 0.000) 0.465 14.454 ( -0.732 0.000 0.000) 0.732 14.572 ( 10.783 0.000 0.000) 10.783 14.797 ( 9.556 0.000 0.000) 9.556 15.123 ( -2.577 0.000 0.000) 2.577 15.303 ( 4.092 0.000 0.000) 4.092 15.317 ( -6.748 0.000 0.000) 6.748 15.349 ( -2.525 0.000 0.000) 2.525 15.713 ( -17.051 0.000 0.000) 17.051 15.715 ( -6.362 0.000 0.000) 6.362 16.607 ( 6.360 0.000 0.000) 6.360 16.964 ( 0.434 0.000 0.000) 0.434 17.054 ( 5.741 0.000 0.000) 5.741 17.133 ( 5.754 0.000 0.000) 5.754 17.557 ( 11.369 0.000 0.000) 11.369 18.416 ( -8.695 0.000 0.000) 8.695 18.580 ( -1.607 0.000 0.000) 1.607 18.723 ( -4.933 0.000 0.000) 4.933 19.323 ( 12.156 0.000 0.000) 12.156 19.770 ( -2.568 0.000 0.000) 2.568 19.843 ( -3.457 0.000 0.000) 3.457 19.963 ( -9.322 0.000 0.000) 9.322 20.197 ( 4.331 0.000 0.000) 4.331 20.343 ( -0.647 0.000 0.000) 0.647 20.839 ( 1.528 0.000 0.000) 1.528 20.938 ( -1.108 0.000 0.000) 1.108 21.461 ( 3.874 0.000 0.000) 3.874 21.651 ( -2.531 0.000 0.000) 2.531 22.088 ( -2.293 0.000 0.000) 2.293 22.088 ( -1.296 0.000 0.000) 1.296 22.875 ( 1.084 0.000 0.000) 1.084 22.879 ( 1.528 0.000 0.000) 1.528 ======================= Grid point 3 (4/80) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.224 ( 35.101 0.000 0.000) 35.101 2.254 ( 33.079 0.000 0.000) 33.079 2.836 ( -24.757 0.000 0.000) 24.757 2.868 ( -30.454 0.000 0.000) 30.454 3.381 ( 37.616 0.000 0.000) 37.616 3.830 ( -5.075 0.000 0.000) 5.075 4.530 ( 10.451 0.000 0.000) 10.451 4.565 ( 4.221 0.000 0.000) 4.221 4.750 ( -0.785 0.000 0.000) 0.785 4.811 ( -1.871 0.000 0.000) 1.871 5.067 ( -7.253 0.000 0.000) 7.253 5.126 ( -5.417 0.000 0.000) 5.417 5.135 ( -13.099 0.000 0.000) 13.099 5.156 ( -5.991 0.000 0.000) 5.991 5.273 ( -1.541 0.000 0.000) 1.541 5.308 ( -7.883 0.000 0.000) 7.883 5.655 ( 2.750 0.000 0.000) 2.750 5.707 ( -2.055 0.000 0.000) 2.055 6.234 ( -0.485 0.000 0.000) 0.485 6.263 ( -2.755 0.000 0.000) 2.755 6.671 ( 5.118 0.000 0.000) 5.118 6.773 ( 2.228 0.000 0.000) 2.228 6.787 ( 0.766 0.000 0.000) 0.766 6.827 ( -9.957 0.000 0.000) 9.957 7.058 ( 3.241 0.000 0.000) 3.241 7.107 ( -0.021 0.000 0.000) 0.021 7.317 ( 0.629 0.000 0.000) 0.629 7.331 ( -1.648 0.000 0.000) 1.648 7.556 ( 8.493 0.000 0.000) 8.493 7.722 ( -8.291 0.000 0.000) 8.291 7.803 ( 3.907 0.000 0.000) 3.907 7.883 ( -4.548 0.000 0.000) 4.548 8.054 ( 9.554 0.000 0.000) 9.554 8.202 ( -5.534 0.000 0.000) 5.534 8.450 ( -0.628 0.000 0.000) 0.628 8.465 ( -2.065 0.000 0.000) 2.065 8.470 ( 4.656 0.000 0.000) 4.656 8.571 ( -5.259 0.000 0.000) 5.259 9.212 ( 3.411 0.000 0.000) 3.411 9.239 ( 0.714 0.000 0.000) 0.714 9.753 ( 3.679 0.000 0.000) 3.679 9.788 ( 1.171 0.000 0.000) 1.171 10.326 ( 9.008 0.000 0.000) 9.008 10.473 ( -5.232 0.000 0.000) 5.232 10.804 ( 2.903 0.000 0.000) 2.903 10.880 ( -2.345 0.000 0.000) 2.345 11.355 ( 6.280 0.000 0.000) 6.280 11.488 ( 9.384 0.000 0.000) 9.384 11.577 ( -13.593 0.000 0.000) 13.593 11.673 ( -9.335 0.000 0.000) 9.335 12.194 ( 1.808 0.000 0.000) 1.808 12.214 ( -0.388 0.000 0.000) 0.388 12.611 ( 1.240 0.000 0.000) 1.240 12.624 ( 0.018 0.000 0.000) 0.018 12.683 ( -0.719 0.000 0.000) 0.719 12.698 ( -2.366 0.000 0.000) 2.366 13.300 ( -0.013 0.000 0.000) 0.013 13.305 ( -0.551 0.000 0.000) 0.551 13.491 ( 3.388 0.000 0.000) 3.388 13.563 ( -3.864 0.000 0.000) 3.864 14.208 ( 2.379 0.000 0.000) 2.379 14.227 ( 4.340 0.000 0.000) 4.340 14.235 ( -0.325 0.000 0.000) 0.325 14.311 ( -4.153 0.000 0.000) 4.153 14.426 ( 0.303 0.000 0.000) 0.303 14.438 ( -0.804 0.000 0.000) 0.804 14.786 ( 11.039 0.000 0.000) 11.039 14.994 ( -9.752 0.000 0.000) 9.752 15.024 ( 13.496 0.000 0.000) 13.496 15.262 ( 0.496 0.000 0.000) 0.496 15.293 ( -10.909 0.000 0.000) 10.909 15.297 ( -2.563 0.000 0.000) 2.563 15.490 ( 0.288 0.000 0.000) 0.288 15.586 ( -6.548 0.000 0.000) 6.548 16.748 ( 7.746 0.000 0.000) 7.746 16.893 ( -6.459 0.000 0.000) 6.459 17.154 ( 4.018 0.000 0.000) 4.018 17.193 ( 0.386 0.000 0.000) 0.386 17.852 ( 17.200 0.000 0.000) 17.200 18.178 ( -15.177 0.000 0.000) 15.177 18.586 ( 1.874 0.000 0.000) 1.874 18.640 ( -3.510 0.000 0.000) 3.510 19.552 ( 11.336 0.000 0.000) 11.336 19.748 ( 0.336 0.000 0.000) 0.336 19.766 ( -10.586 0.000 0.000) 10.586 19.780 ( -2.713 0.000 0.000) 2.713 20.271 ( 3.156 0.000 0.000) 3.156 20.319 ( -1.817 0.000 0.000) 1.817 20.874 ( 1.915 0.000 0.000) 1.915 20.910 ( -1.705 0.000 0.000) 1.705 21.533 ( 3.441 0.000 0.000) 3.441 21.596 ( -3.037 0.000 0.000) 3.037 22.060 ( -0.503 0.000 0.000) 0.503 22.065 ( -0.899 0.000 0.000) 0.899 22.894 ( 0.680 0.000 0.000) 0.680 22.898 ( 0.355 0.000 0.000) 0.355 ======================= Grid point 7 (5/80) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.739 ( 0.000 35.741 0.000) 35.741 0.797 ( 0.000 39.736 0.000) 39.736 1.650 ( 0.000 79.902 0.000) 79.902 3.245 ( 0.000 -18.088 0.000) 18.088 3.571 ( 0.000 -19.610 0.000) 19.610 3.825 ( 0.000 7.494 0.000) 7.494 4.183 ( 0.000 12.096 0.000) 12.096 4.325 ( 0.000 5.025 0.000) 5.025 4.775 ( 0.000 -18.529 0.000) 18.529 4.821 ( 0.000 -4.270 0.000) 4.270 5.201 ( 0.000 -18.142 0.000) 18.142 5.370 ( 0.000 10.332 0.000) 10.332 5.418 ( 0.000 -5.972 0.000) 5.972 5.474 ( 0.000 6.547 0.000) 6.547 5.747 ( 0.000 8.528 0.000) 8.528 5.793 ( 0.000 7.290 0.000) 7.290 5.906 ( 0.000 21.643 0.000) 21.643 5.998 ( 0.000 10.629 0.000) 10.629 6.296 ( 0.000 -10.596 0.000) 10.596 6.428 ( 0.000 -6.728 0.000) 6.728 6.498 ( 0.000 15.563 0.000) 15.563 6.869 ( 0.000 -9.492 0.000) 9.492 6.915 ( 0.000 16.423 0.000) 16.423 7.097 ( 0.000 -9.440 0.000) 9.440 7.106 ( 0.000 -9.183 0.000) 9.183 7.117 ( 0.000 -3.511 0.000) 3.511 7.207 ( 0.000 -5.765 0.000) 5.765 7.275 ( 0.000 1.410 0.000) 1.410 7.428 ( 0.000 -4.414 0.000) 4.414 7.629 ( 0.000 12.586 0.000) 12.586 7.789 ( 0.000 -13.421 0.000) 13.421 7.856 ( 0.000 14.035 0.000) 14.035 8.035 ( 0.000 1.070 0.000) 1.070 8.086 ( 0.000 -5.272 0.000) 5.272 8.216 ( 0.000 -7.668 0.000) 7.668 8.567 ( 0.000 -4.792 0.000) 4.792 8.712 ( 0.000 -4.314 0.000) 4.314 8.828 ( 0.000 3.013 0.000) 3.013 8.920 ( 0.000 7.606 0.000) 7.606 9.070 ( 0.000 4.760 0.000) 4.760 9.306 ( 0.000 -23.899 0.000) 23.899 9.889 ( 0.000 -31.480 0.000) 31.480 9.974 ( 0.000 5.131 0.000) 5.131 10.285 ( 0.000 -0.284 0.000) 0.284 10.716 ( 0.000 1.510 0.000) 1.510 10.874 ( 0.000 17.730 0.000) 17.730 11.254 ( 0.000 10.455 0.000) 10.455 11.364 ( 0.000 15.087 0.000) 15.087 11.749 ( 0.000 -14.542 0.000) 14.542 11.870 ( 0.000 1.706 0.000) 1.706 12.063 ( 0.000 -2.014 0.000) 2.014 12.106 ( 0.000 7.469 0.000) 7.469 12.348 ( 0.000 10.407 0.000) 10.407 12.514 ( 0.000 -2.925 0.000) 2.925 12.588 ( 0.000 2.591 0.000) 2.591 12.772 ( 0.000 -2.613 0.000) 2.613 13.228 ( 0.000 -13.854 0.000) 13.854 13.373 ( 0.000 5.511 0.000) 5.511 13.542 ( 0.000 -13.849 0.000) 13.849 13.925 ( 0.000 -10.125 0.000) 10.125 13.980 ( 0.000 -8.948 0.000) 8.948 13.996 ( 0.000 -20.095 0.000) 20.095 14.214 ( 0.000 0.823 0.000) 0.823 14.446 ( 0.000 12.244 0.000) 12.244 14.537 ( 0.000 5.970 0.000) 5.970 14.634 ( 0.000 5.105 0.000) 5.105 14.830 ( 0.000 4.212 0.000) 4.212 15.037 ( 0.000 28.063 0.000) 28.063 15.146 ( 0.000 -6.688 0.000) 6.688 15.263 ( 0.000 5.169 0.000) 5.169 15.517 ( 0.000 0.341 0.000) 0.341 15.893 ( 0.000 4.002 0.000) 4.002 16.038 ( 0.000 13.154 0.000) 13.154 16.263 ( 0.000 5.815 0.000) 5.815 16.481 ( 0.000 -8.473 0.000) 8.473 16.737 ( 0.000 -6.669 0.000) 6.669 17.076 ( 0.000 -6.316 0.000) 6.316 17.146 ( 0.000 15.203 0.000) 15.203 17.497 ( 0.000 0.176 0.000) 0.176 17.497 ( 0.000 -0.427 0.000) 0.427 18.574 ( 0.000 2.693 0.000) 2.693 18.867 ( 0.000 -3.035 0.000) 3.035 19.162 ( 0.000 -39.246 0.000) 39.246 19.310 ( 0.000 6.863 0.000) 6.863 19.627 ( 0.000 -27.856 0.000) 27.856 20.116 ( 0.000 -6.066 0.000) 6.066 20.505 ( 0.000 24.299 0.000) 24.299 20.658 ( 0.000 17.364 0.000) 17.364 20.811 ( 0.000 0.316 0.000) 0.316 20.916 ( 0.000 -3.058 0.000) 3.058 21.250 ( 0.000 6.317 0.000) 6.317 21.891 ( 0.000 -6.130 0.000) 6.130 22.165 ( 0.000 3.739 0.000) 3.739 22.583 ( 0.000 -3.399 0.000) 3.399 22.840 ( 0.000 1.348 0.000) 1.348 22.862 ( 0.000 1.219 0.000) 1.219 ======================= Grid point 8 (6/80) ======================= q-point: ( 0.14 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( 26.296 28.152 0.000) 38.523 1.156 ( 32.343 23.587 0.000) 40.030 1.998 ( 33.098 63.440 0.000) 71.555 3.283 ( 3.110 -18.210 0.000) 18.473 3.542 ( -4.030 -15.907 0.000) 16.409 3.776 ( -4.135 8.841 0.000) 9.760 4.193 ( 1.257 9.011 0.000) 9.098 4.379 ( 5.230 4.320 0.000) 6.784 4.667 ( -7.102 -15.129 0.000) 16.713 4.837 ( -0.131 -4.436 0.000) 4.438 5.115 ( -7.531 -18.261 0.000) 19.753 5.365 ( -1.539 7.118 0.000) 7.282 5.370 ( -5.394 -5.346 0.000) 7.594 5.465 ( -1.465 6.458 0.000) 6.622 5.735 ( -0.680 9.757 0.000) 9.780 5.756 ( -3.258 10.995 0.000) 11.468 5.926 ( 1.518 20.605 0.000) 20.661 5.992 ( -4.849 5.035 0.000) 6.990 6.320 ( 6.141 -9.178 0.000) 11.043 6.442 ( -7.257 9.434 0.000) 11.902 6.468 ( -0.203 -1.382 0.000) 1.397 6.802 ( 0.899 -9.145 0.000) 9.189 6.819 ( -13.021 -4.538 0.000) 13.789 6.932 ( 0.310 9.577 0.000) 9.582 7.193 ( -5.956 -1.298 0.000) 6.096 7.198 ( 4.432 -5.494 0.000) 7.059 7.238 ( 3.641 -3.477 0.000) 5.034 7.283 ( -11.727 0.015 0.000) 11.727 7.413 ( 12.461 -9.589 0.000) 15.723 7.595 ( -0.910 9.841 0.000) 9.883 7.653 ( -4.855 4.145 0.000) 6.384 7.926 ( 2.040 -4.650 0.000) 5.078 8.018 ( -1.451 1.841 0.000) 2.344 8.208 ( -0.847 -8.026 0.000) 8.070 8.253 ( 9.426 -5.006 0.000) 10.673 8.529 ( -3.032 -2.510 0.000) 3.936 8.661 ( -3.791 0.073 0.000) 3.792 8.813 ( -2.133 3.056 0.000) 3.727 8.998 ( 6.365 3.926 0.000) 7.479 9.122 ( 4.478 3.340 0.000) 5.586 9.352 ( 3.635 -22.932 0.000) 23.218 9.753 ( -7.442 10.315 0.000) 12.719 9.934 ( 2.606 -29.799 0.000) 29.913 10.184 ( -0.225 16.813 0.000) 16.815 10.670 ( 3.136 -2.940 0.000) 4.298 11.286 ( -7.158 11.653 0.000) 13.676 11.297 ( 4.351 10.238 0.000) 11.124 11.557 ( 20.885 -12.627 0.000) 24.406 11.594 ( -1.546 -14.684 0.000) 14.765 11.970 ( 4.116 -4.369 0.000) 6.002 12.055 ( -4.921 7.717 0.000) 9.153 12.106 ( 4.976 -0.873 0.000) 5.052 12.359 ( 1.393 7.828 0.000) 7.951 12.523 ( 1.065 -3.066 0.000) 3.246 12.607 ( 1.613 2.585 0.000) 3.047 12.731 ( -3.788 -3.118 0.000) 4.906 13.237 ( 0.954 -14.002 0.000) 14.034 13.396 ( 2.250 6.855 0.000) 7.215 13.522 ( -2.005 -14.175 0.000) 14.316 13.962 ( 3.378 -8.715 0.000) 9.346 13.981 ( 0.404 -13.526 0.000) 13.532 14.011 ( 1.193 -15.637 0.000) 15.682 14.186 ( -4.899 4.280 0.000) 6.505 14.354 ( -10.208 14.860 0.000) 18.028 14.540 ( 0.369 6.771 0.000) 6.781 14.633 ( -0.206 5.199 0.000) 5.203 14.700 ( -5.838 18.641 0.000) 19.534 15.051 ( 1.563 26.453 0.000) 26.499 15.151 ( 0.885 -4.206 0.000) 4.298 15.283 ( 1.931 4.501 0.000) 4.898 15.457 ( -7.374 1.744 0.000) 7.577 15.570 ( -19.059 16.402 0.000) 25.145 15.852 ( -4.033 4.719 0.000) 6.208 16.142 ( -10.541 9.624 0.000) 14.273 16.622 ( 5.143 4.522 0.000) 6.848 16.818 ( 6.909 -6.862 0.000) 9.738 16.900 ( 0.434 3.383 0.000) 3.410 17.182 ( 2.971 12.290 0.000) 12.644 17.410 ( 1.827 -2.290 0.000) 2.929 18.041 ( 16.006 -24.922 0.000) 29.619 18.601 ( 2.120 2.295 0.000) 3.125 18.967 ( 10.040 -5.965 0.000) 11.678 19.139 ( -13.072 12.469 0.000) 18.066 19.173 ( 1.111 -38.060 0.000) 38.076 19.595 ( -3.200 -27.547 0.000) 27.732 20.063 ( -5.844 -6.133 0.000) 8.471 20.517 ( 1.206 23.375 0.000) 23.406 20.654 ( -0.447 17.396 0.000) 17.402 20.819 ( 1.050 0.506 0.000) 1.165 20.944 ( 1.116 -2.110 0.000) 2.387 21.303 ( 4.946 2.096 0.000) 5.372 21.829 ( -5.624 -2.053 0.000) 5.987 22.135 ( -2.440 3.814 0.000) 4.528 22.346 ( -12.657 9.505 0.000) 15.829 22.847 ( 0.782 0.647 0.000) 1.015 22.877 ( 1.243 1.427 0.000) 1.892 ======================= Grid point 9 (7/80) ======================= q-point: ( 0.29 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( 32.556 16.712 0.000) 36.594 1.797 ( 32.049 17.760 0.000) 36.641 2.791 ( 44.001 39.179 0.000) 58.916 3.240 ( -10.381 -10.366 0.000) 14.670 3.350 ( -16.581 -4.790 0.000) 17.260 3.774 ( 6.029 5.201 0.000) 7.962 4.248 ( 4.770 -4.826 0.000) 6.785 4.511 ( 7.090 -0.337 0.000) 7.098 4.568 ( -2.129 -8.585 0.000) 8.845 4.831 ( 0.086 0.169 0.000) 0.190 4.942 ( -9.684 -18.720 0.000) 21.077 5.218 ( -9.954 -3.501 0.000) 10.552 5.293 ( -5.508 4.589 0.000) 7.170 5.389 ( -6.376 6.310 0.000) 8.971 5.647 ( -8.424 10.817 0.000) 13.710 5.744 ( 1.843 11.286 0.000) 11.436 5.789 ( -14.545 7.361 0.000) 16.302 5.936 ( -1.202 17.688 0.000) 17.729 6.264 ( -7.001 -0.429 0.000) 7.014 6.399 ( -3.447 5.949 0.000) 6.875 6.522 ( 9.802 -6.644 0.000) 11.842 6.647 ( -3.691 -1.828 0.000) 4.119 6.877 ( -0.784 0.326 0.000) 0.849 6.936 ( 4.269 -4.228 0.000) 6.009 7.031 ( -9.908 -0.301 0.000) 9.913 7.105 ( -2.113 4.840 0.000) 5.281 7.272 ( 1.612 -2.903 0.000) 3.320 7.336 ( 6.133 -5.411 0.000) 8.179 7.490 ( -6.505 8.859 0.000) 10.991 7.590 ( 4.438 -13.422 0.000) 14.136 7.693 ( 3.935 -2.521 0.000) 4.674 7.916 ( -2.687 -3.646 0.000) 4.529 8.002 ( 0.724 2.353 0.000) 2.462 8.179 ( -2.126 -8.357 0.000) 8.623 8.395 ( 5.748 -0.854 0.000) 5.811 8.483 ( -1.114 1.493 0.000) 1.863 8.591 ( -3.258 3.819 0.000) 5.020 8.741 ( -5.004 3.500 0.000) 6.106 9.125 ( 6.077 1.504 0.000) 6.260 9.208 ( 3.658 1.616 0.000) 3.999 9.437 ( 6.027 -20.293 0.000) 21.169 9.779 ( 5.461 4.854 0.000) 7.307 9.967 ( 0.530 -34.802 0.000) 34.806 10.191 ( -0.150 9.850 0.000) 9.851 10.793 ( 8.631 -1.212 0.000) 8.716 11.124 ( -7.897 5.706 0.000) 9.743 11.416 ( 7.548 9.704 0.000) 12.294 11.426 ( -5.862 1.884 0.000) 6.157 11.746 ( -4.971 -8.469 0.000) 9.820 11.928 ( -7.823 8.126 0.000) 11.279 12.112 ( 8.545 -5.097 0.000) 9.950 12.203 ( 3.708 0.475 0.000) 3.739 12.409 ( 3.448 -2.334 0.000) 4.163 12.556 ( 2.202 -2.624 0.000) 3.426 12.634 ( 0.807 2.001 0.000) 2.158 12.643 ( -4.779 -4.787 0.000) 6.764 13.266 ( 2.056 -14.386 0.000) 14.532 13.454 ( 3.613 10.901 0.000) 11.484 13.466 ( -3.582 -14.805 0.000) 15.233 13.905 ( -13.754 22.673 0.000) 26.519 13.998 ( 1.332 -15.517 0.000) 15.574 14.033 ( 0.924 -14.043 0.000) 14.073 14.076 ( 3.724 -2.564 0.000) 4.521 14.255 ( -1.506 3.520 0.000) 3.828 14.551 ( 0.808 8.282 0.000) 8.322 14.622 ( -0.939 6.394 0.000) 6.463 14.712 ( 4.838 11.043 0.000) 12.056 15.107 ( 4.389 21.108 0.000) 21.559 15.178 ( 0.714 1.961 0.000) 2.086 15.243 ( -9.419 -1.237 0.000) 9.500 15.327 ( 2.077 2.043 0.000) 2.914 15.409 ( -4.883 3.733 0.000) 6.147 15.752 ( -5.654 8.387 0.000) 10.115 15.916 ( -11.350 16.205 0.000) 19.785 16.697 ( 4.241 7.410 0.000) 8.538 16.957 ( 0.946 -0.570 0.000) 1.104 16.968 ( 7.984 -5.966 0.000) 9.967 17.229 ( 1.144 6.270 0.000) 6.373 17.528 ( 11.008 -2.332 0.000) 11.252 18.158 ( -0.582 -17.127 0.000) 17.136 18.628 ( 0.681 2.996 0.000) 3.073 18.890 ( -11.400 10.482 0.000) 15.486 19.210 ( 13.116 -7.780 0.000) 15.250 19.211 ( 2.921 -34.942 0.000) 35.064 19.509 ( -5.345 -27.375 0.000) 27.892 19.901 ( -10.084 -6.488 0.000) 11.991 20.548 ( 1.829 21.380 0.000) 21.458 20.641 ( -0.949 17.602 0.000) 17.628 20.849 ( 1.834 0.927 0.000) 2.054 20.944 ( -0.791 -0.018 0.000) 0.791 21.415 ( 5.881 -0.551 0.000) 5.907 21.714 ( -5.499 0.922 0.000) 5.576 22.094 ( -1.452 3.011 0.000) 3.343 22.188 ( -5.120 6.221 0.000) 8.057 22.868 ( 1.245 -0.043 0.000) 1.246 22.900 ( 0.846 1.109 0.000) 1.395 ======================= Grid point 10 (8/80) ======================= q-point: ( 0.43 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.326 ( 31.984 9.811 0.000) 33.455 2.390 ( 28.347 11.475 0.000) 30.582 2.890 ( -22.382 3.789 0.000) 22.700 2.912 ( -27.230 3.924 0.000) 27.511 3.600 ( 33.143 20.830 0.000) 39.145 3.904 ( 1.662 5.689 0.000) 5.926 4.368 ( 6.713 -15.426 0.000) 16.824 4.485 ( -4.840 -16.442 0.000) 17.139 4.700 ( 9.332 7.242 0.000) 11.812 4.783 ( -3.509 -16.307 0.000) 16.680 4.829 ( -2.253 5.396 0.000) 5.847 4.945 ( -17.355 -5.760 0.000) 18.286 5.193 ( -2.397 4.637 0.000) 5.220 5.249 ( -6.664 6.303 0.000) 9.172 5.487 ( -3.776 6.779 0.000) 7.759 5.544 ( -8.434 12.115 0.000) 14.762 5.800 ( 3.672 12.435 0.000) 12.965 5.879 ( -4.023 14.310 0.000) 14.865 6.225 ( 2.153 0.717 0.000) 2.269 6.306 ( -5.218 4.102 0.000) 6.637 6.675 ( 5.652 0.288 0.000) 5.659 6.702 ( 7.576 -3.218 0.000) 8.231 6.809 ( -3.966 -0.520 0.000) 4.000 6.832 ( -9.776 0.345 0.000) 9.782 7.043 ( 4.764 -0.845 0.000) 4.839 7.110 ( -0.987 2.582 0.000) 2.764 7.304 ( 2.864 -1.348 0.000) 3.165 7.381 ( -4.597 4.477 0.000) 6.417 7.466 ( 6.782 -7.747 0.000) 10.297 7.581 ( -4.293 -11.057 0.000) 11.861 7.760 ( 3.409 -4.253 0.000) 5.450 7.840 ( -4.543 -3.320 0.000) 5.627 8.054 ( 3.860 -2.681 0.000) 4.700 8.126 ( -3.277 -7.011 0.000) 7.739 8.489 ( 1.521 4.594 0.000) 4.839 8.505 ( 5.952 1.290 0.000) 6.091 8.533 ( -2.750 5.383 0.000) 6.044 8.627 ( -6.329 2.540 0.000) 6.819 9.220 ( 3.333 0.688 0.000) 3.403 9.249 ( 0.365 0.760 0.000) 0.843 9.596 ( 9.663 -17.835 0.000) 20.285 9.773 ( -6.880 -11.114 0.000) 13.071 10.036 ( 6.777 -17.832 0.000) 19.076 10.153 ( -4.173 -3.598 0.000) 5.510 10.943 ( 5.253 0.818 0.000) 5.316 11.015 ( -3.498 3.627 0.000) 5.039 11.402 ( 4.633 3.508 0.000) 5.811 11.574 ( -10.696 -1.191 0.000) 10.762 11.581 ( 9.073 9.090 0.000) 12.843 11.761 ( -9.090 8.559 0.000) 12.485 12.221 ( 2.937 2.968 0.000) 4.176 12.243 ( 0.512 3.765 0.000) 3.800 12.480 ( 3.681 -8.896 0.000) 9.628 12.555 ( -4.154 -7.563 0.000) 8.629 12.602 ( 2.179 -1.235 0.000) 2.505 12.633 ( -0.905 0.568 0.000) 1.069 13.318 ( 3.245 -14.842 0.000) 15.193 13.390 ( -3.991 -15.082 0.000) 15.601 13.540 ( 5.378 16.796 0.000) 17.636 13.677 ( -9.057 22.907 0.000) 24.632 14.026 ( 1.283 -15.497 0.000) 15.550 14.041 ( -0.194 -14.564 0.000) 14.566 14.163 ( 4.059 -2.947 0.000) 5.016 14.224 ( -2.158 -0.429 0.000) 2.200 14.571 ( 1.231 9.090 0.000) 9.173 14.598 ( -1.400 8.306 0.000) 8.423 14.845 ( 8.347 4.956 0.000) 9.707 15.026 ( -9.945 2.854 0.000) 10.346 15.219 ( 6.635 11.668 0.000) 13.423 15.246 ( 3.316 -0.844 0.000) 3.422 15.320 ( -4.188 1.639 0.000) 4.497 15.328 ( -3.074 1.313 0.000) 3.343 15.672 ( -0.921 16.882 0.000) 16.907 15.735 ( -6.732 18.533 0.000) 19.717 16.798 ( 5.842 4.533 0.000) 7.394 16.909 ( -4.909 1.494 0.000) 5.131 17.114 ( 6.559 -3.587 0.000) 7.476 17.211 ( -3.084 0.522 0.000) 3.128 17.802 ( 15.194 -4.436 0.000) 15.828 18.058 ( -9.729 -9.773 0.000) 13.790 18.644 ( 1.626 4.443 0.000) 4.732 18.715 ( -6.137 6.725 0.000) 9.105 19.288 ( 4.926 -31.231 0.000) 31.618 19.396 ( -5.936 -28.480 0.000) 29.092 19.458 ( 12.199 -8.102 0.000) 14.645 19.688 ( -11.447 -7.434 0.000) 13.649 20.584 ( 1.835 19.491 0.000) 19.577 20.617 ( -1.464 18.230 0.000) 18.288 20.886 ( 1.895 1.038 0.000) 2.161 20.920 ( -1.563 0.724 0.000) 1.722 21.522 ( 5.071 -0.112 0.000) 5.072 21.616 ( -4.731 0.691 0.000) 4.782 22.084 ( 0.528 2.902 0.000) 2.950 22.115 ( -2.583 3.879 0.000) 4.660 22.891 ( 1.083 -0.096 0.000) 1.087 22.906 ( -0.269 0.395 0.000) 0.478 ======================= Grid point 14 (9/80) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( 0.000 32.966 0.000) 32.966 1.594 ( 0.000 39.386 0.000) 39.386 2.640 ( 0.000 -18.814 0.000) 18.814 3.061 ( 0.000 -30.834 0.000) 30.834 3.329 ( 0.000 64.482 0.000) 64.482 4.048 ( 0.000 14.475 0.000) 14.475 4.389 ( 0.000 0.873 0.000) 0.873 4.410 ( 0.000 7.755 0.000) 7.755 4.512 ( 0.000 -4.892 0.000) 4.892 4.740 ( 0.000 -3.966 0.000) 3.966 4.801 ( 0.000 -20.731 0.000) 20.731 5.297 ( 0.000 -10.133 0.000) 10.133 5.625 ( 0.000 7.570 0.000) 7.570 5.626 ( 0.000 11.730 0.000) 11.730 5.838 ( 0.000 -3.614 0.000) 3.614 5.980 ( 0.000 15.678 0.000) 15.678 6.045 ( 0.000 -23.358 0.000) 23.358 6.173 ( 0.000 0.968 0.000) 0.968 6.180 ( 0.000 -0.321 0.000) 0.321 6.311 ( 0.000 17.529 0.000) 17.529 6.698 ( 0.000 -4.180 0.000) 4.180 6.826 ( 0.000 -16.893 0.000) 16.893 6.864 ( 0.000 -9.673 0.000) 9.673 6.926 ( 0.000 -12.408 0.000) 12.408 6.973 ( 0.000 27.003 0.000) 27.003 7.192 ( 0.000 2.218 0.000) 2.218 7.228 ( 0.000 6.532 0.000) 6.532 7.298 ( 0.000 0.190 0.000) 0.190 7.457 ( 0.000 8.781 0.000) 8.781 7.564 ( 0.000 -7.021 0.000) 7.021 7.893 ( 0.000 13.466 0.000) 13.466 7.963 ( 0.000 -4.906 0.000) 4.906 8.002 ( 0.000 -3.981 0.000) 3.981 8.029 ( 0.000 -8.888 0.000) 8.888 8.112 ( 0.000 9.287 0.000) 9.287 8.534 ( 0.000 1.366 0.000) 1.366 8.644 ( 0.000 -2.800 0.000) 2.800 8.711 ( 0.000 -19.351 0.000) 19.351 8.933 ( 0.000 -7.884 0.000) 7.884 9.057 ( 0.000 5.680 0.000) 5.680 9.140 ( 0.000 1.850 0.000) 1.850 9.186 ( 0.000 -32.896 0.000) 32.896 10.111 ( 0.000 7.754 0.000) 7.754 10.286 ( 0.000 -0.198 0.000) 0.198 10.860 ( 0.000 10.659 0.000) 10.659 11.195 ( 0.000 12.350 0.000) 12.350 11.447 ( 0.000 -14.270 0.000) 14.270 11.515 ( 0.000 0.790 0.000) 0.790 11.551 ( 0.000 18.466 0.000) 18.466 11.909 ( 0.000 1.752 0.000) 1.752 12.003 ( 0.000 -3.309 0.000) 3.309 12.246 ( 0.000 -2.017 0.000) 2.017 12.459 ( 0.000 4.216 0.000) 4.216 12.544 ( 0.000 8.500 0.000) 8.500 12.656 ( 0.000 3.900 0.000) 3.900 12.731 ( 0.000 -1.664 0.000) 1.664 12.949 ( 0.000 -11.374 0.000) 11.374 13.199 ( 0.000 -19.455 0.000) 19.455 13.498 ( 0.000 6.518 0.000) 6.518 13.687 ( 0.000 -9.625 0.000) 9.625 13.755 ( 0.000 -7.071 0.000) 7.071 13.764 ( 0.000 -10.515 0.000) 10.515 14.270 ( 0.000 5.174 0.000) 5.174 14.559 ( 0.000 -2.554 0.000) 2.554 14.662 ( 0.000 5.343 0.000) 5.343 14.716 ( 0.000 2.589 0.000) 2.589 14.929 ( 0.000 5.120 0.000) 5.120 15.051 ( 0.000 -1.750 0.000) 1.750 15.383 ( 0.000 6.220 0.000) 6.220 15.456 ( 0.000 9.533 0.000) 9.533 15.613 ( 0.000 10.007 0.000) 10.007 16.125 ( 0.000 19.206 0.000) 19.206 16.238 ( 0.000 -15.198 0.000) 15.198 16.329 ( 0.000 15.157 0.000) 15.157 16.459 ( 0.000 16.207 0.000) 16.207 16.599 ( 0.000 -7.420 0.000) 7.420 16.893 ( 0.000 -11.527 0.000) 11.527 17.401 ( 0.000 2.946 0.000) 2.946 17.494 ( 0.000 0.118 0.000) 0.118 17.500 ( 0.000 0.079 0.000) 0.079 18.461 ( 0.000 -23.055 0.000) 23.055 18.642 ( 0.000 3.839 0.000) 3.839 18.798 ( 0.000 -3.710 0.000) 3.710 19.045 ( 0.000 -29.109 0.000) 29.109 19.488 ( 0.000 10.475 0.000) 10.475 19.945 ( 0.000 -10.468 0.000) 10.468 20.821 ( 0.000 0.609 0.000) 0.609 20.865 ( 0.000 -1.920 0.000) 1.920 20.878 ( 0.000 12.762 0.000) 12.762 20.932 ( 0.000 9.312 0.000) 9.312 21.398 ( 0.000 8.085 0.000) 8.085 21.742 ( 0.000 -8.324 0.000) 8.324 22.256 ( 0.000 5.261 0.000) 5.261 22.491 ( 0.000 -5.543 0.000) 5.543 22.870 ( 0.000 1.455 0.000) 1.455 22.886 ( 0.000 0.871 0.000) 0.871 ======================= Grid point 15 (10/80) ======================= q-point: ( 0.14 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( 21.985 26.770 0.000) 34.641 1.748 ( 14.921 34.849 0.000) 37.909 2.742 ( 9.444 -21.122 0.000) 23.137 3.095 ( 3.055 -28.210 0.000) 28.375 3.450 ( 12.150 63.287 0.000) 64.443 4.006 ( -3.816 14.161 0.000) 14.666 4.309 ( -8.454 0.904 0.000) 8.502 4.388 ( -3.527 -4.763 0.000) 5.927 4.538 ( 5.036 5.742 0.000) 7.638 4.725 ( -6.874 -20.005 0.000) 21.153 4.773 ( 3.212 -2.665 0.000) 4.174 5.268 ( -2.741 -8.744 0.000) 9.164 5.566 ( -4.775 9.936 0.000) 11.024 5.617 ( -2.624 7.556 0.000) 7.999 5.880 ( 2.102 -4.939 0.000) 5.368 5.901 ( -10.436 -7.345 0.000) 12.762 5.981 ( 0.464 15.284 0.000) 15.291 6.221 ( 3.097 -1.885 0.000) 3.626 6.298 ( 8.324 -14.448 0.000) 16.674 6.330 ( 1.087 18.825 0.000) 18.857 6.553 ( -8.818 1.814 0.000) 9.002 6.655 ( -9.150 -12.080 0.000) 15.154 6.863 ( -0.967 -2.515 0.000) 2.694 7.001 ( 0.683 19.822 0.000) 19.834 7.027 ( 1.985 -14.834 0.000) 14.966 7.205 ( 1.158 0.685 0.000) 1.345 7.263 ( 1.255 4.308 0.000) 4.487 7.303 ( 1.783 -1.341 0.000) 2.231 7.352 ( -6.663 7.954 0.000) 10.376 7.581 ( 1.197 -2.042 0.000) 2.367 7.838 ( -8.396 4.944 0.000) 9.743 7.915 ( 0.821 7.067 0.000) 7.115 7.983 ( -1.695 -4.787 0.000) 5.078 8.022 ( -0.882 -8.466 0.000) 8.512 8.219 ( 6.568 -0.896 0.000) 6.629 8.536 ( 0.468 2.806 0.000) 2.845 8.647 ( 0.264 -1.380 0.000) 1.405 8.676 ( -3.381 -20.781 0.000) 21.054 8.965 ( 2.888 -9.321 0.000) 9.758 9.092 ( 3.290 4.612 0.000) 5.665 9.172 ( 2.863 1.196 0.000) 3.103 9.224 ( 4.034 -30.062 0.000) 30.331 10.030 ( -4.223 13.228 0.000) 13.885 10.414 ( 9.106 1.288 0.000) 9.196 10.708 ( -9.088 9.005 0.000) 12.794 11.232 ( -10.298 -11.706 0.000) 15.591 11.433 ( 8.616 1.384 0.000) 8.726 11.542 ( 0.698 -0.939 0.000) 1.170 11.589 ( 3.784 18.127 0.000) 18.518 11.960 ( 4.551 1.899 0.000) 4.931 12.080 ( 7.107 -2.153 0.000) 7.426 12.235 ( -1.774 3.826 0.000) 4.217 12.431 ( -1.512 -1.569 0.000) 2.179 12.534 ( -1.076 8.067 0.000) 8.138 12.673 ( 0.942 3.374 0.000) 3.503 12.694 ( -3.588 -0.879 0.000) 3.694 12.954 ( 0.550 -11.596 0.000) 11.609 13.177 ( -2.107 -18.867 0.000) 18.985 13.540 ( 4.119 6.892 0.000) 8.029 13.696 ( 0.918 -9.405 0.000) 9.450 13.773 ( 0.745 -10.678 0.000) 10.704 13.801 ( 4.390 -7.108 0.000) 8.354 14.265 ( -0.617 5.532 0.000) 5.566 14.501 ( -5.496 0.133 0.000) 5.498 14.673 ( 1.006 5.382 0.000) 5.475 14.720 ( 0.385 2.926 0.000) 2.951 14.929 ( -0.728 6.426 0.000) 6.467 15.049 ( 0.656 -3.472 0.000) 3.534 15.370 ( -1.164 5.569 0.000) 5.689 15.438 ( -1.757 7.227 0.000) 7.437 15.549 ( -6.218 8.084 0.000) 10.199 15.809 ( -22.541 4.551 0.000) 22.996 16.123 ( 0.046 21.647 0.000) 21.647 16.410 ( -3.962 18.626 0.000) 19.043 16.651 ( 13.998 1.601 0.000) 14.089 16.671 ( 6.253 -7.876 0.000) 10.056 16.906 ( 1.374 -4.864 0.000) 5.054 17.375 ( -2.679 0.718 0.000) 2.773 17.410 ( 0.226 3.347 0.000) 3.355 17.698 ( 9.822 -11.336 0.000) 14.999 18.492 ( 3.144 -22.711 0.000) 22.927 18.666 ( 2.035 3.901 0.000) 4.400 18.851 ( 5.104 -5.330 0.000) 7.380 19.019 ( -2.684 -28.583 0.000) 28.709 19.385 ( -9.126 12.373 0.000) 15.374 19.883 ( -6.312 -11.106 0.000) 12.775 20.835 ( 1.538 1.053 0.000) 1.864 20.881 ( 0.263 12.509 0.000) 12.511 20.896 ( 2.305 -2.159 0.000) 3.158 20.930 ( -0.265 9.406 0.000) 9.410 21.410 ( 1.476 7.086 0.000) 7.239 21.719 ( -2.168 -7.220 0.000) 7.539 22.227 ( -2.572 5.089 0.000) 5.702 22.407 ( -6.932 -1.697 0.000) 7.136 22.870 ( 0.032 1.431 0.000) 1.431 22.899 ( 0.960 0.521 0.000) 1.092 ======================= Grid point 16 (11/80) ======================= q-point: ( 0.29 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.128 ( 22.804 25.657 0.000) 34.326 2.166 ( 26.443 18.697 0.000) 32.386 2.932 ( 7.308 -17.912 0.000) 19.345 3.137 ( -0.717 -17.755 0.000) 17.770 3.756 ( 15.412 46.047 0.000) 48.557 3.956 ( 2.328 16.138 0.000) 16.305 4.104 ( -9.722 -4.974 0.000) 10.921 4.294 ( -6.452 -10.622 0.000) 12.428 4.578 ( -6.638 -16.250 0.000) 17.554 4.684 ( 9.304 8.392 0.000) 12.529 4.869 ( 6.458 1.400 0.000) 6.608 5.208 ( -3.337 -0.965 0.000) 3.473 5.437 ( -8.206 8.292 0.000) 11.666 5.518 ( -7.351 5.405 0.000) 9.124 5.614 ( -16.062 -9.351 0.000) 18.586 5.885 ( -7.303 -2.404 0.000) 7.688 6.010 ( 2.512 14.549 0.000) 14.764 6.208 ( -0.613 -2.190 0.000) 2.274 6.291 ( -5.432 15.127 0.000) 16.073 6.434 ( 3.924 -8.445 0.000) 9.312 6.532 ( 5.698 5.633 0.000) 8.013 6.582 ( 2.053 -4.005 0.000) 4.500 6.833 ( -2.655 -5.478 0.000) 6.088 6.965 ( -6.708 -8.113 0.000) 10.527 7.005 ( 2.959 20.769 0.000) 20.979 7.230 ( -0.485 3.325 0.000) 3.360 7.245 ( 2.988 -2.136 0.000) 3.673 7.303 ( -2.083 6.485 0.000) 6.811 7.359 ( 2.379 -7.976 0.000) 8.323 7.607 ( 1.547 -3.383 0.000) 3.720 7.668 ( -8.812 6.653 0.000) 11.042 7.898 ( -3.397 4.328 0.000) 5.501 7.949 ( -1.376 -5.675 0.000) 5.839 7.994 ( -1.759 -8.459 0.000) 8.640 8.314 ( 3.404 -11.289 0.000) 11.791 8.560 ( 1.939 4.971 0.000) 5.336 8.595 ( -4.563 -20.554 0.000) 21.054 8.650 ( -0.124 1.514 0.000) 1.519 9.047 ( 6.149 -10.255 0.000) 11.957 9.169 ( 4.120 2.549 0.000) 4.845 9.230 ( 2.593 0.286 0.000) 2.609 9.322 ( 4.529 -24.993 0.000) 25.400 9.994 ( 0.665 15.602 0.000) 15.616 10.469 ( -8.100 15.089 0.000) 17.126 10.666 ( 8.079 -11.465 0.000) 14.025 11.036 ( -7.572 -10.494 0.000) 12.941 11.455 ( -2.238 1.029 0.000) 2.464 11.587 ( -0.333 -5.698 0.000) 5.708 11.693 ( 6.696 17.278 0.000) 18.530 12.105 ( 9.877 3.395 0.000) 10.444 12.153 ( -6.432 12.734 0.000) 14.266 12.226 ( 7.045 -0.289 0.000) 7.050 12.443 ( 2.797 -9.092 0.000) 9.513 12.501 ( -2.394 6.466 0.000) 6.895 12.600 ( -5.845 0.280 0.000) 5.852 12.669 ( -1.581 0.106 0.000) 1.585 12.974 ( 1.541 -11.699 0.000) 11.800 13.124 ( -3.045 -16.894 0.000) 17.166 13.651 ( 6.988 7.803 0.000) 10.475 13.722 ( 1.669 -9.359 0.000) 9.507 13.785 ( 0.317 -10.769 0.000) 10.774 13.899 ( 4.659 -6.348 0.000) 7.874 14.236 ( -2.510 7.571 0.000) 7.976 14.370 ( -6.875 4.536 0.000) 8.237 14.698 ( 1.480 5.511 0.000) 5.706 14.729 ( 0.515 3.871 0.000) 3.906 14.907 ( -0.294 7.026 0.000) 7.032 15.090 ( 2.798 -5.356 0.000) 6.043 15.344 ( -1.336 3.586 0.000) 3.826 15.369 ( -11.397 7.948 0.000) 13.895 15.393 ( -2.639 2.959 0.000) 3.965 15.491 ( -9.814 3.460 0.000) 10.406 16.134 ( 1.193 26.403 0.000) 26.430 16.325 ( -4.537 24.583 0.000) 24.998 16.819 ( 8.513 -9.395 0.000) 12.678 16.831 ( 5.080 4.838 0.000) 7.015 16.944 ( 1.744 -0.990 0.000) 2.006 17.295 ( -5.579 -3.833 0.000) 6.768 17.505 ( 9.100 1.373 0.000) 9.203 17.838 ( 4.280 -13.942 0.000) 14.585 18.579 ( 5.573 -22.521 0.000) 23.200 18.705 ( 1.936 4.691 0.000) 5.075 18.943 ( -4.947 -27.153 0.000) 27.600 18.945 ( 1.385 -5.720 0.000) 5.885 19.220 ( -4.088 10.042 0.000) 10.842 19.713 ( -10.528 -11.579 0.000) 15.650 20.873 ( 2.038 1.367 0.000) 2.454 20.888 ( 0.485 11.848 0.000) 11.858 20.922 ( -0.486 9.711 0.000) 9.723 20.929 ( 0.828 -1.257 0.000) 1.505 21.461 ( 3.613 4.366 0.000) 5.667 21.668 ( -2.907 -4.437 0.000) 5.305 22.177 ( -2.084 4.603 0.000) 5.053 22.277 ( -5.679 1.806 0.000) 5.959 22.875 ( 0.496 0.769 0.000) 0.915 22.911 ( 0.168 -0.123 0.000) 0.209 ======================= Grid point 17 (12/80) ======================= q-point: ( 0.43 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.591 ( 23.413 15.585 0.000) 28.126 2.636 ( 20.589 11.935 0.000) 23.799 2.930 ( -8.353 -0.746 0.000) 8.386 2.987 ( -15.262 1.660 0.000) 15.352 3.934 ( 8.261 4.147 0.000) 9.243 4.024 ( 2.300 -14.577 0.000) 14.757 4.075 ( -1.543 8.781 0.000) 8.916 4.144 ( -8.168 -15.841 0.000) 17.823 4.624 ( 16.139 9.031 0.000) 18.494 4.880 ( 9.911 9.207 0.000) 13.527 4.983 ( 2.307 6.690 0.000) 7.077 5.030 ( -18.652 13.214 0.000) 22.858 5.288 ( -4.151 4.725 0.000) 6.290 5.355 ( -8.210 3.579 0.000) 8.956 5.431 ( 2.172 -11.576 0.000) 11.778 5.625 ( -14.792 -5.303 0.000) 15.714 6.077 ( 4.248 13.690 0.000) 14.334 6.174 ( -5.688 12.893 0.000) 14.092 6.289 ( 6.675 5.386 0.000) 8.577 6.412 ( -4.969 3.950 0.000) 6.348 6.670 ( 6.665 -0.513 0.000) 6.685 6.675 ( 6.446 -0.312 0.000) 6.454 6.768 ( -3.693 -3.419 0.000) 5.032 6.817 ( -7.826 -2.903 0.000) 8.347 7.126 ( 6.407 11.616 0.000) 13.266 7.230 ( -4.758 6.912 0.000) 8.391 7.299 ( 7.938 2.693 0.000) 8.382 7.312 ( 3.555 -5.838 0.000) 6.835 7.367 ( -1.576 -8.646 0.000) 8.788 7.490 ( -9.791 6.713 0.000) 11.872 7.657 ( 4.169 -4.787 0.000) 6.347 7.779 ( -7.657 -2.216 0.000) 7.972 7.939 ( 0.380 -7.056 0.000) 7.067 7.960 ( -1.600 -8.156 0.000) 8.311 8.389 ( 4.873 -16.155 0.000) 16.874 8.496 ( -5.591 -17.804 0.000) 18.661 8.603 ( 2.208 5.469 0.000) 5.898 8.638 ( -1.214 4.117 0.000) 4.292 9.204 ( 8.882 -11.983 0.000) 14.916 9.237 ( 2.520 0.894 0.000) 2.674 9.260 ( 0.216 0.118 0.000) 0.246 9.339 ( -3.582 -18.019 0.000) 18.372 10.068 ( 7.192 11.053 0.000) 13.187 10.259 ( -11.466 8.602 0.000) 14.334 10.833 ( 7.227 -9.281 0.000) 11.763 10.936 ( -3.919 -8.950 0.000) 9.770 11.443 ( 1.840 0.919 0.000) 2.057 11.521 ( -5.028 -3.188 0.000) 5.954 11.841 ( 8.230 16.250 0.000) 18.215 12.005 ( -8.284 15.133 0.000) 17.252 12.298 ( 9.009 3.345 0.000) 9.610 12.345 ( 4.969 3.398 0.000) 6.020 12.441 ( -3.612 2.942 0.000) 4.659 12.472 ( -7.050 -0.012 0.000) 7.050 12.521 ( 4.717 -8.476 0.000) 9.700 12.611 ( -4.110 -4.780 0.000) 6.304 13.013 ( 2.389 -12.171 0.000) 12.403 13.065 ( -2.911 -14.117 0.000) 14.414 13.756 ( 1.645 -9.843 0.000) 9.979 13.781 ( -0.790 -10.460 0.000) 10.490 13.799 ( 7.792 7.479 0.000) 10.800 13.924 ( -3.447 0.728 0.000) 3.523 14.202 ( 0.815 7.344 0.000) 7.389 14.262 ( -4.377 4.264 0.000) 6.111 14.724 ( 1.054 5.546 0.000) 5.645 14.735 ( -0.047 4.992 0.000) 4.992 14.950 ( 4.832 5.018 0.000) 6.966 15.075 ( -6.299 0.686 0.000) 6.336 15.251 ( 1.830 2.005 0.000) 2.714 15.328 ( -0.055 1.232 0.000) 1.233 15.343 ( -6.250 0.194 0.000) 6.253 15.346 ( -1.853 0.591 0.000) 1.945 16.173 ( 2.758 29.425 0.000) 29.554 16.240 ( -4.014 28.822 0.000) 29.100 16.901 ( 2.809 4.750 0.000) 5.518 16.945 ( -1.493 1.793 0.000) 2.333 16.993 ( 9.035 -9.430 0.000) 13.059 17.161 ( -7.954 -7.583 0.000) 10.989 17.713 ( 10.385 -3.222 0.000) 10.873 17.853 ( -3.183 -9.480 0.000) 10.000 18.701 ( 6.688 -23.438 0.000) 24.374 18.751 ( 3.300 6.019 0.000) 6.864 18.831 ( -6.397 -25.227 0.000) 26.025 18.853 ( -7.033 5.445 0.000) 8.895 19.298 ( 8.901 -5.802 0.000) 10.625 19.497 ( -11.032 -10.615 0.000) 15.310 20.899 ( 0.615 11.018 0.000) 11.035 20.908 ( 1.486 1.026 0.000) 1.806 20.911 ( -0.615 10.258 0.000) 10.276 20.929 ( -0.654 0.095 0.000) 0.661 21.538 ( 3.961 1.533 0.000) 4.248 21.608 ( -3.224 -1.266 0.000) 3.464 22.158 ( 0.356 3.834 0.000) 3.850 22.192 ( -3.071 3.019 0.000) 4.306 22.888 ( 0.872 -0.134 0.000) 0.882 22.905 ( -0.709 -0.489 0.000) 0.861 ======================= Grid point 21 (13/80) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.072 ( 0.000 -31.209 0.000) 31.209 2.072 ( 0.000 31.209 0.000) 31.209 2.368 ( 0.000 -37.203 0.000) 37.203 2.368 ( 0.000 37.203 0.000) 37.203 4.386 ( 0.000 -17.357 0.000) 17.357 4.386 ( 0.000 17.357 0.000) 17.357 4.396 ( 0.000 -1.093 0.000) 1.093 4.396 ( 0.000 1.093 0.000) 1.093 4.631 ( 0.000 -7.370 0.000) 7.370 4.631 ( 0.000 7.370 0.000) 7.370 4.642 ( 0.000 -54.331 0.000) 54.331 4.642 ( 0.000 54.331 0.000) 54.331 5.728 ( 0.000 -1.302 0.000) 1.302 5.728 ( 0.000 1.302 0.000) 1.302 5.755 ( 0.000 -0.205 0.000) 0.205 5.755 ( 0.000 0.205 0.000) 0.205 6.205 ( 0.000 -0.586 0.000) 0.586 6.205 ( 0.000 0.586 0.000) 0.586 6.373 ( 0.000 -19.751 0.000) 19.751 6.373 ( 0.000 19.751 0.000) 19.751 6.673 ( 0.000 -11.509 0.000) 11.509 6.673 ( 0.000 11.509 0.000) 11.509 6.709 ( 0.000 -4.839 0.000) 4.839 6.709 ( 0.000 4.839 0.000) 4.839 7.260 ( 0.000 -3.694 0.000) 3.694 7.260 ( 0.000 3.694 0.000) 3.694 7.278 ( 0.000 -0.958 0.000) 0.958 7.278 ( 0.000 0.958 0.000) 0.958 7.587 ( 0.000 -2.133 0.000) 2.133 7.587 ( 0.000 2.133 0.000) 2.133 7.938 ( 0.000 -0.482 0.000) 0.482 7.938 ( 0.000 0.482 0.000) 0.482 7.984 ( 0.000 -8.992 0.000) 8.992 7.984 ( 0.000 8.992 0.000) 8.992 8.293 ( 0.000 -18.063 0.000) 18.063 8.293 ( 0.000 18.063 0.000) 18.063 8.586 ( 0.000 -3.051 0.000) 3.051 8.586 ( 0.000 3.051 0.000) 3.051 8.837 ( 0.000 -0.329 0.000) 0.329 8.837 ( 0.000 0.329 0.000) 0.329 9.137 ( 0.000 -2.151 0.000) 2.151 9.137 ( 0.000 2.151 0.000) 2.151 10.244 ( 0.000 -4.551 0.000) 4.551 10.244 ( 0.000 4.551 0.000) 4.551 11.112 ( 0.000 -13.794 0.000) 13.794 11.112 ( 0.000 13.794 0.000) 13.794 11.441 ( 0.000 -7.148 0.000) 7.148 11.441 ( 0.000 7.148 0.000) 7.148 11.946 ( 0.000 -2.255 0.000) 2.255 11.946 ( 0.000 2.255 0.000) 2.255 11.955 ( 0.000 -20.249 0.000) 20.249 11.955 ( 0.000 20.249 0.000) 20.249 12.676 ( 0.000 -4.452 0.000) 4.452 12.676 ( 0.000 4.452 0.000) 4.452 12.692 ( 0.000 -6.544 0.000) 6.544 12.692 ( 0.000 6.544 0.000) 6.544 12.850 ( 0.000 -7.487 0.000) 7.487 12.850 ( 0.000 7.487 0.000) 7.487 13.620 ( 0.000 -2.648 0.000) 2.648 13.620 ( 0.000 2.648 0.000) 2.648 13.626 ( 0.000 -6.156 0.000) 6.156 13.626 ( 0.000 6.156 0.000) 6.156 14.417 ( 0.000 -8.785 0.000) 8.785 14.417 ( 0.000 8.785 0.000) 8.785 14.730 ( 0.000 -1.290 0.000) 1.290 14.730 ( 0.000 1.290 0.000) 1.290 15.015 ( 0.000 -3.036 0.000) 3.036 15.015 ( 0.000 3.036 0.000) 3.036 15.487 ( 0.000 -3.355 0.000) 3.355 15.487 ( 0.000 3.355 0.000) 3.355 15.902 ( 0.000 -17.114 0.000) 17.114 15.902 ( 0.000 17.114 0.000) 17.114 16.427 ( 0.000 -10.275 0.000) 10.275 16.427 ( 0.000 10.275 0.000) 10.275 16.629 ( 0.000 -14.373 0.000) 14.373 16.629 ( 0.000 14.373 0.000) 14.373 17.013 ( 0.000 -33.500 0.000) 33.500 17.013 ( 0.000 33.500 0.000) 33.500 17.498 ( 0.000 -0.190 0.000) 0.190 17.498 ( 0.000 0.190 0.000) 0.190 18.512 ( 0.000 -21.370 0.000) 21.370 18.512 ( 0.000 21.370 0.000) 21.370 18.721 ( 0.000 -3.924 0.000) 3.924 18.721 ( 0.000 3.924 0.000) 3.924 19.716 ( 0.000 -11.836 0.000) 11.836 19.716 ( 0.000 11.836 0.000) 11.836 20.837 ( 0.000 -1.022 0.000) 1.022 20.837 ( 0.000 1.022 0.000) 1.022 21.017 ( 0.000 -1.158 0.000) 1.158 21.017 ( 0.000 1.158 0.000) 1.158 21.568 ( 0.000 -8.752 0.000) 8.752 21.568 ( 0.000 8.752 0.000) 8.752 22.371 ( 0.000 -6.075 0.000) 6.075 22.371 ( 0.000 6.075 0.000) 6.075 22.891 ( 0.000 -0.431 0.000) 0.431 22.891 ( 0.000 0.431 0.000) 0.431 ======================= Grid point 23 (14/80) ======================= q-point: ( 0.14 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.217 ( 13.819 -27.509 0.000) 30.785 2.217 ( 13.819 27.509 0.000) 30.785 2.453 ( 8.382 -34.509 0.000) 35.512 2.453 ( 8.382 34.509 0.000) 35.512 4.318 ( -7.639 -1.796 0.000) 7.847 4.318 ( -7.639 1.796 0.000) 7.847 4.333 ( -5.922 -18.353 0.000) 19.285 4.333 ( -5.922 18.353 0.000) 19.285 4.677 ( 4.592 -51.197 0.000) 51.402 4.677 ( 4.592 51.197 0.000) 51.402 4.686 ( 5.378 -6.503 0.000) 8.439 4.686 ( 5.378 6.503 0.000) 8.439 5.688 ( -4.333 -1.600 0.000) 4.619 5.688 ( -4.333 1.600 0.000) 4.619 5.778 ( -0.082 -4.554 0.000) 4.554 5.778 ( -0.082 4.554 0.000) 4.554 6.187 ( -0.296 -0.947 0.000) 0.992 6.187 ( -0.296 0.947 0.000) 0.992 6.338 ( -2.741 -18.299 0.000) 18.503 6.338 ( -2.741 18.299 0.000) 18.503 6.684 ( -1.385 -9.180 0.000) 9.284 6.684 ( -1.385 9.180 0.000) 9.284 6.692 ( 1.428 -17.315 0.000) 17.374 6.692 ( 1.428 17.315 0.000) 17.374 7.259 ( 0.010 -3.532 0.000) 3.532 7.259 ( 0.010 3.532 0.000) 3.532 7.302 ( 1.283 -4.007 0.000) 4.207 7.302 ( 1.283 4.007 0.000) 4.207 7.557 ( -2.454 -9.900 0.000) 10.200 7.557 ( -2.454 9.900 0.000) 10.200 7.922 ( -1.526 -1.057 0.000) 1.856 7.922 ( -1.526 1.057 0.000) 1.856 7.949 ( -3.589 -15.916 0.000) 16.316 7.949 ( -3.589 15.916 0.000) 16.316 8.255 ( -3.526 -17.784 0.000) 18.130 8.255 ( -3.526 17.784 0.000) 18.130 8.602 ( 1.578 -3.078 0.000) 3.459 8.602 ( 1.578 3.078 0.000) 3.459 8.893 ( 5.367 -4.057 0.000) 6.728 8.893 ( 5.367 4.057 0.000) 6.728 9.163 ( 2.353 -2.149 0.000) 3.187 9.163 ( 2.353 2.149 0.000) 3.187 10.287 ( 3.776 -11.150 0.000) 11.772 10.287 ( 3.776 11.150 0.000) 11.772 10.966 ( -11.159 -14.082 0.000) 17.967 10.966 ( -11.159 14.082 0.000) 17.967 11.490 ( 2.281 -3.554 0.000) 4.223 11.490 ( 2.281 3.554 0.000) 4.223 11.986 ( 3.071 -19.840 0.000) 20.076 11.986 ( 3.071 19.840 0.000) 20.076 12.020 ( 7.005 -3.528 0.000) 7.843 12.020 ( 7.005 3.528 0.000) 7.843 12.638 ( -4.916 -11.449 0.000) 12.460 12.638 ( -4.916 11.449 0.000) 12.460 12.656 ( -2.070 -3.768 0.000) 4.299 12.656 ( -2.070 3.768 0.000) 4.299 12.871 ( 1.618 -6.879 0.000) 7.067 12.871 ( 1.618 6.879 0.000) 7.067 13.629 ( 0.813 -2.557 0.000) 2.683 13.629 ( 0.813 2.557 0.000) 2.683 13.670 ( 4.327 -6.253 0.000) 7.604 13.670 ( 4.327 6.253 0.000) 7.604 14.406 ( -1.262 -7.542 0.000) 7.647 14.406 ( -1.262 7.542 0.000) 7.647 14.739 ( 0.892 -1.140 0.000) 1.448 14.739 ( 0.892 1.140 0.000) 1.448 15.006 ( -0.696 -2.167 0.000) 2.276 15.006 ( -0.696 2.167 0.000) 2.276 15.459 ( -2.699 -2.843 0.000) 3.920 15.459 ( -2.699 2.843 0.000) 3.920 15.745 ( -12.768 -9.111 0.000) 15.685 15.745 ( -12.768 9.111 0.000) 15.685 16.466 ( 3.850 -11.918 0.000) 12.524 16.466 ( 3.850 11.918 0.000) 12.524 16.754 ( 9.369 -8.047 0.000) 12.351 16.754 ( 9.369 8.047 0.000) 12.351 16.991 ( -2.283 -32.709 0.000) 32.789 16.991 ( -2.283 32.709 0.000) 32.789 17.522 ( 2.670 -7.060 0.000) 7.548 17.522 ( 2.670 7.060 0.000) 7.548 18.509 ( -0.256 -19.319 0.000) 19.320 18.509 ( -0.256 19.319 0.000) 19.320 18.751 ( 2.848 -4.593 0.000) 5.404 18.751 ( 2.848 4.593 0.000) 5.404 19.639 ( -7.352 -12.729 0.000) 14.700 19.639 ( -7.352 12.729 0.000) 14.700 20.860 ( 2.071 -1.459 0.000) 2.533 20.860 ( 2.071 1.459 0.000) 2.533 21.016 ( -0.068 -1.050 0.000) 1.052 21.016 ( -0.068 1.050 0.000) 1.052 21.564 ( -0.297 -7.949 0.000) 7.954 21.564 ( -0.297 7.949 0.000) 7.954 22.332 ( -3.534 -5.003 0.000) 6.125 22.332 ( -3.534 5.003 0.000) 6.125 22.895 ( 0.268 -0.867 0.000) 0.908 22.895 ( 0.268 0.867 0.000) 0.908 ======================= Grid point 25 (15/80) ======================= q-point: ( 0.29 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.549 ( 18.246 -19.407 0.000) 26.637 2.549 ( 18.246 19.407 0.000) 26.637 2.669 ( 12.726 -26.799 0.000) 29.667 2.669 ( 12.726 26.799 0.000) 29.667 4.121 ( -11.698 -5.801 0.000) 13.057 4.121 ( -11.698 5.801 0.000) 13.057 4.175 ( -9.157 -13.624 0.000) 16.415 4.175 ( -9.157 13.624 0.000) 16.415 4.828 ( 10.421 -36.681 0.000) 38.132 4.828 ( 10.421 36.681 0.000) 38.132 4.831 ( 9.166 -5.206 0.000) 10.541 4.831 ( 9.166 5.206 0.000) 10.541 5.556 ( -8.941 -2.294 0.000) 9.231 5.556 ( -8.941 2.294 0.000) 9.231 5.654 ( -12.269 -13.391 0.000) 18.162 5.654 ( -12.269 13.391 0.000) 18.162 6.263 ( 7.444 -6.111 0.000) 9.630 6.263 ( 7.444 6.111 0.000) 9.630 6.296 ( -1.308 -12.192 0.000) 12.262 6.296 ( -1.308 12.192 0.000) 12.262 6.680 ( 0.763 -8.205 0.000) 8.240 6.680 ( 0.763 8.205 0.000) 8.240 6.711 ( 0.375 -14.776 0.000) 14.781 6.711 ( 0.375 14.776 0.000) 14.781 7.262 ( 0.279 -3.041 0.000) 3.054 7.262 ( 0.279 3.041 0.000) 3.054 7.300 ( -1.243 -5.032 0.000) 5.184 7.300 ( -1.243 5.032 0.000) 5.184 7.520 ( -0.780 -14.296 0.000) 14.317 7.520 ( -0.780 14.296 0.000) 14.317 7.843 ( -7.303 -21.378 0.000) 22.591 7.843 ( -7.303 21.378 0.000) 22.591 7.886 ( -1.864 -1.309 0.000) 2.278 7.886 ( -1.864 1.309 0.000) 2.278 8.179 ( -3.640 -18.965 0.000) 19.311 8.179 ( -3.640 18.965 0.000) 19.311 8.641 ( 2.074 -2.483 0.000) 3.235 8.641 ( 2.074 2.483 0.000) 3.235 9.025 ( 7.452 -6.463 0.000) 9.864 9.025 ( 7.452 6.463 0.000) 9.864 9.215 ( 2.624 -1.748 0.000) 3.153 9.215 ( 2.624 1.748 0.000) 3.153 10.343 ( 0.432 -17.755 0.000) 17.760 10.343 ( 0.432 17.755 0.000) 17.760 10.783 ( -5.561 -14.192 0.000) 15.243 10.783 ( -5.561 14.192 0.000) 15.243 11.497 ( -1.174 -3.393 0.000) 3.591 11.497 ( -1.174 3.393 0.000) 3.591 12.071 ( 5.456 -18.539 0.000) 19.326 12.071 ( 5.456 18.539 0.000) 19.326 12.183 ( 8.842 -3.531 0.000) 9.520 12.183 ( 8.842 3.531 0.000) 9.520 12.521 ( -6.767 -14.298 0.000) 15.818 12.521 ( -6.767 14.298 0.000) 15.818 12.594 ( -4.210 -2.199 0.000) 4.749 12.594 ( -4.210 2.199 0.000) 4.749 12.899 ( 1.113 -4.347 0.000) 4.487 12.899 ( 1.113 4.347 0.000) 4.487 13.648 ( 0.935 -2.004 0.000) 2.212 13.648 ( 0.935 2.004 0.000) 2.212 13.779 ( 6.272 -5.709 0.000) 8.481 13.779 ( 6.272 5.709 0.000) 8.481 14.365 ( -2.890 -4.479 0.000) 5.330 14.365 ( -2.890 4.479 0.000) 5.330 14.762 ( 1.349 -0.779 0.000) 1.558 14.762 ( 1.349 0.779 0.000) 1.558 15.004 ( 0.843 -3.638 0.000) 3.734 15.004 ( 0.843 3.638 0.000) 3.734 15.395 ( -3.387 -1.766 0.000) 3.820 15.395 ( -3.387 1.766 0.000) 3.820 15.495 ( -11.731 -3.539 0.000) 12.253 15.495 ( -11.731 3.539 0.000) 12.253 16.566 ( 6.115 -15.999 0.000) 17.127 16.566 ( 6.115 15.999 0.000) 17.127 16.903 ( 5.150 -2.918 0.000) 5.919 16.903 ( 5.150 2.918 0.000) 5.919 16.925 ( -4.360 -30.241 0.000) 30.554 16.925 ( -4.360 30.241 0.000) 30.554 17.609 ( 5.919 -8.686 0.000) 10.511 17.609 ( 5.919 8.686 0.000) 10.511 18.503 ( -0.322 -13.471 0.000) 13.474 18.503 ( -0.322 13.471 0.000) 13.474 18.815 ( 3.271 -6.197 0.000) 7.007 18.815 ( 3.271 6.197 0.000) 7.007 19.462 ( -9.736 -12.847 0.000) 16.119 19.462 ( -9.736 12.847 0.000) 16.119 20.901 ( 1.795 -1.434 0.000) 2.297 20.901 ( 1.795 1.434 0.000) 2.297 21.015 ( -0.084 -0.736 0.000) 0.741 21.015 ( -0.084 0.736 0.000) 0.741 21.564 ( 0.395 -5.480 0.000) 5.494 21.564 ( 0.395 5.480 0.000) 5.494 22.259 ( -3.339 -3.103 0.000) 4.558 22.259 ( -3.339 3.103 0.000) 4.558 22.896 ( -0.149 -1.174 0.000) 1.183 22.896 ( -0.149 1.174 0.000) 1.183 ======================= Grid point 27 (16/80) ======================= q-point: ( 0.43 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.842 ( 9.268 -7.899 0.000) 12.177 2.842 ( 9.268 7.899 0.000) 12.177 2.890 ( 7.690 -11.799 0.000) 14.084 2.890 ( 7.690 11.799 0.000) 14.084 3.915 ( -7.240 -4.687 0.000) 8.624 3.915 ( -7.240 4.687 0.000) 8.624 4.022 ( -5.097 -6.205 0.000) 8.030 4.022 ( -5.097 6.205 0.000) 8.030 5.019 ( 8.508 -3.355 0.000) 9.145 5.019 ( 8.508 3.355 0.000) 9.145 5.067 ( 13.591 -23.827 0.000) 27.430 5.067 ( 13.591 23.827 0.000) 27.430 5.368 ( -8.604 -2.363 0.000) 8.923 5.368 ( -8.604 2.363 0.000) 8.923 5.369 ( -15.351 -17.608 0.000) 23.360 5.369 ( -15.351 17.608 0.000) 23.360 6.284 ( -0.184 -4.200 0.000) 4.204 6.284 ( -0.184 4.200 0.000) 4.204 6.400 ( 4.703 -4.418 0.000) 6.453 6.400 ( 4.703 4.418 0.000) 6.453 6.694 ( 0.347 -3.079 0.000) 3.098 6.694 ( 0.347 3.079 0.000) 3.098 6.712 ( -0.118 -5.452 0.000) 5.454 6.712 ( -0.118 5.452 0.000) 5.454 7.268 ( 0.228 -1.361 0.000) 1.380 7.268 ( 0.228 1.361 0.000) 1.380 7.276 ( -0.832 -2.302 0.000) 2.448 7.276 ( -0.832 2.302 0.000) 2.448 7.544 ( 3.514 -9.385 0.000) 10.022 7.544 ( 3.514 9.385 0.000) 10.022 7.682 ( -7.991 -11.756 0.000) 14.215 7.682 ( -7.991 11.756 0.000) 14.215 7.858 ( -0.825 -0.632 0.000) 1.039 7.858 ( -0.825 0.632 0.000) 1.039 8.130 ( -1.223 -8.398 0.000) 8.487 8.130 ( -1.223 8.398 0.000) 8.487 8.672 ( 0.938 -0.953 0.000) 1.337 8.672 ( 0.938 0.953 0.000) 1.337 9.146 ( 3.884 -3.437 0.000) 5.187 9.146 ( 3.884 3.437 0.000) 5.187 9.253 ( 1.079 -0.683 0.000) 1.277 9.253 ( 1.079 0.683 0.000) 1.277 10.300 ( -2.772 -8.002 0.000) 8.469 10.300 ( -2.772 8.002 0.000) 8.469 10.756 ( 0.799 -5.439 0.000) 5.497 10.756 ( 0.799 5.439 0.000) 5.497 11.468 ( -1.166 -1.890 0.000) 2.221 11.468 ( -1.166 1.890 0.000) 2.221 12.185 ( 5.357 -13.581 0.000) 14.599 12.185 ( 5.357 13.581 0.000) 14.599 12.345 ( 7.371 -1.666 0.000) 7.557 12.345 ( 7.371 1.666 0.000) 7.557 12.390 ( -5.785 -12.276 0.000) 13.571 12.390 ( -5.785 12.276 0.000) 13.571 12.495 ( -5.729 -0.498 0.000) 5.750 12.495 ( -5.729 0.498 0.000) 5.750 12.913 ( 0.368 -1.451 0.000) 1.497 12.913 ( 0.368 1.451 0.000) 1.497 13.661 ( 0.390 -0.775 0.000) 0.867 13.661 ( 0.390 0.775 0.000) 0.867 13.884 ( 3.495 -2.751 0.000) 4.447 13.884 ( 3.495 2.751 0.000) 4.447 14.308 ( -2.156 -1.516 0.000) 2.636 14.308 ( -2.156 1.516 0.000) 2.636 14.784 ( 0.718 -0.290 0.000) 0.775 14.784 ( 0.718 0.290 0.000) 0.775 15.039 ( 2.097 -3.611 0.000) 4.175 15.039 ( 2.097 3.611 0.000) 4.175 15.314 ( -5.887 -3.045 0.000) 6.628 15.314 ( -5.887 3.045 0.000) 6.628 15.343 ( -1.565 -0.598 0.000) 1.676 15.343 ( -1.565 0.598 0.000) 1.676 16.693 ( 6.447 -20.293 0.000) 21.292 16.693 ( 6.447 20.293 0.000) 21.292 16.825 ( -5.721 -25.350 0.000) 25.988 16.825 ( -5.721 25.350 0.000) 25.988 16.960 ( 1.180 -0.889 0.000) 1.477 16.960 ( 1.180 0.889 0.000) 1.477 17.713 ( 3.475 -3.725 0.000) 5.094 17.713 ( 3.475 3.725 0.000) 5.094 18.498 ( -0.144 -4.837 0.000) 4.839 18.498 ( -0.144 4.837 0.000) 4.839 18.866 ( 1.562 -4.198 0.000) 4.479 18.866 ( 1.562 4.198 0.000) 4.479 19.307 ( -4.880 -6.781 0.000) 8.355 19.307 ( -4.880 6.781 0.000) 8.355 20.924 ( 0.562 -0.566 0.000) 0.798 20.924 ( 0.562 0.566 0.000) 0.798 21.013 ( -0.037 -0.265 0.000) 0.268 21.013 ( -0.037 0.265 0.000) 0.268 21.575 ( 0.444 -1.911 0.000) 1.961 21.575 ( 0.444 1.911 0.000) 1.961 22.213 ( -1.244 -1.086 0.000) 1.652 22.213 ( -1.244 1.086 0.000) 1.652 22.892 ( -0.176 -0.555 0.000) 0.583 22.892 ( -0.176 0.555 0.000) 0.583 ======================= Grid point 49 (17/80) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.738 ( 0.000 0.000 38.143) 38.143 0.768 ( 0.000 0.000 39.666) 39.666 1.550 ( 0.000 0.000 78.598) 78.598 3.421 ( 0.000 0.000 -0.974) 0.974 3.731 ( 0.000 0.000 -0.969) 0.969 4.073 ( 0.000 0.000 6.863) 6.863 4.111 ( 0.000 0.000 26.526) 26.526 4.299 ( 0.000 0.000 4.020) 4.020 5.091 ( 0.000 0.000 20.830) 20.830 5.097 ( 0.000 0.000 2.512) 2.512 5.199 ( 0.000 0.000 -7.381) 7.381 5.234 ( 0.000 0.000 -12.413) 12.413 5.440 ( 0.000 0.000 -8.623) 8.623 5.496 ( 0.000 0.000 5.114) 5.114 5.498 ( 0.000 0.000 -12.985) 12.985 5.644 ( 0.000 0.000 3.527) 3.527 5.674 ( 0.000 0.000 1.509) 1.509 5.829 ( 0.000 0.000 0.574) 0.574 6.389 ( 0.000 0.000 4.176) 4.176 6.499 ( 0.000 0.000 0.116) 0.116 6.563 ( 0.000 0.000 1.483) 1.483 6.581 ( 0.000 0.000 -1.509) 1.509 6.870 ( 0.000 0.000 -20.139) 20.139 7.064 ( 0.000 0.000 9.549) 9.549 7.089 ( 0.000 0.000 -9.032) 9.032 7.109 ( 0.000 0.000 -1.980) 1.980 7.251 ( 0.000 0.000 -2.530) 2.530 7.302 ( 0.000 0.000 4.113) 4.113 7.555 ( 0.000 0.000 11.576) 11.576 7.574 ( 0.000 0.000 -1.886) 1.886 7.742 ( 0.000 0.000 19.670) 19.670 7.922 ( 0.000 0.000 -13.926) 13.926 8.036 ( 0.000 0.000 3.483) 3.483 8.382 ( 0.000 0.000 4.115) 4.115 8.604 ( 0.000 0.000 -5.647) 5.647 8.652 ( 0.000 0.000 -5.030) 5.030 8.828 ( 0.000 0.000 -7.440) 7.440 8.884 ( 0.000 0.000 8.096) 8.096 8.891 ( 0.000 0.000 4.122) 4.122 9.035 ( 0.000 0.000 3.457) 3.457 9.356 ( 0.000 0.000 -0.150) 0.150 9.647 ( 0.000 0.000 2.487) 2.487 9.908 ( 0.000 0.000 -1.032) 1.032 10.209 ( 0.000 0.000 -1.539) 1.539 10.646 ( 0.000 0.000 1.499) 1.499 10.893 ( 0.000 0.000 -6.482) 6.482 10.895 ( 0.000 0.000 -2.766) 2.766 11.179 ( 0.000 0.000 2.287) 2.287 11.737 ( 0.000 0.000 -10.546) 10.546 11.935 ( 0.000 0.000 -10.444) 10.444 11.960 ( 0.000 0.000 -1.031) 1.031 12.283 ( 0.000 0.000 7.701) 7.701 12.508 ( 0.000 0.000 6.429) 6.429 12.509 ( 0.000 0.000 -2.936) 2.936 12.710 ( 0.000 0.000 14.509) 14.509 12.869 ( 0.000 0.000 6.948) 6.948 13.079 ( 0.000 0.000 -13.728) 13.728 13.295 ( 0.000 0.000 -1.267) 1.267 13.560 ( 0.000 0.000 10.144) 10.144 13.587 ( 0.000 0.000 -17.949) 17.949 13.855 ( 0.000 0.000 -6.340) 6.340 13.984 ( 0.000 0.000 -15.020) 15.020 14.098 ( 0.000 0.000 -9.559) 9.559 14.501 ( 0.000 0.000 3.853) 3.853 14.676 ( 0.000 0.000 17.865) 17.865 14.797 ( 0.000 0.000 14.007) 14.007 14.895 ( 0.000 0.000 28.106) 28.106 15.120 ( 0.000 0.000 -1.499) 1.499 15.136 ( 0.000 0.000 12.783) 12.783 15.207 ( 0.000 0.000 -2.092) 2.092 15.562 ( 0.000 0.000 2.556) 2.556 15.806 ( 0.000 0.000 -6.505) 6.505 15.895 ( 0.000 0.000 3.499) 3.499 16.199 ( 0.000 0.000 -0.484) 0.484 16.633 ( 0.000 0.000 -12.040) 12.040 16.843 ( 0.000 0.000 -0.751) 0.751 16.959 ( 0.000 0.000 2.241) 2.241 17.435 ( 0.000 0.000 0.369) 0.369 17.503 ( 0.000 0.000 0.990) 0.990 18.568 ( 0.000 0.000 1.785) 1.785 18.712 ( 0.000 0.000 -6.672) 6.672 18.935 ( 0.000 0.000 3.161) 3.161 19.050 ( 0.000 0.000 4.145) 4.145 19.139 ( 0.000 0.000 -9.135) 9.135 19.995 ( 0.000 0.000 6.474) 6.474 20.113 ( 0.000 0.000 6.316) 6.316 20.173 ( 0.000 0.000 -0.712) 0.712 20.419 ( 0.000 0.000 7.131) 7.131 20.786 ( 0.000 0.000 -2.229) 2.229 20.943 ( 0.000 0.000 -1.419) 1.419 21.519 ( 0.000 0.000 1.749) 1.749 21.679 ( 0.000 0.000 -2.759) 2.759 21.931 ( 0.000 0.000 -3.175) 3.175 22.076 ( 0.000 0.000 -4.445) 4.445 22.812 ( 0.000 0.000 -1.313) 1.313 22.820 ( 0.000 0.000 -2.725) 2.725 ======================= Grid point 50 (18/80) ======================= q-point: ( 0.14 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( 28.370 0.000 26.686) 38.949 1.120 ( 30.334 0.000 24.671) 39.100 1.923 ( 34.863 0.000 61.530) 70.721 3.490 ( 6.247 0.000 -2.682) 6.798 3.639 ( -9.525 0.000 -0.270) 9.529 3.989 ( -11.905 0.000 24.565) 27.298 4.122 ( 4.909 0.000 4.359) 6.565 4.351 ( 4.752 0.000 3.059) 5.652 4.979 ( -6.309 0.000 5.546) 8.401 5.067 ( -2.284 0.000 20.577) 20.704 5.196 ( -3.761 0.000 -12.019) 12.594 5.226 ( -2.042 0.000 -10.456) 10.654 5.424 ( -2.946 0.000 -7.551) 8.105 5.466 ( -2.639 0.000 4.582) 5.288 5.474 ( -4.103 0.000 -7.960) 8.955 5.629 ( -1.218 0.000 2.937) 3.179 5.630 ( 0.859 0.000 1.464) 1.697 5.896 ( 1.248 0.000 1.663) 2.079 6.367 ( -2.391 0.000 3.059) 3.882 6.473 ( -7.103 0.000 0.904) 7.160 6.593 ( 1.473 0.000 -3.154) 3.481 6.625 ( 6.805 0.000 -2.540) 7.263 6.745 ( -7.784 0.000 -11.170) 13.614 7.005 ( -2.281 0.000 4.431) 4.984 7.078 ( -0.245 0.000 -4.954) 4.960 7.218 ( 5.333 0.000 -7.535) 9.231 7.247 ( -4.507 0.000 4.438) 6.325 7.350 ( 4.793 0.000 -1.068) 4.910 7.447 ( -8.262 0.000 7.984) 11.489 7.537 ( -0.933 0.000 -1.924) 2.139 7.764 ( 4.545 0.000 17.187) 17.778 7.948 ( 1.604 0.000 -10.407) 10.529 8.073 ( 1.355 0.000 4.719) 4.910 8.311 ( -5.891 0.000 1.849) 6.175 8.534 ( -6.199 0.000 3.215) 6.983 8.588 ( -4.744 0.000 -2.476) 5.352 8.609 ( -6.592 0.000 3.675) 7.547 8.827 ( -4.234 0.000 5.533) 6.968 8.991 ( 7.316 0.000 3.829) 8.257 9.095 ( 5.058 0.000 2.135) 5.490 9.464 ( 9.730 0.000 -0.846) 9.767 9.661 ( 1.158 0.000 2.329) 2.601 9.972 ( 6.233 0.000 -1.013) 6.315 10.287 ( 7.909 0.000 -2.094) 8.181 10.841 ( -4.749 0.000 -6.479) 8.033 10.872 ( -1.437 0.000 -2.992) 3.319 11.232 ( 5.034 0.000 2.525) 5.632 11.263 ( 31.683 0.000 -31.389) 44.599 11.549 ( -13.281 0.000 -8.376) 15.702 11.887 ( -4.996 0.000 -9.774) 10.977 12.122 ( 10.349 0.000 -3.892) 11.056 12.261 ( -1.918 0.000 5.050) 5.402 12.428 ( -5.651 0.000 4.170) 7.023 12.531 ( 1.798 0.000 -1.383) 2.268 12.802 ( 6.252 0.000 11.176) 12.806 12.861 ( -0.814 0.000 8.659) 8.698 13.067 ( -0.822 0.000 -15.522) 15.543 13.264 ( -2.674 0.000 -4.935) 5.613 13.565 ( 0.497 0.000 10.085) 10.097 13.603 ( 1.307 0.000 -11.791) 11.863 13.890 ( 3.375 0.000 -7.699) 8.406 14.011 ( 2.516 0.000 -14.137) 14.359 14.089 ( -0.458 0.000 -7.968) 7.981 14.479 ( -2.451 0.000 2.462) 3.474 14.650 ( -2.024 0.000 16.549) 16.673 14.812 ( -7.613 0.000 27.105) 28.154 14.840 ( 3.981 0.000 14.334) 14.876 15.080 ( -4.489 0.000 18.139) 18.686 15.121 ( 0.021 0.000 -1.565) 1.565 15.252 ( 3.763 0.000 2.858) 4.726 15.504 ( -5.276 0.000 4.212) 6.751 15.626 ( -14.382 0.000 11.224) 18.244 15.843 ( -4.940 0.000 2.354) 5.472 16.008 ( -14.541 0.000 -1.621) 14.631 16.691 ( 4.521 0.000 -12.795) 13.570 16.728 ( -15.806 0.000 11.822) 19.738 17.038 ( 7.907 0.000 3.454) 8.629 17.112 ( 2.092 0.000 13.963) 14.119 17.455 ( 2.347 0.000 1.751) 2.928 18.546 ( -4.448 0.000 -0.968) 4.552 18.636 ( -4.669 0.000 -2.610) 5.349 18.832 ( -4.902 0.000 4.390) 6.580 19.054 ( 9.060 0.000 -1.989) 9.276 19.519 ( 6.553 0.000 -18.487) 19.614 19.983 ( -1.136 0.000 7.432) 7.518 20.112 ( 1.016 0.000 5.323) 5.419 20.325 ( 6.730 0.000 5.197) 8.503 20.418 ( -0.095 0.000 7.029) 7.029 20.793 ( 0.727 0.000 -2.314) 2.425 20.933 ( -1.138 0.000 -1.628) 1.986 21.392 ( -3.859 0.000 1.218) 4.047 21.666 ( -1.366 0.000 -2.606) 2.942 22.003 ( 1.899 0.000 -8.608) 8.815 22.066 ( -0.993 0.000 -4.535) 4.642 22.816 ( 0.867 0.000 -2.111) 2.282 22.827 ( 0.635 0.000 -2.876) 2.946 ======================= Grid point 51 (19/80) ======================= q-point: ( 0.29 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.717 ( 32.792 0.000 15.173) 36.133 1.752 ( 33.359 0.000 17.639) 37.735 2.727 ( 42.411 0.000 36.369) 55.870 3.372 ( -16.429 0.000 3.315) 16.760 3.508 ( -14.681 0.000 2.676) 14.923 3.784 ( 0.771 0.000 13.002) 13.025 4.254 ( 8.074 0.000 -2.893) 8.576 4.463 ( 5.989 0.000 1.045) 6.079 4.908 ( -1.387 0.000 8.417) 8.530 5.005 ( -3.904 0.000 19.201) 19.594 5.101 ( -5.598 0.000 -9.817) 11.301 5.134 ( -5.444 0.000 -8.484) 10.080 5.296 ( -8.787 0.000 -1.613) 8.934 5.359 ( -7.630 0.000 -1.864) 7.855 5.419 ( -2.201 0.000 3.862) 4.445 5.622 ( 0.734 0.000 1.380) 1.563 5.643 ( -4.368 0.000 0.792) 4.439 5.786 ( -9.109 0.000 5.955) 10.883 6.302 ( -4.176 0.000 -2.204) 4.722 6.317 ( -7.177 0.000 1.316) 7.297 6.633 ( 2.240 0.000 -6.755) 7.116 6.668 ( 0.816 0.000 0.862) 1.187 6.729 ( 3.407 0.000 -0.909) 3.527 6.971 ( -3.494 0.000 -0.500) 3.529 7.053 ( -1.245 0.000 -0.050) 1.246 7.157 ( -2.749 0.000 5.313) 5.982 7.282 ( 2.618 0.000 0.218) 2.627 7.358 ( -2.260 0.000 -2.032) 3.039 7.388 ( 2.001 0.000 -3.005) 3.611 7.571 ( 1.692 0.000 -5.397) 5.656 7.899 ( 7.884 0.000 8.740) 11.771 7.965 ( 0.267 0.000 -0.076) 0.278 8.058 ( -2.178 0.000 5.756) 6.154 8.235 ( -1.720 0.000 -2.047) 2.674 8.451 ( -2.685 0.000 2.683) 3.795 8.503 ( -3.686 0.000 -1.141) 3.859 8.532 ( -2.223 0.000 3.532) 4.173 8.734 ( -5.165 0.000 4.765) 7.027 9.131 ( 6.408 0.000 2.511) 6.883 9.195 ( 4.420 0.000 1.142) 4.565 9.668 ( 9.419 0.000 -1.447) 9.529 9.697 ( 2.635 0.000 1.606) 3.086 10.128 ( 9.158 0.000 -1.230) 9.240 10.448 ( 5.811 0.000 -2.707) 6.410 10.745 ( -3.841 0.000 -6.460) 7.516 10.856 ( 0.858 0.000 -1.594) 1.810 11.297 ( -10.863 0.000 -11.238) 15.630 11.357 ( 7.156 0.000 1.484) 7.308 11.624 ( 7.935 0.000 -18.020) 19.689 11.742 ( -9.517 0.000 -7.177) 11.920 12.223 ( -1.753 0.000 1.183) 2.115 12.248 ( 0.045 0.000 10.116) 10.117 12.369 ( 2.210 0.000 -13.794) 13.970 12.553 ( -0.096 0.000 -1.237) 1.241 12.847 ( -0.217 0.000 11.521) 11.523 12.885 ( 1.778 0.000 10.865) 11.010 13.063 ( 0.586 0.000 -17.184) 17.194 13.206 ( -3.199 0.000 -9.814) 10.322 13.580 ( 1.148 0.000 9.796) 9.863 13.631 ( 1.245 0.000 -2.559) 2.846 13.963 ( 3.716 0.000 -7.110) 8.023 14.068 ( 2.884 0.000 -12.047) 12.388 14.111 ( 3.184 0.000 -7.300) 7.965 14.402 ( -5.195 0.000 -0.527) 5.222 14.614 ( -1.513 0.000 14.609) 14.687 14.673 ( -5.274 0.000 23.100) 23.694 14.944 ( 6.491 0.000 12.009) 13.651 15.013 ( -1.736 0.000 20.145) 20.219 15.119 ( -0.208 0.000 -0.235) 0.314 15.332 ( 3.695 0.000 3.157) 4.860 15.391 ( -5.461 0.000 7.659) 9.407 15.422 ( -6.222 0.000 9.971) 11.753 15.714 ( -14.959 0.000 0.172) 14.960 15.724 ( -6.746 0.000 0.885) 6.804 16.592 ( -0.034 0.000 -0.399) 0.400 16.751 ( 0.880 0.000 -13.481) 13.510 17.230 ( 9.646 0.000 8.900) 13.124 17.256 ( 7.592 0.000 11.170) 13.506 17.553 ( 8.806 0.000 0.593) 8.826 18.393 ( -10.953 0.000 -4.284) 11.760 18.582 ( -0.581 0.000 0.153) 0.601 18.755 ( -3.720 0.000 5.362) 6.526 19.230 ( 8.405 0.000 -7.460) 11.238 19.529 ( -2.566 0.000 -14.899) 15.119 19.962 ( -0.613 0.000 10.088) 10.107 20.113 ( -1.816 0.000 7.592) 7.806 20.363 ( -0.406 0.000 13.792) 13.798 20.412 ( -0.573 0.000 6.997) 7.020 20.814 ( 1.384 0.000 -2.561) 2.911 20.907 ( -1.363 0.000 -3.089) 3.376 21.413 ( 4.013 0.000 -4.286) 5.871 21.628 ( -2.459 0.000 -2.356) 3.405 22.002 ( -0.904 0.000 -7.481) 7.535 22.040 ( -1.568 0.000 -4.841) 5.088 22.840 ( 1.280 0.000 -3.418) 3.649 22.842 ( 0.857 0.000 -3.259) 3.369 ======================= Grid point 52 (20/80) ======================= q-point: ( 0.43 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.338 ( 30.132 0.000 8.531) 31.316 2.401 ( 32.371 0.000 12.937) 34.860 2.890 ( -23.237 0.000 6.259) 24.066 3.028 ( -29.371 0.000 11.794) 31.651 3.564 ( 30.093 0.000 20.329) 36.316 3.862 ( -0.536 0.000 5.407) 5.434 4.415 ( 8.123 0.000 -10.615) 13.367 4.533 ( -1.049 0.000 -4.207) 4.335 4.889 ( -0.636 0.000 7.918) 7.943 4.925 ( -3.922 0.000 15.632) 16.117 5.010 ( -1.609 0.000 -2.909) 3.325 5.080 ( 0.523 0.000 -1.683) 1.763 5.136 ( -13.505 0.000 1.757) 13.619 5.148 ( -5.546 0.000 -0.744) 5.596 5.389 ( -0.247 0.000 9.104) 9.107 5.448 ( -7.599 0.000 10.918) 13.302 5.654 ( 2.292 0.000 -0.129) 2.295 5.704 ( -2.605 0.000 0.085) 2.606 6.223 ( -2.214 0.000 -0.880) 2.382 6.228 ( -2.504 0.000 -3.611) 4.395 6.700 ( 4.242 0.000 -3.141) 5.278 6.726 ( 4.303 0.000 1.920) 4.712 6.752 ( -0.888 0.000 -2.697) 2.839 6.848 ( -7.524 0.000 2.632) 7.971 7.073 ( 2.976 0.000 1.316) 3.254 7.131 ( -1.947 0.000 1.280) 2.329 7.330 ( 1.417 0.000 1.089) 1.787 7.332 ( 0.164 0.000 0.184) 0.247 7.461 ( 4.696 0.000 -6.736) 8.212 7.548 ( -3.613 0.000 -7.852) 8.643 7.963 ( -0.248 0.000 6.689) 6.693 7.972 ( -1.026 0.000 7.011) 7.086 8.088 ( 6.316 0.000 2.670) 6.857 8.196 ( -3.658 0.000 -0.712) 3.726 8.423 ( 0.034 0.000 -1.533) 1.533 8.447 ( -2.143 0.000 -1.360) 2.538 8.538 ( 2.998 0.000 4.806) 5.665 8.628 ( -5.468 0.000 4.543) 7.109 9.227 ( 3.179 0.000 1.855) 3.681 9.249 ( 0.917 0.000 1.362) 1.642 9.758 ( 3.085 0.000 0.484) 3.123 9.782 ( 1.768 0.000 -0.650) 1.883 10.308 ( 8.712 0.000 -1.787) 8.894 10.448 ( -4.900 0.000 -2.500) 5.501 10.737 ( 3.538 0.000 -6.159) 7.103 10.846 ( -4.972 0.000 -3.006) 5.810 11.239 ( 7.025 0.000 -12.202) 14.080 11.428 ( -5.781 0.000 -10.645) 12.114 11.591 ( 0.018 0.000 4.124) 4.124 11.661 ( -2.666 0.000 -2.894) 3.934 12.199 ( -0.533 0.000 -0.399) 0.666 12.209 ( -1.685 0.000 3.306) 3.710 12.450 ( 4.281 0.000 -9.229) 10.174 12.522 ( -2.902 0.000 -4.210) 5.113 12.860 ( 1.338 0.000 13.079) 13.147 12.886 ( -1.054 0.000 12.642) 12.686 13.091 ( 2.151 0.000 -15.949) 16.093 13.143 ( -3.082 0.000 -13.140) 13.496 13.609 ( 1.628 0.000 8.719) 8.870 13.636 ( -0.818 0.000 5.179) 5.244 14.044 ( 4.420 0.000 -7.995) 9.135 14.099 ( -0.430 0.000 -9.625) 9.635 14.194 ( 4.612 0.000 -6.419) 7.905 14.292 ( -5.629 0.000 -3.849) 6.819 14.595 ( -0.275 0.000 13.454) 13.457 14.608 ( -1.733 0.000 15.866) 15.961 15.014 ( 1.519 0.000 12.549) 12.640 15.043 ( 0.524 0.000 3.224) 3.266 15.154 ( 6.599 0.000 10.252) 12.192 15.300 ( -5.228 0.000 4.015) 6.592 15.323 ( -0.843 0.000 7.586) 7.632 15.379 ( -5.053 0.000 7.421) 8.978 15.510 ( -0.588 0.000 2.892) 2.951 15.595 ( -6.179 0.000 1.377) 6.331 16.644 ( 4.209 0.000 -7.918) 8.967 16.724 ( -3.293 0.000 -11.953) 12.399 17.354 ( 3.032 0.000 15.012) 15.315 17.358 ( 2.575 0.000 14.110) 14.343 17.811 ( 16.228 0.000 -4.269) 16.780 18.130 ( -15.529 0.000 -5.409) 16.444 18.609 ( 2.904 0.000 2.487) 3.824 18.679 ( -3.995 0.000 4.645) 6.126 19.370 ( 5.842 0.000 -12.146) 13.478 19.463 ( -3.929 0.000 -14.170) 14.705 19.974 ( 2.101 0.000 13.041) 13.210 20.043 ( -4.471 0.000 12.775) 13.535 20.370 ( 1.115 0.000 10.050) 10.112 20.395 ( -1.210 0.000 7.647) 7.742 20.846 ( 1.743 0.000 -2.932) 3.411 20.879 ( -1.595 0.000 -3.300) 3.665 21.498 ( 4.212 0.000 -3.480) 5.464 21.571 ( -3.306 0.000 -2.499) 4.144 21.992 ( 0.206 0.000 -6.332) 6.336 22.009 ( -1.374 0.000 -5.443) 5.614 22.856 ( 0.473 0.000 -3.676) 3.706 22.858 ( 0.413 0.000 -3.841) 3.863 ======================= Grid point 56 (21/80) ======================= q-point: ( 0.00 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( 0.000 25.325 27.056) 37.060 1.379 ( 0.000 34.079 34.180) 48.267 2.089 ( 0.000 53.514 48.244) 72.050 3.253 ( 0.000 -15.542 1.357) 15.601 3.741 ( 0.000 -6.592 7.738) 10.165 3.899 ( 0.000 -2.812 14.029) 14.308 4.296 ( 0.000 10.290 12.018) 15.821 4.361 ( 0.000 4.762 3.420) 5.863 4.768 ( 0.000 -18.488 -0.649) 18.499 5.018 ( 0.000 -5.469 18.643) 19.429 5.215 ( 0.000 -16.214 0.278) 16.216 5.277 ( 0.000 5.453 -8.780) 10.336 5.296 ( 0.000 3.180 -9.092) 9.632 5.472 ( 0.000 -0.851 -2.778) 2.906 5.658 ( 0.000 10.329 -7.188) 12.584 5.819 ( 0.000 8.992 2.991) 9.477 5.838 ( 0.000 14.519 -4.891) 15.321 6.002 ( 0.000 13.575 -0.151) 13.576 6.278 ( 0.000 -12.974 -2.381) 13.190 6.452 ( 0.000 -5.167 1.069) 5.276 6.545 ( 0.000 15.213 4.615) 15.898 6.796 ( 0.000 -1.915 -13.608) 13.742 6.921 ( 0.000 -7.914 -0.933) 7.969 6.921 ( 0.000 4.030 -7.174) 8.229 7.062 ( 0.000 -5.332 2.015) 5.700 7.167 ( 0.000 7.745 3.098) 8.342 7.266 ( 0.000 2.410 -3.155) 3.970 7.305 ( 0.000 0.039 3.220) 3.221 7.432 ( 0.000 -4.641 7.379) 8.717 7.702 ( 0.000 -13.264 -9.322) 16.212 7.718 ( 0.000 -0.019 12.597) 12.597 7.830 ( 0.000 13.768 0.921) 13.799 8.086 ( 0.000 -1.749 1.964) 2.630 8.291 ( 0.000 -8.434 5.669) 10.162 8.311 ( 0.000 -13.862 11.292) 17.879 8.569 ( 0.000 -2.636 -0.853) 2.771 8.666 ( 0.000 -0.264 -6.963) 6.968 8.757 ( 0.000 -6.048 -1.938) 6.351 8.985 ( 0.000 5.661 6.464) 8.592 9.177 ( 0.000 7.208 7.633) 10.498 9.354 ( 0.000 -22.476 4.511) 22.924 9.862 ( 0.000 -31.694 -3.023) 31.838 9.942 ( 0.000 4.191 -3.019) 5.165 9.979 ( 0.000 22.057 -19.155) 29.214 10.668 ( 0.000 1.406 -3.639) 3.902 10.876 ( 0.000 16.677 0.492) 16.684 11.283 ( 0.000 10.089 1.402) 10.186 11.317 ( 0.000 15.421 -4.594) 16.091 11.746 ( 0.000 -12.993 -0.817) 13.019 11.754 ( 0.000 1.698 -10.706) 10.840 11.978 ( 0.000 -1.258 -7.321) 7.428 12.274 ( 0.000 -3.398 9.040) 9.658 12.397 ( 0.000 8.820 5.353) 10.317 12.510 ( 0.000 -0.323 -0.765) 0.830 12.735 ( 0.000 2.321 14.274) 14.462 12.854 ( 0.000 -4.647 8.590) 9.766 13.282 ( 0.000 -6.577 0.790) 6.625 13.418 ( 0.000 2.773 3.627) 4.566 13.459 ( 0.000 -11.329 -11.332) 16.024 13.709 ( 0.000 23.638 -20.415) 31.234 13.762 ( 0.000 -6.630 -4.480) 8.002 14.009 ( 0.000 -3.057 -10.537) 10.971 14.101 ( 0.000 1.299 -10.670) 10.749 14.320 ( 0.000 -6.827 1.787) 7.057 14.501 ( 0.000 -12.673 16.115) 20.501 14.872 ( 0.000 4.358 12.022) 12.788 15.032 ( 0.000 -1.641 11.152) 11.272 15.143 ( 0.000 -1.427 2.962) 3.288 15.196 ( 0.000 16.497 12.204) 20.521 15.242 ( 0.000 5.536 1.267) 5.679 15.511 ( 0.000 -1.124 -0.034) 1.124 15.930 ( 0.000 9.502 -1.800) 9.671 15.977 ( 0.000 8.745 -0.014) 8.745 16.282 ( 0.000 8.152 1.677) 8.323 16.570 ( 0.000 -5.382 -10.115) 11.458 16.694 ( 0.000 -12.698 5.291) 13.757 17.066 ( 0.000 3.926 -3.457) 5.231 17.363 ( 0.000 -4.924 9.389) 10.602 17.511 ( 0.000 0.787 1.646) 1.824 17.663 ( 0.000 -19.945 13.803) 24.255 18.720 ( 0.000 1.328 13.353) 13.419 18.900 ( 0.000 -2.564 3.073) 4.002 19.210 ( 0.000 5.438 -8.640) 10.209 19.225 ( 0.000 -29.932 3.989) 30.197 19.717 ( 0.000 -25.616 7.800) 26.777 20.021 ( 0.000 -0.325 -6.918) 6.925 20.404 ( 0.000 25.338 -6.670) 26.201 20.720 ( 0.000 16.817 6.009) 17.859 20.791 ( 0.000 0.560 -2.012) 2.088 20.923 ( 0.000 -2.822 -0.522) 2.870 21.292 ( 0.000 0.306 3.948) 3.960 21.861 ( 0.000 -6.202 -3.084) 6.926 22.110 ( 0.000 2.942 -5.423) 6.170 22.219 ( 0.000 15.709 -21.448) 26.585 22.826 ( 0.000 1.274 -1.377) 1.875 22.837 ( 0.000 1.430 -2.479) 2.862 ======================= Grid point 57 (22/80) ======================= q-point: ( 0.14 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( 23.882 19.709 20.092) 36.912 1.574 ( 18.434 29.715 28.802) 45.303 2.385 ( 27.982 45.088 41.695) 67.486 3.289 ( 2.582 -16.021 0.796) 16.247 3.719 ( -2.105 -1.614 5.120) 5.766 3.851 ( -5.894 -3.273 17.935) 19.161 4.264 ( -2.190 8.768 6.845) 11.337 4.404 ( 4.236 3.783 2.356) 6.149 4.693 ( -5.376 -17.559 1.567) 18.431 4.994 ( -3.152 -5.363 14.938) 16.182 5.124 ( -6.569 -13.183 -0.370) 14.734 5.265 ( -1.453 -1.498 -5.458) 5.843 5.289 ( -2.105 5.551 -8.451) 10.328 5.462 ( -2.413 0.892 -1.238) 2.855 5.677 ( 1.536 9.814 -5.059) 11.148 5.750 ( -4.133 11.797 -0.785) 12.525 5.858 ( 0.949 14.206 -3.455) 14.651 6.008 ( -3.646 5.892 0.444) 6.943 6.310 ( 6.408 -10.322 -1.697) 12.267 6.450 ( -6.831 5.929 -0.115) 9.046 6.533 ( 0.456 5.542 5.362) 7.725 6.703 ( -6.665 -4.909 -9.861) 12.875 6.796 ( -2.177 -2.608 -0.975) 3.534 6.956 ( 0.061 3.850 -0.321) 3.863 7.103 ( 1.329 -2.279 -1.712) 3.145 7.178 ( -1.277 0.690 -0.325) 1.488 7.259 ( -2.119 0.628 3.475) 4.118 7.391 ( 1.504 0.364 -0.232) 1.564 7.407 ( 1.787 -0.164 0.979) 2.044 7.538 ( -5.220 -4.673 -0.167) 7.008 7.723 ( -0.333 0.862 9.704) 9.748 7.924 ( 4.512 0.330 -2.687) 5.262 8.089 ( -0.324 -2.028 3.147) 3.758 8.238 ( -2.438 -5.816 6.012) 8.712 8.375 ( 3.343 -9.198 6.626) 11.819 8.517 ( -3.714 -0.996 -1.521) 4.135 8.644 ( -2.661 -0.771 -3.003) 4.086 8.776 ( 1.086 -2.987 -1.517) 3.522 9.043 ( 5.010 3.663 4.666) 7.765 9.192 ( 1.374 6.268 5.561) 8.491 9.392 ( 2.878 -21.570 3.714) 22.076 9.727 ( -4.601 10.794 -2.441) 11.985 9.903 ( 2.653 -30.029 -3.094) 30.304 10.102 ( 3.888 13.697 -7.241) 15.973 10.646 ( 2.600 -1.618 -2.417) 3.901 11.217 ( -5.063 9.875 -5.737) 12.492 11.277 ( 20.784 2.506 -16.052) 26.380 11.352 ( 4.255 10.607 1.883) 11.583 11.525 ( -9.422 -2.201 -5.590) 11.175 11.862 ( 0.013 -1.540 -8.994) 9.125 12.051 ( 6.803 -2.387 -4.120) 8.304 12.237 ( -3.293 -3.164 9.407) 10.457 12.386 ( -0.762 8.119 3.191) 8.757 12.523 ( 0.875 -0.578 -0.027) 1.049 12.753 ( 1.601 1.260 12.991) 13.150 12.821 ( -2.762 -5.039 9.342) 10.968 13.284 ( 0.185 -5.262 -0.671) 5.308 13.395 ( -1.489 -1.443 -2.711) 3.413 13.498 ( 2.601 -7.061 -1.506) 7.674 13.692 ( -1.002 21.825 -18.935) 28.912 13.814 ( 4.222 -3.902 -6.641) 8.784 14.013 ( 0.477 -3.394 -10.299) 10.854 14.082 ( -2.035 -0.199 -7.399) 7.676 14.295 ( -2.327 -8.780 3.186) 9.625 14.499 ( 0.348 -8.826 14.113) 16.649 14.858 ( -1.845 2.616 12.490) 12.893 14.994 ( -2.524 3.636 13.041) 13.772 15.134 ( -0.448 0.284 2.739) 2.790 15.204 ( 0.749 13.668 6.940) 15.348 15.282 ( 3.193 4.024 4.886) 7.089 15.469 ( -3.902 -0.492 0.993) 4.056 15.751 ( -16.504 9.088 6.211) 19.838 15.915 ( -5.147 8.275 5.998) 11.443 16.104 ( -11.780 8.862 -1.766) 14.847 16.631 ( 1.544 -4.354 -9.627) 10.678 16.706 ( 2.472 -2.843 2.381) 4.457 17.128 ( -0.070 0.036 14.268) 14.268 17.171 ( 3.330 10.238 0.325) 10.771 17.452 ( 1.934 1.114 3.989) 4.571 18.026 ( 13.088 -24.502 -1.612) 27.825 18.722 ( -0.221 1.752 11.234) 11.372 18.937 ( 3.022 -8.530 -1.797) 9.226 19.055 ( -10.738 10.571 -6.875) 16.562 19.261 ( 3.036 -26.065 5.154) 26.743 19.678 ( -3.635 -25.368 7.530) 26.711 19.994 ( -2.941 -4.580 -3.960) 6.731 20.527 ( 7.890 18.869 -0.924) 20.473 20.717 ( -0.341 16.912 6.184) 18.011 20.798 ( 0.823 0.639 -2.140) 2.380 20.934 ( 0.532 -1.532 -1.032) 1.922 21.301 ( 1.765 0.664 0.684) 2.006 21.801 ( -5.333 -1.734 -2.778) 6.258 22.075 ( -2.781 4.526 -6.304) 8.244 22.164 ( -3.785 9.861 -13.203) 16.908 22.822 ( 0.106 0.894 -2.208) 2.384 22.849 ( 0.956 1.565 -2.593) 3.176 ======================= Grid point 58 (23/80) ======================= q-point: ( 0.29 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.857 ( 29.885 13.170 12.960) 35.136 2.027 ( 26.486 21.868 20.569) 40.035 3.048 ( 34.658 31.236 27.384) 54.099 3.252 ( -7.080 -10.153 2.673) 12.663 3.603 ( -19.700 2.098 18.856) 27.350 3.734 ( 5.612 0.988 0.413) 5.713 4.286 ( 5.148 -0.077 2.047) 5.540 4.503 ( 4.415 0.962 -1.224) 4.682 4.629 ( -0.211 -16.539 5.378) 17.393 4.873 ( -8.383 -4.674 2.943) 10.039 5.016 ( -4.780 -13.129 6.273) 15.316 5.174 ( -8.230 -2.077 -3.434) 9.156 5.244 ( -1.912 6.547 -1.662) 7.020 5.382 ( -4.716 5.143 1.513) 7.140 5.647 ( -6.992 7.645 -4.120) 11.149 5.695 ( -1.498 10.326 -0.586) 10.451 5.835 ( -5.923 10.104 1.059) 11.760 5.884 ( -4.365 7.386 -1.769) 8.760 6.278 ( -6.587 2.137 0.878) 6.980 6.449 ( -5.711 8.043 1.688) 10.008 6.500 ( 8.478 -4.276 -2.249) 9.758 6.637 ( 1.000 -2.871 0.704) 3.120 6.833 ( 0.257 1.302 -2.761) 3.064 6.939 ( -1.361 1.662 0.919) 2.336 7.074 ( -3.662 -3.943 1.757) 5.661 7.124 ( -0.606 2.104 2.208) 3.110 7.244 ( 1.241 -2.188 1.400) 2.879 7.349 ( 0.777 -3.052 -1.894) 3.675 7.432 ( -3.321 3.763 -2.594) 5.650 7.535 ( 0.633 -1.210 -4.290) 4.502 7.780 ( 5.493 -6.395 9.525) 12.720 7.971 ( 0.151 -2.949 2.339) 3.767 8.073 ( -0.529 -1.291 3.584) 3.845 8.199 ( -1.839 -4.084 3.480) 5.672 8.434 ( 2.402 -1.755 2.963) 4.199 8.463 ( -1.093 1.305 -1.917) 2.563 8.581 ( -3.226 0.498 -1.007) 3.416 8.757 ( -3.081 0.828 1.051) 3.359 9.150 ( 5.350 1.789 2.817) 6.305 9.230 ( 2.362 2.746 2.197) 4.237 9.461 ( 5.091 -18.824 2.203) 19.624 9.776 ( 5.509 3.783 -0.214) 6.686 9.937 ( 0.837 -33.733 -2.913) 33.869 10.154 ( 1.428 8.983 -3.658) 9.803 10.762 ( 8.137 -1.477 -2.798) 8.730 11.062 ( -7.721 5.474 -5.602) 10.998 11.301 ( -7.048 0.331 -13.232) 14.995 11.449 ( 4.756 6.774 -2.226) 8.572 11.613 ( 4.530 0.072 -5.231) 6.920 11.849 ( 0.621 9.562 -10.171) 13.974 12.125 ( -0.541 -6.236 0.515) 6.281 12.202 ( 1.050 0.204 3.143) 3.320 12.385 ( 1.001 5.175 0.116) 5.272 12.522 ( -1.370 -1.997 -0.887) 2.579 12.772 ( -0.218 -4.540 9.843) 10.842 12.791 ( 0.666 -1.291 13.195) 13.275 13.289 ( 0.339 -2.446 -3.781) 4.516 13.363 ( -1.812 -1.473 -6.080) 6.513 13.538 ( 1.542 -3.610 5.890) 7.078 13.670 ( -1.710 21.477 -13.464) 25.406 13.902 ( 4.300 -5.069 -6.553) 9.334 14.034 ( 1.342 -4.358 -9.356) 10.408 14.043 ( -0.526 -5.786 -1.127) 5.918 14.242 ( -2.974 -9.404 2.625) 10.206 14.529 ( 2.675 -1.928 8.840) 9.435 14.789 ( -4.771 3.082 11.971) 13.250 14.976 ( 0.738 4.127 12.717) 13.390 15.137 ( 0.561 3.648 -0.092) 3.692 15.215 ( -0.097 9.741 6.066) 11.475 15.336 ( 1.241 0.800 5.571) 5.764 15.383 ( -3.495 1.351 4.289) 5.695 15.475 ( -9.499 4.234 9.222) 13.900 15.797 ( -6.271 10.853 4.972) 13.484 15.897 ( -9.406 14.591 -2.213) 17.501 16.638 ( 1.241 2.538 -4.962) 5.710 16.759 ( 1.203 1.332 -9.243) 9.416 17.206 ( 6.915 -0.710 14.066) 15.690 17.327 ( 7.719 4.902 6.862) 11.432 17.531 ( 7.316 -1.601 1.577) 7.653 18.138 ( -0.253 -16.605 -2.251) 16.759 18.699 ( -2.004 3.933 6.218) 7.625 18.829 ( -8.615 5.198 -4.688) 11.100 19.052 ( 5.586 -14.291 -6.104) 16.514 19.328 ( 2.464 -16.564 0.786) 16.765 19.604 ( -2.553 -25.480 9.688) 27.379 19.904 ( -6.047 -10.815 1.784) 12.518 20.627 ( 2.730 17.147 6.017) 18.375 20.706 ( -0.787 17.049 6.515) 18.268 20.825 ( 1.810 1.144 -2.432) 3.240 20.926 ( -1.219 0.831 -1.515) 2.115 21.379 ( 5.720 0.048 -3.146) 6.528 21.693 ( -5.241 1.283 -2.135) 5.803 22.030 ( -1.544 3.315 -6.418) 7.386 22.097 ( -3.105 4.792 -7.992) 9.822 22.834 ( 0.937 0.144 -3.246) 3.381 22.866 ( 0.587 1.229 -3.215) 3.492 ======================= Grid point 59 (24/80) ======================= q-point: ( 0.43 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.431 ( 27.907 8.501 7.840) 30.208 2.569 ( 28.566 14.445 16.366) 35.951 2.916 ( -21.201 2.660 4.139) 21.765 3.125 ( -27.422 8.314 15.716) 32.682 3.715 ( 23.558 13.147 13.666) 30.241 3.872 ( 4.567 1.327 0.552) 4.788 4.429 ( 8.430 -4.397 0.144) 9.509 4.541 ( -0.074 -5.280 -0.247) 5.286 4.659 ( 1.348 -15.015 7.339) 16.767 4.766 ( -0.412 3.052 -0.646) 3.147 4.907 ( -6.859 -11.776 2.335) 13.826 4.947 ( -12.938 -3.348 2.924) 13.681 5.218 ( 0.366 8.025 2.901) 8.541 5.291 ( -5.726 6.772 4.723) 10.047 5.505 ( -1.820 4.064 1.338) 4.650 5.587 ( -7.439 8.513 4.223) 12.068 5.782 ( 1.147 9.760 -1.183) 9.899 5.825 ( -2.785 9.419 -4.311) 10.726 6.240 ( 2.023 4.583 1.038) 5.116 6.322 ( -5.728 7.670 0.352) 9.579 6.662 ( 6.728 -3.511 -0.890) 7.641 6.712 ( 5.790 1.116 1.585) 6.106 6.779 ( -4.231 -0.943 -1.346) 4.539 6.845 ( -6.942 1.494 0.939) 7.163 7.069 ( 2.446 0.129 1.581) 2.915 7.125 ( -1.774 0.241 1.213) 2.162 7.314 ( 4.825 -0.191 1.084) 4.949 7.372 ( -2.149 2.376 -0.967) 3.346 7.392 ( 3.614 -5.660 -5.283) 8.544 7.491 ( -4.773 -3.893 -3.624) 7.146 7.872 ( 3.551 -6.507 7.815) 10.771 7.937 ( -3.078 -3.969 6.512) 8.224 8.096 ( 2.892 -2.593 3.234) 5.054 8.157 ( -2.682 -4.475 2.958) 5.997 8.444 ( 0.746 1.680 -2.145) 2.825 8.472 ( -1.306 3.258 -3.409) 4.892 8.571 ( 3.649 1.382 2.727) 4.761 8.670 ( -5.368 2.469 2.482) 6.409 9.234 ( 3.036 0.764 1.816) 3.620 9.261 ( 0.302 0.839 1.486) 1.733 9.601 ( 8.728 -17.405 0.337) 19.473 9.765 ( -6.656 -12.396 -0.900) 14.099 10.021 ( 7.244 -16.219 -1.275) 17.809 10.138 ( -3.625 -3.258 -1.376) 5.065 10.889 ( 3.934 0.912 -5.227) 6.605 10.960 ( -3.578 3.521 -4.916) 7.026 11.261 ( 4.884 2.039 -13.881) 14.855 11.421 ( -8.025 -1.189 -12.371) 14.794 11.687 ( 6.480 9.399 6.891) 13.334 11.816 ( -5.291 12.572 1.572) 13.730 12.146 ( 3.087 -2.784 -5.041) 6.534 12.201 ( -1.781 2.312 -3.392) 4.475 12.423 ( 2.537 -0.185 -0.729) 2.646 12.476 ( -2.834 -2.906 -1.167) 4.223 12.783 ( 1.142 -4.179 11.761) 12.534 12.799 ( -0.236 -2.434 12.168) 12.411 13.300 ( 0.936 -0.152 -6.754) 6.820 13.327 ( -1.755 -0.063 -7.758) 7.954 13.570 ( 2.001 3.548 5.926) 7.191 13.620 ( -2.979 12.544 -0.533) 12.903 13.976 ( 3.335 -6.566 -6.104) 9.565 14.023 ( -1.275 -8.958 -4.364) 10.046 14.100 ( 3.984 -5.138 -4.221) 7.751 14.177 ( -3.697 -7.383 -1.036) 8.322 14.598 ( 4.260 2.518 6.468) 8.144 14.690 ( -5.092 3.932 8.368) 10.555 15.017 ( 3.406 2.151 9.894) 10.682 15.102 ( -4.584 3.582 2.940) 6.518 15.230 ( 3.021 2.525 5.198) 6.521 15.310 ( -4.299 1.657 1.271) 4.779 15.354 ( 1.406 2.796 7.178) 7.831 15.393 ( -1.372 0.054 6.260) 6.409 15.709 ( -1.577 17.198 4.034) 17.735 15.750 ( -5.280 17.814 1.431) 18.635 16.686 ( 3.232 3.490 -8.045) 9.346 16.745 ( -2.289 2.177 -10.364) 10.834 17.328 ( 5.040 -1.476 15.777) 16.628 17.390 ( -0.822 1.424 14.778) 14.869 17.767 ( 14.898 -3.799 -3.655) 15.803 18.031 ( -10.524 -8.299 -3.114) 13.760 18.670 ( 0.063 4.242 1.777) 4.600 18.711 ( -3.845 2.723 1.386) 4.911 19.172 ( 6.608 -18.001 -8.070) 20.805 19.297 ( -5.323 -15.745 -6.819) 17.965 19.636 ( 5.497 -20.712 11.811) 24.468 19.770 ( -7.356 -15.442 7.394) 18.635 20.663 ( 1.390 17.488 7.139) 18.940 20.687 ( -1.126 17.341 6.825) 18.670 20.861 ( 1.831 1.430 -2.457) 3.381 20.896 ( -1.710 1.368 -2.329) 3.197 21.495 ( 5.652 0.473 -2.707) 6.285 21.596 ( -4.858 1.193 -1.987) 5.382 22.019 ( 0.407 2.647 -6.440) 6.974 22.045 ( -2.118 3.071 -6.671) 7.643 22.854 ( 0.996 -0.005 -3.707) 3.838 22.868 ( -0.366 0.498 -3.666) 3.718 ======================= Grid point 63 (25/80) ======================= q-point: ( 0.00 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( 0.000 28.924 17.370) 33.739 2.025 ( 0.000 32.544 35.256) 47.980 2.724 ( 0.000 -21.105 8.688) 22.823 3.331 ( 0.000 -28.447 24.342) 37.440 3.460 ( 0.000 60.882 15.666) 62.865 4.068 ( 0.000 13.903 2.402) 14.109 4.426 ( 0.000 1.149 3.051) 3.261 4.482 ( 0.000 1.073 6.194) 6.286 4.531 ( 0.000 1.711 2.899) 3.366 4.828 ( 0.000 -19.879 2.482) 20.033 4.913 ( 0.000 -4.927 17.002) 17.702 5.333 ( 0.000 -2.938 3.324) 4.436 5.454 ( 0.000 8.767 -14.559) 16.995 5.494 ( 0.000 3.442 -11.115) 11.635 5.825 ( 0.000 -1.091 -4.152) 4.293 5.917 ( 0.000 -14.911 -10.266) 18.103 5.976 ( 0.000 9.144 -0.865) 9.185 6.151 ( 0.000 5.718 -1.230) 5.848 6.161 ( 0.000 0.027 -2.331) 2.332 6.393 ( 0.000 5.986 4.576) 7.534 6.636 ( 0.000 -9.385 -13.703) 16.609 6.714 ( 0.000 -5.073 0.844) 5.143 6.877 ( 0.000 -10.393 6.186) 12.095 6.989 ( 0.000 23.790 2.328) 23.904 7.071 ( 0.000 7.299 -4.904) 8.793 7.172 ( 0.000 -10.348 12.500) 16.228 7.293 ( 0.000 -0.784 0.136) 0.795 7.313 ( 0.000 0.232 3.264) 3.273 7.489 ( 0.000 10.899 2.573) 11.198 7.498 ( 0.000 -6.123 -6.637) 9.030 7.825 ( 0.000 11.179 -1.799) 11.323 7.992 ( 0.000 -5.330 4.934) 7.263 8.041 ( 0.000 1.689 1.665) 2.372 8.120 ( 0.000 -6.252 6.560) 9.062 8.173 ( 0.000 0.100 5.460) 5.461 8.526 ( 0.000 -13.258 -6.660) 14.837 8.575 ( 0.000 3.179 2.289) 3.918 8.706 ( 0.000 -2.367 -6.171) 6.610 8.940 ( 0.000 -14.976 4.778) 15.720 9.039 ( 0.000 -11.510 -1.147) 11.567 9.226 ( 0.000 -15.786 3.536) 16.177 9.268 ( 0.000 1.076 9.273) 9.335 10.070 ( 0.000 7.789 -4.018) 8.765 10.213 ( 0.000 4.361 -6.746) 8.033 10.820 ( 0.000 11.676 -3.856) 12.296 11.173 ( 0.000 11.024 -1.620) 11.142 11.455 ( 0.000 -12.844 -0.865) 12.873 11.469 ( 0.000 0.886 -4.573) 4.658 11.558 ( 0.000 13.740 -1.125) 13.786 11.788 ( 0.000 0.767 -10.914) 10.941 11.956 ( 0.000 0.639 -2.901) 2.971 12.324 ( 0.000 0.090 5.209) 5.209 12.504 ( 0.000 3.384 3.636) 4.967 12.571 ( 0.000 7.622 3.300) 8.305 12.753 ( 0.000 -4.162 3.267) 5.291 12.795 ( 0.000 3.248 13.317) 13.707 13.061 ( 0.000 -10.424 9.038) 13.797 13.169 ( 0.000 -16.769 -3.769) 17.187 13.507 ( 0.000 5.475 1.719) 5.739 13.664 ( 0.000 -2.498 0.694) 2.592 13.820 ( 0.000 -10.570 2.728) 10.917 13.865 ( 0.000 -6.343 5.906) 8.667 14.163 ( 0.000 2.902 -9.035) 9.489 14.306 ( 0.000 0.096 -14.281) 14.281 14.475 ( 0.000 11.452 -11.821) 16.459 14.876 ( 0.000 -4.217 2.142) 4.730 15.028 ( 0.000 0.138 10.780) 10.781 15.048 ( 0.000 -3.434 5.525) 6.505 15.358 ( 0.000 5.829 -1.494) 6.017 15.509 ( 0.000 0.619 0.953) 1.137 15.590 ( 0.000 17.952 2.481) 18.123 16.166 ( 0.000 9.396 -3.977) 10.203 16.258 ( 0.000 21.251 0.803) 21.266 16.350 ( 0.000 -17.042 6.477) 18.232 16.483 ( 0.000 -6.934 -9.227) 11.542 16.538 ( 0.000 18.651 6.296) 19.685 16.917 ( 0.000 -13.012 -0.042) 13.012 17.385 ( 0.000 -4.224 0.873) 4.313 17.534 ( 0.000 1.530 3.699) 4.003 17.584 ( 0.000 5.230 5.929) 7.906 18.575 ( 0.000 -21.586 10.216) 23.881 18.777 ( 0.000 0.612 13.291) 13.305 18.850 ( 0.000 -2.524 4.942) 5.550 19.076 ( 0.000 -24.489 2.318) 24.598 19.461 ( 0.000 6.677 -1.799) 6.915 19.888 ( 0.000 -10.038 -5.377) 11.387 20.804 ( 0.000 0.885 -1.719) 1.933 20.841 ( 0.000 11.237 -2.272) 11.464 20.874 ( 0.000 2.765 -1.921) 3.367 20.985 ( 0.000 8.677 5.070) 10.050 21.380 ( 0.000 6.377 -0.777) 6.424 21.706 ( 0.000 -8.764 -3.760) 9.537 22.184 ( 0.000 4.328 -6.886) 8.134 22.334 ( 0.000 -0.566 -13.213) 13.225 22.855 ( 0.000 1.387 -1.527) 2.063 22.865 ( 0.000 1.072 -2.046) 2.309 ======================= Grid point 64 (26/80) ======================= q-point: ( 0.14 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.782 ( 16.741 25.356 13.725) 33.340 2.159 ( 13.081 29.750 32.262) 45.794 2.809 ( 7.930 -22.102 7.108) 24.534 3.370 ( 3.519 -25.975 24.627) 35.966 3.573 ( 11.069 57.352 14.919) 60.285 4.028 ( -3.607 13.731 2.897) 14.489 4.361 ( -10.187 -1.082 4.798) 11.312 4.440 ( -0.116 -1.008 3.163) 3.322 4.520 ( -1.352 2.038 0.267) 2.461 4.797 ( -2.257 -15.575 5.094) 16.542 4.899 ( -1.224 -4.155 12.635) 13.357 5.284 ( -3.791 -0.948 -0.584) 3.951 5.443 ( -1.920 7.780 -9.653) 12.546 5.494 ( -0.575 1.943 -7.600) 7.866 5.839 ( -6.743 -7.194 -7.789) 12.565 5.867 ( 2.258 -4.169 -3.232) 5.738 5.945 ( -2.875 7.572 -3.609) 8.867 6.156 ( 0.604 12.857 -5.111) 13.849 6.220 ( 4.035 -2.214 -1.788) 4.938 6.427 ( 2.150 -9.778 4.508) 10.980 6.552 ( -4.431 -8.235 -9.534) 13.354 6.664 ( -2.747 11.534 8.075) 14.345 6.856 ( -1.661 -12.545 1.233) 12.714 6.978 ( -0.454 19.791 2.061) 19.903 7.091 ( 0.180 3.262 -2.523) 4.128 7.227 ( -0.146 -1.956 6.864) 7.138 7.305 ( 3.460 -3.500 2.181) 5.383 7.327 ( 0.191 2.089 1.397) 2.521 7.366 ( -5.777 -1.673 1.668) 6.241 7.559 ( 2.042 6.239 -1.024) 6.644 7.799 ( -2.336 8.226 -2.373) 8.874 7.940 ( -4.121 -1.215 4.928) 6.538 8.008 ( -1.352 -4.086 2.274) 4.868 8.112 ( -0.737 -5.964 6.648) 8.961 8.260 ( 5.971 -2.583 3.578) 7.425 8.515 ( -1.408 -13.849 -6.461) 15.347 8.556 ( -1.261 4.062 0.577) 4.292 8.724 ( 0.662 -3.775 -2.122) 4.381 8.950 ( 2.023 -15.798 0.969) 15.957 9.098 ( 4.909 -9.123 0.442) 10.369 9.214 ( -0.198 -7.338 3.718) 8.228 9.309 ( 3.186 -7.329 7.166) 10.734 10.004 ( -3.279 13.231 -2.548) 13.867 10.334 ( 8.729 4.438 -7.446) 12.302 10.698 ( -7.612 7.871 -1.110) 11.006 11.184 ( -9.534 -8.760 -5.139) 13.930 11.372 ( 1.223 2.382 -5.149) 5.804 11.468 ( -0.175 -0.891 -7.269) 7.326 11.622 ( 6.019 14.281 -0.075) 15.498 11.885 ( 6.167 3.750 -5.193) 8.892 12.028 ( 7.400 -1.109 -3.895) 8.436 12.309 ( -1.893 4.128 4.926) 6.700 12.480 ( -1.661 0.949 3.742) 4.202 12.567 ( -0.634 6.184 3.580) 7.173 12.711 ( -3.639 -3.904 3.188) 6.217 12.802 ( 0.315 2.159 12.485) 12.674 13.062 ( 0.147 -10.820 9.015) 14.084 13.165 ( -0.504 -16.008 -2.136) 16.158 13.544 ( 3.685 5.711 1.186) 6.899 13.697 ( 3.144 -2.848 0.508) 4.273 13.807 ( -0.761 -9.139 2.455) 9.493 13.892 ( 2.087 -7.756 5.001) 9.461 14.164 ( -0.072 3.508 -8.520) 9.214 14.255 ( -4.457 4.677 -15.119) 16.442 14.506 ( 2.655 8.463 -9.205) 12.782 14.854 ( -2.146 -3.651 2.718) 5.032 15.018 ( -0.715 -0.128 8.617) 8.647 15.070 ( 2.149 -3.374 6.389) 7.537 15.349 ( -0.887 5.069 -1.382) 5.329 15.478 ( -2.958 0.306 0.369) 2.996 15.558 ( -3.194 14.894 4.246) 15.813 15.916 ( -20.203 3.892 5.815) 21.380 16.159 ( -1.418 13.011 -0.413) 13.095 16.365 ( -5.502 17.282 -1.653) 18.212 16.533 ( 4.407 -3.867 -7.248) 9.322 16.664 ( 10.595 0.670 -0.921) 10.656 17.039 ( 8.738 -7.189 7.701) 13.687 17.347 ( -0.600 3.804 1.934) 4.309 17.526 ( -0.969 1.885 7.448) 7.743 17.690 ( 7.917 -8.535 -0.173) 11.643 18.571 ( -0.116 -19.168 7.174) 20.467 18.777 ( -0.007 1.385 10.241) 10.334 18.899 ( 3.169 -7.385 4.668) 9.293 19.060 ( -0.376 -20.865 3.553) 21.169 19.372 ( -8.021 6.821 -0.338) 10.534 19.831 ( -5.709 -10.780 -4.806) 13.111 20.817 ( 1.338 1.253 -1.844) 2.599 20.879 ( 0.689 6.681 -2.161) 7.056 20.893 ( 3.908 5.166 0.453) 6.494 20.984 ( -0.059 8.794 5.259) 10.247 21.386 ( 0.988 6.195 -1.597) 6.473 21.688 ( -1.682 -7.595 -3.229) 8.423 22.158 ( -2.379 4.253 -6.608) 8.211 22.277 ( -4.902 0.957 -11.458) 12.500 22.848 ( -0.400 1.496 -2.066) 2.582 22.874 ( 0.610 0.714 -2.333) 2.515 ======================= Grid point 65 (27/80) ======================= q-point: ( 0.29 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.192 ( 23.577 18.965 8.612) 31.460 2.491 ( 19.620 23.598 25.704) 40.031 2.972 ( 6.428 -16.960 4.412) 18.666 3.425 ( 0.250 -16.535 26.079) 30.880 3.808 ( 7.051 32.635 7.043) 34.122 3.968 ( -0.248 19.876 3.246) 20.140 4.156 ( -6.089 -6.294 4.777) 9.976 4.413 ( -4.100 -6.798 9.080) 12.061 4.490 ( 0.558 -1.787 -4.069) 4.479 4.780 ( 0.817 -4.313 3.192) 5.428 4.879 ( -0.317 0.638 0.634) 0.953 5.217 ( -3.005 4.433 0.135) 5.358 5.381 ( -3.853 5.221 -3.326) 7.291 5.457 ( -2.680 1.065 0.506) 2.928 5.614 ( -13.666 -6.778 -2.835) 15.516 5.865 ( -6.235 -1.761 -3.964) 7.595 5.942 ( 2.346 7.777 -4.546) 9.308 6.083 ( -6.052 6.640 -10.691) 13.965 6.299 ( 4.064 4.904 2.621) 6.887 6.465 ( 2.358 -6.451 -0.801) 6.915 6.547 ( 2.858 -3.042 -0.039) 4.174 6.686 ( 3.013 11.213 9.028) 14.708 6.796 ( -4.039 -7.495 0.923) 8.564 6.997 ( 2.216 5.342 1.338) 5.936 7.046 ( -3.599 9.637 2.312) 10.544 7.204 ( -0.573 1.621 1.068) 2.024 7.253 ( -2.077 2.689 -1.258) 3.624 7.309 ( -0.598 0.364 0.466) 0.841 7.394 ( 0.324 -3.821 4.687) 6.056 7.602 ( 1.442 2.974 -2.331) 4.044 7.728 ( -3.702 4.921 6.247) 8.772 7.893 ( -1.388 -4.104 1.469) 4.575 7.983 ( -0.893 -5.240 3.781) 6.523 8.085 ( -2.309 -5.382 6.925) 9.069 8.345 ( 1.844 -10.605 3.017) 11.179 8.474 ( -2.135 -14.679 -6.710) 16.281 8.548 ( 1.030 5.474 -1.605) 5.797 8.715 ( -1.427 -4.140 1.249) 4.554 9.032 ( 6.345 -13.407 -1.156) 14.878 9.196 ( 4.332 -3.152 1.562) 5.580 9.234 ( 2.163 -4.150 1.743) 4.994 9.368 ( 2.105 -13.576 4.033) 14.317 9.980 ( 0.959 15.463 -1.386) 15.555 10.431 ( -3.750 15.784 -4.229) 16.766 10.634 ( 4.479 -11.665 -2.302) 12.706 10.984 ( -7.477 -9.646 -5.357) 13.328 11.331 ( -3.662 1.989 -11.949) 12.654 11.467 ( -2.115 -3.553 -10.823) 11.586 11.773 ( 8.074 14.702 5.264) 17.580 12.028 ( 8.938 7.337 -5.926) 12.994 12.164 ( 2.692 3.961 -1.648) 5.065 12.257 ( -0.790 6.350 4.387) 7.758 12.457 ( -1.088 -0.304 1.185) 1.637 12.533 ( -3.310 3.447 1.773) 5.097 12.648 ( -1.567 -6.272 7.250) 9.714 12.792 ( -1.610 -1.258 11.092) 11.279 13.068 ( 0.623 -11.060 8.292) 13.837 13.146 ( -1.375 -14.020 1.006) 14.123 13.642 ( 6.022 6.448 -0.289) 8.828 13.766 ( 3.207 -4.753 2.243) 6.157 13.802 ( 0.401 -7.591 0.451) 7.615 13.931 ( 1.484 -7.811 3.357) 8.631 14.144 ( -3.239 11.035 -10.035) 15.263 14.168 ( -2.589 4.531 -11.524) 12.651 14.569 ( 3.721 4.885 -5.461) 8.217 14.800 ( -3.219 -2.290 2.497) 4.673 15.017 ( 1.028 1.050 7.973) 8.107 15.130 ( 3.938 -3.637 4.567) 7.042 15.315 ( -3.239 4.482 -0.859) 5.596 15.410 ( -3.471 0.451 0.981) 3.635 15.474 ( -4.943 6.809 6.384) 10.562 15.563 ( -14.829 3.924 6.519) 16.667 16.138 ( -0.391 18.695 -1.584) 18.767 16.265 ( -4.352 21.361 -5.690) 22.530 16.637 ( 5.791 -1.473 -6.728) 8.998 16.804 ( 3.159 2.077 -3.984) 5.492 17.182 ( 5.774 -2.265 16.146) 17.297 17.409 ( 3.885 0.970 7.410) 8.423 17.516 ( 2.819 0.222 3.289) 4.338 17.829 ( 5.300 -13.030 -0.618) 14.080 18.581 ( 1.207 -16.778 0.784) 16.839 18.764 ( -1.956 -1.129 3.933) 4.536 18.891 ( -2.478 -8.582 1.641) 9.082 19.123 ( 3.506 -18.317 10.824) 21.562 19.208 ( -5.418 7.009 -0.450) 8.871 19.680 ( -9.158 -12.105 -2.694) 15.417 20.849 ( 1.743 1.830 -2.188) 3.343 20.892 ( 0.598 2.981 -2.134) 3.715 20.953 ( 1.702 7.305 4.082) 8.539 20.981 ( -0.288 8.846 5.659) 10.505 21.434 ( 3.960 4.615 -2.460) 6.560 21.648 ( -2.270 -4.550 -1.975) 5.455 22.108 ( -2.254 3.982 -6.599) 8.030 22.180 ( -4.527 2.264 -9.180) 10.483 22.845 ( 0.131 0.960 -2.878) 3.037 22.880 ( -0.110 0.046 -2.998) 3.000 ======================= Grid point 66 (28/80) ======================= q-point: ( 0.43 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.644 ( 21.046 11.753 5.165) 24.652 2.870 ( 13.764 11.689 16.159) 24.232 2.982 ( -1.834 4.820 9.719) 11.002 3.278 ( -15.843 4.118 25.525) 30.323 3.848 ( 5.122 2.474 -4.589) 7.308 3.973 ( -3.668 1.233 -0.985) 3.993 4.167 ( 3.633 -14.046 7.859) 16.500 4.288 ( -7.531 -14.470 8.971) 18.616 4.658 ( 15.435 11.931 2.333) 19.648 4.807 ( 0.574 2.437 -7.684) 8.082 4.897 ( 2.549 6.545 -5.872) 9.155 5.082 ( -13.059 14.043 5.695) 20.004 5.342 ( 0.296 2.947 4.939) 5.759 5.393 ( -6.214 2.613 3.078) 7.411 5.452 ( 4.134 -6.431 3.616) 8.458 5.647 ( -13.476 -4.114 2.025) 14.235 5.972 ( 1.410 8.536 -8.001) 11.784 6.009 ( -2.417 7.739 -12.525) 14.921 6.396 ( 6.120 9.727 5.481) 12.733 6.505 ( -3.150 6.532 -0.326) 7.259 6.581 ( 4.664 -3.053 2.992) 6.326 6.691 ( -4.936 -5.626 -0.467) 7.499 6.783 ( 4.943 4.275 4.501) 7.935 6.896 ( -6.572 1.209 3.901) 7.738 7.139 ( 4.591 9.337 0.638) 10.424 7.200 ( -2.618 4.994 -3.250) 6.509 7.254 ( 5.860 -4.341 -1.418) 7.429 7.344 ( 0.295 0.610 3.247) 3.317 7.365 ( 1.647 0.138 1.185) 2.034 7.519 ( -8.636 7.075 0.834) 11.195 7.743 ( 4.035 -5.185 7.905) 10.278 7.838 ( -4.671 -5.176 4.708) 8.413 7.987 ( 1.256 -6.517 4.932) 8.269 8.027 ( -2.899 -7.235 6.260) 9.997 8.369 ( 2.053 -14.649 -1.614) 14.880 8.426 ( -3.109 -13.477 -4.980) 14.700 8.601 ( 3.699 3.427 -0.469) 5.065 8.670 ( -3.085 -0.692 1.326) 3.428 9.185 ( 8.086 -11.499 -1.730) 14.163 9.250 ( 1.069 -1.446 0.857) 1.992 9.278 ( 2.001 -3.174 1.910) 4.211 9.353 ( -4.064 -12.825 1.645) 13.554 10.058 ( 7.366 10.861 -0.865) 13.152 10.251 ( -11.307 8.880 -0.696) 14.394 10.780 ( 7.494 -9.138 -5.151) 12.891 10.891 ( -3.939 -8.496 -4.305) 10.307 11.300 ( 1.559 1.630 -14.095) 14.274 11.383 ( -5.589 -2.402 -12.978) 14.333 11.928 ( 7.950 14.583 6.686) 17.905 12.080 ( -7.262 13.181 5.434) 16.000 12.206 ( 8.461 7.292 -7.187) 13.282 12.308 ( 0.449 5.712 -3.856) 6.907 12.420 ( -1.494 -0.631 0.036) 1.622 12.455 ( -3.567 0.801 2.468) 4.410 12.668 ( 3.052 -8.842 10.377) 13.970 12.739 ( -3.579 -6.135 10.455) 12.640 13.087 ( 1.271 -10.953 6.496) 12.798 13.116 ( -1.601 -11.903 4.043) 12.672 13.760 ( 4.962 2.466 -2.695) 6.162 13.797 ( 0.196 -7.844 1.198) 7.938 13.831 ( 2.652 -1.665 2.766) 4.178 13.912 ( -3.945 1.073 1.243) 4.273 14.102 ( 0.474 8.681 -9.074) 12.567 14.133 ( -1.881 3.978 -8.402) 9.485 14.649 ( 4.346 1.991 -2.521) 5.404 14.731 ( -3.889 -0.350 0.320) 3.918 15.071 ( 4.677 3.272 7.177) 9.170 15.198 ( -7.594 4.965 6.017) 10.887 15.223 ( 5.435 -1.663 1.386) 5.850 15.350 ( -7.669 1.225 2.255) 8.087 15.370 ( -0.435 -0.654 2.551) 2.669 15.394 ( -2.765 0.120 4.360) 5.164 16.149 ( 1.511 22.862 -3.431) 23.167 16.194 ( -2.963 23.446 -5.195) 24.197 16.742 ( 4.626 1.571 -6.560) 8.180 16.808 ( -1.994 3.148 -5.663) 6.779 17.283 ( 4.939 -3.093 17.821) 18.750 17.376 ( -4.371 -4.011 16.318) 17.363 17.698 ( 11.248 -1.742 -1.660) 11.503 17.855 ( -3.505 -8.185 0.228) 8.907 18.617 ( 2.659 -13.912 -4.587) 14.888 18.691 ( -4.610 -8.841 -3.238) 10.484 18.897 ( 3.540 -2.143 6.743) 7.912 19.011 ( -7.559 -4.188 7.782) 11.629 19.313 ( 8.776 -10.685 2.629) 14.074 19.494 ( -9.576 -12.589 0.308) 15.820 20.880 ( 1.350 1.801 -2.466) 3.338 20.897 ( -0.263 1.760 -2.504) 3.072 20.967 ( 0.222 8.781 5.460) 10.343 20.973 ( -0.454 9.036 5.916) 10.810 21.523 ( 4.539 2.049 -1.530) 5.210 21.598 ( -3.073 -0.955 -1.050) 3.385 22.084 ( -0.024 3.319 -7.252) 7.976 22.110 ( -2.562 2.698 -8.003) 8.825 22.854 ( 0.734 0.060 -3.407) 3.485 22.870 ( -0.805 -0.320 -3.427) 3.535 ======================= Grid point 70 (29/80) ======================= q-point: ( 0.00 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.186 ( 0.000 -28.598 11.535) 30.837 2.186 ( 0.000 28.598 11.535) 30.837 2.695 ( 0.000 -33.373 29.236) 44.368 2.695 ( 0.000 33.373 29.236) 44.368 4.358 ( 0.000 -6.123 -0.395) 6.135 4.358 ( 0.000 6.123 -0.395) 6.135 4.446 ( 0.000 -1.597 5.648) 5.870 4.446 ( 0.000 1.597 5.648) 5.870 4.593 ( 0.000 -12.238 2.091) 12.415 4.593 ( 0.000 12.238 2.091) 12.415 4.921 ( 0.000 -21.368 19.463) 28.903 4.921 ( 0.000 21.368 19.463) 28.903 5.563 ( 0.000 -1.182 -14.406) 14.455 5.563 ( 0.000 1.182 -14.406) 14.455 5.691 ( 0.000 -4.269 -6.426) 7.715 5.691 ( 0.000 4.269 -6.426) 7.715 6.153 ( 0.000 -4.954 -5.663) 7.524 6.153 ( 0.000 4.954 -5.663) 7.524 6.440 ( 0.000 -14.409 -0.627) 14.422 6.440 ( 0.000 14.409 -0.627) 14.422 6.489 ( 0.000 -0.508 -3.782) 3.816 6.489 ( 0.000 0.508 -3.782) 3.816 6.930 ( 0.000 -11.611 13.167) 17.555 6.930 ( 0.000 11.611 13.167) 17.555 7.228 ( 0.000 -5.291 -2.707) 5.943 7.228 ( 0.000 5.291 -2.707) 5.943 7.280 ( 0.000 -1.489 0.678) 1.636 7.280 ( 0.000 1.489 0.678) 1.636 7.569 ( 0.000 -7.793 -2.421) 8.160 7.569 ( 0.000 7.793 -2.421) 8.160 7.945 ( 0.000 -2.686 3.982) 4.804 7.945 ( 0.000 2.686 3.982) 4.804 8.092 ( 0.000 -1.917 5.884) 6.189 8.092 ( 0.000 1.917 5.884) 6.189 8.200 ( 0.000 -11.150 -4.682) 12.094 8.200 ( 0.000 11.150 -4.682) 12.094 8.652 ( 0.000 -2.574 1.414) 2.937 8.652 ( 0.000 2.574 1.414) 2.937 8.763 ( 0.000 -1.290 -3.063) 3.324 8.763 ( 0.000 1.290 -3.063) 3.324 9.240 ( 0.000 -3.257 8.020) 8.656 9.240 ( 0.000 3.257 8.020) 8.656 10.206 ( 0.000 -4.456 -3.796) 5.854 10.206 ( 0.000 4.456 -3.796) 5.854 11.094 ( 0.000 -14.547 -1.964) 14.679 11.094 ( 0.000 14.547 -1.964) 14.679 11.411 ( 0.000 -5.606 -2.911) 6.317 11.411 ( 0.000 5.606 -2.911) 6.317 11.763 ( 0.000 -4.073 -12.347) 13.001 11.763 ( 0.000 4.073 -12.347) 13.001 12.104 ( 0.000 -14.497 8.194) 16.653 12.104 ( 0.000 14.497 8.194) 16.653 12.685 ( 0.000 -3.398 1.857) 3.872 12.685 ( 0.000 3.398 1.857) 3.872 12.752 ( 0.000 -13.819 3.288) 14.205 12.752 ( 0.000 13.819 3.288) 14.205 12.930 ( 0.000 -1.226 8.995) 9.078 12.930 ( 0.000 1.226 8.995) 9.078 13.620 ( 0.000 -5.162 0.484) 5.185 13.620 ( 0.000 5.162 0.484) 5.185 13.722 ( 0.000 -3.891 8.717) 9.546 13.722 ( 0.000 3.891 8.717) 9.546 14.249 ( 0.000 -4.908 -12.759) 13.670 14.249 ( 0.000 4.908 -12.759) 13.670 14.722 ( 0.000 -10.712 -8.185) 13.482 14.722 ( 0.000 10.712 -8.185) 13.482 15.024 ( 0.000 -0.285 8.017) 8.022 15.024 ( 0.000 0.285 8.017) 8.022 15.463 ( 0.000 -4.239 -2.480) 4.911 15.463 ( 0.000 4.239 -2.480) 4.911 15.975 ( 0.000 -19.522 6.065) 20.443 15.975 ( 0.000 19.522 6.065) 20.443 16.339 ( 0.000 -7.823 -8.574) 11.606 16.339 ( 0.000 7.823 -8.574) 11.606 16.631 ( 0.000 -15.560 -0.154) 15.560 16.631 ( 0.000 15.560 -0.154) 15.560 17.051 ( 0.000 -27.499 3.067) 27.669 17.051 ( 0.000 27.499 3.067) 27.669 17.580 ( 0.000 -3.230 7.837) 8.476 17.580 ( 0.000 3.230 7.837) 8.476 18.579 ( 0.000 -18.962 6.440) 20.026 18.579 ( 0.000 18.962 6.440) 20.026 18.814 ( 0.000 -2.242 9.188) 9.458 18.814 ( 0.000 2.242 9.188) 9.458 19.665 ( 0.000 -11.462 -4.916) 12.472 19.665 ( 0.000 11.462 -4.916) 12.472 20.826 ( 0.000 -1.385 -1.094) 1.765 20.826 ( 0.000 1.385 -1.094) 1.765 21.047 ( 0.000 -3.030 2.335) 3.825 21.047 ( 0.000 3.030 2.335) 3.825 21.528 ( 0.000 -8.392 -3.723) 9.181 21.528 ( 0.000 8.392 -3.723) 9.181 22.275 ( 0.000 -4.343 -8.895) 9.899 22.275 ( 0.000 4.343 -8.895) 9.899 22.873 ( 0.000 -0.308 -1.725) 1.752 22.873 ( 0.000 0.308 -1.725) 1.752 ======================= Grid point 72 (30/80) ======================= q-point: ( 0.14 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.302 ( 11.231 -25.960 9.369) 29.797 2.302 ( 11.231 25.960 9.369) 29.797 2.781 ( 8.361 -30.963 28.773) 43.087 2.781 ( 8.361 30.963 28.773) 43.087 4.291 ( -6.340 -6.018 -0.611) 8.762 4.291 ( -6.340 6.018 -0.611) 8.762 4.385 ( -6.548 -10.345 5.347) 13.360 4.385 ( -6.548 10.345 5.347) 13.360 4.644 ( 4.982 -16.009 2.304) 16.924 4.644 ( 4.982 16.009 2.304) 16.924 4.924 ( 0.965 -21.497 15.658) 26.613 4.924 ( 0.965 21.497 15.658) 26.613 5.544 ( -2.177 -0.137 -11.710) 11.912 5.544 ( -2.177 0.137 -11.710) 11.912 5.714 ( 0.661 -4.907 -6.209) 7.941 5.714 ( 0.661 4.907 -6.209) 7.941 6.127 ( -2.201 -7.046 -5.803) 9.389 6.127 ( -2.201 7.046 -5.803) 9.389 6.393 ( -3.142 -4.038 -2.765) 5.815 6.393 ( -3.142 4.038 -2.765) 5.815 6.506 ( 2.427 -17.260 -0.183) 17.431 6.506 ( 2.427 17.260 -0.183) 17.431 6.946 ( -0.000 -12.605 13.394) 18.393 6.946 ( -0.000 12.605 13.394) 18.393 7.227 ( 0.727 -4.193 -2.114) 4.752 7.227 ( 0.727 4.193 -2.114) 4.752 7.297 ( 0.606 -4.157 -0.633) 4.248 7.297 ( 0.606 4.157 -0.633) 4.248 7.556 ( -0.959 -12.794 -0.411) 12.836 7.556 ( -0.959 12.794 -0.411) 12.836 7.931 ( -1.420 -4.325 3.205) 5.567 7.931 ( -1.420 4.325 3.205) 5.567 8.043 ( -4.584 -10.803 4.887) 12.712 8.043 ( -4.584 10.803 4.887) 12.712 8.186 ( -1.595 -10.295 -2.880) 10.809 8.186 ( -1.595 10.295 -2.880) 10.809 8.639 ( -0.415 -3.716 0.556) 3.780 8.639 ( -0.415 3.716 0.556) 3.780 8.837 ( 6.482 -5.085 -2.748) 8.685 8.837 ( 6.482 5.085 -2.748) 8.685 9.252 ( 1.180 -3.304 7.136) 7.952 9.252 ( 1.180 3.304 7.136) 7.952 10.253 ( 4.276 -10.107 -3.390) 11.486 10.253 ( 4.276 10.107 -3.390) 11.486 10.941 ( -11.936 -13.833 -2.368) 18.424 10.941 ( -11.936 13.833 -2.368) 18.424 11.421 ( -0.423 -2.944 -7.388) 7.964 11.421 ( -0.423 2.944 -7.388) 7.964 11.878 ( 9.782 -7.653 -7.676) 14.601 11.878 ( 9.782 7.653 -7.676) 14.601 12.130 ( 2.646 -13.559 7.417) 15.680 12.130 ( 2.646 13.559 7.417) 15.680 12.648 ( -3.487 -4.221 1.411) 5.654 12.648 ( -3.487 4.221 1.411) 5.654 12.719 ( -3.164 -12.102 4.745) 13.379 12.719 ( -3.164 12.102 4.745) 13.379 12.950 ( 1.607 -2.863 8.372) 8.993 12.950 ( 1.607 2.863 8.372) 8.993 13.647 ( 2.474 -4.889 -0.150) 5.481 13.647 ( 2.474 4.889 -0.150) 5.481 13.736 ( 1.617 -5.249 8.168) 9.843 13.736 ( 1.617 5.249 8.168) 9.843 14.250 ( 0.010 -4.162 -12.063) 12.761 14.250 ( 0.010 4.162 -12.063) 12.761 14.715 ( -0.644 -9.715 -7.476) 12.275 14.715 ( -0.644 9.715 -7.476) 12.275 15.026 ( 0.468 -1.285 7.541) 7.664 15.026 ( 0.468 1.285 7.541) 7.664 15.440 ( -2.170 -3.556 -1.993) 4.618 15.440 ( -2.170 3.556 -1.993) 4.618 15.833 ( -12.194 -10.931 6.823) 17.741 15.833 ( -12.194 10.931 6.823) 17.741 16.362 ( 2.391 -8.032 -10.002) 13.049 16.362 ( 2.391 8.032 -10.002) 13.049 16.707 ( 5.037 -4.935 -2.076) 7.351 16.707 ( 5.037 4.935 -2.076) 7.351 17.108 ( 5.559 -20.853 7.532) 22.858 17.108 ( 5.559 20.853 7.532) 22.858 17.579 ( 0.346 -6.071 6.340) 8.785 17.579 ( 0.346 6.071 6.340) 8.785 18.567 ( -1.271 -16.883 5.597) 17.832 18.567 ( -1.271 16.883 5.597) 17.832 18.840 ( 2.564 -3.368 8.676) 9.654 18.840 ( 2.564 3.368 8.676) 9.654 19.593 ( -6.874 -12.278 -4.400) 14.743 19.593 ( -6.874 12.278 -4.400) 14.743 20.846 ( 1.747 -1.686 -1.433) 2.819 20.846 ( 1.747 1.686 -1.433) 2.819 21.054 ( 0.607 -2.332 3.219) 4.021 21.054 ( 0.607 2.332 3.219) 4.021 21.528 ( 0.131 -7.825 -3.414) 8.539 21.528 ( 0.131 7.825 -3.414) 8.539 22.241 ( -3.058 -3.612 -8.443) 9.679 22.241 ( -3.058 3.612 -8.443) 9.679 22.873 ( -0.084 -0.774 -2.113) 2.252 22.873 ( -0.084 0.774 -2.113) 2.252 ======================= Grid point 74 (31/80) ======================= q-point: ( 0.29 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.583 ( 16.174 -19.271 5.362) 25.724 2.583 ( 16.174 19.271 5.362) 25.724 2.993 ( 12.312 -24.050 27.661) 38.667 2.993 ( 12.312 24.050 27.661) 38.667 4.131 ( -9.581 -3.833 0.748) 10.346 4.131 ( -9.581 3.833 0.748) 10.346 4.205 ( -10.768 -13.986 4.596) 18.239 4.205 ( -10.768 13.986 4.596) 18.239 4.762 ( 6.290 -7.721 -2.348) 10.232 4.762 ( 6.290 7.721 -2.348) 10.232 4.984 ( 5.425 -21.131 7.844) 23.184 4.984 ( 5.425 21.131 7.844) 23.184 5.477 ( -4.342 -2.602 -2.838) 5.803 5.477 ( -4.342 2.602 -2.838) 5.803 5.641 ( -8.189 -11.273 -2.558) 14.167 5.641 ( -8.189 11.273 -2.558) 14.167 6.095 ( -0.901 -4.939 -10.502) 11.640 6.095 ( -0.901 4.939 -10.502) 11.640 6.412 ( 5.118 -1.923 -1.258) 5.610 6.412 ( 5.118 1.923 -1.258) 5.610 6.559 ( 2.663 -12.339 3.077) 12.993 6.559 ( 2.663 12.339 3.077) 12.993 6.910 ( -2.999 -9.182 9.710) 13.697 6.910 ( -2.999 9.182 9.710) 13.697 7.240 ( -0.577 -3.749 -1.406) 4.045 7.240 ( -0.577 3.749 -1.406) 4.045 7.304 ( 0.912 -5.057 0.986) 5.232 7.304 ( 0.912 5.057 0.986) 5.232 7.545 ( 0.187 -15.760 2.354) 15.936 7.545 ( 0.187 15.760 2.354) 15.936 7.896 ( -2.092 -5.827 1.937) 6.487 7.896 ( -2.092 5.827 1.937) 6.487 7.926 ( -7.082 -16.361 5.253) 18.585 7.926 ( -7.082 16.361 5.253) 18.585 8.147 ( -1.885 -13.790 -0.712) 13.937 8.147 ( -1.885 13.790 -0.712) 13.937 8.644 ( 0.755 -3.761 -0.614) 3.885 8.644 ( 0.755 3.761 -0.614) 3.885 8.987 ( 8.203 -6.201 -2.662) 10.622 8.987 ( 8.203 6.201 -2.662) 10.622 9.278 ( 1.158 -2.853 5.122) 5.976 9.278 ( 1.158 2.853 5.122) 5.976 10.326 ( 1.423 -17.560 -1.737) 17.703 10.326 ( 1.423 17.560 -1.737) 17.703 10.740 ( -6.410 -14.238 -4.072) 16.137 10.740 ( -6.410 14.238 -4.072) 16.137 11.387 ( -2.722 -3.722 -11.137) 12.053 11.387 ( -2.722 3.722 -11.137) 12.053 12.076 ( 9.465 -10.350 -2.414) 14.232 12.076 ( 9.465 10.350 -2.414) 14.232 12.207 ( 5.118 -9.846 4.411) 11.942 12.207 ( 5.118 9.846 4.411) 11.942 12.561 ( -5.187 -6.144 2.277) 8.357 12.561 ( -5.187 6.144 2.277) 8.357 12.637 ( -5.072 -8.620 5.314) 11.325 12.637 ( -5.072 8.620 5.314) 11.325 12.979 ( 1.147 -2.462 8.023) 8.470 12.979 ( 1.147 2.462 8.023) 8.470 13.691 ( 1.523 -2.129 1.225) 2.890 13.691 ( 1.523 2.129 1.225) 2.890 13.796 ( 4.398 -5.208 4.231) 8.023 13.796 ( 4.398 5.208 4.231) 8.023 14.243 ( -0.815 -2.450 -9.845) 10.178 14.243 ( -0.815 2.450 -9.845) 10.178 14.700 ( -0.740 -7.002 -6.072) 9.297 14.700 ( -0.740 7.002 -6.072) 9.297 15.056 ( 2.962 -3.037 6.390) 7.670 15.056 ( 2.962 3.037 6.390) 7.670 15.389 ( -2.873 -2.450 -1.048) 3.918 15.389 ( -2.873 2.450 -1.048) 3.918 15.577 ( -12.863 -2.887 6.545) 14.718 15.577 ( -12.863 2.887 6.545) 14.718 16.420 ( 3.097 -8.326 -13.370) 16.052 16.420 ( 3.097 8.326 -13.370) 16.052 16.775 ( 2.024 -9.121 -1.554) 9.471 16.775 ( 2.024 9.121 -1.554) 9.471 17.219 ( 4.172 -11.114 15.747) 19.721 17.219 ( 4.172 11.114 15.747) 19.721 17.622 ( 4.607 -8.626 2.058) 9.994 17.622 ( 4.607 8.626 2.058) 9.994 18.529 ( -2.628 -11.479 2.815) 12.108 18.529 ( -2.628 11.479 2.815) 12.108 18.903 ( 3.610 -6.118 8.176) 10.832 18.903 ( 3.610 6.118 8.176) 10.832 19.427 ( -9.120 -12.565 -3.129) 15.838 19.427 ( -9.120 12.565 -3.129) 15.838 20.881 ( 1.508 -1.438 -2.094) 2.954 20.881 ( 1.508 1.438 -2.094) 2.954 21.064 ( 0.341 -1.031 4.644) 4.769 21.064 ( 0.341 1.031 4.644) 4.769 21.541 ( 1.218 -5.667 -2.280) 6.229 21.541 ( 1.218 5.667 -2.280) 6.229 22.176 ( -3.165 -2.288 -7.989) 8.893 22.176 ( -3.165 2.288 -7.989) 8.893 22.868 ( -0.443 -1.103 -2.782) 3.026 22.868 ( -0.443 1.103 -2.782) 3.026 ======================= Grid point 76 (32/80) ======================= q-point: ( 0.43 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.858 ( 9.398 -8.151 2.657) 12.721 2.858 ( 9.398 8.151 2.657) 12.721 3.203 ( 7.192 -10.965 28.013) 30.930 3.203 ( 7.192 10.965 28.013) 30.930 3.941 ( -7.622 -5.014 2.348) 9.421 3.941 ( -7.622 5.014 2.348) 9.421 4.033 ( -5.340 -8.369 1.607) 10.057 4.033 ( -5.340 8.369 1.607) 10.057 4.859 ( 2.952 -1.162 -12.123) 12.531 4.859 ( 2.952 1.162 -12.123) 12.531 5.118 ( 6.763 -15.659 1.416) 17.115 5.118 ( 6.763 15.659 1.416) 17.115 5.397 ( -3.019 -8.959 8.592) 12.775 5.397 ( -3.019 8.959 8.592) 12.775 5.461 ( -7.883 -7.227 4.295) 11.525 5.461 ( -7.883 7.227 4.295) 11.525 6.085 ( -0.208 -1.339 -13.684) 13.751 6.085 ( -0.208 1.339 -13.684) 13.751 6.510 ( 2.633 -1.175 -7.490) 8.026 6.510 ( 2.633 1.175 -7.490) 8.026 6.617 ( 3.161 -5.645 12.798) 14.341 6.617 ( 3.161 5.645 12.798) 14.341 6.855 ( -2.077 -4.166 5.970) 7.570 6.855 ( -2.077 4.166 5.970) 7.570 7.216 ( -1.035 -1.357 -2.746) 3.233 7.216 ( -1.035 1.357 -2.746) 3.233 7.314 ( -0.179 -3.461 2.135) 4.070 7.314 ( -0.179 3.461 2.135) 4.070 7.590 ( 4.509 -10.488 4.379) 12.227 7.590 ( 4.509 10.488 4.379) 12.227 7.762 ( -7.949 -7.271 7.068) 12.885 7.762 ( -7.949 7.271 7.068) 12.885 7.875 ( -0.673 -0.557 0.332) 0.935 7.875 ( -0.673 0.557 0.332) 0.935 8.123 ( -0.537 -5.992 1.047) 6.107 8.123 ( -0.537 5.992 1.047) 6.107 8.659 ( 0.501 -1.557 -1.435) 2.176 8.659 ( 0.501 1.557 -1.435) 2.176 9.125 ( 4.754 -3.299 -1.968) 6.112 9.125 ( 4.754 3.299 -1.968) 6.112 9.289 ( -0.074 -1.187 3.123) 3.342 9.289 ( -0.074 1.187 3.123) 3.342 10.292 ( -2.771 -8.402 -0.720) 8.876 10.292 ( -2.771 8.402 -0.720) 8.876 10.710 ( 1.111 -6.045 -4.399) 7.559 10.710 ( 1.111 6.045 -4.399) 7.559 11.336 ( -1.839 -2.106 -13.259) 13.551 11.336 ( -1.839 2.106 -13.259) 13.551 12.221 ( 4.768 -8.556 1.281) 9.878 12.221 ( 4.768 8.556 1.281) 9.878 12.320 ( 5.652 -4.195 -0.756) 7.079 12.320 ( 5.652 4.195 -0.756) 7.079 12.459 ( -4.651 -4.970 3.848) 7.819 12.459 ( -4.651 4.970 3.848) 7.819 12.535 ( -4.347 -4.388 6.360) 8.866 12.535 ( -4.347 4.388 6.360) 8.866 12.993 ( 0.358 -0.916 7.920) 7.981 12.993 ( 0.358 0.916 7.920) 7.981 13.708 ( 0.382 -0.334 2.415) 2.468 13.708 ( 0.382 0.334 2.415) 2.468 13.877 ( 2.806 -2.238 0.846) 3.687 13.877 ( 2.806 2.238 0.846) 3.687 14.222 ( -0.968 -0.639 -7.104) 7.198 14.222 ( -0.968 0.639 -7.104) 7.198 14.691 ( -0.218 -2.621 -5.510) 6.106 14.691 ( -0.218 2.621 -5.510) 6.106 15.149 ( 6.454 -4.159 6.425) 10.011 15.149 ( 6.454 4.159 6.425) 10.011 15.308 ( -7.380 -4.236 1.027) 8.571 15.308 ( -7.380 4.236 1.027) 8.571 15.386 ( -4.009 -0.892 3.276) 5.253 15.386 ( -4.009 0.892 3.276) 5.253 16.466 ( 1.363 -3.918 -16.828) 17.332 16.466 ( 1.363 3.918 -16.828) 17.332 16.798 ( 0.533 -5.060 1.434) 5.286 16.798 ( 0.533 5.060 1.434) 5.286 17.257 ( 0.449 -3.500 19.318) 19.638 17.257 ( 0.449 3.500 19.318) 19.638 17.726 ( 4.062 -4.313 1.190) 6.043 17.726 ( 4.062 4.313 1.190) 6.043 18.477 ( -1.969 -4.230 -1.060) 4.785 18.477 ( -1.969 4.230 -1.060) 4.785 18.969 ( 2.473 -5.071 9.205) 10.797 18.969 ( 2.473 5.071 9.205) 10.797 19.278 ( -4.973 -7.337 -2.606) 9.239 19.278 ( -4.973 7.337 -2.606) 9.239 20.901 ( 0.526 -0.534 -2.434) 2.546 20.901 ( 0.526 0.534 -2.434) 2.546 21.067 ( -0.031 -0.251 5.130) 5.136 21.067 ( -0.031 0.251 5.130) 5.136 21.566 ( 0.926 -2.030 -0.829) 2.380 21.566 ( 0.926 2.030 -0.829) 2.380 22.131 ( -1.283 -0.825 -8.094) 8.237 22.131 ( -1.283 0.825 -8.094) 8.237 22.860 ( -0.286 -0.531 -3.217) 3.273 22.860 ( -0.286 0.531 -3.217) 3.273 ======================= Grid point 98 (33/80) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( 0.000 0.000 38.045) 38.045 1.534 ( 0.000 0.000 39.219) 39.219 3.016 ( 0.000 0.000 71.960) 71.960 3.406 ( 0.000 0.000 -0.339) 0.339 3.737 ( 0.000 0.000 1.966) 1.966 4.170 ( 0.000 0.000 0.290) 0.290 4.398 ( 0.000 0.000 5.459) 5.459 4.647 ( 0.000 0.000 21.391) 21.391 4.968 ( 0.000 0.000 -16.264) 16.264 4.988 ( 0.000 0.000 -11.676) 11.676 5.204 ( 0.000 0.000 -15.471) 15.471 5.223 ( 0.000 0.000 -12.037) 12.037 5.277 ( 0.000 0.000 18.657) 18.657 5.603 ( 0.000 0.000 19.617) 19.617 5.663 ( 0.000 0.000 21.977) 21.977 5.709 ( 0.000 0.000 3.150) 3.150 5.739 ( 0.000 0.000 4.968) 4.968 5.851 ( 0.000 0.000 3.374) 3.374 6.376 ( 0.000 0.000 -19.202) 19.202 6.456 ( 0.000 0.000 1.042) 1.042 6.494 ( 0.000 0.000 -0.186) 0.186 6.596 ( 0.000 0.000 -7.155) 7.155 6.611 ( 0.000 0.000 3.752) 3.752 6.935 ( 0.000 0.000 -4.417) 4.417 7.170 ( 0.000 0.000 6.591) 6.591 7.191 ( 0.000 0.000 -3.185) 3.185 7.260 ( 0.000 0.000 4.661) 4.661 7.407 ( 0.000 0.000 8.404) 8.404 7.508 ( 0.000 0.000 -5.160) 5.160 7.684 ( 0.000 0.000 -7.280) 7.280 7.737 ( 0.000 0.000 6.912) 6.912 8.056 ( 0.000 0.000 -1.797) 1.797 8.132 ( 0.000 0.000 20.241) 20.241 8.411 ( 0.000 0.000 -14.927) 14.927 8.412 ( 0.000 0.000 -0.859) 0.859 8.615 ( 0.000 0.000 1.107) 1.107 8.666 ( 0.000 0.000 -7.772) 7.772 8.939 ( 0.000 0.000 1.458) 1.458 9.084 ( 0.000 0.000 11.335) 11.335 9.110 ( 0.000 0.000 3.777) 3.777 9.358 ( 0.000 0.000 0.557) 0.557 9.703 ( 0.000 0.000 2.910) 2.910 9.890 ( 0.000 0.000 -0.555) 0.555 10.127 ( 0.000 0.000 -7.933) 7.933 10.692 ( 0.000 0.000 3.136) 3.136 10.718 ( 0.000 0.000 -11.212) 11.212 10.792 ( 0.000 0.000 -8.638) 8.638 11.113 ( 0.000 0.000 -14.233) 14.233 11.525 ( 0.000 0.000 -9.003) 9.003 11.764 ( 0.000 0.000 -2.017) 2.017 11.950 ( 0.000 0.000 0.425) 0.425 12.433 ( 0.000 0.000 -5.077) 5.077 12.471 ( 0.000 0.000 10.701) 10.701 12.654 ( 0.000 0.000 7.906) 7.906 12.732 ( 0.000 0.000 -12.543) 12.543 13.014 ( 0.000 0.000 2.510) 2.510 13.155 ( 0.000 0.000 13.219) 13.219 13.204 ( 0.000 0.000 -4.658) 4.658 13.267 ( 0.000 0.000 -1.380) 1.380 13.695 ( 0.000 0.000 -14.188) 14.188 13.796 ( 0.000 0.000 14.521) 14.521 13.885 ( 0.000 0.000 6.047) 6.047 13.904 ( 0.000 0.000 -9.626) 9.626 14.551 ( 0.000 0.000 0.133) 0.133 15.004 ( 0.000 0.000 6.119) 6.119 15.063 ( 0.000 0.000 13.557) 13.557 15.137 ( 0.000 0.000 11.118) 11.118 15.152 ( 0.000 0.000 -3.417) 3.417 15.360 ( 0.000 0.000 15.260) 15.260 15.393 ( 0.000 0.000 12.063) 12.063 15.636 ( 0.000 0.000 4.065) 4.065 15.659 ( 0.000 0.000 -5.980) 5.980 16.024 ( 0.000 0.000 10.173) 10.173 16.201 ( 0.000 0.000 1.809) 1.809 16.360 ( 0.000 0.000 -15.499) 15.499 16.857 ( 0.000 0.000 2.987) 2.987 16.967 ( 0.000 0.000 -1.337) 1.337 17.449 ( 0.000 0.000 1.121) 1.121 17.539 ( 0.000 0.000 2.996) 2.996 18.549 ( 0.000 0.000 -9.486) 9.486 18.583 ( 0.000 0.000 -0.809) 0.809 18.913 ( 0.000 0.000 -13.591) 13.591 19.016 ( 0.000 0.000 4.861) 4.861 19.179 ( 0.000 0.000 9.140) 9.140 20.136 ( 0.000 0.000 -3.533) 3.533 20.151 ( 0.000 0.000 8.840) 8.840 20.255 ( 0.000 0.000 7.646) 7.646 20.606 ( 0.000 0.000 11.585) 11.585 20.726 ( 0.000 0.000 -3.782) 3.782 20.922 ( 0.000 0.000 -0.421) 0.421 21.558 ( 0.000 0.000 2.049) 2.049 21.606 ( 0.000 0.000 -4.562) 4.562 21.849 ( 0.000 0.000 -4.973) 4.973 21.952 ( 0.000 0.000 -8.133) 8.133 22.751 ( 0.000 0.000 -4.075) 4.075 22.778 ( 0.000 0.000 -2.051) 2.051 ======================= Grid point 99 (34/80) ======================= q-point: ( 0.14 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( 17.438 0.000 30.635) 35.251 1.706 ( 16.380 0.000 33.972) 37.715 3.205 ( 18.003 0.000 65.962) 68.375 3.432 ( 2.050 0.000 -2.899) 3.550 3.666 ( -6.815 0.000 3.804) 7.804 4.160 ( -1.169 0.000 -2.948) 3.172 4.421 ( 1.930 0.000 3.378) 3.890 4.459 ( -15.941 0.000 17.971) 24.022 4.942 ( -2.349 0.000 -13.946) 14.143 4.972 ( -1.444 0.000 -10.177) 10.279 5.203 ( -0.446 0.000 -0.896) 1.001 5.211 ( -1.646 0.000 -11.124) 11.245 5.310 ( 2.114 0.000 7.752) 8.035 5.572 ( -2.551 0.000 13.434) 13.674 5.620 ( -4.073 0.000 24.346) 24.685 5.690 ( -1.797 0.000 4.039) 4.420 5.731 ( 0.949 0.000 9.597) 9.644 5.934 ( 4.818 0.000 2.854) 5.600 6.314 ( -6.750 0.000 -14.019) 15.559 6.432 ( -0.924 0.000 -6.893) 6.954 6.486 ( -5.691 0.000 0.884) 5.760 6.616 ( 3.227 0.000 -1.535) 3.573 6.623 ( 5.749 0.000 2.245) 6.172 7.033 ( 7.856 0.000 -3.821) 8.736 7.091 ( -4.487 0.000 2.310) 5.046 7.160 ( -0.609 0.000 5.276) 5.311 7.315 ( -3.217 0.000 -2.964) 4.375 7.373 ( -1.108 0.000 8.853) 8.922 7.557 ( 3.594 0.000 4.102) 5.454 7.587 ( -11.776 0.000 5.730) 13.096 7.712 ( 4.562 0.000 -11.982) 12.821 8.064 ( 0.605 0.000 6.857) 6.883 8.173 ( 2.149 0.000 11.626) 11.823 8.242 ( -8.132 0.000 -9.318) 12.367 8.491 ( 0.562 0.000 -5.069) 5.100 8.583 ( -3.075 0.000 1.791) 3.558 8.623 ( -2.886 0.000 -2.655) 3.921 8.887 ( -4.473 0.000 1.089) 4.604 9.130 ( 4.211 0.000 9.362) 10.266 9.151 ( 3.785 0.000 3.244) 4.985 9.447 ( 8.247 0.000 -0.584) 8.268 9.711 ( 0.697 0.000 2.401) 2.500 9.955 ( 6.142 0.000 -0.592) 6.171 10.204 ( 7.401 0.000 -7.676) 10.663 10.672 ( -4.162 0.000 -10.633) 11.418 10.770 ( -0.554 0.000 -8.057) 8.076 10.915 ( 16.159 0.000 -9.048) 18.519 11.148 ( 2.882 0.000 -16.017) 16.274 11.382 ( -11.028 0.000 -6.735) 12.922 11.748 ( -1.588 0.000 0.421) 1.643 12.050 ( 7.534 0.000 -1.933) 7.778 12.328 ( -6.119 0.000 -0.135) 6.120 12.563 ( 4.674 0.000 5.225) 7.010 12.601 ( -4.681 0.000 9.884) 10.936 12.719 ( -1.260 0.000 -13.817) 13.874 12.987 ( -2.903 0.000 -8.093) 8.598 13.132 ( -1.659 0.000 13.089) 13.194 13.184 ( 0.170 0.000 10.030) 10.032 13.379 ( 8.385 0.000 -5.888) 10.246 13.731 ( 2.940 0.000 -9.733) 10.168 13.810 ( 1.721 0.000 11.408) 11.537 13.880 ( 1.073 0.000 -0.862) 1.376 13.940 ( 2.207 0.000 -2.304) 3.191 14.495 ( -5.437 0.000 -1.386) 5.611 14.958 ( -3.110 0.000 10.030) 10.501 15.102 ( 0.435 0.000 2.971) 3.003 15.143 ( 2.666 0.000 16.538) 16.752 15.147 ( -0.795 0.000 -1.643) 1.825 15.252 ( -8.269 0.000 15.242) 17.341 15.406 ( -0.818 0.000 5.277) 5.340 15.624 ( -0.988 0.000 7.094) 7.162 15.668 ( 0.438 0.000 -1.608) 1.666 15.921 ( -9.039 0.000 5.674) 10.673 16.033 ( -12.999 0.000 6.074) 14.349 16.419 ( 4.699 0.000 -14.324) 15.075 16.869 ( -6.563 0.000 6.129) 8.980 17.053 ( 8.558 0.000 -1.800) 8.745 17.377 ( -3.686 0.000 11.242) 11.830 17.519 ( 6.512 0.000 4.895) 8.147 18.434 ( -9.777 0.000 -9.209) 13.431 18.546 ( 0.145 0.000 -6.557) 6.559 18.988 ( 0.975 0.000 7.018) 7.085 19.043 ( 2.422 0.000 1.122) 2.669 19.254 ( 4.378 0.000 -6.946) 8.211 20.154 ( 0.375 0.000 9.391) 9.398 20.227 ( 3.465 0.000 4.133) 5.394 20.331 ( 10.940 0.000 -1.858) 11.096 20.604 ( -0.218 0.000 11.518) 11.520 20.730 ( 0.438 0.000 -3.999) 4.023 20.919 ( -0.698 0.000 0.557) 0.893 21.437 ( -9.054 0.000 2.952) 9.523 21.597 ( -0.979 0.000 -4.276) 4.386 21.859 ( 0.156 0.000 -6.523) 6.525 21.941 ( -1.081 0.000 -8.083) 8.155 22.754 ( 0.209 0.000 -4.367) 4.372 22.770 ( -0.501 0.000 -2.540) 2.589 ======================= Grid point 100 (35/80) ======================= q-point: ( 0.29 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.090 ( 24.995 0.000 18.130) 30.878 2.110 ( 23.407 0.000 24.145) 33.629 3.394 ( -11.133 0.000 12.431) 16.688 3.427 ( -5.067 0.000 -6.802) 8.482 3.736 ( 23.896 0.000 48.992) 54.509 4.125 ( -14.480 0.000 13.375) 19.712 4.128 ( -1.119 0.000 -10.714) 10.772 4.485 ( 3.617 0.000 1.622) 3.964 4.897 ( -1.534 0.000 -8.643) 8.778 4.944 ( -1.136 0.000 -6.972) 7.064 5.138 ( -5.956 0.000 -7.638) 9.686 5.183 ( -1.801 0.000 2.679) 3.228 5.336 ( 0.556 0.000 8.310) 8.328 5.484 ( -6.426 0.000 9.445) 11.424 5.569 ( 0.187 0.000 24.165) 24.166 5.657 ( -1.157 0.000 2.006) 2.316 5.758 ( 0.428 0.000 13.626) 13.632 5.927 ( -7.101 0.000 9.140) 11.574 6.177 ( -5.262 0.000 -9.865) 11.180 6.343 ( -7.218 0.000 2.321) 7.582 6.455 ( 3.958 0.000 -10.345) 11.076 6.713 ( 5.939 0.000 2.193) 6.331 6.748 ( 4.133 0.000 3.304) 5.291 7.017 ( -3.805 0.000 4.082) 5.580 7.115 ( -0.087 0.000 6.596) 6.597 7.198 ( -5.908 0.000 -1.253) 6.040 7.234 ( 8.464 0.000 -4.343) 9.514 7.341 ( -2.411 0.000 1.167) 2.678 7.387 ( -7.199 0.000 2.751) 7.707 7.567 ( -1.987 0.000 4.052) 4.513 7.875 ( 9.603 0.000 -6.656) 11.684 8.084 ( 1.341 0.000 3.913) 4.137 8.147 ( -1.314 0.000 -8.001) 8.108 8.174 ( -1.897 0.000 10.909) 11.072 8.450 ( -3.854 0.000 -2.927) 4.840 8.507 ( -4.407 0.000 1.252) 4.581 8.589 ( -0.354 0.000 1.241) 1.290 8.791 ( -5.037 0.000 0.854) 5.109 9.222 ( 4.652 0.000 6.321) 7.848 9.237 ( 4.420 0.000 3.022) 5.354 9.633 ( 9.454 0.000 -1.731) 9.611 9.731 ( 1.461 0.000 1.440) 2.051 10.104 ( 8.412 0.000 -1.233) 8.502 10.361 ( 6.308 0.000 -7.031) 9.446 10.587 ( -3.418 0.000 -9.548) 10.141 10.774 ( 2.664 0.000 -10.104) 10.449 11.010 ( -10.873 0.000 -12.738) 16.747 11.183 ( -0.428 0.000 -20.601) 20.605 11.351 ( 11.162 0.000 -9.032) 14.358 11.712 ( -1.766 0.000 5.588) 5.861 12.178 ( 4.596 0.000 -4.870) 6.696 12.221 ( -4.462 0.000 -1.922) 4.858 12.507 ( -3.872 0.000 13.255) 13.809 12.610 ( -0.994 0.000 7.219) 7.287 12.707 ( 1.410 0.000 -16.768) 16.827 12.915 ( -4.081 0.000 -12.577) 13.223 13.117 ( 0.362 0.000 13.209) 13.214 13.191 ( -0.051 0.000 11.925) 11.925 13.556 ( 9.166 0.000 -2.100) 9.403 13.777 ( 1.506 0.000 3.907) 4.187 13.872 ( 4.276 0.000 -0.276) 4.285 13.936 ( 3.675 0.000 0.411) 3.698 13.981 ( 2.540 0.000 -2.939) 3.885 14.355 ( -8.347 0.000 -4.014) 9.262 14.897 ( -3.162 0.000 11.457) 11.885 15.041 ( -10.111 0.000 12.522) 16.095 15.078 ( -1.488 0.000 0.859) 1.718 15.140 ( -2.206 0.000 -0.692) 2.312 15.238 ( 5.949 0.000 13.619) 14.861 15.374 ( -1.603 0.000 0.318) 1.635 15.585 ( -4.301 0.000 10.602) 11.441 15.641 ( -4.144 0.000 0.799) 4.221 15.751 ( -5.858 0.000 2.288) 6.288 15.819 ( -7.270 0.000 17.248) 18.718 16.492 ( 2.193 0.000 -12.274) 12.469 16.641 ( -10.430 0.000 6.138) 12.102 17.286 ( 14.719 0.000 -3.731) 15.184 17.500 ( 10.342 0.000 12.901) 16.535 17.662 ( 7.038 0.000 11.317) 13.327 18.223 ( -12.222 0.000 -12.396) 17.408 18.578 ( 3.583 0.000 -0.900) 3.694 18.949 ( -4.311 0.000 12.966) 13.664 19.095 ( 2.651 0.000 -5.736) 6.319 19.272 ( -1.945 0.000 -11.199) 11.367 20.169 ( 1.299 0.000 10.388) 10.469 20.258 ( 0.506 0.000 7.331) 7.349 20.548 ( 7.763 0.000 0.806) 7.804 20.599 ( -0.227 0.000 11.668) 11.671 20.742 ( 0.788 0.000 -4.709) 4.774 20.866 ( -4.796 0.000 2.160) 5.260 21.337 ( 0.413 0.000 -2.733) 2.764 21.566 ( -2.234 0.000 -3.790) 4.399 21.850 ( -0.674 0.000 -7.422) 7.452 21.912 ( -1.832 0.000 -7.979) 8.187 22.759 ( 0.252 0.000 -5.065) 5.071 22.765 ( -0.080 0.000 -4.092) 4.093 ======================= Grid point 101 (36/80) ======================= q-point: ( 0.43 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.563 ( 21.049 0.000 13.527) 25.021 2.581 ( 22.616 0.000 6.258) 23.466 3.093 ( -15.907 0.000 14.189) 21.316 3.169 ( -19.190 0.000 3.413) 19.491 3.982 ( -0.987 0.000 0.974) 1.387 4.000 ( -0.480 0.000 2.459) 2.505 4.326 ( 20.060 0.000 20.324) 28.557 4.529 ( -0.929 0.000 6.712) 6.776 4.901 ( 1.855 0.000 -6.352) 6.617 4.933 ( -0.109 0.000 -5.638) 5.639 5.020 ( -3.545 0.000 -3.390) 4.905 5.101 ( -7.464 0.000 3.010) 8.048 5.332 ( -0.184 0.000 14.374) 14.375 5.372 ( -4.350 0.000 15.453) 16.053 5.616 ( 4.200 0.000 17.651) 18.144 5.655 ( 1.305 0.000 0.507) 1.400 5.713 ( -4.855 0.000 16.845) 17.531 5.738 ( -8.187 0.000 5.904) 10.093 6.146 ( 1.871 0.000 -2.858) 3.415 6.221 ( -5.248 0.000 2.267) 5.717 6.578 ( 7.743 0.000 -6.383) 10.034 6.723 ( -5.986 0.000 0.482) 6.005 6.827 ( 5.560 0.000 5.079) 7.531 6.930 ( -5.009 0.000 5.117) 7.161 7.121 ( 1.002 0.000 4.513) 4.623 7.140 ( -0.778 0.000 0.643) 1.009 7.297 ( -1.298 0.000 -4.727) 4.902 7.298 ( -1.413 0.000 -3.573) 3.842 7.404 ( 6.781 0.000 1.079) 6.866 7.507 ( -3.951 0.000 2.439) 4.643 8.016 ( 4.459 0.000 -1.061) 4.584 8.081 ( -2.577 0.000 0.093) 2.579 8.153 ( 1.097 0.000 7.332) 7.413 8.162 ( 1.199 0.000 -2.478) 2.752 8.386 ( -1.260 0.000 -2.507) 2.806 8.422 ( -3.939 0.000 -1.200) 4.118 8.615 ( 3.001 0.000 2.339) 3.805 8.695 ( -4.764 0.000 1.603) 5.027 9.293 ( 2.271 0.000 4.550) 5.085 9.301 ( 1.632 0.000 3.624) 3.974 9.764 ( 3.122 0.000 -1.069) 3.300 9.766 ( 1.750 0.000 0.199) 1.762 10.264 ( 7.622 0.000 -2.531) 8.031 10.382 ( -3.657 0.000 -4.234) 5.595 10.588 ( 4.470 0.000 -9.330) 10.346 10.759 ( -12.114 0.000 -9.343) 15.298 10.912 ( 10.221 0.000 -16.881) 19.735 11.102 ( -7.820 0.000 -21.107) 22.509 11.558 ( 8.384 0.000 -6.631) 10.690 11.670 ( -3.303 0.000 2.711) 4.274 12.174 ( 0.029 0.000 -2.165) 2.166 12.203 ( -1.577 0.000 -3.611) 3.941 12.487 ( 1.897 0.000 11.227) 11.387 12.551 ( -3.877 0.000 6.154) 7.273 12.763 ( 3.513 0.000 -13.707) 14.151 12.836 ( -3.921 0.000 -13.308) 13.874 13.141 ( 1.802 0.000 12.736) 12.862 13.175 ( -1.478 0.000 11.880) 11.972 13.716 ( 6.510 0.000 2.497) 6.972 13.787 ( -0.930 0.000 7.013) 7.074 13.947 ( 2.669 0.000 -2.096) 3.393 13.968 ( 0.136 0.000 2.092) 2.097 14.070 ( 5.609 0.000 -5.760) 8.040 14.194 ( -7.518 0.000 -5.497) 9.313 14.845 ( -1.460 0.000 10.267) 10.371 14.877 ( -5.383 0.000 9.401) 10.833 15.066 ( 0.484 0.000 -0.413) 0.636 15.095 ( -2.256 0.000 -0.495) 2.310 15.363 ( 6.494 0.000 11.083) 12.845 15.372 ( 1.738 0.000 1.014) 2.013 15.463 ( -5.746 0.000 2.158) 6.138 15.517 ( -7.346 0.000 4.463) 8.596 15.715 ( 0.548 0.000 12.932) 12.943 15.741 ( -2.070 0.000 19.471) 19.580 16.509 ( 0.077 0.000 -8.876) 8.876 16.524 ( -2.321 0.000 -2.784) 3.624 17.589 ( 14.323 0.000 -0.835) 14.347 17.666 ( 5.146 0.000 16.607) 17.386 17.764 ( 3.860 0.000 9.009) 9.801 17.958 ( -14.395 0.000 -12.094) 18.801 18.687 ( 7.151 0.000 5.442) 8.986 18.833 ( -7.198 0.000 10.856) 13.026 19.147 ( 2.888 0.000 -10.689) 11.073 19.211 ( -3.577 0.000 -11.927) 12.452 20.205 ( 2.294 0.000 10.413) 10.663 20.247 ( -1.599 0.000 8.814) 8.958 20.599 ( 0.391 0.000 12.650) 12.656 20.611 ( -0.140 0.000 11.710) 11.711 20.760 ( 0.974 0.000 -5.831) 5.912 20.787 ( -2.340 0.000 -4.657) 5.212 21.412 ( 5.393 0.000 -4.865) 7.263 21.506 ( -3.950 0.000 -3.923) 5.567 21.848 ( 0.635 0.000 -7.776) 7.801 21.874 ( -1.855 0.000 -7.922) 8.137 22.763 ( 0.152 0.000 -5.634) 5.636 22.764 ( -0.029 0.000 -5.388) 5.388 ======================= Grid point 105 (37/80) ======================= q-point: ( 0.00 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( 0.000 16.190 34.202) 37.840 1.963 ( 0.000 34.401 29.699) 45.447 3.220 ( 0.000 8.101 43.465) 44.214 3.345 ( 0.000 6.092 25.157) 25.884 3.808 ( 0.000 6.223 3.014) 6.915 4.173 ( 0.000 -1.063 5.812) 5.908 4.442 ( 0.000 3.760 4.320) 5.728 4.648 ( 0.000 0.676 16.513) 16.527 4.745 ( 0.000 -18.264 -0.154) 18.264 4.987 ( 0.000 2.534 -17.666) 17.847 5.145 ( 0.000 -7.837 -8.468) 11.538 5.205 ( 0.000 3.859 4.776) 6.140 5.334 ( 0.000 0.622 -10.069) 10.088 5.475 ( 0.000 -9.254 16.153) 18.616 5.644 ( 0.000 3.935 14.995) 15.503 5.795 ( 0.000 5.396 0.556) 5.424 5.907 ( 0.000 9.375 5.950) 11.104 5.999 ( 0.000 11.157 1.426) 11.247 6.161 ( 0.000 -13.706 -10.751) 17.419 6.468 ( 0.000 0.189 1.350) 1.363 6.506 ( 0.000 -6.162 -12.460) 13.901 6.581 ( 0.000 6.268 -3.613) 7.235 6.828 ( 0.000 12.174 -0.752) 12.197 6.897 ( 0.000 -0.057 3.217) 3.217 7.179 ( 0.000 0.928 -2.632) 2.791 7.225 ( 0.000 -4.263 7.172) 8.343 7.278 ( 0.000 9.439 5.021) 10.691 7.397 ( 0.000 -2.686 6.428) 6.967 7.494 ( 0.000 -11.863 -8.163) 14.400 7.553 ( 0.000 1.343 2.778) 3.086 7.818 ( 0.000 7.539 -0.941) 7.597 8.021 ( 0.000 -7.311 14.250) 16.016 8.128 ( 0.000 2.782 1.320) 3.079 8.371 ( 0.000 -3.688 -3.310) 4.955 8.410 ( 0.000 -4.388 5.729) 7.216 8.516 ( 0.000 -4.909 -6.215) 7.920 8.572 ( 0.000 -2.292 2.331) 3.269 8.740 ( 0.000 -10.926 -0.640) 10.945 9.140 ( 0.000 3.102 8.971) 9.492 9.310 ( 0.000 9.406 5.841) 11.072 9.457 ( 0.000 -19.957 5.581) 20.723 9.688 ( 0.000 15.874 -10.650) 19.116 9.783 ( 0.000 -23.491 -5.947) 24.232 9.873 ( 0.000 1.607 -3.772) 4.100 10.533 ( 0.000 1.267 -11.937) 12.004 10.899 ( 0.000 14.857 1.782) 14.963 11.158 ( 0.000 3.888 -18.426) 18.831 11.198 ( 0.000 16.555 -7.400) 18.134 11.524 ( 0.000 0.445 -10.803) 10.812 11.741 ( 0.000 -3.499 3.606) 5.025 11.891 ( 0.000 -2.997 -0.533) 3.044 12.365 ( 0.000 -4.959 -0.273) 4.967 12.489 ( 0.000 1.574 -0.643) 1.700 12.544 ( 0.000 6.219 8.926) 10.879 13.049 ( 0.000 2.961 4.655) 5.517 13.070 ( 0.000 -7.874 11.484) 13.924 13.178 ( 0.000 -3.117 -3.042) 4.356 13.235 ( 0.000 21.202 -9.652) 23.296 13.267 ( 0.000 4.546 -2.561) 5.218 13.678 ( 0.000 -0.781 -11.216) 11.243 13.752 ( 0.000 -2.059 14.889) 15.031 13.867 ( 0.000 -1.891 4.294) 4.692 13.901 ( 0.000 0.127 -9.385) 9.385 14.376 ( 0.000 -13.400 0.659) 13.416 14.892 ( 0.000 -14.453 19.700) 24.433 15.031 ( 0.000 -4.826 6.269) 7.911 15.104 ( 0.000 2.366 -1.429) 2.764 15.209 ( 0.000 3.229 3.056) 4.446 15.414 ( 0.000 0.732 13.445) 13.465 15.418 ( 0.000 3.193 4.237) 5.305 15.587 ( 0.000 0.782 10.595) 10.624 15.776 ( 0.000 9.729 -8.066) 12.638 16.084 ( 0.000 6.794 4.927) 8.392 16.318 ( 0.000 -3.649 -14.383) 14.838 16.351 ( 0.000 13.100 6.794) 14.757 16.751 ( 0.000 -10.452 1.299) 10.532 17.003 ( 0.000 0.497 -2.487) 2.536 17.474 ( 0.000 4.214 4.266) 5.996 17.569 ( 0.000 2.896 4.712) 5.531 17.818 ( 0.000 -27.901 2.577) 28.020 18.917 ( 0.000 0.772 -6.568) 6.614 19.005 ( 0.000 3.144 14.633) 14.967 19.069 ( 0.000 4.414 -0.619) 4.457 19.214 ( 0.000 -5.294 -5.126) 7.369 19.890 ( 0.000 -24.639 9.467) 26.395 19.981 ( 0.000 -10.137 3.432) 10.702 20.274 ( 0.000 15.826 -7.441) 17.488 20.732 ( 0.000 0.817 -3.738) 3.827 20.878 ( 0.000 15.539 9.516) 18.222 20.906 ( 0.000 -2.298 -0.643) 2.386 21.377 ( 0.000 -2.230 4.303) 4.847 21.774 ( 0.000 -6.958 -5.794) 9.054 21.929 ( 0.000 13.575 -9.924) 16.815 21.970 ( 0.000 1.801 -8.440) 8.630 22.774 ( 0.000 1.953 -3.714) 4.196 22.790 ( 0.000 1.136 -2.130) 2.414 ======================= Grid point 106 (38/80) ======================= q-point: ( 0.14 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( 14.479 14.082 29.105) 35.426 2.093 ( 12.636 31.132 26.821) 42.991 3.309 ( 3.453 -10.620 6.353) 12.848 3.442 ( 13.388 22.246 54.378) 60.259 3.761 ( -3.843 8.297 3.921) 9.949 4.174 ( -0.688 0.437 3.814) 3.900 4.450 ( -1.044 1.540 4.556) 4.921 4.487 ( -12.171 3.381 11.841) 17.314 4.725 ( -1.308 -19.178 1.496) 19.280 4.946 ( -4.219 1.149 -13.417) 14.111 5.082 ( -4.035 -10.135 -6.734) 12.819 5.210 ( 0.381 4.296 2.246) 4.863 5.392 ( 2.578 0.643 -7.232) 7.704 5.462 ( -1.885 -6.838 13.771) 15.490 5.618 ( -2.312 3.145 11.193) 11.854 5.806 ( 0.586 6.758 6.439) 9.353 5.876 ( -0.865 10.397 6.385) 12.232 5.990 ( -4.171 -0.859 -2.479) 4.928 6.225 ( 8.142 -5.336 -7.945) 12.565 6.382 ( -7.511 0.816 -6.609) 10.037 6.528 ( 0.219 1.794 -1.434) 2.307 6.629 ( 3.741 1.744 -0.282) 4.138 6.777 ( -2.182 9.346 0.117) 9.598 6.943 ( 3.273 -1.883 0.801) 3.861 7.121 ( -0.358 0.245 2.097) 2.142 7.236 ( -3.625 4.405 4.661) 7.367 7.355 ( 4.431 -0.234 2.154) 4.932 7.367 ( -3.234 0.485 6.890) 7.626 7.459 ( -3.948 -6.658 -3.432) 8.467 7.528 ( -1.194 -0.929 3.181) 3.523 7.811 ( 1.323 8.077 -3.990) 9.105 7.984 ( -0.924 -7.030 9.383) 11.761 8.169 ( 1.347 0.107 4.182) 4.395 8.302 ( -3.891 0.313 0.394) 3.924 8.444 ( 0.125 -3.302 -0.632) 3.365 8.495 ( -0.632 -5.130 0.909) 5.248 8.577 ( -0.389 -2.756 -1.206) 3.033 8.763 ( 1.590 -8.733 -0.533) 8.893 9.169 ( 2.789 2.309 7.769) 8.571 9.293 ( -1.752 8.848 4.247) 9.970 9.467 ( 0.915 -16.980 3.139) 17.292 9.677 ( 2.447 7.371 -1.848) 7.983 9.817 ( 2.972 -28.508 -5.621) 29.208 9.955 ( 5.474 7.297 -7.144) 11.587 10.542 ( 2.856 0.410 -10.440) 10.832 11.025 ( 4.071 5.642 -8.817) 11.232 11.085 ( -3.745 10.616 -11.782) 16.295 11.233 ( 1.390 7.251 -14.822) 16.559 11.408 ( -3.956 3.685 -5.156) 7.470 11.765 ( 0.518 2.534 2.557) 3.637 11.986 ( 6.931 -3.289 -1.766) 7.872 12.350 ( -1.856 -6.389 1.579) 6.838 12.424 ( -3.568 6.201 -0.667) 7.186 12.590 ( 2.113 2.284 7.655) 8.263 12.958 ( -4.462 0.473 1.434) 4.711 13.093 ( -0.802 1.109 15.665) 15.724 13.148 ( -2.205 1.515 -9.060) 9.447 13.245 ( 0.371 10.721 -4.296) 11.556 13.364 ( 8.472 4.424 -2.588) 9.902 13.710 ( 2.956 -1.318 -10.284) 10.782 13.755 ( 0.411 -2.496 14.552) 14.770 13.860 ( 0.828 -1.820 -0.633) 2.097 13.938 ( 2.349 -0.150 -3.638) 4.333 14.339 ( -3.584 -12.189 -0.241) 12.707 14.867 ( -2.235 -12.207 18.526) 22.299 15.027 ( -0.787 -6.269 6.090) 8.776 15.098 ( -0.349 2.752 -0.686) 2.858 15.201 ( -1.610 1.905 3.531) 4.323 15.390 ( -1.045 7.516 12.081) 14.267 15.425 ( -0.083 -0.239 3.890) 3.898 15.566 ( -2.550 -0.618 10.597) 10.917 15.729 ( -4.087 6.775 -5.560) 9.670 15.964 ( -9.448 4.723 -0.749) 10.590 16.189 ( -12.518 11.797 8.833) 19.337 16.399 ( 5.754 -1.055 -11.102) 12.549 16.762 ( -0.675 -7.664 2.323) 8.037 17.129 ( 9.302 3.363 -2.117) 10.115 17.418 ( -3.079 3.317 12.995) 13.760 17.549 ( 5.409 4.567 5.859) 9.190 17.977 ( 8.603 -22.508 -3.388) 24.333 18.798 ( -9.567 6.294 -10.687) 15.664 18.974 ( -2.403 1.722 6.829) 7.441 19.033 ( -1.799 -3.180 9.826) 10.484 19.267 ( 2.143 -4.848 -4.503) 6.955 19.854 ( -2.623 -24.136 10.001) 26.257 20.000 ( 0.827 -14.128 4.512) 14.855 20.436 ( 13.179 13.567 -8.449) 20.716 20.737 ( 0.536 0.964 -3.904) 4.057 20.874 ( -0.272 14.991 9.239) 17.611 20.922 ( 1.507 -0.447 0.513) 1.654 21.347 ( -2.569 -0.604 3.708) 4.552 21.728 ( -4.206 -1.935 -4.508) 6.462 21.903 ( -1.991 8.280 -9.504) 12.761 21.960 ( -1.122 2.036 -8.944) 9.241 22.765 ( -0.760 1.195 -3.630) 3.896 22.790 ( 0.041 1.584 -3.079) 3.463 ======================= Grid point 107 (39/80) ======================= q-point: ( 0.29 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.176 ( 22.267 10.186 19.405) 31.243 2.420 ( 19.889 24.834 20.149) 37.660 3.285 ( -6.572 -7.555 2.800) 10.397 3.585 ( -6.058 11.385 1.591) 12.994 3.890 ( 17.493 14.424 42.356) 48.042 4.075 ( -8.378 -0.192 15.591) 17.701 4.241 ( -4.459 6.913 -4.935) 9.593 4.503 ( 3.018 -0.250 -0.111) 3.031 4.736 ( 3.199 -18.465 4.169) 19.199 4.838 ( -5.906 -2.118 -5.196) 8.146 5.005 ( -3.970 -13.008 0.136) 13.601 5.209 ( -1.022 6.851 -2.373) 7.322 5.378 ( -4.835 -7.778 14.825) 17.426 5.398 ( -3.564 5.737 -9.352) 11.536 5.588 ( 0.173 1.102 10.598) 10.656 5.792 ( -3.146 4.994 8.488) 10.338 5.832 ( -3.915 4.675 3.914) 7.246 5.909 ( -3.690 -0.321 2.289) 4.354 6.269 ( -2.817 7.819 -2.153) 8.585 6.396 ( 3.637 -2.915 -5.402) 7.135 6.461 ( -0.145 8.989 2.262) 9.271 6.692 ( 3.042 0.346 1.564) 3.437 6.814 ( 2.682 4.663 1.633) 5.622 6.982 ( -0.348 -1.010 2.480) 2.700 7.120 ( -1.546 1.283 4.550) 4.974 7.175 ( -0.960 -5.791 2.572) 6.409 7.303 ( -2.286 -0.130 3.361) 4.067 7.314 ( -3.614 3.266 0.105) 4.872 7.399 ( -2.663 4.109 -0.852) 4.970 7.524 ( -0.089 -2.475 2.749) 3.700 7.904 ( 6.342 1.808 -1.902) 6.863 8.010 ( 3.203 -6.085 5.627) 8.885 8.152 ( -2.284 0.048 3.514) 4.191 8.244 ( -2.402 1.704 1.122) 3.151 8.421 ( -1.501 -0.649 -2.769) 3.216 8.482 ( -1.837 -0.566 2.564) 3.204 8.565 ( 0.184 -4.108 -0.082) 4.113 8.764 ( -1.976 -3.172 -0.356) 3.754 9.236 ( 3.534 1.484 5.446) 6.660 9.279 ( 0.995 1.971 2.135) 3.072 9.506 ( 3.332 -13.920 1.992) 14.451 9.777 ( 4.397 -1.451 0.394) 4.647 9.865 ( 2.930 -29.087 -3.920) 29.495 10.057 ( 4.947 6.434 -6.220) 10.225 10.669 ( 9.301 0.348 -9.827) 13.535 10.888 ( -9.333 0.443 -13.571) 16.477 11.000 ( -8.747 1.902 -12.927) 15.723 11.222 ( -2.564 1.826 -17.783) 18.060 11.540 ( 12.176 13.888 -6.655) 19.632 11.777 ( 1.218 7.084 5.185) 8.863 12.072 ( 1.282 -1.278 -3.332) 3.792 12.266 ( -6.229 -2.390 -0.023) 6.672 12.421 ( 3.100 2.181 2.395) 4.483 12.602 ( -0.789 0.188 8.535) 8.573 12.906 ( -0.856 3.476 -0.521) 3.618 13.045 ( -3.650 6.265 4.326) 8.444 13.129 ( 0.457 2.010 -1.293) 2.433 13.236 ( -1.284 5.146 -1.128) 5.423 13.543 ( 9.065 2.217 0.503) 9.346 13.752 ( 0.702 -1.389 6.709) 6.887 13.795 ( 3.889 -4.260 -0.663) 5.806 13.906 ( 3.129 -2.727 -0.721) 4.213 13.975 ( 1.663 -0.801 -2.220) 2.887 14.245 ( -5.743 -9.041 -2.250) 10.944 14.822 ( -1.936 -7.622 15.918) 17.755 14.978 ( -4.625 -5.989 6.732) 10.128 15.096 ( -0.044 2.844 -0.362) 2.867 15.143 ( -3.151 1.551 2.475) 4.297 15.385 ( -1.362 11.205 5.622) 12.610 15.407 ( -0.439 -0.278 6.412) 6.433 15.497 ( -3.531 -4.188 7.751) 9.492 15.637 ( -4.851 -0.366 4.366) 6.536 15.810 ( -4.968 7.355 -5.092) 10.232 15.968 ( -9.209 10.299 10.287) 17.225 16.493 ( 3.762 1.759 -7.272) 8.374 16.697 ( -4.702 3.795 2.138) 6.409 17.331 ( 12.567 4.000 -3.536) 13.654 17.513 ( 9.290 0.131 14.271) 17.029 17.665 ( 4.999 1.496 11.058) 12.227 18.066 ( -0.604 -12.329 -5.071) 13.345 18.651 ( -3.545 3.322 -7.819) 9.205 18.929 ( -2.929 -0.966 7.767) 8.356 18.996 ( -1.207 -6.931 3.744) 7.969 19.256 ( -3.468 -3.777 -6.660) 8.406 19.826 ( 0.284 -24.707 11.781) 27.373 19.992 ( -1.785 -18.223 6.539) 19.443 20.657 ( 7.793 8.998 -5.539) 13.129 20.753 ( 0.997 1.300 -4.637) 4.918 20.870 ( -0.102 15.190 9.468) 17.900 20.944 ( -0.188 5.078 4.721) 6.936 21.328 ( 2.126 1.358 -1.214) 2.800 21.638 ( -4.644 2.147 -3.335) 6.107 21.870 ( -1.217 3.146 -9.131) 9.734 21.928 ( -2.028 1.578 -8.896) 9.260 22.755 ( -0.134 0.394 -4.564) 4.583 22.788 ( -0.348 1.354 -4.443) 4.658 ======================= Grid point 108 (40/80) ======================= q-point: ( 0.43 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.624 ( 22.342 7.115 11.103) 25.944 2.826 ( 18.268 20.136 9.317) 28.739 3.063 ( -12.425 -1.442 10.844) 16.555 3.312 ( -20.623 12.934 4.017) 24.673 3.945 ( 2.534 -2.475 5.272) 6.351 4.042 ( -5.354 2.678 2.941) 6.670 4.439 ( 15.563 8.000 14.870) 22.963 4.558 ( 1.290 0.119 0.097) 1.299 4.747 ( 0.154 -10.406 0.823) 10.440 4.826 ( -0.470 -8.203 0.880) 8.264 4.967 ( 4.653 -12.089 14.323) 19.311 5.152 ( -6.405 4.941 7.438) 10.989 5.269 ( -4.968 -1.353 6.544) 8.327 5.286 ( -5.906 3.467 -7.230) 9.959 5.630 ( 4.012 0.226 10.432) 11.179 5.734 ( -5.698 2.650 3.917) 7.405 5.749 ( 0.549 0.661 6.439) 6.496 5.816 ( -5.144 5.135 5.080) 8.868 6.268 ( 1.842 11.050 2.878) 11.567 6.323 ( -3.877 8.682 3.195) 10.030 6.613 ( 8.727 3.684 -3.151) 9.983 6.743 ( -1.636 -0.346 -1.680) 2.370 6.816 ( 1.483 1.626 7.345) 7.668 6.914 ( -5.656 -0.551 5.717) 8.060 7.093 ( 0.726 0.357 1.482) 1.688 7.142 ( -3.276 -4.058 0.489) 5.239 7.305 ( 0.878 2.656 -1.152) 3.025 7.316 ( 0.677 3.528 -1.581) 3.925 7.390 ( 4.263 -0.999 1.764) 4.720 7.489 ( -3.821 -1.785 2.172) 4.744 8.000 ( 3.381 -2.520 3.249) 5.323 8.050 ( -1.174 -4.834 6.595) 8.261 8.139 ( 2.424 0.549 0.086) 2.487 8.196 ( -2.574 0.239 0.685) 2.674 8.402 ( -0.070 0.988 -2.894) 3.059 8.429 ( -2.662 1.132 -0.024) 2.893 8.607 ( 3.873 -1.425 1.086) 4.268 8.695 ( -4.571 -0.093 0.283) 4.581 9.292 ( 2.013 0.165 3.452) 3.999 9.306 ( 0.718 -0.662 2.495) 2.680 9.604 ( 6.654 -15.725 0.046) 17.075 9.738 ( -5.978 -15.340 -1.745) 16.556 10.001 ( 8.173 -12.056 -0.596) 14.578 10.108 ( -1.371 -2.319 -1.666) 3.167 10.740 ( -0.629 0.571 -11.416) 11.447 10.824 ( -7.995 3.556 -14.014) 16.521 10.909 ( 11.057 -1.058 -16.188) 19.632 11.112 ( -8.603 -0.764 -17.977) 19.944 11.746 ( 7.554 15.516 -5.452) 18.098 11.806 ( 0.733 12.158 3.009) 12.547 12.071 ( 0.368 -2.753 -3.094) 4.157 12.138 ( -6.076 -2.717 -2.101) 6.980 12.501 ( 4.206 0.440 6.798) 8.006 12.568 ( -2.599 0.021 9.014) 9.382 12.917 ( 1.838 6.007 -2.421) 6.732 12.972 ( -3.541 7.135 -1.928) 8.195 13.156 ( 2.086 2.345 2.124) 3.790 13.200 ( -2.229 2.988 1.171) 3.908 13.693 ( 5.687 -0.057 4.579) 7.302 13.754 ( -0.875 -1.552 8.938) 9.114 13.871 ( 3.574 -4.574 -1.432) 5.978 13.926 ( -1.533 -3.559 0.280) 3.886 14.036 ( 4.423 -3.144 -3.690) 6.563 14.131 ( -5.487 -5.495 -3.660) 8.585 14.808 ( 0.869 -3.138 11.770) 12.212 14.869 ( -5.263 -2.222 8.226) 10.015 15.092 ( 0.017 2.280 -1.656) 2.818 15.105 ( -1.153 1.250 0.361) 1.739 15.348 ( -0.242 1.659 2.381) 2.913 15.384 ( -3.156 -2.169 6.051) 7.161 15.482 ( 2.674 2.411 6.672) 7.582 15.553 ( -3.989 -0.439 7.356) 8.379 15.775 ( 1.010 8.371 1.226) 8.520 15.833 ( -4.825 8.710 8.035) 12.795 16.555 ( 2.882 5.403 -4.129) 7.386 16.616 ( -3.511 7.230 -1.414) 8.161 17.587 ( 11.244 0.353 0.341) 11.254 17.699 ( 4.854 2.553 15.748) 16.676 17.711 ( 4.543 -4.861 5.979) 8.946 17.939 ( -11.168 -1.812 -4.092) 12.032 18.687 ( 6.106 -1.789 1.253) 6.485 18.827 ( -7.038 -1.068 9.029) 11.498 19.030 ( 4.542 -8.345 -6.220) 11.356 19.148 ( -6.719 -5.777 -7.978) 11.923 19.865 ( 3.273 -23.128 11.228) 25.918 19.936 ( -3.631 -20.980 9.007) 23.118 20.746 ( 2.299 5.380 -3.473) 6.804 20.767 ( 0.046 2.611 -4.784) 5.450 20.876 ( 0.980 14.390 9.240) 17.130 20.911 ( -2.360 11.311 8.088) 14.104 21.426 ( 6.528 1.853 -3.960) 7.857 21.544 ( -5.262 2.552 -3.224) 6.678 21.862 ( 0.498 1.487 -8.887) 9.024 21.887 ( -1.947 1.230 -8.800) 9.097 22.761 ( 0.644 0.166 -5.491) 5.531 22.776 ( -0.810 0.647 -5.422) 5.520 ======================= Grid point 112 (41/80) ======================= q-point: ( 0.00 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( 0.000 21.856 27.422) 35.066 2.650 ( 0.000 31.272 27.171) 41.427 2.955 ( 0.000 -19.119 14.164) 23.794 3.792 ( 0.000 -17.328 18.222) 25.146 4.018 ( 0.000 43.760 40.508) 59.631 4.157 ( 0.000 7.706 6.836) 10.301 4.490 ( 0.000 0.045 3.254) 3.255 4.513 ( 0.000 -2.332 -2.782) 3.630 4.722 ( 0.000 5.933 13.504) 14.750 4.869 ( 0.000 -16.911 0.849) 16.932 5.082 ( 0.000 5.243 -17.378) 18.152 5.263 ( 0.000 -0.448 -8.734) 8.745 5.336 ( 0.000 -5.424 15.136) 16.078 5.394 ( 0.000 7.258 -1.585) 7.429 5.747 ( 0.000 2.146 1.434) 2.581 5.794 ( 0.000 -12.135 3.071) 12.517 5.876 ( 0.000 -5.902 -8.831) 10.622 6.068 ( 0.000 -2.675 -7.305) 7.779 6.180 ( 0.000 13.690 2.244) 13.873 6.375 ( 0.000 -9.921 -4.386) 10.848 6.382 ( 0.000 -4.665 -10.094) 11.120 6.787 ( 0.000 18.056 4.829) 18.690 7.006 ( 0.000 -15.719 6.599) 17.048 7.028 ( 0.000 8.408 0.588) 8.428 7.091 ( 0.000 14.090 7.413) 15.922 7.223 ( 0.000 2.550 -2.812) 3.796 7.279 ( 0.000 -1.322 -5.665) 5.818 7.395 ( 0.000 -3.629 2.107) 4.197 7.480 ( 0.000 -6.882 6.584) 9.525 7.529 ( 0.000 9.942 3.709) 10.611 7.862 ( 0.000 0.655 4.315) 4.364 8.070 ( 0.000 7.537 2.012) 7.801 8.125 ( 0.000 -3.326 6.916) 7.674 8.243 ( 0.000 -4.945 5.918) 7.712 8.282 ( 0.000 -4.163 4.662) 6.250 8.428 ( 0.000 -11.682 -2.904) 12.038 8.576 ( 0.000 -2.755 -5.440) 6.098 8.600 ( 0.000 4.272 1.350) 4.480 9.015 ( 0.000 -26.127 -1.721) 26.183 9.034 ( 0.000 -17.387 3.523) 17.741 9.310 ( 0.000 0.217 4.912) 4.917 9.443 ( 0.000 1.089 8.467) 8.537 9.968 ( 0.000 7.296 -6.218) 9.586 10.054 ( 0.000 9.575 -9.437) 13.444 10.692 ( 0.000 13.387 -10.684) 17.128 11.147 ( 0.000 7.165 -1.927) 7.420 11.212 ( 0.000 0.274 -22.963) 22.965 11.335 ( 0.000 -1.053 -8.931) 8.993 11.568 ( 0.000 2.359 -9.578) 9.864 11.597 ( 0.000 -7.402 5.406) 9.166 11.963 ( 0.000 10.057 3.052) 10.510 12.386 ( 0.000 3.611 1.022) 3.753 12.549 ( 0.000 3.867 0.445) 3.893 12.672 ( 0.000 5.514 6.424) 8.466 12.862 ( 0.000 -10.359 6.346) 12.149 13.031 ( 0.000 -9.999 -9.462) 13.767 13.120 ( 0.000 1.758 17.683) 17.770 13.198 ( 0.000 -3.128 4.166) 5.210 13.589 ( 0.000 5.120 4.283) 6.675 13.719 ( 0.000 5.556 -4.692) 7.272 13.786 ( 0.000 -6.082 4.314) 7.457 13.858 ( 0.000 10.712 0.364) 10.718 13.937 ( 0.000 4.173 -10.628) 11.418 14.143 ( 0.000 -8.328 -3.056) 8.871 14.580 ( 0.000 -11.381 17.085) 20.529 14.863 ( 0.000 -11.360 1.299) 11.434 15.185 ( 0.000 4.121 0.768) 4.192 15.214 ( 0.000 -0.791 7.627) 7.668 15.404 ( 0.000 -1.231 9.181) 9.263 15.449 ( 0.000 -1.034 -4.372) 4.493 15.744 ( 0.000 14.598 9.470) 17.401 15.983 ( 0.000 8.777 -10.226) 13.476 16.231 ( 0.000 -4.832 -12.761) 13.645 16.312 ( 0.000 14.852 1.036) 14.888 16.465 ( 0.000 -17.107 2.081) 17.233 16.687 ( 0.000 19.974 8.248) 21.610 16.880 ( 0.000 -11.466 -2.709) 11.781 17.416 ( 0.000 -12.945 1.194) 13.000 17.652 ( 0.000 5.372 8.796) 10.307 17.698 ( 0.000 11.496 6.221) 13.071 18.790 ( 0.000 -17.884 10.784) 20.884 18.935 ( 0.000 -0.625 0.462) 0.777 19.085 ( 0.000 -2.207 16.261) 16.410 19.105 ( 0.000 -5.582 2.378) 6.067 19.477 ( 0.000 -9.164 4.371) 10.153 19.771 ( 0.000 -11.171 -5.569) 12.482 20.694 ( 0.000 20.422 -12.641) 24.018 20.754 ( 0.000 1.428 -3.384) 3.673 20.851 ( 0.000 -1.915 -0.262) 1.933 21.106 ( 0.000 5.761 6.592) 8.754 21.408 ( 0.000 3.128 3.689) 4.836 21.601 ( 0.000 -9.040 -6.529) 11.151 22.021 ( 0.000 3.137 -9.018) 9.548 22.088 ( 0.000 2.836 -10.885) 11.248 22.813 ( 0.000 1.556 -3.098) 3.467 22.816 ( 0.000 1.178 -2.338) 2.618 ======================= Grid point 113 (42/80) ======================= q-point: ( 0.14 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.158 ( 10.577 19.849 23.960) 32.862 2.733 ( 8.189 29.093 25.146) 39.316 3.002 ( 4.387 -17.075 11.856) 21.246 3.807 ( 0.896 -10.481 15.071) 18.378 4.092 ( 5.095 25.299 31.164) 40.462 4.164 ( 2.658 13.885 16.073) 21.406 4.430 ( -6.814 -3.117 -0.145) 7.494 4.477 ( -3.216 1.695 1.582) 3.964 4.624 ( -7.434 6.451 9.752) 13.856 4.825 ( -4.114 -13.702 -1.758) 14.414 5.010 ( -7.234 2.649 -10.918) 13.363 5.242 ( 0.909 -3.712 1.554) 4.126 5.360 ( 1.265 5.048 4.983) 7.205 5.462 ( 4.083 0.999 -3.090) 5.217 5.651 ( -6.884 -4.318 -4.982) 9.531 5.788 ( -2.435 -10.956 -5.083) 12.320 5.899 ( 1.484 2.066 4.965) 5.579 6.115 ( -4.065 9.720 -1.173) 10.601 6.152 ( 6.860 -3.109 -3.313) 8.228 6.345 ( -2.024 -4.196 -9.850) 10.896 6.490 ( 8.925 -8.644 2.478) 12.669 6.797 ( 0.394 21.138 4.955) 21.715 6.931 ( -3.405 -6.851 5.304) 9.309 7.019 ( -2.368 1.615 -0.936) 3.015 7.079 ( -0.650 12.279 2.795) 12.610 7.236 ( -0.148 0.391 -1.391) 1.452 7.349 ( -2.422 -0.984 5.166) 5.790 7.366 ( 5.749 -1.247 -1.662) 6.113 7.485 ( -0.481 -4.629 9.553) 10.626 7.551 ( 0.441 11.422 -0.332) 11.436 7.844 ( -0.466 -3.414 6.275) 7.158 7.993 ( -4.867 6.888 1.099) 8.506 8.116 ( -1.436 -5.425 6.734) 8.766 8.232 ( -0.816 -4.145 4.875) 6.451 8.335 ( 4.080 -4.829 3.933) 7.446 8.425 ( -0.342 -9.442 -2.373) 9.742 8.554 ( -1.735 2.459 -0.109) 3.012 8.650 ( 3.054 -2.253 -3.404) 5.097 8.967 ( -1.220 -23.352 -0.216) 23.385 9.111 ( 4.715 -19.459 0.407) 20.026 9.303 ( -0.352 2.368 5.197) 5.722 9.455 ( 0.835 -2.056 7.309) 7.638 9.933 ( -1.111 12.960 -4.949) 13.918 10.162 ( 7.957 7.608 -9.767) 14.718 10.631 ( -3.682 8.647 -8.029) 12.361 11.036 ( -12.061 -4.441 -8.875) 15.619 11.171 ( -4.672 0.519 -21.194) 21.709 11.277 ( -5.036 -3.798 -7.617) 9.890 11.558 ( 10.093 10.102 -3.260) 14.647 11.841 ( 11.317 0.943 -0.101) 11.357 11.996 ( 3.944 7.371 1.243) 8.452 12.366 ( -1.975 4.826 0.892) 5.290 12.526 ( -2.051 4.558 0.422) 5.016 12.666 ( -1.145 3.862 6.338) 7.510 12.823 ( -2.398 -9.747 5.987) 11.687 13.035 ( -0.825 -11.049 -4.135) 11.826 13.133 ( 1.448 2.275 12.402) 12.692 13.220 ( 1.741 -3.545 6.885) 7.938 13.593 ( 0.948 4.277 1.844) 4.753 13.736 ( 0.793 2.608 -8.001) 8.452 13.776 ( 0.545 -1.568 6.136) 6.357 13.880 ( 1.765 8.963 0.556) 9.152 13.967 ( 2.409 4.854 -7.094) 8.927 14.118 ( -2.351 -8.462 -2.282) 9.074 14.603 ( 2.129 -9.670 15.637) 18.509 14.857 ( -0.714 -10.764 1.666) 10.916 15.174 ( -0.781 2.757 0.155) 2.869 15.204 ( -1.476 -0.353 7.227) 7.385 15.378 ( -1.663 -0.811 4.953) 5.288 15.458 ( 0.138 -1.856 1.058) 2.141 15.700 ( -4.294 12.507 8.159) 15.538 15.914 ( -8.739 8.743 -6.536) 13.984 16.065 ( -8.311 3.381 -6.123) 10.863 16.275 ( -6.186 -4.818 -8.164) 11.319 16.537 ( 2.020 12.593 6.038) 14.111 16.655 ( 6.041 0.323 0.413) 6.064 17.099 ( 13.901 -3.839 -0.569) 14.433 17.460 ( 4.441 -5.226 6.342) 9.341 17.656 ( 0.591 0.433 6.883) 6.922 17.743 ( 4.373 6.381 6.643) 10.196 18.725 ( -5.746 -12.400 7.263) 15.476 18.907 ( -3.514 -5.356 -1.315) 6.539 19.038 ( -3.036 1.862 10.327) 10.924 19.158 ( 3.866 -5.921 7.716) 10.466 19.427 ( -4.503 -10.894 6.273) 13.353 19.736 ( -3.391 -12.609 -3.745) 13.584 20.753 ( 3.549 10.637 -9.763) 14.868 20.766 ( 1.355 3.559 -4.815) 6.139 20.899 ( 5.693 2.432 0.231) 6.195 21.112 ( 0.524 6.489 7.131) 9.656 21.395 ( -1.017 3.627 2.963) 4.792 21.598 ( -0.223 -8.061 -5.632) 9.836 22.002 ( -1.908 2.917 -8.683) 9.357 22.047 ( -3.691 3.244 -10.897) 11.954 22.796 ( -1.246 1.598 -3.186) 3.776 22.818 ( -0.204 0.893 -3.202) 3.331 ======================= Grid point 114 (43/80) ======================= q-point: ( 0.29 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.440 ( 17.412 15.108 16.465) 28.329 2.945 ( 12.246 18.697 19.268) 29.509 3.101 ( 5.089 -4.166 8.244) 10.546 3.802 ( -1.223 3.852 5.997) 7.231 4.077 ( -13.174 5.280 14.780) 20.491 4.200 ( 0.493 -2.113 20.765) 20.878 4.265 ( -5.572 -3.697 4.916) 8.299 4.500 ( 7.764 12.632 5.072) 15.671 4.544 ( -1.185 1.289 1.830) 2.533 4.729 ( -6.274 -13.020 0.159) 14.453 4.858 ( -4.304 3.868 -0.299) 5.795 5.300 ( 3.905 0.599 6.859) 7.916 5.373 ( 0.249 8.935 -2.557) 9.297 5.494 ( -7.692 -0.310 -9.457) 12.194 5.518 ( 0.271 -6.372 4.584) 7.854 5.728 ( -2.236 -4.195 -8.852) 10.048 5.888 ( -3.540 2.297 5.217) 6.710 6.022 ( -5.809 1.744 2.782) 6.673 6.296 ( 7.193 1.092 1.638) 7.457 6.368 ( 4.459 -2.631 -6.233) 8.103 6.646 ( 5.685 -0.076 8.037) 9.844 6.809 ( 0.342 14.415 3.213) 14.773 6.881 ( -2.249 -1.827 6.211) 6.853 7.001 ( 2.582 0.768 -1.210) 2.953 7.059 ( -1.325 7.468 -1.491) 7.730 7.250 ( 0.100 5.277 3.660) 6.423 7.280 ( -3.310 -0.786 4.378) 5.544 7.366 ( -4.409 3.403 5.455) 7.796 7.498 ( -0.344 0.542 5.085) 5.126 7.532 ( -0.381 7.027 -2.753) 7.557 7.878 ( 3.086 -5.811 7.415) 9.913 7.935 ( -1.200 1.183 2.708) 3.190 8.082 ( -1.308 -7.176 4.662) 8.657 8.212 ( -1.588 -2.019 5.224) 5.821 8.389 ( 0.062 -9.461 -0.107) 9.462 8.420 ( -1.440 -9.688 3.264) 10.324 8.510 ( -0.083 4.030 -1.194) 4.204 8.687 ( 0.602 -4.509 -2.986) 5.442 9.001 ( 4.929 -17.428 -2.195) 18.245 9.204 ( 4.352 -16.997 -0.491) 17.553 9.305 ( 0.572 3.029 4.331) 5.316 9.458 ( -0.931 -6.121 4.804) 7.837 9.943 ( 2.282 15.070 -2.488) 15.443 10.303 ( 4.645 12.917 -8.587) 16.192 10.605 ( -0.057 -7.059 -1.529) 7.223 10.792 ( -7.943 -6.193 -15.840) 18.771 11.039 ( -8.184 0.851 -17.750) 19.564 11.185 ( -5.424 -4.962 -15.831) 17.454 11.798 ( 12.627 11.916 -2.682) 17.567 11.987 ( 5.188 11.909 2.402) 13.210 12.116 ( 5.935 2.450 -2.476) 6.882 12.310 ( -3.804 6.536 0.338) 7.570 12.480 ( -2.063 4.343 0.966) 4.904 12.621 ( -3.025 0.568 6.866) 7.525 12.806 ( 0.704 -10.220 6.348) 12.052 12.991 ( -3.372 -10.850 1.599) 11.474 13.169 ( 1.942 1.879 7.311) 7.794 13.241 ( 0.141 -2.656 9.181) 9.559 13.638 ( 3.392 1.438 -1.196) 3.874 13.739 ( 0.087 -2.870 -6.895) 7.469 13.826 ( 3.705 3.836 5.246) 7.480 13.923 ( 2.656 7.901 -0.421) 8.346 13.998 ( 0.050 6.073 -0.582) 6.101 14.068 ( -2.226 -7.007 -2.663) 7.820 14.655 ( 3.077 -6.621 12.739) 14.683 14.833 ( -1.763 -8.860 2.941) 9.501 15.158 ( -2.048 0.494 1.511) 2.592 15.163 ( -0.914 1.939 0.832) 2.300 15.355 ( -0.757 -1.149 4.514) 4.719 15.444 ( -1.489 -2.640 3.678) 4.766 15.595 ( -5.764 7.350 5.695) 10.940 15.668 ( -12.859 3.283 3.852) 13.820 15.995 ( -0.891 9.229 -11.689) 14.919 16.131 ( -6.553 4.208 -8.458) 11.497 16.617 ( 5.269 10.524 4.238) 12.509 16.759 ( 2.850 2.534 -0.714) 3.879 17.364 ( 13.682 -1.754 -1.342) 13.860 17.558 ( 4.353 6.077 13.631) 15.547 17.681 ( 1.807 -5.308 8.317) 10.030 17.852 ( 5.752 -4.626 5.319) 9.098 18.594 ( -6.564 -6.908 -0.146) 9.531 18.823 ( -4.804 -9.943 1.537) 11.149 18.979 ( -2.381 4.905 6.685) 8.627 19.203 ( -1.884 0.424 1.166) 2.256 19.359 ( 0.284 -18.090 11.860) 21.633 19.650 ( -5.146 -15.413 0.668) 16.263 20.786 ( 1.198 1.751 -4.404) 4.889 20.802 ( 1.183 3.496 -7.387) 8.258 21.038 ( 6.146 6.977 3.481) 9.928 21.122 ( 0.390 7.513 8.128) 11.075 21.396 ( 2.160 4.515 -0.299) 5.014 21.595 ( -0.246 -4.838 -3.339) 5.884 21.950 ( -3.168 3.166 -8.886) 9.951 21.972 ( -3.437 2.363 -10.988) 11.753 22.773 ( -0.877 1.237 -4.266) 4.527 22.806 ( -0.997 0.262 -4.335) 4.456 ======================= Grid point 115 (44/80) ======================= q-point: ( 0.43 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.791 ( 16.983 8.686 9.661) 21.382 3.034 ( -6.022 -2.013 6.854) 9.343 3.297 ( 16.398 24.492 13.321) 32.346 3.657 ( -18.557 19.934 4.512) 27.606 3.887 ( 4.002 -3.321 11.750) 12.849 4.055 ( -10.651 -2.051 5.547) 12.182 4.341 ( 7.636 -18.722 12.412) 23.725 4.491 ( -6.282 -13.543 10.284) 18.128 4.590 ( 0.662 1.527 -7.487) 7.670 4.609 ( -2.728 -6.124 -9.571) 11.685 4.978 ( 13.563 10.374 15.104) 22.797 5.253 ( -12.944 3.983 7.864) 15.661 5.368 ( 1.759 7.124 -2.403) 7.721 5.397 ( 0.067 7.165 -4.450) 8.435 5.584 ( 6.507 -3.122 7.534) 10.433 5.719 ( -1.860 -3.126 2.670) 4.512 5.789 ( -2.730 2.585 -5.251) 6.458 5.880 ( -7.955 0.729 1.636) 8.154 6.418 ( 4.852 1.707 2.559) 5.745 6.455 ( 2.039 1.045 0.488) 2.343 6.727 ( 3.542 6.960 7.983) 11.168 6.788 ( -2.345 7.187 4.283) 8.689 6.866 ( 2.480 3.300 6.474) 7.678 6.973 ( -5.862 4.163 4.334) 8.395 7.113 ( 2.574 2.360 -3.060) 4.643 7.159 ( -4.798 5.023 0.864) 7.000 7.287 ( 6.275 -1.352 3.321) 7.227 7.397 ( 1.624 4.817 0.866) 5.157 7.436 ( -2.235 1.953 5.640) 6.374 7.505 ( -3.671 7.458 -1.048) 8.378 7.923 ( 1.093 -3.949 9.460) 10.309 7.932 ( 0.453 -6.238 5.267) 8.177 8.084 ( 1.688 -7.830 3.016) 8.559 8.150 ( -4.500 -4.407 4.483) 7.731 8.359 ( -1.584 -10.441 1.709) 10.698 8.367 ( -1.510 -8.071 0.373) 8.220 8.583 ( 5.005 0.501 -0.981) 5.125 8.665 ( -2.902 -2.663 -1.344) 4.161 9.138 ( 7.845 -12.416 -3.151) 15.021 9.243 ( -1.616 -11.233 -1.795) 11.490 9.333 ( 2.715 -1.609 3.194) 4.490 9.406 ( -4.165 -5.949 3.302) 7.977 10.041 ( 8.158 10.279 -0.776) 13.146 10.238 ( -10.169 9.716 -0.657) 14.080 10.644 ( 6.520 -8.084 -9.602) 14.145 10.778 ( -2.685 -7.458 -7.633) 11.004 10.919 ( 1.229 2.024 -24.405) 24.520 11.052 ( -8.046 -4.309 -19.342) 21.388 12.020 ( 9.682 11.214 0.533) 14.826 12.089 ( 5.512 13.041 -2.365) 14.354 12.147 ( -2.866 9.660 1.107) 10.137 12.213 ( -6.314 8.337 -4.492) 11.382 12.485 ( 2.815 -0.706 4.564) 5.409 12.556 ( -3.696 -1.381 6.667) 7.747 12.844 ( 3.029 -11.280 5.486) 12.904 12.916 ( -4.048 -11.306 3.870) 12.617 13.203 ( 1.586 1.076 7.337) 7.583 13.230 ( -1.074 -0.576 8.511) 8.597 13.704 ( 2.817 -1.655 -2.879) 4.355 13.737 ( -0.613 -3.444 -4.678) 5.841 13.901 ( 3.588 4.820 4.543) 7.533 13.958 ( -1.673 8.441 1.268) 8.699 13.988 ( 1.924 0.449 1.115) 2.269 14.033 ( -1.940 0.155 -2.536) 3.197 14.719 ( 3.433 -4.965 9.191) 10.995 14.785 ( -3.125 -6.057 5.571) 8.803 15.132 ( 0.029 1.805 -1.029) 2.077 15.149 ( -1.039 2.221 -3.144) 3.988 15.349 ( 0.521 -0.029 2.885) 2.931 15.394 ( -3.685 1.057 0.754) 3.907 15.495 ( -2.716 -1.563 10.602) 11.055 15.510 ( -3.313 -1.509 8.244) 9.012 15.998 ( 1.053 10.978 -11.716) 16.090 16.038 ( -3.174 9.478 -10.425) 14.443 16.712 ( 4.056 9.199 2.798) 10.436 16.768 ( -1.522 6.848 0.996) 7.086 17.603 ( 7.154 -4.233 3.648) 9.077 17.621 ( 2.409 2.794 7.989) 8.799 17.729 ( 5.491 -0.568 12.860) 13.995 17.881 ( -4.756 -4.308 4.726) 7.970 18.550 ( 3.639 -9.227 -1.793) 10.080 18.692 ( -8.538 -12.330 2.371) 15.184 18.990 ( 3.697 5.005 2.593) 6.740 19.098 ( -6.605 2.734 1.782) 7.368 19.433 ( 5.401 -18.321 9.076) 21.147 19.543 ( -5.659 -17.322 5.172) 18.943 20.806 ( 0.783 1.638 -5.262) 5.567 20.813 ( 0.052 1.710 -6.167) 6.400 21.103 ( 1.386 7.771 7.771) 11.077 21.121 ( -0.551 7.685 8.645) 11.580 21.485 ( 5.768 3.553 -2.038) 7.074 21.573 ( -2.615 0.055 -1.332) 2.935 21.903 ( -1.010 2.213 -10.705) 10.978 21.917 ( -2.077 1.431 -10.619) 10.914 22.767 ( 0.312 0.411 -5.215) 5.241 22.783 ( -1.186 -0.034 -5.220) 5.353 ======================= Grid point 119 (45/80) ======================= q-point: ( 0.00 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.504 ( 0.000 -22.679 20.668) 30.684 2.504 ( 0.000 22.679 20.668) 30.684 3.277 ( 0.000 -29.199 26.457) 39.403 3.277 ( 0.000 29.199 26.457) 39.403 4.394 ( 0.000 -9.903 3.857) 10.627 4.394 ( 0.000 9.903 3.857) 10.627 4.569 ( 0.000 -8.523 1.197) 8.606 4.569 ( 0.000 8.523 1.197) 8.606 4.763 ( 0.000 -13.230 19.673) 23.708 4.763 ( 0.000 13.230 19.673) 23.708 5.172 ( 0.000 -9.028 -10.124) 13.565 5.172 ( 0.000 9.028 -10.124) 13.565 5.360 ( 0.000 -13.574 3.066) 13.916 5.360 ( 0.000 13.574 3.066) 13.916 5.584 ( 0.000 -10.457 3.481) 11.021 5.584 ( 0.000 10.457 3.481) 11.021 5.992 ( 0.000 -7.782 -10.205) 12.834 5.992 ( 0.000 7.782 -10.205) 12.834 6.264 ( 0.000 -0.653 -8.106) 8.132 6.264 ( 0.000 0.653 -8.106) 8.132 6.586 ( 0.000 -20.477 4.931) 21.062 6.586 ( 0.000 20.477 4.931) 21.062 7.149 ( 0.000 -4.258 0.842) 4.340 7.149 ( 0.000 4.258 0.842) 4.340 7.209 ( 0.000 -3.958 8.314) 9.208 7.209 ( 0.000 3.958 8.314) 9.208 7.318 ( 0.000 -0.341 3.521) 3.537 7.318 ( 0.000 0.341 3.521) 3.537 7.500 ( 0.000 -14.336 -4.000) 14.884 7.500 ( 0.000 14.336 -4.000) 14.884 8.019 ( 0.000 -8.725 0.646) 8.749 8.019 ( 0.000 8.725 0.646) 8.749 8.148 ( 0.000 -7.805 6.558) 10.195 8.148 ( 0.000 7.805 6.558) 10.195 8.257 ( 0.000 -1.323 5.675) 5.827 8.257 ( 0.000 1.323 5.675) 5.827 8.587 ( 0.000 -6.088 -3.959) 7.262 8.587 ( 0.000 6.088 -3.959) 7.262 8.773 ( 0.000 -8.480 0.479) 8.494 8.773 ( 0.000 8.480 0.479) 8.494 9.396 ( 0.000 -4.647 7.644) 8.946 9.396 ( 0.000 4.647 7.644) 8.946 10.099 ( 0.000 -3.768 -7.386) 8.292 10.099 ( 0.000 3.768 -7.386) 8.292 11.004 ( 0.000 -15.281 -9.949) 18.234 11.004 ( 0.000 15.281 -9.949) 18.234 11.278 ( 0.000 -3.423 -11.178) 11.690 11.278 ( 0.000 3.423 -11.178) 11.690 11.562 ( 0.000 -1.991 -4.591) 5.004 11.562 ( 0.000 1.991 -4.591) 5.004 12.240 ( 0.000 -15.186 5.609) 16.189 12.240 ( 0.000 15.186 5.609) 16.189 12.733 ( 0.000 -4.554 0.519) 4.584 12.733 ( 0.000 4.554 0.519) 4.584 12.776 ( 0.000 -7.827 0.680) 7.857 12.776 ( 0.000 7.827 0.680) 7.857 13.153 ( 0.000 -1.499 11.280) 11.379 13.153 ( 0.000 1.499 11.280) 11.379 13.663 ( 0.000 -4.532 4.191) 6.173 13.663 ( 0.000 4.532 4.191) 6.173 13.886 ( 0.000 -7.948 6.195) 10.077 13.886 ( 0.000 7.948 6.195) 10.077 14.018 ( 0.000 -4.894 -8.578) 9.875 14.018 ( 0.000 4.894 -8.578) 9.875 14.611 ( 0.000 -11.757 1.344) 11.833 14.611 ( 0.000 11.757 1.344) 11.833 15.221 ( 0.000 -0.602 8.290) 8.312 15.221 ( 0.000 0.602 8.290) 8.312 15.407 ( 0.000 -1.969 -1.923) 2.753 15.407 ( 0.000 1.969 -1.923) 2.753 16.090 ( 0.000 -17.234 4.742) 17.875 16.090 ( 0.000 17.234 4.742) 17.875 16.130 ( 0.000 -7.568 -11.414) 13.695 16.130 ( 0.000 7.568 -11.414) 13.695 16.613 ( 0.000 -14.440 -1.624) 14.531 16.613 ( 0.000 14.440 -1.624) 14.531 17.104 ( 0.000 -19.281 2.144) 19.400 17.104 ( 0.000 19.281 2.144) 19.400 17.774 ( 0.000 -4.902 11.656) 12.645 17.774 ( 0.000 4.902 11.656) 12.645 18.723 ( 0.000 -12.586 7.089) 14.445 18.723 ( 0.000 12.586 7.089) 14.445 19.046 ( 0.000 -1.659 13.739) 13.839 19.046 ( 0.000 1.659 13.739) 13.839 19.550 ( 0.000 -9.899 -6.045) 11.599 19.550 ( 0.000 9.899 -6.045) 11.599 20.789 ( 0.000 -1.929 -3.147) 3.691 20.789 ( 0.000 1.929 -3.147) 3.691 21.051 ( 0.000 -11.325 -3.474) 11.846 21.051 ( 0.000 11.325 -3.474) 11.846 21.470 ( 0.000 -3.663 -0.424) 3.687 21.470 ( 0.000 3.663 -0.424) 3.687 22.083 ( 0.000 -2.414 -9.755) 10.049 22.083 ( 0.000 2.414 -9.755) 10.049 22.829 ( 0.000 -0.004 -2.640) 2.640 22.829 ( 0.000 0.004 -2.640) 2.640 ======================= Grid point 121 (46/80) ======================= q-point: ( 0.14 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.573 ( 6.910 -20.950 18.118) 28.546 2.573 ( 6.910 20.950 18.118) 28.546 3.345 ( 6.699 -27.998 25.209) 38.265 3.345 ( 6.699 27.998 25.209) 38.265 4.313 ( -6.966 -7.823 3.126) 10.932 4.313 ( -6.966 7.823 3.126) 10.932 4.542 ( -3.940 -8.776 4.274) 10.527 4.542 ( -3.940 8.776 4.274) 10.527 4.743 ( -3.096 -3.824 10.408) 11.512 4.743 ( -3.096 3.824 10.408) 11.512 5.112 ( -2.641 -14.966 0.218) 15.199 5.112 ( -2.641 14.966 0.218) 15.199 5.415 ( 3.621 -6.919 -1.150) 7.893 5.415 ( 3.621 6.919 -1.150) 7.893 5.585 ( -0.102 -9.633 -3.251) 10.168 5.585 ( -0.102 9.633 -3.251) 10.168 6.014 ( 0.482 -7.966 -2.320) 8.310 6.014 ( 0.482 7.966 -2.320) 8.310 6.247 ( 0.192 -3.983 -6.806) 7.888 6.247 ( 0.192 3.983 -6.806) 7.888 6.610 ( 2.926 -16.439 5.406) 17.551 6.610 ( 2.926 16.439 5.406) 17.551 7.106 ( -3.829 -4.455 -0.080) 5.875 7.106 ( -3.829 4.455 -0.080) 5.875 7.255 ( 0.317 -6.009 2.522) 6.524 7.255 ( 0.317 6.009 2.522) 6.524 7.316 ( 3.180 -7.354 8.217) 11.477 7.316 ( 3.180 7.354 8.217) 11.477 7.543 ( 3.295 -13.627 -1.010) 14.056 7.543 ( 3.295 13.627 -1.010) 14.056 7.953 ( -5.755 -10.814 -1.231) 12.311 7.953 ( -5.755 10.814 -1.231) 12.311 8.141 ( -0.857 -8.323 7.990) 11.569 8.141 ( -0.857 8.323 7.990) 11.569 8.248 ( -1.223 -3.481 6.435) 7.417 8.248 ( -1.223 3.481 6.435) 7.417 8.587 ( 0.226 -1.906 -4.156) 4.578 8.587 ( 0.226 1.906 -4.156) 4.578 8.819 ( 4.503 -8.357 -0.668) 9.517 8.819 ( 4.503 8.357 -0.668) 9.517 9.392 ( -0.432 -4.501 6.739) 8.116 9.392 ( -0.432 4.501 6.739) 8.116 10.156 ( 5.370 -7.427 -6.866) 11.452 10.156 ( 5.370 7.427 -6.866) 11.452 10.864 ( -12.198 -12.081 -7.187) 18.611 10.864 ( -12.198 12.081 -7.187) 18.611 11.187 ( -5.352 -2.630 -15.193) 16.321 11.187 ( -5.352 2.630 -15.193) 16.321 11.753 ( 13.749 -8.071 -4.023) 16.443 11.753 ( 13.749 8.071 -4.023) 16.443 12.255 ( 1.412 -14.446 5.020) 15.358 12.255 ( 1.412 14.446 5.020) 15.358 12.690 ( -3.476 -4.880 1.466) 6.168 12.690 ( -3.476 4.880 1.466) 6.168 12.773 ( -1.215 -9.709 0.629) 9.805 12.773 ( -1.215 9.709 0.629) 9.805 13.170 ( 1.521 -1.746 12.214) 12.432 13.170 ( 1.521 1.746 12.214) 12.432 13.657 ( -0.211 -4.083 1.679) 4.420 13.657 ( -0.211 4.083 1.679) 4.420 13.895 ( 0.708 -7.331 5.721) 9.326 13.895 ( 0.708 7.331 5.721) 9.326 14.040 ( 2.179 -3.617 -6.679) 7.901 14.040 ( 2.179 3.617 -6.679) 7.901 14.624 ( 1.193 -10.376 1.775) 10.594 14.624 ( 1.193 10.376 1.775) 10.594 15.200 ( -1.828 -1.062 6.574) 6.906 15.200 ( -1.828 1.062 6.574) 6.906 15.402 ( -0.595 -2.815 -0.281) 2.891 15.402 ( -0.595 2.815 -0.281) 2.891 15.946 ( -12.216 -8.597 3.948) 15.451 15.946 ( -12.216 8.597 3.948) 15.451 16.130 ( -0.017 -6.504 -12.424) 14.023 16.130 ( -0.017 6.504 -12.424) 14.023 16.686 ( 5.424 -4.646 -0.531) 7.161 16.686 ( 5.424 4.646 -0.531) 7.161 17.203 ( 9.419 -14.684 2.388) 17.608 17.203 ( 9.419 14.684 2.388) 17.608 17.769 ( -0.533 -6.212 12.564) 14.026 17.769 ( -0.533 6.212 12.564) 14.026 18.693 ( -3.029 -11.597 6.212) 13.501 18.693 ( -3.029 11.597 6.212) 13.501 19.053 ( 0.728 -1.364 12.096) 12.194 19.053 ( 0.728 1.364 12.096) 12.194 19.496 ( -5.070 -10.515 -4.532) 12.523 19.496 ( -5.070 10.515 -4.532) 12.523 20.799 ( 0.845 -1.682 -3.840) 4.276 20.799 ( 0.845 1.682 -3.840) 4.276 21.092 ( 3.703 -8.540 -0.909) 9.352 21.092 ( 3.703 8.540 -0.909) 9.352 21.469 ( 0.090 -4.295 -0.965) 4.403 21.469 ( 0.090 4.295 -0.965) 4.403 22.054 ( -2.692 -1.787 -9.674) 10.199 22.054 ( -2.692 1.787 -9.674) 10.199 22.820 ( -0.884 -0.661 -3.126) 3.316 22.820 ( -0.884 0.661 -3.126) 3.316 ======================= Grid point 123 (47/80) ======================= q-point: ( 0.29 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.756 ( 11.067 -15.786 12.187) 22.808 2.756 ( 11.067 15.786 12.187) 22.808 3.520 ( 10.625 -24.227 22.048) 34.438 3.520 ( 10.625 24.227 22.048) 34.438 4.159 ( -8.404 -3.201 2.751) 9.404 4.159 ( -8.404 3.201 2.751) 9.404 4.382 ( -12.381 -13.707 10.361) 21.179 4.382 ( -12.381 13.707 10.361) 21.179 4.650 ( -4.309 -2.260 -7.750) 9.151 4.650 ( -4.309 2.260 -7.750) 9.151 5.132 ( 3.369 -18.585 10.248) 21.489 5.132 ( 3.369 18.585 10.248) 21.489 5.468 ( 1.899 -4.510 -5.225) 7.159 5.468 ( 1.899 4.510 -5.225) 7.159 5.586 ( 0.521 -10.272 -3.038) 10.725 5.586 ( 0.521 10.272 -3.038) 10.725 5.949 ( -5.926 -4.731 1.221) 7.681 5.949 ( -5.926 4.731 1.221) 7.681 6.332 ( 6.715 -0.755 -1.365) 6.894 6.332 ( 6.715 0.755 -1.365) 6.894 6.704 ( 6.578 -8.698 7.005) 12.961 6.704 ( 6.578 8.698 7.005) 12.961 7.027 ( -3.869 -5.756 2.237) 7.287 7.027 ( -3.869 5.756 2.237) 7.287 7.206 ( -3.110 -3.837 -2.013) 5.334 7.206 ( -3.110 3.837 -2.013) 5.334 7.404 ( 2.435 -6.980 9.459) 12.005 7.404 ( 2.435 6.980 9.459) 12.005 7.603 ( 3.330 -14.734 3.173) 15.436 7.603 ( 3.330 14.734 3.173) 15.436 7.844 ( -4.356 -12.080 -4.206) 13.513 7.844 ( -4.356 12.080 -4.206) 13.513 8.084 ( -5.900 -13.593 8.674) 17.171 8.084 ( -5.900 13.593 8.674) 17.171 8.224 ( -0.264 -4.550 7.854) 9.081 8.224 ( -0.264 4.550 7.854) 9.081 8.601 ( 1.033 -4.141 -3.372) 5.439 8.601 ( 1.033 4.141 -3.372) 5.439 8.938 ( 7.376 -7.303 -2.600) 10.701 8.938 ( 7.376 7.303 -2.600) 10.701 9.378 ( -1.029 -3.735 4.669) 6.067 9.378 ( -1.029 3.735 4.669) 6.067 10.272 ( 4.754 -15.239 -4.281) 16.527 10.272 ( 4.754 15.239 -4.281) 16.527 10.636 ( -8.565 -9.814 -7.149) 14.859 10.636 ( -8.565 9.814 -7.149) 14.859 11.080 ( -5.855 -4.106 -19.031) 20.330 11.080 ( -5.855 4.106 -19.031) 20.330 12.010 ( 11.965 -7.962 -3.096) 14.702 12.010 ( 11.965 7.962 -3.096) 14.702 12.290 ( 1.876 -11.688 3.098) 12.237 12.290 ( 1.876 11.688 3.098) 12.237 12.615 ( -3.916 -2.745 3.023) 5.658 12.615 ( -3.916 2.745 3.023) 5.658 12.724 ( -3.488 -9.416 1.555) 10.161 12.724 ( -3.488 9.416 1.555) 10.161 13.200 ( 1.314 -1.529 14.056) 14.200 13.200 ( 1.314 1.529 14.056) 14.200 13.665 ( 0.927 -2.619 -2.043) 3.449 13.665 ( 0.927 2.619 -2.043) 3.449 13.910 ( 0.922 -4.927 3.499) 6.113 13.910 ( 0.922 4.927 3.499) 6.113 14.091 ( 2.587 -3.158 -2.775) 4.936 14.091 ( 2.587 3.158 -2.775) 4.936 14.651 ( 1.449 -7.015 3.103) 7.807 14.651 ( 1.449 7.015 3.103) 7.807 15.168 ( -1.072 -0.737 2.559) 2.871 15.168 ( -1.072 0.737 2.559) 2.871 15.384 ( -1.062 -2.975 1.910) 3.692 15.384 ( -1.062 2.975 1.910) 3.692 15.691 ( -12.757 -2.080 4.783) 13.782 15.691 ( -12.757 2.080 4.783) 13.782 16.131 ( 0.114 -3.717 -15.392) 15.835 16.131 ( 0.114 3.717 -15.392) 15.835 16.782 ( 4.141 -2.389 1.291) 4.952 16.782 ( 4.141 2.389 1.291) 4.952 17.425 ( 11.876 -10.444 4.138) 16.348 17.425 ( 11.876 10.444 4.138) 16.348 17.757 ( -0.396 -8.298 12.871) 15.319 17.757 ( -0.396 8.298 12.871) 15.319 18.604 ( -5.982 -9.277 4.196) 11.809 18.604 ( -5.982 9.277 4.196) 11.809 19.080 ( 2.300 -6.376 8.451) 10.833 19.080 ( 2.300 6.376 8.451) 10.833 19.376 ( -6.661 -11.319 -0.627) 13.148 19.376 ( -6.661 11.319 -0.627) 13.148 20.815 ( 0.766 -0.977 -4.878) 5.034 20.815 ( 0.766 0.977 -4.878) 5.034 21.163 ( 2.739 -3.299 4.319) 6.086 21.163 ( 2.739 3.299 4.319) 6.086 21.491 ( 2.460 -4.972 -2.004) 5.898 21.491 ( 2.460 4.972 -2.004) 5.898 21.990 ( -3.546 -0.741 -10.029) 10.663 21.990 ( -3.546 0.741 -10.029) 10.663 22.798 ( -1.307 -1.003 -4.183) 4.496 22.798 ( -1.307 1.003 -4.183) 4.496 ======================= Grid point 125 (48/80) ======================= q-point: ( 0.43 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.950 ( 6.764 -6.497 6.819) 11.596 2.950 ( 6.764 6.497 6.819) 11.596 3.737 ( 10.724 -16.220 19.268) 27.375 3.737 ( 10.724 16.220 19.268) 27.375 3.991 ( -8.823 -8.516 2.596) 12.534 3.991 ( -8.823 8.516 2.596) 12.534 4.140 ( -8.906 -14.556 11.831) 20.764 4.140 ( -8.906 14.556 11.831) 20.764 4.603 ( -0.919 -0.769 -12.630) 12.687 4.603 ( -0.919 0.769 -12.630) 12.687 5.181 ( 1.088 -8.392 5.393) 10.035 5.181 ( 1.088 8.392 5.393) 10.035 5.517 ( 3.437 -4.008 0.119) 5.282 5.517 ( 3.437 4.008 0.119) 5.282 5.588 ( -1.276 -9.498 4.911) 10.769 5.588 ( -1.276 9.498 4.911) 10.769 5.848 ( -3.214 -3.201 -4.559) 6.431 5.848 ( -3.214 3.201 -4.559) 6.431 6.427 ( 2.301 -1.209 2.172) 3.387 6.427 ( 2.301 1.209 2.172) 3.387 6.850 ( 7.087 -4.617 6.975) 10.964 6.850 ( 7.087 4.617 6.975) 10.964 6.959 ( -3.345 -6.903 7.679) 10.854 6.959 ( -3.345 6.903 7.679) 10.854 7.160 ( -1.425 -2.182 -3.215) 4.138 7.160 ( -1.425 2.182 -3.215) 4.138 7.387 ( -2.234 -4.474 5.318) 7.300 7.387 ( -2.234 4.474 5.318) 7.300 7.696 ( 5.341 -10.472 6.234) 13.306 7.696 ( 5.341 10.472 6.234) 13.306 7.791 ( -1.502 -9.746 -5.384) 11.235 7.791 ( -1.502 9.746 -5.384) 11.235 7.941 ( -6.666 -8.107 8.181) 13.307 7.941 ( -6.666 8.107 8.181) 13.307 8.231 ( 0.388 -1.913 9.217) 9.421 8.231 ( 0.388 1.913 9.217) 9.421 8.618 ( 0.528 -2.147 -2.543) 3.370 8.618 ( 0.528 2.147 -2.543) 3.370 9.074 ( 4.997 -3.666 -3.291) 7.017 9.074 ( 4.997 3.666 -3.291) 7.017 9.352 ( -1.362 -1.710 2.767) 3.527 9.352 ( -1.362 1.710 2.767) 3.527 10.277 ( -2.373 -9.646 -0.878) 9.972 10.277 ( -2.373 9.646 -0.878) 9.972 10.600 ( 2.550 -7.649 -6.895) 10.609 10.600 ( 2.550 7.649 -6.895) 10.609 10.971 ( -4.238 -3.324 -23.401) 24.013 10.971 ( -4.238 3.324 -23.401) 24.013 12.207 ( 7.819 -5.132 -1.787) 9.522 12.207 ( 7.819 5.132 -1.787) 9.522 12.304 ( -1.354 -4.664 -0.723) 4.910 12.304 ( -1.354 4.664 -0.723) 4.910 12.550 ( -2.197 -0.756 4.833) 5.363 12.550 ( -2.197 0.756 4.833) 5.363 12.660 ( -2.236 -5.103 3.266) 6.458 12.660 ( -2.236 5.103 3.266) 6.458 13.217 ( 0.388 -0.562 15.056) 15.072 13.217 ( 0.388 0.562 15.056) 15.072 13.682 ( 0.577 -0.774 -3.473) 3.605 13.682 ( 0.577 0.774 -3.473) 3.605 13.929 ( 0.769 -1.584 1.505) 2.316 13.929 ( 0.769 1.584 1.505) 2.316 14.128 ( 1.024 -1.563 -0.282) 1.890 14.128 ( 1.024 1.563 -0.282) 1.890 14.673 ( 0.641 -2.535 4.783) 5.451 14.673 ( 0.641 2.535 4.783) 5.451 15.162 ( 0.253 -0.818 -3.351) 3.459 15.162 ( 0.253 0.818 -3.351) 3.459 15.377 ( 0.799 -2.219 1.889) 3.022 15.377 ( 0.799 2.219 1.889) 3.022 15.485 ( -7.280 -1.082 8.878) 11.532 15.485 ( -7.280 1.082 8.878) 11.532 16.133 ( 0.083 -1.137 -17.298) 17.335 16.133 ( 0.083 1.137 -17.298) 17.335 16.840 ( 1.575 -1.270 2.340) 3.094 16.840 ( 1.575 1.270 2.340) 3.094 17.603 ( 4.747 -4.498 13.668) 15.152 17.603 ( 4.747 4.498 13.668) 15.152 17.767 ( 1.422 -6.157 4.616) 7.826 17.767 ( 1.422 6.157 4.616) 7.826 18.489 ( -4.333 -4.869 2.644) 7.034 18.489 ( -4.333 4.869 2.644) 7.034 19.147 ( 4.441 -10.390 4.916) 12.322 19.147 ( 4.441 10.390 4.916) 12.322 19.251 ( -5.993 -11.514 3.660) 13.486 19.251 ( -5.993 11.514 3.660) 13.486 20.826 ( 0.297 -0.309 -5.406) 5.423 20.826 ( 0.297 0.309 -5.406) 5.423 21.190 ( 0.410 -0.684 6.914) 6.960 21.190 ( 0.410 0.684 6.914) 6.960 21.549 ( 2.376 -2.362 -0.709) 3.424 21.549 ( 2.376 2.362 -0.709) 3.424 21.931 ( -1.972 -0.293 -11.412) 11.585 21.931 ( -1.972 0.293 -11.412) 11.585 22.777 ( -0.656 -0.498 -5.035) 5.102 22.777 ( -0.656 0.498 -5.035) 5.102 ======================= Grid point 147 (49/80) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.205 ( 0.000 0.000 36.867) 36.867 2.274 ( 0.000 0.000 36.559) 36.559 3.411 ( 0.000 0.000 0.805) 0.805 3.798 ( 0.000 0.000 1.946) 1.946 4.020 ( 0.000 0.000 -12.906) 12.906 4.301 ( 0.000 0.000 59.313) 59.313 4.447 ( 0.000 0.000 -4.396) 4.396 4.594 ( 0.000 0.000 -19.119) 19.119 4.734 ( 0.000 0.000 -16.328) 16.328 4.896 ( 0.000 0.000 8.343) 8.343 4.999 ( 0.000 0.000 -3.184) 3.184 5.106 ( 0.000 0.000 1.403) 1.403 5.531 ( 0.000 0.000 0.110) 0.110 5.766 ( 0.000 0.000 2.646) 2.646 5.800 ( 0.000 0.000 -4.037) 4.037 5.809 ( 0.000 0.000 9.470) 9.470 6.050 ( 0.000 0.000 -8.108) 8.108 6.152 ( 0.000 0.000 26.042) 26.042 6.223 ( 0.000 0.000 21.141) 21.141 6.421 ( 0.000 0.000 -1.508) 1.508 6.472 ( 0.000 0.000 -6.384) 6.384 6.511 ( 0.000 0.000 2.470) 2.470 6.747 ( 0.000 0.000 11.598) 11.598 6.957 ( 0.000 0.000 5.408) 5.408 7.124 ( 0.000 0.000 -13.396) 13.396 7.167 ( 0.000 0.000 2.870) 2.870 7.304 ( 0.000 0.000 6.272) 6.272 7.370 ( 0.000 0.000 -8.932) 8.932 7.612 ( 0.000 0.000 8.183) 8.183 7.735 ( 0.000 0.000 10.983) 10.983 7.830 ( 0.000 0.000 3.017) 3.017 7.999 ( 0.000 0.000 -2.730) 2.730 8.061 ( 0.000 0.000 -18.476) 18.476 8.355 ( 0.000 0.000 -4.929) 4.929 8.506 ( 0.000 0.000 17.625) 17.625 8.530 ( 0.000 0.000 -7.481) 7.481 8.655 ( 0.000 0.000 1.846) 1.846 8.993 ( 0.000 0.000 5.746) 5.746 9.173 ( 0.000 0.000 2.717) 2.717 9.270 ( 0.000 0.000 6.432) 6.432 9.390 ( 0.000 0.000 3.373) 3.373 9.748 ( 0.000 0.000 1.556) 1.556 9.873 ( 0.000 0.000 -18.053) 18.053 9.887 ( 0.000 0.000 0.050) 0.050 10.481 ( 0.000 0.000 -12.374) 12.374 10.581 ( 0.000 0.000 -10.966) 10.966 10.616 ( 0.000 0.000 -33.174) 33.174 10.758 ( 0.000 0.000 3.336) 3.336 11.437 ( 0.000 0.000 -0.640) 0.640 11.873 ( 0.000 0.000 9.748) 9.748 11.989 ( 0.000 0.000 3.938) 3.938 12.312 ( 0.000 0.000 -6.654) 6.654 12.566 ( 0.000 0.000 -4.682) 4.682 12.659 ( 0.000 0.000 7.737) 7.737 12.682 ( 0.000 0.000 -19.606) 19.606 12.791 ( 0.000 0.000 5.762) 5.762 13.253 ( 0.000 0.000 0.067) 0.067 13.393 ( 0.000 0.000 10.111) 10.111 13.452 ( 0.000 0.000 -10.409) 10.409 13.486 ( 0.000 0.000 14.476) 14.476 13.740 ( 0.000 0.000 -7.092) 7.092 14.092 ( 0.000 0.000 16.223) 16.223 14.123 ( 0.000 0.000 18.881) 18.881 14.505 ( 0.000 0.000 -3.920) 3.920 14.960 ( 0.000 0.000 -5.337) 5.337 15.084 ( 0.000 0.000 -3.354) 3.354 15.304 ( 0.000 0.000 -13.686) 13.686 15.320 ( 0.000 0.000 12.147) 12.147 15.439 ( 0.000 0.000 12.806) 12.806 15.567 ( 0.000 0.000 5.655) 5.655 15.687 ( 0.000 0.000 1.850) 1.850 15.693 ( 0.000 0.000 1.867) 1.867 16.072 ( 0.000 0.000 -12.539) 12.539 16.257 ( 0.000 0.000 12.215) 12.215 16.321 ( 0.000 0.000 9.969) 9.969 16.919 ( 0.000 0.000 -3.193) 3.193 16.968 ( 0.000 0.000 7.848) 7.848 17.479 ( 0.000 0.000 1.899) 1.899 17.630 ( 0.000 0.000 6.593) 6.593 18.368 ( 0.000 0.000 -8.660) 8.660 18.535 ( 0.000 0.000 -3.729) 3.729 18.631 ( 0.000 0.000 -14.951) 14.951 19.109 ( 0.000 0.000 4.368) 4.368 19.389 ( 0.000 0.000 11.970) 11.970 20.028 ( 0.000 0.000 -7.562) 7.562 20.314 ( 0.000 0.000 7.501) 7.501 20.390 ( 0.000 0.000 5.932) 5.932 20.643 ( 0.000 0.000 -4.059) 4.059 20.852 ( 0.000 0.000 12.791) 12.791 20.931 ( 0.000 0.000 1.152) 1.152 21.514 ( 0.000 0.000 -4.549) 4.549 21.592 ( 0.000 0.000 1.338) 1.338 21.752 ( 0.000 0.000 -4.564) 4.564 21.771 ( 0.000 0.000 -10.134) 10.134 22.675 ( 0.000 0.000 -3.488) 3.488 22.738 ( 0.000 0.000 -1.845) 1.845 ======================= Grid point 148 (50/80) ======================= q-point: ( 0.14 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.280 ( 7.383 0.000 32.595) 33.420 2.368 ( 9.127 0.000 33.228) 34.459 3.391 ( -2.235 0.000 -0.999) 2.448 3.739 ( -5.704 0.000 3.668) 6.782 3.962 ( -5.130 0.000 -13.299) 14.254 4.425 ( -3.982 0.000 -7.314) 8.328 4.427 ( 11.544 0.000 53.342) 54.577 4.530 ( -5.837 0.000 -10.869) 12.337 4.740 ( 0.724 0.000 -13.701) 13.720 4.777 ( -5.294 0.000 4.034) 6.656 5.077 ( 3.646 0.000 -2.817) 4.608 5.106 ( -0.204 0.000 1.617) 1.629 5.521 ( -0.113 0.000 2.894) 2.896 5.719 ( -5.232 0.000 4.658) 7.005 5.753 ( -4.095 0.000 5.533) 6.883 5.904 ( 8.677 0.000 -2.123) 8.933 5.992 ( -4.452 0.000 -10.510) 11.414 6.113 ( -8.713 0.000 12.086) 14.900 6.201 ( 3.876 0.000 19.375) 19.759 6.378 ( -1.983 0.000 7.459) 7.718 6.561 ( 6.491 0.000 -4.847) 8.101 6.592 ( 2.295 0.000 12.925) 13.128 6.725 ( 2.844 0.000 8.866) 9.311 7.027 ( 6.621 0.000 3.263) 7.381 7.099 ( -1.122 0.000 -1.507) 1.879 7.225 ( 0.179 0.000 -2.495) 2.501 7.298 ( -0.578 0.000 7.232) 7.255 7.443 ( 7.719 0.000 -11.858) 14.149 7.601 ( -2.652 0.000 11.182) 11.492 7.675 ( -11.799 0.000 4.244) 12.539 7.717 ( 0.235 0.000 8.744) 8.747 7.979 ( -5.581 0.000 -15.225) 16.216 8.057 ( 2.429 0.000 -3.133) 3.964 8.371 ( 0.371 0.000 -7.095) 7.105 8.486 ( -1.974 0.000 15.603) 15.728 8.538 ( 0.852 0.000 -6.338) 6.395 8.631 ( -2.623 0.000 2.587) 3.684 8.916 ( -6.576 0.000 3.072) 7.258 9.210 ( 3.558 0.000 2.764) 4.506 9.288 ( 1.356 0.000 5.779) 5.936 9.463 ( 6.914 0.000 2.644) 7.402 9.716 ( -1.554 0.000 -4.670) 4.922 9.948 ( 5.611 0.000 -0.379) 5.624 9.972 ( 8.030 0.000 -13.561) 15.760 10.436 ( -3.595 0.000 -14.565) 15.002 10.560 ( -2.065 0.000 -10.961) 11.154 10.658 ( 3.108 0.000 -28.989) 29.155 10.841 ( 6.964 0.000 -0.289) 6.970 11.330 ( -8.513 0.000 0.513) 8.529 11.882 ( 0.552 0.000 10.127) 10.142 12.057 ( 5.172 0.000 2.592) 5.785 12.284 ( -3.430 0.000 -3.241) 4.719 12.461 ( -5.689 0.000 -8.901) 10.564 12.664 ( -1.019 0.000 -14.088) 14.125 12.737 ( 4.056 0.000 7.358) 8.402 12.781 ( -1.513 0.000 3.711) 4.008 13.277 ( 1.901 0.000 -0.611) 1.997 13.322 ( -3.097 0.000 3.397) 4.597 13.534 ( 4.819 0.000 13.543) 14.375 13.565 ( 7.330 0.000 -2.705) 7.813 13.758 ( 2.182 0.000 -6.499) 6.855 14.109 ( 1.537 0.000 15.609) 15.685 14.125 ( 0.219 0.000 18.469) 18.471 14.434 ( -6.817 0.000 -4.113) 7.962 14.954 ( -0.546 0.000 -5.045) 5.074 15.095 ( 0.817 0.000 -2.835) 2.951 15.283 ( -3.961 0.000 10.067) 10.818 15.286 ( -2.078 0.000 -11.677) 11.861 15.431 ( 0.117 0.000 10.463) 10.464 15.450 ( -10.713 0.000 2.209) 10.939 15.661 ( -2.329 0.000 0.224) 2.340 15.744 ( 4.779 0.000 4.995) 6.913 16.005 ( -12.217 0.000 -0.013) 12.217 16.224 ( 3.667 0.000 -1.743) 4.060 16.259 ( -4.350 0.000 14.306) 14.953 16.981 ( 5.822 0.000 -5.129) 7.759 17.021 ( -0.942 0.000 9.679) 9.725 17.567 ( -0.767 0.000 9.051) 9.084 17.639 ( 14.157 0.000 7.041) 15.811 18.217 ( -15.349 0.000 -12.833) 20.007 18.404 ( 3.907 0.000 -7.465) 8.425 18.927 ( 11.544 0.000 -8.411) 14.283 19.084 ( -2.496 0.000 2.545) 3.565 19.365 ( -2.635 0.000 12.893) 13.159 20.140 ( 10.740 0.000 -9.656) 14.442 20.323 ( 0.847 0.000 7.570) 7.617 20.398 ( 0.737 0.000 5.453) 5.502 20.643 ( -0.036 0.000 -4.328) 4.328 20.847 ( -0.414 0.000 12.618) 12.624 20.949 ( 1.785 0.000 2.052) 2.720 21.490 ( -9.192 0.000 2.255) 9.464 21.511 ( -0.399 0.000 -4.197) 4.216 21.747 ( -0.775 0.000 -4.961) 5.021 21.764 ( -0.706 0.000 -9.799) 9.824 22.671 ( -0.394 0.000 -3.804) 3.824 22.723 ( -1.458 0.000 -2.209) 2.647 ======================= Grid point 149 (51/80) ======================= q-point: ( 0.29 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.473 ( 11.765 0.000 21.285) 24.320 2.595 ( 12.711 0.000 23.772) 26.957 3.325 ( -4.036 0.000 -1.922) 4.470 3.596 ( -8.449 0.000 10.300) 13.322 3.845 ( -6.043 0.000 -16.273) 17.359 4.190 ( -16.288 0.000 -5.040) 17.050 4.514 ( 3.119 0.000 -1.871) 3.637 4.652 ( 6.561 0.000 9.926) 11.898 4.740 ( 0.390 0.000 -4.778) 4.794 4.800 ( 8.051 0.000 20.265) 21.806 5.082 ( -2.347 0.000 3.190) 3.960 5.130 ( 2.190 0.000 -2.473) 3.303 5.526 ( 0.166 0.000 6.639) 6.642 5.594 ( -6.105 0.000 4.908) 7.833 5.677 ( -3.074 0.000 0.552) 3.123 5.893 ( -5.178 0.000 -7.382) 9.017 5.974 ( -4.331 0.000 8.607) 9.635 6.072 ( 5.734 0.000 2.616) 6.303 6.272 ( 2.281 0.000 -6.652) 7.032 6.380 ( 4.403 0.000 35.569) 35.840 6.534 ( -4.996 0.000 18.336) 19.004 6.709 ( 8.632 0.000 -2.472) 8.979 6.866 ( 5.776 0.000 9.247) 10.903 7.047 ( -3.622 0.000 -2.780) 4.566 7.177 ( 7.181 0.000 -0.908) 7.239 7.215 ( -0.151 0.000 6.382) 6.383 7.284 ( -0.811 0.000 9.377) 9.412 7.403 ( -9.511 0.000 4.702) 10.609 7.451 ( -9.369 0.000 4.178) 10.259 7.594 ( -2.220 0.000 -6.240) 6.623 7.804 ( 9.005 0.000 2.556) 9.361 7.962 ( 5.029 0.000 -8.334) 9.733 8.065 ( -1.285 0.000 -3.775) 3.988 8.351 ( -1.975 0.000 -6.715) 7.000 8.428 ( -4.193 0.000 11.865) 12.584 8.543 ( -6.356 0.000 3.005) 7.030 8.564 ( 1.851 0.000 -4.195) 4.585 8.785 ( -6.025 0.000 -0.916) 6.095 9.292 ( 4.151 0.000 2.001) 4.608 9.318 ( 1.718 0.000 2.143) 2.747 9.624 ( 8.452 0.000 1.226) 8.541 9.710 ( 0.935 0.000 -6.213) 6.283 10.078 ( 7.167 0.000 -1.656) 7.356 10.138 ( 8.127 0.000 -14.303) 16.451 10.367 ( -2.990 0.000 -14.350) 14.658 10.503 ( -3.840 0.000 -11.460) 12.086 10.709 ( 1.825 0.000 -23.359) 23.430 10.904 ( -3.835 0.000 -1.694) 4.192 11.254 ( 4.472 0.000 -1.780) 4.813 11.857 ( -4.715 0.000 7.478) 8.840 12.138 ( 2.561 0.000 -0.169) 2.566 12.185 ( -4.435 0.000 -1.187) 4.591 12.418 ( 1.109 0.000 -11.340) 11.394 12.667 ( 1.267 0.000 -7.359) 7.467 12.724 ( -4.127 0.000 4.173) 5.869 12.785 ( 0.850 0.000 8.143) 8.188 13.293 ( -0.109 0.000 3.444) 3.446 13.307 ( 1.035 0.000 0.854) 1.342 13.651 ( 6.364 0.000 8.308) 10.466 13.705 ( 6.592 0.000 -0.889) 6.652 13.842 ( 6.249 0.000 -4.533) 7.719 14.130 ( -0.005 0.000 16.240) 16.240 14.141 ( 1.620 0.000 15.202) 15.288 14.271 ( -8.750 0.000 -3.099) 9.283 14.944 ( -0.367 0.000 -4.191) 4.207 15.095 ( -1.928 0.000 -3.292) 3.815 15.145 ( -11.441 0.000 -0.185) 11.443 15.181 ( -5.928 0.000 7.448) 9.519 15.312 ( -1.032 0.000 -7.861) 7.928 15.451 ( 1.441 0.000 5.331) 5.523 15.607 ( -2.921 0.000 -1.305) 3.200 15.701 ( -14.944 0.000 1.962) 15.072 15.864 ( 6.268 0.000 8.157) 10.287 16.183 ( -3.635 0.000 17.250) 17.629 16.341 ( 6.207 0.000 -1.327) 6.347 16.831 ( -14.037 0.000 13.388) 19.398 17.143 ( 10.755 0.000 -9.872) 14.598 17.724 ( 13.063 0.000 8.435) 15.550 17.928 ( 13.045 0.000 14.656) 19.621 17.949 ( -12.846 0.000 -14.065) 19.048 18.536 ( 10.047 0.000 -3.691) 10.703 19.019 ( -3.759 0.000 -2.204) 4.358 19.027 ( 0.011 0.000 -8.020) 8.020 19.273 ( -7.139 0.000 13.578) 15.340 20.345 ( 1.375 0.000 7.478) 7.603 20.357 ( 6.865 0.000 -3.073) 7.522 20.435 ( 5.314 0.000 -2.937) 6.072 20.640 ( -0.288 0.000 -5.292) 5.300 20.840 ( -0.124 0.000 12.356) 12.356 20.983 ( 0.319 0.000 6.707) 6.715 21.313 ( -5.984 0.000 0.025) 5.984 21.492 ( -1.823 0.000 -3.571) 4.009 21.725 ( -1.159 0.000 -5.328) 5.453 21.745 ( -1.165 0.000 -8.806) 8.882 22.661 ( -0.553 0.000 -4.569) 4.602 22.690 ( -1.677 0.000 -3.398) 3.789 ======================= Grid point 150 (52/80) ======================= q-point: ( 0.43 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.700 ( 10.056 0.000 6.763) 12.118 2.783 ( 3.673 0.000 6.976) 7.883 3.283 ( 1.925 0.000 10.961) 11.129 3.417 ( -9.555 0.000 18.708) 21.007 3.779 ( 0.709 0.000 -14.510) 14.527 3.902 ( -11.620 0.000 -5.752) 12.965 4.607 ( 5.371 0.000 -6.963) 8.794 4.678 ( -1.532 0.000 -14.018) 14.101 4.773 ( 3.296 0.000 -1.212) 3.511 4.871 ( -4.834 0.000 12.196) 13.119 5.115 ( 5.927 0.000 15.415) 16.515 5.163 ( 0.685 0.000 2.281) 2.382 5.522 ( -1.197 0.000 3.980) 4.156 5.522 ( -0.487 0.000 6.225) 6.244 5.672 ( 3.452 0.000 2.229) 4.109 5.784 ( -6.197 0.000 -0.600) 6.226 5.953 ( 2.224 0.000 10.932) 11.156 6.050 ( -6.137 0.000 10.409) 12.084 6.335 ( 4.677 0.000 12.172) 13.040 6.433 ( -5.167 0.000 17.263) 18.019 6.564 ( 12.516 0.000 17.672) 21.655 6.803 ( -10.321 0.000 9.160) 13.799 6.885 ( 8.815 0.000 1.222) 8.899 7.013 ( -2.861 0.000 4.406) 5.253 7.214 ( -2.006 0.000 -3.177) 3.757 7.216 ( -1.110 0.000 6.816) 6.906 7.248 ( -2.758 0.000 0.738) 2.855 7.263 ( -1.566 0.000 9.710) 9.835 7.420 ( 5.219 0.000 -0.269) 5.226 7.519 ( -4.334 0.000 -4.022) 5.912 7.947 ( 4.980 0.000 -3.461) 6.065 8.021 ( -2.980 0.000 -4.392) 5.307 8.135 ( 10.604 0.000 -0.544) 10.618 8.316 ( -7.377 0.000 6.882) 10.089 8.329 ( 0.782 0.000 -2.864) 2.968 8.406 ( -6.682 0.000 0.573) 6.706 8.614 ( 3.247 0.000 -2.817) 4.298 8.687 ( -4.258 0.000 -2.354) 4.866 9.348 ( 1.096 0.000 -0.714) 1.308 9.349 ( 1.367 0.000 -0.311) 1.402 9.744 ( 1.959 0.000 -3.745) 4.227 9.745 ( 2.975 0.000 -1.142) 3.186 10.217 ( 6.638 0.000 -2.150) 6.977 10.256 ( 3.109 0.000 -12.112) 12.505 10.335 ( 0.044 0.000 -17.216) 17.216 10.406 ( -5.969 0.000 -13.854) 15.085 10.731 ( 0.943 0.000 -13.581) 13.614 10.783 ( -5.220 0.000 -2.327) 5.715 11.440 ( 12.049 0.000 -4.886) 13.002 11.681 ( -11.887 0.000 -1.024) 11.931 12.153 ( 0.196 0.000 -0.806) 0.830 12.159 ( 0.014 0.000 -1.674) 1.674 12.486 ( 5.426 0.000 -6.210) 8.247 12.607 ( -6.286 0.000 -2.887) 6.917 12.724 ( 2.940 0.000 4.718) 5.559 12.774 ( -1.804 0.000 7.358) 7.576 13.304 ( 0.868 0.000 3.608) 3.711 13.316 ( -0.167 0.000 2.895) 2.900 13.769 ( 5.231 0.000 3.521) 6.306 13.803 ( 2.529 0.000 0.923) 2.692 13.958 ( 4.732 0.000 -4.232) 6.348 14.061 ( -6.678 0.000 -2.052) 6.986 14.169 ( 1.145 0.000 16.168) 16.209 14.180 ( -0.410 0.000 14.176) 14.182 14.937 ( -0.677 0.000 -1.416) 1.570 14.953 ( -4.661 0.000 -0.324) 4.673 15.067 ( -1.831 0.000 -2.457) 3.064 15.076 ( -3.654 0.000 2.227) 4.279 15.335 ( 2.940 0.000 -4.528) 5.399 15.428 ( -5.969 0.000 -3.927) 7.144 15.523 ( -0.447 0.000 3.412) 3.441 15.554 ( -2.401 0.000 -0.932) 2.575 15.989 ( 6.261 0.000 12.444) 13.930 16.101 ( -5.024 0.000 15.860) 16.637 16.453 ( 5.766 0.000 4.986) 7.623 16.594 ( -9.445 0.000 10.622) 14.214 17.390 ( 13.994 0.000 -14.371) 20.059 17.669 ( -14.080 0.000 -16.973) 22.053 17.984 ( 9.958 0.000 15.369) 18.313 18.078 ( 1.389 0.000 17.809) 17.863 18.791 ( 15.089 0.000 3.007) 15.386 18.964 ( -1.021 0.000 -6.839) 6.915 18.986 ( -2.892 0.000 -9.690) 10.112 19.077 ( -12.835 0.000 11.450) 17.200 20.373 ( 1.336 0.000 6.824) 6.953 20.391 ( -0.305 0.000 5.773) 5.781 20.568 ( 5.051 0.000 -9.482) 10.743 20.626 ( -1.437 0.000 -7.187) 7.329 20.853 ( 1.825 0.000 12.418) 12.552 20.921 ( -4.900 0.000 12.011) 12.972 21.326 ( 5.334 0.000 -3.875) 6.593 21.432 ( -4.472 0.000 -3.492) 5.674 21.711 ( -0.118 0.000 -6.073) 6.075 21.722 ( -1.074 0.000 -7.405) 7.482 22.654 ( -0.045 0.000 -5.129) 5.129 22.663 ( -0.979 0.000 -4.705) 4.806 ======================= Grid point 154 (53/80) ======================= q-point: ( 0.00 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.334 ( 0.000 11.891 35.246) 37.198 2.558 ( 0.000 25.082 30.980) 39.860 3.407 ( 0.000 -2.325 7.064) 7.437 3.881 ( 0.000 7.661 2.837) 8.169 4.083 ( 0.000 6.114 -12.377) 13.805 4.383 ( 0.000 6.864 33.250) 33.952 4.467 ( 0.000 3.826 -5.851) 6.990 4.600 ( 0.000 -10.681 -8.158) 13.440 4.658 ( 0.000 6.403 1.044) 6.488 4.916 ( 0.000 -1.051 7.484) 7.558 4.989 ( 0.000 -1.376 -2.682) 3.014 5.120 ( 0.000 0.629 -6.955) 6.984 5.476 ( 0.000 -5.602 11.606) 12.887 5.663 ( 0.000 -8.292 8.339) 11.760 5.760 ( 0.000 4.967 -5.129) 7.139 5.848 ( 0.000 -8.098 -14.217) 16.362 5.971 ( 0.000 2.021 6.099) 6.425 6.153 ( 0.000 -8.481 10.988) 13.880 6.174 ( 0.000 -1.701 14.647) 14.745 6.372 ( 0.000 -2.726 0.963) 2.891 6.484 ( 0.000 2.404 -2.644) 3.574 6.539 ( 0.000 4.653 6.900) 8.322 6.896 ( 0.000 10.687 7.107) 12.834 6.975 ( 0.000 2.725 -2.313) 3.574 7.181 ( 0.000 1.054 4.777) 4.892 7.197 ( 0.000 7.138 0.093) 7.138 7.341 ( 0.000 7.407 1.554) 7.569 7.440 ( 0.000 -15.602 2.046) 15.736 7.524 ( 0.000 -0.151 -7.154) 7.156 7.647 ( 0.000 -4.406 14.383) 15.043 7.753 ( 0.000 9.029 -3.899) 9.835 8.134 ( 0.000 7.006 -0.257) 7.011 8.166 ( 0.000 2.018 0.105) 2.020 8.364 ( 0.000 0.629 -6.135) 6.167 8.372 ( 0.000 -5.851 3.723) 6.935 8.565 ( 0.000 -8.064 5.796) 9.931 8.643 ( 0.000 4.231 5.516) 6.952 8.748 ( 0.000 -13.258 2.716) 13.534 9.304 ( 0.000 0.498 6.866) 6.884 9.407 ( 0.000 9.917 4.643) 10.950 9.524 ( 0.000 1.436 -6.941) 7.088 9.556 ( 0.000 -18.049 4.300) 18.554 9.652 ( 0.000 -12.359 -6.989) 14.198 9.804 ( 0.000 -1.395 -3.262) 3.548 10.195 ( 0.000 -0.277 -20.946) 20.948 10.613 ( 0.000 0.159 -34.250) 34.251 10.939 ( 0.000 12.866 1.902) 13.006 11.042 ( 0.000 20.063 -8.089) 21.632 11.396 ( 0.000 -3.351 -2.568) 4.222 11.884 ( 0.000 2.222 7.857) 8.165 11.932 ( 0.000 -6.361 5.401) 8.345 12.278 ( 0.000 -1.117 -6.558) 6.652 12.506 ( 0.000 0.778 1.876) 2.031 12.684 ( 0.000 4.445 -0.055) 4.445 12.774 ( 0.000 5.504 -10.598) 11.942 13.075 ( 0.000 11.417 -3.873) 12.056 13.256 ( 0.000 1.796 1.144) 2.129 13.321 ( 0.000 -1.497 9.787) 9.901 13.447 ( 0.000 -0.937 -6.293) 6.363 13.478 ( 0.000 0.580 10.676) 10.692 13.737 ( 0.000 -0.013 -6.891) 6.891 14.081 ( 0.000 -1.567 16.294) 16.369 14.106 ( 0.000 -1.074 20.216) 20.244 14.341 ( 0.000 -12.454 -2.739) 12.752 14.997 ( 0.000 3.235 -5.684) 6.540 15.122 ( 0.000 -3.473 1.560) 3.807 15.244 ( 0.000 0.349 0.222) 0.414 15.246 ( 0.000 -14.468 12.311) 18.998 15.346 ( 0.000 0.826 -9.374) 9.410 15.624 ( 0.000 1.207 5.225) 5.363 15.646 ( 0.000 2.293 0.870) 2.452 15.865 ( 0.000 9.014 8.500) 12.389 16.072 ( 0.000 -0.370 -8.198) 8.206 16.156 ( 0.000 -1.498 5.226) 5.436 16.519 ( 0.000 13.174 8.139) 15.485 16.759 ( 0.000 -12.422 -0.775) 12.447 16.988 ( 0.000 -2.562 1.216) 2.836 17.556 ( 0.000 8.716 4.218) 9.683 17.708 ( 0.000 6.959 9.670) 11.914 17.812 ( 0.000 -25.640 -2.238) 25.737 18.684 ( 0.000 5.066 -14.264) 15.137 19.039 ( 0.000 16.571 -8.154) 18.469 19.143 ( 0.000 3.219 4.934) 5.892 19.321 ( 0.000 -4.409 14.722) 15.368 20.063 ( 0.000 -23.775 7.868) 25.043 20.075 ( 0.000 -5.969 -0.503) 5.990 20.115 ( 0.000 -3.583 -3.913) 5.305 20.653 ( 0.000 0.889 -4.129) 4.224 20.905 ( 0.000 -2.692 0.443) 2.728 21.074 ( 0.000 13.330 10.439) 16.931 21.448 ( 0.000 0.462 2.892) 2.928 21.641 ( 0.000 -8.399 -7.793) 11.457 21.789 ( 0.000 10.150 -5.131) 11.374 21.808 ( 0.000 1.926 -7.617) 7.857 22.704 ( 0.000 2.483 -3.224) 4.069 22.749 ( 0.000 0.986 -1.922) 2.161 ======================= Grid point 155 (54/80) ======================= q-point: ( 0.14 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.400 ( 6.552 11.051 31.574) 34.087 2.636 ( 7.636 23.824 28.482) 37.909 3.385 ( -2.350 -2.255 4.647) 5.674 3.819 ( -6.014 7.491 4.452) 10.588 4.024 ( -5.179 6.472 -14.805) 16.968 4.431 ( 2.334 0.400 9.322) 9.618 4.485 ( -1.591 5.774 -5.608) 8.205 4.564 ( -0.525 -2.227 5.718) 6.159 4.703 ( 3.476 1.725 12.017) 12.628 4.758 ( -7.148 -1.537 2.323) 7.671 5.041 ( 2.342 -3.214 4.550) 6.042 5.166 ( 2.325 3.651 -9.007) 9.993 5.382 ( -6.741 -7.821 7.800) 12.940 5.634 ( -2.934 -9.267 7.182) 12.085 5.789 ( 1.209 1.317 -2.782) 3.307 5.874 ( -4.403 -6.792 -7.248) 10.865 5.995 ( 6.485 5.579 5.100) 9.959 6.014 ( -3.724 -4.807 2.044) 6.415 6.271 ( -1.851 -7.492 9.787) 12.464 6.335 ( 2.594 5.422 11.842) 13.280 6.549 ( 5.007 4.041 -2.417) 6.873 6.633 ( 7.300 1.744 8.399) 11.264 6.845 ( -2.221 9.609 7.285) 12.261 6.962 ( 0.324 -1.798 -0.236) 1.842 7.209 ( 2.770 6.795 7.418) 10.434 7.296 ( -1.496 -0.638 3.596) 3.947 7.347 ( 5.773 3.709 -4.268) 8.081 7.409 ( -2.985 -1.752 0.350) 3.479 7.534 ( 0.680 -6.215 -0.906) 6.318 7.597 ( -4.326 -4.854 10.275) 12.159 7.746 ( 0.287 12.083 -0.743) 12.109 8.025 ( -4.844 4.625 -1.528) 6.869 8.221 ( 0.492 5.084 -0.320) 5.118 8.343 ( -1.786 -3.774 -3.630) 5.532 8.383 ( 0.602 -2.562 2.741) 3.800 8.544 ( -1.134 -5.850 2.984) 6.664 8.642 ( -0.830 2.841 6.295) 6.956 8.761 ( 0.755 -10.641 1.632) 10.792 9.301 ( -0.220 -0.936 4.158) 4.268 9.339 ( -4.702 6.496 0.334) 8.026 9.505 ( 0.821 -6.965 1.895) 7.265 9.675 ( 6.228 -7.786 0.542) 9.985 9.693 ( 6.012 -17.831 -6.696) 19.973 9.834 ( 1.901 1.857 -5.090) 5.742 10.212 ( 2.492 -1.064 -20.848) 21.024 10.607 ( -1.177 0.707 -32.370) 32.399 10.945 ( -2.220 5.917 -2.010) 6.631 11.018 ( -1.932 16.516 -7.164) 18.106 11.354 ( -0.660 4.024 -0.604) 4.122 11.895 ( 1.019 2.551 7.819) 8.288 11.996 ( 4.158 -4.333 3.227) 6.817 12.289 ( 1.088 -3.381 -6.048) 7.014 12.422 ( -6.131 5.124 0.894) 8.040 12.713 ( 1.559 3.932 -4.901) 6.474 12.783 ( 0.902 4.190 -2.960) 5.208 13.035 ( -3.514 10.197 -3.751) 11.419 13.274 ( 1.340 0.673 1.467) 2.097 13.302 ( -1.077 2.351 7.008) 7.470 13.520 ( 4.902 -0.990 -3.524) 6.118 13.529 ( 6.048 -1.999 10.022) 11.875 13.752 ( 1.932 -0.229 -6.195) 6.494 14.092 ( 0.619 -1.758 16.949) 17.051 14.112 ( 0.754 -0.988 18.049) 18.092 14.296 ( -4.317 -10.651 -2.465) 11.754 14.982 ( -1.376 2.221 -5.207) 5.825 15.108 ( -1.788 -4.880 0.816) 5.261 15.179 ( -2.868 -3.692 5.390) 7.135 15.266 ( -1.865 -7.335 5.207) 9.187 15.361 ( 1.112 2.322 -8.896) 9.261 15.576 ( -2.584 5.541 3.160) 6.882 15.675 ( -0.101 -0.157 3.677) 3.682 15.770 ( -5.995 3.843 5.608) 9.064 15.950 ( -12.094 -3.027 0.722) 12.488 16.182 ( 1.178 0.424 -1.848) 2.232 16.448 ( -2.848 11.808 9.528) 15.437 16.789 ( 2.005 -10.831 0.377) 11.022 17.102 ( 7.394 0.664 0.042) 7.424 17.644 ( 0.376 6.254 9.402) 11.298 17.682 ( 9.748 4.332 8.149) 13.424 17.906 ( 5.784 -16.465 -2.979) 17.704 18.554 ( -8.234 8.263 -13.559) 17.887 19.022 ( -3.411 1.944 -1.034) 4.060 19.165 ( 0.393 4.816 -3.099) 5.740 19.318 ( -0.892 -1.721 15.637) 15.757 20.038 ( -1.304 -23.467 8.284) 24.920 20.112 ( 1.547 -18.275 5.471) 19.139 20.229 ( 11.155 7.641 -11.915) 18.022 20.654 ( 0.080 1.042 -4.385) 4.508 20.934 ( 3.093 -1.819 1.050) 3.739 21.074 ( -0.028 13.677 10.362) 17.159 21.423 ( -2.698 1.028 3.651) 4.655 21.629 ( -1.579 -5.298 -5.842) 8.044 21.742 ( -3.553 8.346 -6.824) 11.351 21.798 ( -1.129 1.851 -7.413) 7.724 22.693 ( -1.143 1.873 -3.473) 4.108 22.736 ( -1.221 1.185 -2.406) 2.947 ======================= Grid point 156 (55/80) ======================= q-point: ( 0.29 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.578 ( 11.198 9.441 21.462) 25.983 2.827 ( 10.803 21.049 20.556) 31.342 3.317 ( -4.134 -1.760 2.191) 4.999 3.668 ( -9.025 7.238 8.973) 14.640 3.911 ( -5.514 6.750 -16.659) 18.801 4.259 ( -15.982 5.025 -2.742) 16.976 4.465 ( 1.775 -2.887 -3.704) 5.021 4.588 ( -0.437 -6.184 -6.263) 8.812 4.761 ( 5.502 0.537 0.658) 5.568 4.821 ( 6.529 -0.705 24.623) 25.484 5.090 ( 1.539 0.993 4.162) 4.547 5.175 ( -1.726 3.144 -6.913) 7.788 5.284 ( -0.306 -9.890 12.577) 16.002 5.553 ( -4.692 -5.814 3.524) 8.261 5.746 ( -6.044 -3.805 -2.773) 7.661 5.812 ( 1.286 -5.214 5.796) 7.901 5.946 ( -1.861 3.541 3.273) 5.169 6.141 ( -6.309 -5.501 2.641) 8.777 6.223 ( 10.455 5.361 1.297) 11.821 6.458 ( 7.182 7.012 19.747) 22.151 6.652 ( 3.799 0.012 -4.321) 5.753 6.686 ( -0.275 9.263 19.046) 21.181 6.895 ( 5.263 3.534 5.314) 8.272 7.000 ( 2.387 -3.012 0.290) 3.854 7.235 ( -2.947 -8.259 3.392) 9.403 7.241 ( -0.815 2.985 7.425) 8.044 7.312 ( -3.840 3.791 1.163) 5.520 7.399 ( -1.034 8.893 3.078) 9.467 7.453 ( -8.571 0.709 7.853) 11.646 7.552 ( -0.689 -3.782 -0.495) 3.876 7.844 ( 8.633 5.736 -2.336) 10.625 8.012 ( 3.596 4.479 -2.668) 6.334 8.181 ( -3.706 4.446 -0.391) 5.801 8.300 ( -2.273 -5.194 -2.259) 6.103 8.381 ( -1.159 -0.526 3.813) 4.020 8.532 ( -1.376 -1.577 1.054) 2.343 8.602 ( -2.186 1.221 4.452) 5.108 8.749 ( -2.210 -3.560 -0.837) 4.273 9.290 ( 0.398 -4.286 -1.154) 4.457 9.309 ( 0.456 0.025 0.496) 0.674 9.529 ( 2.121 -8.271 -0.119) 8.539 9.775 ( -0.975 -19.336 -1.480) 19.417 9.822 ( 8.684 -13.395 -0.482) 15.971 9.909 ( 8.198 7.354 -8.418) 13.862 10.296 ( 4.969 -0.877 -22.280) 22.844 10.543 ( -5.834 0.763 -25.745) 26.408 10.829 ( -7.021 -4.015 -3.729) 8.906 10.956 ( -4.611 8.772 -7.373) 12.351 11.447 ( 8.779 15.209 -2.671) 17.763 11.909 ( -0.642 5.108 6.723) 8.468 12.029 ( -0.342 -1.053 -0.914) 1.435 12.232 ( -6.583 -1.630 -3.390) 7.581 12.423 ( 6.408 3.268 -0.304) 7.200 12.747 ( 2.389 6.356 -5.412) 8.683 12.782 ( -1.739 1.049 1.894) 2.777 12.960 ( -3.813 10.845 -2.919) 11.860 13.289 ( -0.250 2.153 5.879) 6.266 13.294 ( 0.565 0.128 3.892) 3.935 13.628 ( 5.986 -2.110 1.060) 6.435 13.661 ( 6.440 -3.001 2.815) 7.642 13.827 ( 5.505 -1.137 -4.230) 7.035 14.098 ( -0.313 -1.796 17.513) 17.607 14.121 ( -0.729 -3.292 9.525) 10.104 14.197 ( -4.279 -4.793 3.890) 7.511 14.953 ( -1.399 0.385 -3.949) 4.207 15.042 ( -4.918 -4.932 0.732) 7.003 15.139 ( -1.883 0.772 2.221) 3.013 15.176 ( -5.954 -3.618 3.421) 7.762 15.367 ( -0.427 5.546 -5.161) 7.588 15.548 ( -0.445 6.716 1.085) 6.818 15.594 ( -5.525 -1.427 -0.534) 5.731 15.646 ( -10.829 -2.787 2.047) 11.368 15.807 ( 2.045 -3.533 5.132) 6.557 16.125 ( -5.789 -4.644 7.247) 10.373 16.484 ( 4.835 11.275 5.381) 13.396 16.786 ( -3.081 -2.234 6.478) 7.513 17.225 ( 7.214 5.143 -5.849) 10.616 17.733 ( 4.631 -1.045 3.134) 5.689 17.850 ( 5.445 1.405 6.630) 8.694 18.020 ( 6.975 -0.931 5.651) 9.025 18.505 ( 4.901 0.423 -6.808) 8.399 18.940 ( -3.593 -3.086 -1.284) 4.907 19.104 ( -6.470 -0.929 -5.928) 8.824 19.258 ( -5.715 0.638 14.295) 15.409 20.030 ( 0.556 -23.802 8.801) 25.383 20.121 ( -0.536 -20.482 6.100) 21.377 20.459 ( 10.219 6.191 -12.666) 17.413 20.654 ( -0.144 1.369 -5.293) 5.470 21.024 ( 5.123 2.886 4.183) 7.216 21.079 ( 0.987 13.303 9.521) 16.389 21.350 ( -3.701 3.969 3.307) 6.355 21.569 ( -4.051 3.065 -3.660) 6.261 21.699 ( -0.738 0.630 -8.194) 8.252 21.767 ( -1.899 1.364 -7.282) 7.648 22.667 ( -1.204 0.760 -4.203) 4.438 22.706 ( -1.741 1.202 -3.701) 4.263 ======================= Grid point 157 (56/80) ======================= q-point: ( 0.43 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.809 ( 11.481 9.104 7.704) 16.555 2.960 ( -1.013 14.874 3.107) 15.229 3.294 ( 4.879 2.299 14.310) 15.293 3.474 ( -10.686 6.849 14.773) 19.477 3.856 ( 1.065 6.816 -11.557) 13.459 3.977 ( -11.238 6.139 -3.297) 13.223 4.511 ( 2.885 -6.288 -6.618) 9.574 4.564 ( -2.077 -7.258 -8.775) 11.576 4.858 ( 3.919 -0.153 0.982) 4.043 4.898 ( 0.565 -2.852 10.517) 10.912 5.081 ( -0.418 -0.597 -3.205) 3.286 5.110 ( -3.100 -4.159 -6.433) 8.263 5.393 ( 6.399 -4.015 19.496) 20.909 5.475 ( -3.301 -4.377 6.294) 8.347 5.709 ( 3.597 3.355 3.110) 5.819 5.818 ( -3.384 -2.699 10.324) 11.194 5.910 ( 1.059 1.724 2.481) 3.202 6.006 ( -6.893 -6.142 10.068) 13.660 6.420 ( 8.755 8.710 6.596) 14.001 6.548 ( -2.635 6.829 13.168) 15.065 6.657 ( 5.006 8.602 13.476) 16.753 6.742 ( 0.260 -0.133 6.592) 6.599 6.967 ( 2.324 2.689 7.476) 8.278 7.007 ( -0.804 0.624 4.023) 4.149 7.139 ( -3.856 -4.962 0.720) 6.325 7.167 ( -5.727 -1.413 4.769) 7.586 7.311 ( 1.109 5.957 4.251) 7.402 7.358 ( -2.658 5.617 6.273) 8.830 7.412 ( 5.170 0.131 0.475) 5.193 7.509 ( -3.735 -1.148 -1.108) 4.062 7.988 ( 5.708 2.755 -3.461) 7.222 8.081 ( -2.939 3.933 -3.844) 6.236 8.151 ( 5.595 0.394 3.277) 6.496 8.256 ( -3.367 -4.229 3.685) 6.543 8.359 ( 0.919 2.577 -0.242) 2.746 8.442 ( -6.114 2.603 1.000) 6.720 8.619 ( 2.955 -0.354 -0.277) 2.989 8.688 ( -3.701 0.040 -1.351) 3.940 9.313 ( 1.016 -5.143 -2.438) 5.781 9.319 ( 0.292 -3.009 -2.456) 3.895 9.601 ( 5.046 -12.371 -1.031) 13.400 9.704 ( -5.007 -15.240 -2.325) 16.209 9.999 ( 8.643 -9.111 0.238) 12.561 10.066 ( 4.491 -0.915 -3.014) 5.485 10.341 ( -0.255 -1.701 -24.114) 24.175 10.404 ( -6.587 -0.178 -22.924) 23.852 10.766 ( 1.534 -2.964 -4.747) 5.803 10.851 ( -5.692 2.740 -7.838) 10.066 11.638 ( 10.028 16.255 -4.483) 19.619 11.820 ( -7.998 12.752 -1.349) 15.113 12.047 ( 2.649 -2.222 0.512) 3.496 12.120 ( -4.657 -1.768 -0.765) 5.039 12.572 ( 7.848 1.220 0.728) 7.975 12.708 ( -5.704 0.127 1.896) 6.012 12.810 ( 3.841 9.188 -3.048) 10.414 12.887 ( -3.845 11.095 -1.853) 11.888 13.291 ( 0.356 0.614 6.012) 6.054 13.297 ( -0.185 -0.452 5.336) 5.359 13.736 ( 4.475 -3.270 0.617) 5.577 13.760 ( 2.766 -3.680 1.232) 4.766 13.924 ( 3.837 -2.770 -4.082) 6.250 14.015 ( -5.890 -3.752 -1.967) 7.255 14.134 ( 1.951 -1.854 16.660) 16.876 14.165 ( -0.837 -0.853 16.299) 16.343 14.931 ( -0.800 -0.848 -1.417) 1.835 14.946 ( -3.282 -0.991 0.290) 3.441 15.090 ( -1.692 1.655 -0.956) 2.553 15.100 ( -2.354 1.306 2.558) 3.713 15.364 ( 0.887 1.776 -0.765) 2.128 15.431 ( -6.631 -2.348 -0.650) 7.065 15.549 ( 0.290 3.826 -1.542) 4.135 15.562 ( -1.153 2.653 -5.880) 6.553 15.888 ( 5.250 -7.186 9.802) 13.239 16.002 ( -6.296 -7.356 10.277) 14.119 16.586 ( 5.347 10.474 6.737) 13.553 16.693 ( -5.512 7.403 8.944) 12.853 17.415 ( 11.613 2.770 -12.109) 17.005 17.642 ( -10.490 -1.104 -12.625) 16.452 18.013 ( 8.882 1.930 15.903) 18.317 18.112 ( 0.039 1.975 16.089) 16.210 18.698 ( 12.365 -8.274 -1.724) 14.977 18.926 ( -7.558 -8.108 -7.372) 13.312 18.943 ( 1.393 1.169 0.479) 1.881 19.100 ( -9.703 2.320 8.213) 12.922 20.056 ( 1.898 -23.032 8.164) 24.510 20.095 ( -1.930 -21.872 7.005) 23.047 20.596 ( 4.138 3.084 -9.775) 11.054 20.643 ( -1.169 1.821 -7.068) 7.391 21.075 ( 1.495 12.656 10.044) 16.226 21.105 ( -0.663 11.259 9.870) 14.988 21.358 ( 5.223 3.604 -2.739) 6.911 21.478 ( -5.621 4.039 -3.470) 7.742 21.701 ( 0.807 -0.614 -7.314) 7.384 21.729 ( -1.886 0.467 -7.117) 7.378 22.655 ( 0.156 0.302 -4.997) 5.009 22.673 ( -1.502 0.671 -4.840) 5.112 ======================= Grid point 161 (57/80) ======================= q-point: ( 0.00 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.630 ( 0.000 16.367 31.459) 35.462 3.133 ( 0.000 29.289 23.576) 37.599 3.260 ( 0.000 -11.988 17.833) 21.488 4.013 ( 0.000 -1.542 6.349) 6.534 4.253 ( 0.000 10.584 -5.697) 12.020 4.374 ( 0.000 -6.153 -3.739) 7.200 4.464 ( 0.000 0.973 -7.215) 7.280 4.640 ( 0.000 8.941 -14.259) 16.831 4.791 ( 0.000 -1.872 6.644) 6.902 4.878 ( 0.000 -1.506 2.006) 2.508 4.998 ( 0.000 11.594 28.088) 30.387 5.103 ( 0.000 -0.695 -10.349) 10.372 5.426 ( 0.000 0.159 7.746) 7.748 5.459 ( 0.000 -13.567 2.193) 13.743 5.677 ( 0.000 -2.129 -9.036) 9.284 5.873 ( 0.000 0.812 -9.539) 9.573 5.923 ( 0.000 -6.353 3.406) 7.208 6.071 ( 0.000 -6.754 18.156) 19.372 6.170 ( 0.000 9.203 1.777) 9.373 6.338 ( 0.000 -10.358 1.795) 10.512 6.391 ( 0.000 4.372 9.674) 10.616 6.850 ( 0.000 21.489 2.395) 21.622 7.049 ( 0.000 -2.217 -9.506) 9.761 7.072 ( 0.000 5.333 1.748) 5.612 7.075 ( 0.000 -13.115 -1.336) 13.183 7.214 ( 0.000 1.464 4.615) 4.842 7.379 ( 0.000 7.812 17.131) 18.828 7.402 ( 0.000 4.101 -8.117) 9.094 7.539 ( 0.000 -5.782 9.632) 11.234 7.666 ( 0.000 9.147 4.877) 10.366 7.944 ( 0.000 -0.015 3.094) 3.094 8.141 ( 0.000 3.972 4.938) 6.337 8.177 ( 0.000 -3.586 -2.236) 4.226 8.327 ( 0.000 0.536 1.101) 1.225 8.355 ( 0.000 -1.278 5.768) 5.908 8.445 ( 0.000 -2.090 3.898) 4.423 8.531 ( 0.000 -7.981 1.859) 8.195 8.669 ( 0.000 -1.427 5.424) 5.608 8.968 ( 0.000 -26.387 -2.855) 26.541 9.066 ( 0.000 -22.023 0.007) 22.023 9.396 ( 0.000 4.826 2.618) 5.490 9.591 ( 0.000 1.049 6.751) 6.832 9.830 ( 0.000 4.068 -8.594) 9.508 9.831 ( 0.000 7.304 -14.014) 15.803 10.401 ( 0.000 16.787 -16.519) 23.552 10.634 ( 0.000 1.979 -32.135) 32.196 11.144 ( 0.000 5.790 -0.167) 5.792 11.189 ( 0.000 -4.374 -5.044) 6.677 11.434 ( 0.000 7.277 -4.799) 8.717 11.719 ( 0.000 -11.865 6.435) 13.498 12.038 ( 0.000 12.105 4.271) 12.836 12.353 ( 0.000 8.204 -4.393) 9.306 12.560 ( 0.000 2.053 2.240) 3.038 12.765 ( 0.000 1.329 -1.102) 1.726 12.827 ( 0.000 -1.394 -6.719) 6.862 12.921 ( 0.000 -13.621 -0.941) 13.653 13.261 ( 0.000 0.366 3.132) 3.154 13.381 ( 0.000 -4.755 3.842) 6.114 13.597 ( 0.000 10.696 1.367) 10.783 13.604 ( 0.000 14.142 0.968) 14.176 13.771 ( 0.000 4.735 -6.068) 7.696 13.974 ( 0.000 -9.121 4.653) 10.239 14.108 ( 0.000 1.776 20.097) 20.175 14.164 ( 0.000 -3.251 10.934) 11.407 14.896 ( 0.000 -15.296 12.930) 20.028 14.936 ( 0.000 -11.981 4.430) 12.774 15.108 ( 0.000 4.383 -6.932) 8.202 15.263 ( 0.000 -1.193 -5.123) 5.260 15.370 ( 0.000 2.483 -2.846) 3.777 15.584 ( 0.000 -4.807 4.102) 6.320 15.779 ( 0.000 9.529 -3.065) 10.009 15.979 ( 0.000 4.838 8.249) 9.563 16.038 ( 0.000 -3.194 -3.446) 4.698 16.297 ( 0.000 12.985 -1.910) 13.125 16.464 ( 0.000 -15.752 -2.038) 15.883 16.817 ( 0.000 15.944 4.643) 16.606 16.836 ( 0.000 -11.479 -1.653) 11.597 17.419 ( 0.000 -14.903 -0.727) 14.921 17.829 ( 0.000 15.814 6.998) 17.294 17.877 ( 0.000 9.207 14.007) 16.762 18.806 ( 0.000 5.237 -11.368) 12.516 18.944 ( 0.000 -14.157 3.977) 14.705 19.221 ( 0.000 3.878 7.465) 8.412 19.364 ( 0.000 1.475 12.837) 12.922 19.601 ( 0.000 -18.725 7.016) 19.997 19.713 ( 0.000 -17.302 -0.024) 17.302 20.409 ( 0.000 19.361 -15.566) 24.843 20.676 ( 0.000 1.289 -4.510) 4.691 20.851 ( 0.000 -1.700 0.105) 1.704 21.193 ( 0.000 -5.602 0.854) 5.667 21.498 ( 0.000 2.882 4.870) 5.659 21.506 ( 0.000 -1.252 -1.114) 1.676 21.857 ( 0.000 3.019 -7.792) 8.356 21.921 ( 0.000 2.839 -6.533) 7.123 22.754 ( 0.000 2.054 -2.758) 3.439 22.771 ( 0.000 0.936 -2.117) 2.315 ======================= Grid point 162 (58/80) ======================= q-point: ( 0.14 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.674 ( 4.515 15.144 28.445) 32.540 3.189 ( 5.531 28.066 22.572) 36.439 3.251 ( -0.891 -10.347 14.455) 17.799 3.980 ( -3.693 3.654 5.103) 7.282 4.200 ( -5.089 9.869 -11.666) 16.106 4.371 ( 0.597 -9.804 0.911) 9.864 4.430 ( -3.383 -1.119 -7.684) 8.470 4.591 ( -8.244 -1.183 -2.529) 8.704 4.732 ( -0.701 2.925 -11.003) 11.407 4.814 ( -5.261 1.973 12.385) 13.599 5.069 ( 5.401 11.383 23.435) 26.607 5.197 ( 6.833 -0.828 -8.758) 11.140 5.324 ( -7.369 -0.647 2.835) 7.922 5.464 ( -0.697 -5.731 4.382) 7.247 5.635 ( -2.227 -10.701 -1.241) 11.001 5.708 ( -9.170 -7.667 -3.300) 12.400 6.054 ( 4.424 0.644 -6.873) 8.199 6.119 ( 1.992 4.710 0.811) 5.177 6.186 ( 3.656 3.099 17.539) 18.182 6.362 ( 5.648 -3.055 13.428) 14.884 6.546 ( 11.439 -1.283 3.445) 12.015 6.861 ( 1.281 18.737 1.302) 18.825 6.971 ( -4.293 3.883 -2.270) 6.218 7.005 ( -2.865 -8.604 -1.189) 9.146 7.077 ( -1.215 -0.740 2.163) 2.589 7.315 ( 0.674 -0.146 1.240) 1.419 7.370 ( 4.505 0.463 3.430) 5.681 7.468 ( 1.165 5.436 7.344) 9.211 7.551 ( 3.853 0.851 6.319) 7.450 7.642 ( -2.881 10.481 5.549) 12.204 7.970 ( 2.285 -3.572 4.725) 6.348 8.026 ( -7.034 4.356 2.477) 8.637 8.189 ( -1.597 -4.096 1.042) 4.518 8.292 ( -1.371 1.848 2.455) 3.365 8.411 ( 2.879 0.263 3.002) 4.168 8.433 ( -0.518 -2.957 2.719) 4.051 8.563 ( 3.079 -6.882 2.395) 7.910 8.663 ( -1.316 -3.041 4.577) 5.650 8.941 ( -1.681 -24.153 -2.004) 24.294 9.105 ( 3.453 -22.285 -0.972) 22.572 9.383 ( -1.272 4.184 1.427) 4.600 9.575 ( -1.861 -2.186 4.049) 4.964 9.799 ( 1.802 11.408 -9.021) 14.654 9.959 ( 7.670 3.897 -11.308) 14.208 10.335 ( -4.414 11.782 -19.306) 23.044 10.641 ( -0.323 2.394 -28.948) 29.049 10.937 ( -14.175 -3.655 -1.584) 14.724 11.167 ( -6.977 -2.140 -4.367) 8.505 11.521 ( 9.931 10.494 -1.244) 14.501 11.867 ( 10.981 -6.794 2.625) 13.177 12.051 ( 1.303 11.737 3.709) 12.377 12.339 ( -1.441 8.012 -3.833) 8.998 12.528 ( -2.847 4.104 1.311) 5.164 12.762 ( -0.499 -0.907 -0.179) 1.050 12.821 ( -0.550 -2.579 -4.837) 5.509 12.914 ( -0.602 -12.417 -3.009) 12.791 13.283 ( 2.132 1.621 3.629) 4.510 13.424 ( 3.574 -3.925 6.358) 8.283 13.595 ( -0.305 11.421 -1.055) 11.473 13.610 ( 1.018 9.410 2.836) 9.881 13.774 ( 0.872 3.131 -4.734) 5.742 13.993 ( 1.116 -8.386 0.431) 8.471 14.110 ( 0.210 2.586 18.739) 18.917 14.162 ( 0.124 -1.234 13.829) 13.884 14.899 ( 0.226 -13.244 11.829) 17.759 14.923 ( -1.178 -10.576 3.512) 11.206 15.101 ( -0.599 2.601 -6.041) 6.604 15.235 ( -2.652 -1.290 -4.452) 5.340 15.393 ( 2.004 2.016 -2.204) 3.597 15.584 ( -0.251 -4.315 5.047) 6.645 15.765 ( -1.404 8.806 -3.332) 9.520 15.847 ( -10.501 4.211 4.447) 12.157 15.937 ( -10.100 0.199 -4.342) 10.996 16.186 ( -8.051 -2.890 -0.282) 8.559 16.573 ( 6.622 0.236 -2.881) 7.225 16.733 ( 1.433 5.082 7.000) 8.769 17.062 ( 12.081 -0.619 -2.821) 12.422 17.503 ( 8.231 -14.058 -0.576) 16.300 17.868 ( 0.863 10.385 12.813) 16.515 17.911 ( 5.882 11.562 10.575) 16.737 18.714 ( -7.898 6.060 -9.567) 13.806 18.892 ( -4.570 -11.814 1.790) 12.793 19.202 ( -2.873 3.066 5.493) 6.916 19.347 ( -1.968 -0.541 11.613) 11.791 19.573 ( -1.679 -18.657 7.512) 20.183 19.723 ( 0.370 -17.759 2.308) 17.912 20.492 ( 6.816 14.964 -14.920) 22.203 20.679 ( 0.260 1.266 -4.929) 5.095 20.903 ( 5.662 0.078 0.139) 5.665 21.219 ( 2.403 -2.952 2.417) 4.509 21.471 ( -1.821 2.608 3.405) 4.659 21.519 ( 0.634 -1.356 0.125) 1.502 21.841 ( -1.642 2.656 -7.710) 8.319 21.878 ( -4.043 3.526 -6.640) 8.536 22.733 ( -1.918 1.895 -2.994) 4.030 22.759 ( -1.244 0.803 -2.681) 3.063 ======================= Grid point 163 (59/80) ======================= q-point: ( 0.29 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.803 ( 8.503 11.996 20.159) 24.952 3.222 ( -2.304 -6.325 7.732) 10.252 3.336 ( 9.013 25.738 18.576) 32.997 3.872 ( -6.948 10.968 3.959) 13.574 4.077 ( -6.538 8.083 -12.100) 15.953 4.295 ( -11.225 -1.977 -2.033) 11.577 4.404 ( 1.780 -11.464 -1.615) 11.713 4.442 ( -3.663 -2.782 -3.440) 5.744 4.670 ( -5.185 -6.740 9.352) 12.640 4.754 ( -1.818 -2.619 -2.389) 3.984 5.148 ( 1.397 6.100 -1.953) 6.556 5.193 ( -3.997 2.921 -2.943) 5.760 5.334 ( 5.107 3.979 8.384) 10.593 5.435 ( -2.310 -3.100 1.290) 4.075 5.608 ( 1.217 -11.810 2.829) 12.205 5.632 ( 2.641 -6.162 5.823) 8.880 6.037 ( -8.028 -0.974 3.634) 8.866 6.083 ( -0.508 6.300 2.647) 6.852 6.369 ( 11.740 5.769 7.688) 15.172 6.514 ( 7.513 -0.863 17.428) 18.998 6.736 ( 6.182 5.216 0.851) 8.133 6.905 ( 0.718 10.363 5.686) 11.843 6.955 ( 5.207 1.378 -1.216) 5.522 6.985 ( 0.866 -4.907 1.348) 5.162 7.053 ( -0.425 1.869 5.876) 6.180 7.303 ( -2.254 3.663 -3.238) 5.384 7.336 ( -3.235 -2.382 4.715) 6.194 7.512 ( -4.856 3.910 7.850) 10.024 7.565 ( -0.740 8.302 8.279) 11.748 7.598 ( -0.407 8.171 5.520) 9.869 7.948 ( 0.169 -1.804 1.901) 2.626 8.024 ( 2.920 -2.402 4.442) 5.833 8.146 ( -1.678 -5.064 3.274) 6.259 8.262 ( -2.471 3.717 0.228) 4.470 8.413 ( -0.256 0.827 0.299) 0.916 8.476 ( 1.599 -5.090 3.099) 6.170 8.572 ( -3.100 -3.957 7.046) 8.655 8.653 ( 1.936 -6.037 0.750) 6.384 8.951 ( 3.381 -17.554 -2.586) 18.063 9.177 ( 3.155 -20.396 -2.343) 20.772 9.353 ( -1.397 2.214 -1.023) 2.811 9.522 ( -3.514 -5.300 -0.130) 6.360 9.877 ( 5.657 13.134 -4.341) 14.945 10.104 ( 6.962 6.353 -12.442) 15.609 10.305 ( 1.364 2.181 -24.135) 24.271 10.592 ( -6.549 5.439 -22.546) 24.100 10.662 ( -10.463 -10.778 -0.682) 15.037 10.994 ( -9.973 -5.282 -5.360) 12.494 11.744 ( 11.788 13.259 -2.182) 17.875 12.048 ( 6.025 3.883 2.187) 7.494 12.091 ( 2.837 8.347 0.829) 8.855 12.292 ( -3.663 7.918 -2.134) 8.982 12.481 ( -0.681 4.097 0.056) 4.154 12.736 ( -2.658 -3.655 3.796) 5.902 12.813 ( 0.322 -5.802 -6.407) 8.649 12.901 ( -0.817 -11.170 -4.157) 11.947 13.337 ( 3.117 5.482 6.227) 8.862 13.469 ( 0.038 4.777 11.852) 12.779 13.608 ( 2.231 2.781 -4.838) 6.011 13.645 ( 2.380 2.134 3.244) 4.554 13.817 ( 3.317 0.795 -3.732) 5.056 13.989 ( -1.680 -7.123 -4.296) 8.486 14.122 ( 1.298 4.996 17.347) 18.098 14.176 ( 0.974 1.866 16.553) 16.686 14.890 ( -1.094 -7.224 3.555) 8.125 14.915 ( 0.501 -8.961 8.370) 12.272 15.084 ( -1.167 -0.035 -4.666) 4.810 15.172 ( -3.377 -0.744 -2.866) 4.491 15.416 ( -1.020 0.188 0.228) 1.062 15.537 ( -6.363 -3.070 4.399) 8.322 15.648 ( -6.674 4.932 -2.102) 8.560 15.725 ( -2.733 5.994 0.058) 6.588 15.773 ( -3.705 0.953 -6.859) 7.854 16.019 ( -8.320 -5.921 0.652) 10.232 16.690 ( 5.448 7.315 -0.574) 9.139 16.802 ( 3.419 3.439 6.971) 8.492 17.285 ( 11.163 2.741 -5.349) 12.678 17.690 ( 8.574 -7.776 -0.043) 11.575 17.877 ( 0.697 3.996 12.791) 13.419 18.051 ( 7.000 5.965 12.134) 15.226 18.566 ( -5.735 2.848 -2.331) 6.814 18.809 ( -2.991 -8.956 -2.865) 9.867 19.092 ( -7.532 2.491 2.835) 8.425 19.279 ( -5.264 -0.419 8.124) 9.690 19.569 ( 1.382 -18.593 9.301) 20.836 19.713 ( -1.403 -18.263 4.970) 18.979 20.606 ( 4.207 6.733 -11.948) 14.346 20.683 ( 0.079 1.212 -5.981) 6.103 21.069 ( 10.322 3.702 0.187) 10.967 21.267 ( 2.003 2.443 5.829) 6.630 21.437 ( -1.213 4.284 3.645) 5.754 21.538 ( 1.516 -2.384 -1.339) 3.127 21.781 ( -5.040 4.029 -7.567) 9.945 21.799 ( -2.950 1.757 -7.164) 7.945 22.691 ( -2.067 1.450 -3.904) 4.650 22.724 ( -2.211 0.336 -3.830) 4.435 ======================= Grid point 164 (60/80) ======================= q-point: ( 0.43 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.987 ( 9.586 7.564 9.500) 15.471 3.145 ( -6.006 1.156 3.481) 7.037 3.525 ( 10.019 20.811 13.059) 26.534 3.715 ( -9.108 15.878 6.160) 19.314 3.996 ( -0.515 5.476 -3.647) 6.599 4.080 ( -8.782 2.533 0.561) 9.157 4.413 ( 0.002 -2.840 -7.853) 8.351 4.419 ( -0.279 -7.093 -6.477) 9.609 4.626 ( 0.850 -18.088 9.960) 20.666 4.684 ( -4.391 -13.451 4.139) 14.743 5.144 ( 0.077 5.685 -11.526) 12.852 5.158 ( -1.061 6.064 -7.832) 9.962 5.376 ( 0.631 -0.526 8.799) 8.837 5.396 ( -1.551 -3.416 -1.916) 4.213 5.693 ( 6.662 -6.388 5.570) 10.780 5.787 ( 8.218 -6.093 8.496) 13.298 5.871 ( -5.563 5.371 10.989) 13.437 6.010 ( -7.512 3.446 9.815) 12.831 6.566 ( 7.026 3.952 6.678) 10.467 6.614 ( 1.971 0.377 12.277) 12.440 6.823 ( 4.190 8.763 4.391) 10.659 6.890 ( -1.980 9.329 8.230) 12.597 7.007 ( 2.049 2.969 3.657) 5.137 7.043 ( -0.194 -0.497 4.036) 4.071 7.098 ( 4.696 3.526 5.775) 8.236 7.207 ( -6.747 2.771 -0.501) 7.311 7.333 ( 2.618 -0.528 2.004) 3.339 7.399 ( -3.554 3.544 4.168) 6.525 7.538 ( -0.996 5.840 5.258) 7.921 7.565 ( -2.868 9.275 7.563) 12.307 8.001 ( 4.904 -2.401 0.949) 5.542 8.083 ( 1.261 -6.008 6.621) 9.029 8.123 ( -0.823 -2.996 1.735) 3.559 8.181 ( -5.104 -4.168 1.852) 6.845 8.408 ( 0.029 0.956 1.864) 2.095 8.434 ( -2.671 -4.685 3.353) 6.350 8.599 ( 3.802 -1.031 3.634) 5.360 8.659 ( -1.713 -3.156 1.763) 4.000 9.065 ( 7.267 -12.704 -4.220) 15.232 9.183 ( -3.510 -12.795 -4.350) 13.963 9.359 ( 2.638 -4.402 -2.286) 5.618 9.438 ( -4.760 -6.460 -2.015) 8.274 10.024 ( 9.508 8.405 -1.544) 12.784 10.208 ( -3.483 9.155 -4.111) 10.623 10.291 ( 1.918 -2.720 -25.418) 25.635 10.420 ( -7.062 3.180 -23.337) 24.588 10.629 ( 5.032 -9.757 -5.493) 12.276 10.793 ( -10.151 -7.634 -6.788) 14.401 11.959 ( 9.862 13.766 -3.445) 17.281 12.099 ( -2.662 11.619 -2.750) 12.234 12.127 ( 2.364 9.904 2.057) 10.388 12.197 ( -5.022 9.084 0.759) 10.407 12.535 ( 5.493 -2.434 0.849) 6.068 12.652 ( -5.679 -4.381 2.500) 7.596 12.840 ( 2.037 -9.138 -4.839) 10.539 12.878 ( -1.624 -10.685 -4.110) 11.563 13.394 ( 2.665 9.274 9.325) 13.419 13.441 ( -2.154 9.903 11.442) 15.285 13.664 ( 2.588 -3.141 -1.750) 4.430 13.683 ( 0.839 -3.215 1.524) 3.656 13.881 ( 2.956 -0.974 -4.403) 5.392 13.939 ( -3.021 -3.428 -4.536) 6.438 14.160 ( 2.173 5.059 16.324) 17.228 14.186 ( -0.254 3.600 16.311) 16.706 14.882 ( 0.677 -3.792 2.951) 4.852 14.910 ( -1.412 -3.535 6.057) 7.154 15.073 ( 0.893 -2.069 -2.113) 3.089 15.114 ( -2.631 -1.079 -1.322) 3.136 15.359 ( -2.445 -1.313 -0.540) 2.827 15.386 ( -5.746 -0.768 -1.268) 5.934 15.624 ( 1.880 4.160 -2.875) 5.395 15.673 ( -2.685 3.833 0.211) 4.684 15.781 ( 3.276 -1.832 -2.939) 4.767 15.876 ( -6.216 -4.584 -0.026) 7.723 16.782 ( 3.802 7.451 2.280) 8.670 16.829 ( -0.741 5.402 5.371) 7.653 17.505 ( 11.178 6.634 -6.365) 14.473 17.698 ( -7.292 7.379 -2.248) 10.615 17.975 ( 8.659 -7.625 11.223) 16.095 18.111 ( -2.914 -3.063 14.654) 15.251 18.554 ( 5.900 -3.814 1.747) 7.239 18.726 ( -8.178 -9.540 0.095) 12.566 19.017 ( 2.875 5.759 0.750) 6.480 19.146 ( -7.874 2.160 4.386) 9.268 19.614 ( 2.890 -18.608 8.644) 20.721 19.671 ( -2.731 -18.528 7.019) 20.000 20.660 ( 1.646 2.697 -9.196) 9.723 20.680 ( -0.491 1.462 -7.390) 7.550 21.233 ( 5.008 4.820 4.661) 8.369 21.282 ( -0.723 4.694 7.272) 8.686 21.463 ( 4.665 5.853 0.443) 7.497 21.554 ( -1.833 2.276 -0.431) 2.954 21.703 ( -1.287 1.148 -8.929) 9.095 21.737 ( -3.217 0.280 -7.592) 8.250 22.666 ( -0.273 0.643 -4.859) 4.909 22.682 ( -1.778 0.134 -4.826) 5.145 ======================= Grid point 168 (61/80) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.963 ( 0.000 -16.326 26.074) 30.764 2.963 ( 0.000 16.326 26.074) 30.764 3.684 ( 0.000 -24.601 16.903) 29.849 3.684 ( 0.000 24.601 16.903) 29.849 4.425 ( 0.000 -4.593 -11.636) 12.509 4.425 ( 0.000 4.593 -11.636) 12.509 4.521 ( 0.000 -14.786 3.192) 15.126 4.521 ( 0.000 14.786 3.192) 15.126 4.828 ( 0.000 -4.647 -12.426) 13.266 4.828 ( 0.000 4.647 -12.426) 13.266 5.188 ( 0.000 -10.101 -6.062) 11.781 5.188 ( 0.000 10.101 -6.062) 11.781 5.345 ( 0.000 -12.772 18.748) 22.685 5.345 ( 0.000 12.772 18.748) 22.685 5.746 ( 0.000 -7.185 -5.889) 9.290 5.746 ( 0.000 7.185 -5.889) 9.290 5.912 ( 0.000 -6.768 8.572) 10.922 5.912 ( 0.000 6.768 8.572) 10.922 6.255 ( 0.000 -0.085 10.682) 10.682 6.255 ( 0.000 0.085 10.682) 10.682 6.648 ( 0.000 -19.790 1.507) 19.847 6.648 ( 0.000 19.790 1.507) 19.847 7.086 ( 0.000 -2.383 -5.669) 6.149 7.086 ( 0.000 2.383 -5.669) 6.149 7.272 ( 0.000 -2.500 -1.954) 3.174 7.272 ( 0.000 2.500 -1.954) 3.174 7.445 ( 0.000 -5.986 0.170) 5.989 7.445 ( 0.000 5.986 0.170) 5.989 7.537 ( 0.000 -7.973 16.028) 17.902 7.537 ( 0.000 7.973 16.028) 17.902 8.040 ( 0.000 -9.161 2.184) 9.418 8.040 ( 0.000 9.161 2.184) 9.418 8.289 ( 0.000 -5.943 5.382) 8.018 8.289 ( 0.000 5.943 5.382) 8.018 8.376 ( 0.000 -4.446 7.863) 9.033 8.376 ( 0.000 4.446 7.863) 9.033 8.545 ( 0.000 -8.867 -0.754) 8.899 8.545 ( 0.000 8.867 -0.754) 8.899 8.751 ( 0.000 -6.703 -2.273) 7.078 8.751 ( 0.000 6.703 -2.273) 7.078 9.520 ( 0.000 -6.183 4.380) 7.578 9.520 ( 0.000 6.183 4.380) 7.578 9.893 ( 0.000 -0.575 -14.977) 14.989 9.893 ( 0.000 0.575 -14.977) 14.989 10.650 ( 0.000 -3.858 -21.284) 21.631 10.650 ( 0.000 3.858 -21.284) 21.631 11.146 ( 0.000 -2.586 -2.774) 3.792 11.146 ( 0.000 2.586 -2.774) 3.792 11.545 ( 0.000 -4.939 0.795) 5.003 11.545 ( 0.000 4.939 0.795) 5.003 12.336 ( 0.000 -14.722 4.628) 15.432 12.336 ( 0.000 14.722 4.628) 15.432 12.642 ( 0.000 -10.691 -7.408) 13.006 12.642 ( 0.000 10.691 -7.408) 13.006 12.804 ( 0.000 -0.445 -0.044) 0.447 12.804 ( 0.000 0.445 -0.044) 0.447 13.294 ( 0.000 -3.137 3.398) 4.625 13.294 ( 0.000 3.137 3.398) 4.625 13.749 ( 0.000 -1.825 3.848) 4.258 13.749 ( 0.000 1.825 3.848) 4.258 13.848 ( 0.000 -0.707 -4.162) 4.222 13.848 ( 0.000 0.707 -4.162) 4.222 14.149 ( 0.000 -0.247 17.734) 17.736 14.149 ( 0.000 0.247 17.734) 17.736 14.739 ( 0.000 -3.394 8.536) 9.186 14.739 ( 0.000 3.394 8.536) 9.186 15.202 ( 0.000 -4.290 -8.464) 9.489 15.202 ( 0.000 4.290 -8.464) 9.489 15.462 ( 0.000 -6.243 3.406) 7.111 15.462 ( 0.000 6.243 3.406) 7.111 15.946 ( 0.000 -6.096 -4.321) 7.472 15.946 ( 0.000 6.096 -4.321) 7.472 16.161 ( 0.000 -13.408 1.653) 13.510 16.161 ( 0.000 13.408 1.653) 13.510 16.575 ( 0.000 -13.836 -2.145) 14.001 16.575 ( 0.000 13.836 -2.145) 14.001 17.132 ( 0.000 -14.828 0.790) 14.849 17.132 ( 0.000 14.828 0.790) 14.849 18.016 ( 0.000 -1.018 12.908) 12.948 18.016 ( 0.000 1.018 12.908) 12.948 18.802 ( 0.000 -2.359 -0.026) 2.359 18.802 ( 0.000 2.359 -0.026) 2.359 19.306 ( 0.000 -5.759 12.194) 13.486 19.306 ( 0.000 5.759 12.194) 13.486 19.470 ( 0.000 -4.917 -1.395) 5.111 19.470 ( 0.000 4.917 -1.395) 5.111 20.679 ( 0.000 -3.353 -8.646) 9.274 20.679 ( 0.000 3.353 -8.646) 9.274 20.942 ( 0.000 -13.475 -5.249) 14.461 20.942 ( 0.000 13.475 -5.249) 14.461 21.527 ( 0.000 -0.356 5.136) 5.148 21.527 ( 0.000 0.356 5.136) 5.148 21.918 ( 0.000 -2.406 -7.172) 7.565 21.918 ( 0.000 2.406 -7.172) 7.565 22.779 ( 0.000 -0.344 -2.386) 2.410 22.779 ( 0.000 0.344 -2.386) 2.410 ======================= Grid point 170 (62/80) ======================= q-point: ( 0.14 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.981 ( 1.889 -14.959 23.297) 27.751 2.981 ( 1.889 14.959 23.297) 27.751 3.726 ( 4.079 -23.545 15.624) 28.550 3.726 ( 4.079 23.545 15.624) 28.550 4.372 ( -5.042 -4.902 -12.077) 13.975 4.372 ( -5.042 4.902 -12.077) 13.975 4.426 ( -7.980 -11.390 1.857) 14.031 4.426 ( -7.980 11.390 1.857) 14.031 4.817 ( -3.012 -2.020 -6.030) 7.037 4.817 ( -3.012 2.020 -6.030) 7.037 5.214 ( 2.646 -4.718 -8.332) 9.934 5.214 ( 2.646 4.718 -8.332) 9.934 5.358 ( 0.956 -10.292 14.564) 17.859 5.358 ( 0.956 10.292 14.564) 17.859 5.575 ( -9.146 -4.848 -0.587) 10.368 5.575 ( -9.146 4.848 -0.587) 10.368 6.076 ( 8.122 -5.606 2.509) 10.183 6.076 ( 8.122 5.606 2.509) 10.183 6.296 ( 4.650 -3.542 15.509) 16.574 6.296 ( 4.650 3.542 15.509) 16.574 6.681 ( 4.060 -14.599 2.206) 15.313 6.681 ( 4.060 14.599 2.206) 15.313 7.040 ( -3.128 -1.847 -5.704) 6.762 7.040 ( -3.128 1.847 -5.704) 6.762 7.262 ( -1.647 -9.163 0.746) 9.340 7.262 ( -1.647 9.163 0.746) 9.340 7.493 ( 3.214 -12.699 -1.926) 13.240 7.493 ( 3.214 12.699 -1.926) 13.240 7.595 ( 5.786 -5.882 15.494) 17.554 7.595 ( 5.786 5.882 15.494) 17.554 7.968 ( -6.378 -8.847 3.140) 11.349 7.968 ( -6.378 8.847 3.140) 11.349 8.287 ( -0.623 -8.336 5.671) 10.101 8.287 ( -0.623 8.336 5.671) 10.101 8.390 ( 0.237 -4.352 7.875) 9.000 8.390 ( 0.237 4.352 7.875) 9.000 8.527 ( -0.390 -4.277 -1.170) 4.451 8.527 ( -0.390 4.277 -1.170) 4.451 8.784 ( 3.267 -6.991 -2.744) 8.190 8.784 ( 3.267 6.991 -2.744) 8.190 9.491 ( -2.660 -5.611 2.252) 6.606 9.491 ( -2.660 5.611 2.252) 6.606 9.959 ( 6.233 -3.826 -14.410) 16.160 9.959 ( 6.233 3.826 -14.410) 16.160 10.575 ( -7.120 -9.993 -18.943) 22.569 10.575 ( -7.120 9.993 -18.943) 22.569 11.005 ( -10.381 -10.434 -3.339) 15.093 11.005 ( -10.381 10.434 -3.339) 15.093 11.715 ( 13.039 -8.497 -0.587) 15.574 11.715 ( 13.039 8.497 -0.587) 15.574 12.338 ( 0.278 -13.735 4.068) 14.327 12.338 ( 0.278 13.735 4.068) 14.327 12.635 ( -0.719 -10.633 -6.309) 12.385 12.635 ( -0.719 10.633 -6.309) 12.385 12.777 ( -2.683 -0.773 -0.566) 2.849 12.777 ( -2.683 0.773 -0.566) 2.849 13.336 ( 4.091 -3.733 4.320) 7.023 13.336 ( 4.091 3.733 4.320) 7.023 13.722 ( -2.228 -1.567 4.719) 5.449 13.722 ( -2.228 1.567 4.719) 5.449 13.859 ( 0.797 -5.206 -4.348) 6.829 13.859 ( 0.797 5.206 -4.348) 6.829 14.173 ( 2.184 -0.511 16.562) 16.714 14.173 ( 2.184 0.511 16.562) 16.714 14.749 ( 0.989 -2.521 8.038) 8.481 14.749 ( 0.989 2.521 8.038) 8.481 15.176 ( -2.280 -3.910 -7.583) 8.831 15.176 ( -2.280 3.910 -7.583) 8.831 15.474 ( 0.759 -5.614 3.975) 6.921 15.474 ( 0.759 5.614 3.975) 6.921 15.892 ( -5.888 -3.347 -5.807) 8.922 15.892 ( -5.888 3.347 -5.807) 8.922 16.026 ( -9.721 -10.727 0.434) 14.483 16.026 ( -9.721 10.727 0.434) 14.483 16.675 ( 7.298 -7.835 -0.771) 10.736 16.675 ( 7.298 7.835 -0.771) 10.736 17.224 ( 8.842 -13.391 0.212) 16.048 17.224 ( 8.842 13.391 0.212) 16.048 18.035 ( 1.540 -3.398 14.330) 14.808 18.035 ( 1.540 3.398 14.330) 14.808 18.752 ( -4.675 -3.594 -1.319) 6.042 18.752 ( -4.675 3.594 -1.319) 6.042 19.265 ( -3.698 -3.314 8.751) 10.062 19.265 ( -3.698 3.314 8.751) 10.062 19.467 ( -0.434 -5.847 2.469) 6.362 19.467 ( -0.434 5.847 2.469) 6.362 20.681 ( 0.226 -2.586 -8.379) 8.772 20.681 ( 0.226 2.586 -8.379) 8.772 21.021 ( 7.383 -11.725 -4.499) 14.567 21.021 ( 7.383 11.725 -4.499) 14.567 21.518 ( -0.806 -1.021 5.051) 5.216 21.518 ( -0.806 1.021 5.051) 5.216 21.891 ( -2.706 -1.672 -7.142) 7.818 21.891 ( -2.706 1.672 -7.142) 7.818 22.761 ( -1.744 -0.695 -2.797) 3.368 22.761 ( -1.744 0.695 -2.797) 3.368 ======================= Grid point 172 (63/80) ======================= q-point: ( 0.29 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.037 ( 3.696 -10.900 16.019) 19.725 3.037 ( 3.696 10.900 16.019) 19.725 3.825 ( 5.490 -19.536 11.559) 23.354 3.825 ( 5.490 19.536 11.559) 23.354 4.208 ( -10.415 -6.385 -4.794) 13.124 4.208 ( -10.415 6.385 -4.794) 13.124 4.320 ( -2.327 -6.027 -3.539) 7.366 4.320 ( -2.327 6.027 -3.539) 7.366 4.677 ( -10.441 -4.389 2.015) 11.504 4.677 ( -10.441 4.389 2.015) 11.504 5.258 ( 0.773 -4.511 -13.966) 14.697 5.258 ( 0.773 4.511 -13.966) 14.697 5.356 ( -1.455 -8.397 3.279) 9.131 5.356 ( -1.455 8.397 3.279) 9.131 5.523 ( 4.494 -5.287 7.130) 9.949 5.523 ( 4.494 5.287 7.130) 9.949 6.105 ( -3.714 -4.501 8.644) 10.430 6.105 ( -3.714 4.501 8.644) 10.430 6.462 ( 10.042 -3.834 13.185) 17.011 6.462 ( 10.042 3.834 13.185) 17.011 6.810 ( 8.407 -5.681 5.130) 11.370 6.810 ( 8.407 5.681 5.130) 11.370 7.008 ( 0.271 -3.475 -3.761) 5.128 7.008 ( 0.271 3.475 -3.761) 5.128 7.211 ( -3.088 -8.224 3.228) 9.359 7.211 ( -3.088 8.224 3.228) 9.359 7.515 ( -1.652 -9.086 -2.486) 9.564 7.515 ( -1.652 9.086 -2.486) 9.564 7.720 ( 5.463 -9.251 12.424) 16.425 7.720 ( 5.463 9.251 12.424) 16.425 7.844 ( -4.600 -14.432 5.372) 16.071 7.844 ( -4.600 14.432 5.372) 16.071 8.224 ( -6.562 -10.901 5.595) 13.899 8.224 ( -6.562 10.901 5.595) 13.899 8.379 ( 0.152 -4.558 4.989) 6.759 8.379 ( 0.152 4.558 4.989) 6.759 8.562 ( 2.852 -2.685 1.975) 4.387 8.562 ( 2.852 2.685 1.975) 4.387 8.876 ( 6.148 -7.305 -3.840) 10.291 8.876 ( 6.148 7.305 -3.840) 10.291 9.428 ( -3.686 -4.510 -1.206) 5.948 9.428 ( -3.686 4.510 -1.206) 5.948 10.108 ( 8.082 -6.233 -15.179) 18.291 10.108 ( 8.082 6.233 -15.179) 18.291 10.419 ( -7.150 -10.246 -12.801) 17.888 10.419 ( -7.150 10.246 -12.801) 17.888 10.800 ( -10.594 -12.158 -7.116) 17.626 10.800 ( -10.594 12.158 -7.116) 17.626 11.968 ( 12.105 -8.634 -1.314) 14.927 11.968 ( 12.105 8.634 -1.314) 14.927 12.343 ( -0.029 -10.436 2.948) 10.845 12.343 ( -0.029 10.436 2.948) 10.845 12.617 ( -1.058 -10.033 -3.923) 10.825 12.617 ( -1.058 10.033 -3.923) 10.825 12.706 ( -4.163 -2.098 -1.672) 4.953 12.706 ( -4.163 2.098 -1.672) 4.953 13.435 ( 5.399 -3.976 7.339) 9.940 13.435 ( 5.399 3.976 7.339) 9.940 13.677 ( -2.165 -0.775 4.782) 5.306 13.677 ( -2.165 0.775 4.782) 5.306 13.874 ( 0.743 -4.514 -4.445) 6.379 13.874 ( 0.743 4.514 -4.445) 6.379 14.220 ( 2.349 -0.823 14.322) 14.536 14.220 ( 2.349 0.823 14.322) 14.536 14.780 ( 2.247 -0.801 7.481) 7.852 14.780 ( 2.247 0.801 7.481) 7.852 15.125 ( -2.782 -3.012 -6.240) 7.466 15.125 ( -2.782 3.012 -6.240) 7.466 15.459 ( -3.282 -3.883 4.195) 6.591 15.459 ( -3.282 3.883 4.195) 6.591 15.738 ( -6.842 -2.762 -3.070) 7.991 15.738 ( -6.842 2.762 -3.070) 7.991 15.885 ( -5.064 -7.184 -5.472) 10.353 15.885 ( -5.064 7.184 -5.472) 10.353 16.801 ( 5.229 -4.034 0.338) 6.612 16.801 ( 5.229 4.034 0.338) 6.612 17.446 ( 13.119 -12.701 -0.349) 18.263 17.446 ( 13.119 12.701 -0.349) 18.263 18.046 ( -1.512 -8.078 15.162) 17.246 18.046 ( -1.512 8.078 15.162) 17.246 18.647 ( -5.158 -7.569 -0.855) 9.199 18.647 ( -5.158 7.569 -0.855) 9.199 19.189 ( -3.423 -6.500 3.686) 8.219 19.189 ( -3.423 6.500 3.686) 8.219 19.449 ( -1.319 -6.219 7.163) 9.577 19.449 ( -1.319 6.219 7.163) 9.577 20.687 ( 0.329 -1.364 -8.156) 8.276 20.687 ( 0.329 1.364 -8.156) 8.276 21.189 ( 8.510 -7.142 -1.457) 11.205 21.189 ( 8.510 7.142 -1.457) 11.205 21.507 ( 0.277 -2.033 3.834) 4.348 21.507 ( 0.277 2.033 3.834) 4.348 21.821 ( -4.286 -0.321 -7.145) 8.338 21.821 ( -4.286 0.321 -7.145) 8.338 22.717 ( -2.456 -0.965 -3.815) 4.638 22.717 ( -2.456 0.965 -3.815) 4.638 ======================= Grid point 174 (64/80) ======================= q-point: ( 0.43 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.105 ( 2.467 -4.194 8.271) 9.597 3.105 ( 2.467 4.194 8.271) 9.597 3.919 ( 3.726 -10.967 4.901) 12.577 3.919 ( 3.726 10.967 4.901) 12.577 4.032 ( -6.442 -6.216 1.296) 9.045 4.032 ( -6.442 6.216 1.296) 9.045 4.333 ( 3.856 -3.633 -1.024) 5.395 4.333 ( 3.856 3.633 -1.024) 5.395 4.468 ( -9.613 -5.066 2.870) 11.239 4.468 ( -9.613 5.066 2.870) 11.239 5.248 ( -0.843 -1.351 -2.065) 2.608 5.248 ( -0.843 1.351 -2.065) 2.608 5.342 ( -0.028 -1.762 -13.152) 13.270 5.342 ( -0.028 1.762 -13.152) 13.270 5.647 ( 5.465 -3.651 6.838) 9.485 5.647 ( 5.465 3.651 6.838) 9.485 6.011 ( -4.238 -4.260 13.676) 14.938 6.011 ( -4.238 4.260 13.676) 14.938 6.606 ( 3.889 -0.862 11.804) 12.458 6.606 ( 3.889 0.862 11.804) 12.458 6.949 ( 4.189 -4.047 6.927) 9.050 6.949 ( 4.189 4.047 6.927) 9.050 7.055 ( 4.200 -5.195 -1.482) 6.843 7.055 ( 4.200 5.195 -1.482) 6.843 7.149 ( -3.738 -5.747 3.765) 7.822 7.149 ( -3.738 5.747 3.765) 7.822 7.466 ( -1.277 -5.030 1.280) 5.345 7.466 ( -1.277 5.030 1.280) 5.345 7.721 ( -2.891 -1.947 2.451) 4.261 7.721 ( -2.891 1.947 2.451) 4.261 7.871 ( 4.472 -7.506 12.137) 14.955 7.871 ( 4.472 7.506 12.137) 14.955 8.077 ( -6.550 -3.016 4.844) 8.687 8.077 ( -6.550 3.016 4.844) 8.687 8.393 ( 0.636 -1.337 4.221) 4.473 8.393 ( 0.636 1.337 4.221) 4.473 8.603 ( 1.077 -1.624 3.620) 4.111 8.603 ( 1.077 1.624 3.620) 4.111 8.999 ( 4.869 -4.031 -4.409) 7.707 8.999 ( 4.869 4.031 -4.409) 7.707 9.357 ( -2.916 -2.354 -4.190) 5.621 9.357 ( -2.916 2.354 -4.190) 5.621 10.196 ( -0.159 -6.245 -13.382) 14.768 10.196 ( -0.159 6.245 -13.382) 14.768 10.400 ( 6.733 -9.913 -11.368) 16.517 10.400 ( 6.733 9.913 -11.368) 16.517 10.592 ( -10.475 -10.776 -9.448) 17.752 10.592 ( -10.475 10.776 -9.448) 17.752 12.166 ( 7.401 -5.644 -2.075) 9.536 12.166 ( 7.401 5.644 -2.075) 9.536 12.323 ( -2.209 -3.823 2.814) 5.235 12.323 ( -2.209 3.823 2.813) 5.235 12.599 ( -0.601 -7.064 -0.794) 7.133 12.599 ( -0.601 7.064 -0.794) 7.133 12.637 ( -2.279 -4.601 -3.841) 6.412 12.637 ( -2.279 4.601 -3.841) 6.412 13.521 ( 2.780 -2.257 13.274) 13.748 13.521 ( 2.780 2.257 13.274) 13.748 13.642 ( -1.236 -1.207 1.013) 2.003 13.642 ( -1.236 1.207 1.013) 2.003 13.888 ( 0.506 -1.529 -4.738) 5.004 13.888 ( 0.506 1.529 -4.738) 5.004 14.254 ( 0.919 -0.442 12.840) 12.880 14.254 ( 0.919 0.442 12.840) 12.880 14.830 ( 2.294 -1.103 8.892) 9.249 14.830 ( 2.294 1.103 8.892) 9.249 15.072 ( -2.302 -1.824 -5.926) 6.614 15.072 ( -2.302 1.824 -5.926) 6.614 15.367 ( -3.812 -1.266 -1.774) 4.391 15.367 ( -3.812 1.266 -1.774) 4.391 15.678 ( -0.521 -1.290 8.348) 8.463 15.678 ( -0.521 1.290 8.348) 8.463 15.813 ( -2.122 -2.471 -13.916) 14.292 15.813 ( -2.122 2.471 -13.916) 14.292 16.871 ( 1.842 -1.494 0.644) 2.458 16.871 ( 1.842 1.494 0.644) 2.458 17.706 ( 12.585 -12.063 0.877) 17.455 17.706 ( 12.585 12.063 0.877) 17.455 17.947 ( -8.333 -11.063 9.560) 16.829 17.947 ( -8.333 11.063 9.560) 16.829 18.579 ( -1.583 -5.195 6.175) 8.224 18.579 ( -1.583 5.195 6.175) 8.224 19.145 ( -1.071 -4.679 -1.008) 4.904 19.145 ( -1.071 4.679 -1.008) 4.904 19.424 ( -0.912 -3.065 9.821) 10.329 19.424 ( -0.912 3.065 9.821) 10.329 20.692 ( 0.151 -0.409 -8.123) 8.135 20.692 ( 0.151 0.409 -8.123) 8.135 21.302 ( 2.531 -1.833 3.809) 4.927 21.302 ( 2.531 1.833 3.809) 4.927 21.551 ( 3.640 -2.397 1.217) 4.524 21.551 ( 3.640 2.397 1.217) 4.524 21.732 ( -4.180 -1.025 -8.217) 9.276 21.732 ( -4.180 1.025 -8.217) 9.276 22.678 ( -1.218 -0.487 -4.766) 4.944 22.678 ( -1.218 0.487 -4.766) 4.944 ======================= Grid point 196 (65/80) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.888 ( 0.000 0.000 22.827) 22.827 2.890 ( 0.000 0.000 33.105) 33.105 3.424 ( 0.000 0.000 0.039) 0.039 3.505 ( 0.000 0.000 -26.485) 26.485 4.029 ( 0.000 0.000 8.394) 8.394 4.110 ( 0.000 0.000 -17.566) 17.566 4.415 ( 0.000 0.000 -13.847) 13.847 4.438 ( 0.000 0.000 -3.168) 3.168 5.035 ( 0.000 0.000 5.346) 5.346 5.063 ( 0.000 0.000 6.128) 6.128 5.172 ( 0.000 0.000 2.847) 2.847 5.217 ( 0.000 0.000 30.177) 30.177 5.441 ( 0.000 0.000 -5.257) 5.257 5.575 ( 0.000 0.000 -11.060) 11.060 5.804 ( 0.000 0.000 1.054) 1.054 5.968 ( 0.000 0.000 6.380) 6.380 6.089 ( 0.000 0.000 4.961) 4.961 6.313 ( 0.000 0.000 -1.048) 1.048 6.352 ( 0.000 0.000 -5.080) 5.080 6.358 ( 0.000 0.000 -3.067) 3.067 6.598 ( 0.000 0.000 5.949) 5.949 6.647 ( 0.000 0.000 11.831) 11.831 6.869 ( 0.000 0.000 -10.918) 10.918 6.912 ( 0.000 0.000 2.315) 2.315 7.075 ( 0.000 0.000 4.783) 4.783 7.193 ( 0.000 0.000 -6.234) 6.234 7.337 ( 0.000 0.000 5.717) 5.717 7.391 ( 0.000 0.000 2.375) 2.375 7.714 ( 0.000 0.000 2.747) 2.747 7.866 ( 0.000 0.000 0.828) 0.828 7.921 ( 0.000 0.000 11.680) 11.680 7.968 ( 0.000 0.000 10.442) 10.442 7.982 ( 0.000 0.000 0.577) 0.577 8.230 ( 0.000 0.000 -7.184) 7.184 8.302 ( 0.000 0.000 -17.878) 17.878 8.672 ( 0.000 0.000 0.251) 0.251 8.769 ( 0.000 0.000 7.975) 7.975 9.206 ( 0.000 0.000 15.223) 15.223 9.213 ( 0.000 0.000 1.221) 1.221 9.329 ( 0.000 0.000 0.906) 0.906 9.467 ( 0.000 0.000 2.787) 2.787 9.534 ( 0.000 0.000 -12.110) 12.110 9.764 ( 0.000 0.000 0.227) 0.227 9.861 ( 0.000 0.000 -8.213) 8.213 9.994 ( 0.000 0.000 -20.714) 20.714 10.285 ( 0.000 0.000 -6.295) 6.295 10.432 ( 0.000 0.000 -3.972) 3.972 10.807 ( 0.000 0.000 1.448) 1.448 11.450 ( 0.000 0.000 0.852) 0.852 12.040 ( 0.000 0.000 5.599) 5.599 12.112 ( 0.000 0.000 8.765) 8.765 12.215 ( 0.000 0.000 -2.689) 2.689 12.348 ( 0.000 0.000 -14.451) 14.451 12.518 ( 0.000 0.000 -0.963) 0.963 12.749 ( 0.000 0.000 1.679) 1.679 12.865 ( 0.000 0.000 1.796) 1.796 13.267 ( 0.000 0.000 0.884) 0.884 13.314 ( 0.000 0.000 -3.496) 3.496 13.525 ( 0.000 0.000 3.429) 3.429 13.639 ( 0.000 0.000 -2.975) 2.975 13.653 ( 0.000 0.000 3.635) 3.635 14.438 ( 0.000 0.000 -2.200) 2.200 14.481 ( 0.000 0.000 20.684) 20.684 14.491 ( 0.000 0.000 17.471) 17.471 14.810 ( 0.000 0.000 -10.462) 10.462 14.969 ( 0.000 0.000 -15.810) 15.810 15.051 ( 0.000 0.000 -3.227) 3.227 15.494 ( 0.000 0.000 4.928) 4.928 15.543 ( 0.000 0.000 -0.611) 0.611 15.627 ( 0.000 0.000 1.222) 1.222 15.675 ( 0.000 0.000 -1.292) 1.292 15.716 ( 0.000 0.000 0.586) 0.586 15.950 ( 0.000 0.000 -0.524) 0.524 16.436 ( 0.000 0.000 5.166) 5.166 16.488 ( 0.000 0.000 5.180) 5.180 16.864 ( 0.000 0.000 -1.829) 1.829 17.106 ( 0.000 0.000 4.716) 4.716 17.513 ( 0.000 0.000 1.205) 1.205 17.777 ( 0.000 0.000 6.726) 6.726 18.240 ( 0.000 0.000 -3.810) 3.810 18.372 ( 0.000 0.000 -9.683) 9.683 18.466 ( 0.000 0.000 -2.444) 2.444 19.171 ( 0.000 0.000 1.781) 1.781 19.626 ( 0.000 0.000 12.107) 12.107 19.850 ( 0.000 0.000 -10.560) 10.560 20.421 ( 0.000 0.000 3.048) 3.048 20.472 ( 0.000 0.000 2.270) 2.270 20.581 ( 0.000 0.000 -1.843) 1.843 20.953 ( 0.000 0.000 0.777) 0.777 21.070 ( 0.000 0.000 7.981) 7.981 21.446 ( 0.000 0.000 -2.025) 2.025 21.589 ( 0.000 0.000 -7.018) 7.018 21.609 ( 0.000 0.000 0.422) 0.422 21.687 ( 0.000 0.000 -1.882) 1.882 22.626 ( 0.000 0.000 -1.354) 1.354 22.712 ( 0.000 0.000 -0.740) 0.740 ======================= Grid point 197 (66/80) ======================= q-point: ( 0.14 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.902 ( 0.642 0.000 31.083) 31.090 2.906 ( 1.213 0.000 17.788) 17.829 3.421 ( 0.002 0.000 4.922) 4.922 3.461 ( -3.326 0.000 -25.839) 26.053 3.988 ( -3.893 0.000 9.407) 10.181 4.067 ( -3.872 0.000 -18.950) 19.341 4.402 ( -1.224 0.000 -14.057) 14.110 4.437 ( -0.013 0.000 -1.986) 1.986 4.899 ( -10.697 0.000 5.561) 12.056 5.076 ( 1.238 0.000 0.370) 1.292 5.166 ( -0.624 0.000 3.468) 3.524 5.315 ( 8.393 0.000 27.193) 28.459 5.528 ( 5.882 0.000 1.692) 6.120 5.672 ( 8.926 0.000 -11.786) 14.785 5.757 ( -4.978 0.000 0.767) 5.036 5.908 ( -5.844 0.000 9.628) 11.263 5.980 ( -6.480 0.000 0.893) 6.541 6.111 ( -13.106 0.000 -7.176) 14.942 6.300 ( -0.949 0.000 2.366) 2.549 6.454 ( 7.732 0.000 -4.706) 9.051 6.751 ( 8.864 0.000 12.668) 15.461 6.789 ( 6.618 0.000 2.331) 7.016 6.891 ( 5.005 0.000 6.065) 7.863 7.012 ( 4.469 0.000 -2.420) 5.082 7.109 ( 3.253 0.000 3.588) 4.843 7.187 ( 3.447 0.000 -10.725) 11.265 7.325 ( -1.087 0.000 1.979) 2.258 7.406 ( 1.457 0.000 3.194) 3.510 7.770 ( 4.161 0.000 0.691) 4.218 7.796 ( -6.951 0.000 8.554) 11.022 7.875 ( -4.079 0.000 19.454) 19.877 7.926 ( -3.030 0.000 8.035) 8.587 7.967 ( -1.295 0.000 -6.371) 6.501 8.222 ( -0.767 0.000 -7.790) 7.828 8.324 ( 2.134 0.000 -17.205) 17.337 8.649 ( -2.419 0.000 1.265) 2.730 8.735 ( -3.398 0.000 6.874) 7.668 9.017 ( -12.883 0.000 5.581) 14.040 9.263 ( 4.134 0.000 3.019) 5.119 9.374 ( -2.510 0.000 4.457) 5.115 9.460 ( -4.287 0.000 -14.079) 14.717 9.525 ( 7.513 0.000 2.616) 7.955 9.859 ( 7.136 0.000 -0.838) 7.185 9.925 ( 5.579 0.000 -4.923) 7.441 9.999 ( 0.821 0.000 -19.393) 19.410 10.332 ( 4.393 0.000 -6.162) 7.568 10.414 ( -1.717 0.000 -3.809) 4.178 10.851 ( 3.748 0.000 0.575) 3.792 11.354 ( -7.874 0.000 1.110) 7.952 12.054 ( 0.762 0.000 5.850) 5.899 12.141 ( 1.311 0.000 5.221) 5.383 12.231 ( 1.907 0.000 -1.571) 2.471 12.346 ( -13.361 0.000 -3.196) 13.738 12.401 ( 5.815 0.000 -10.199) 11.740 12.831 ( 4.729 0.000 2.066) 5.160 12.844 ( -2.269 0.000 1.454) 2.695 13.286 ( 1.860 0.000 0.935) 2.082 13.293 ( -1.039 0.000 -2.175) 2.410 13.603 ( 6.567 0.000 2.508) 7.029 13.652 ( 1.509 0.000 -2.029) 2.529 13.706 ( 5.022 0.000 2.712) 5.707 14.356 ( -7.382 0.000 -1.549) 7.543 14.488 ( 0.725 0.000 20.190) 20.203 14.498 ( 0.364 0.000 17.058) 17.062 14.804 ( -0.550 0.000 -10.836) 10.850 14.987 ( 0.826 0.000 -17.032) 17.052 15.053 ( 1.005 0.000 -1.240) 1.596 15.416 ( -6.380 0.000 3.425) 7.241 15.446 ( -14.741 0.000 -1.056) 14.778 15.501 ( -3.031 0.000 -1.200) 3.260 15.668 ( -2.326 0.000 0.304) 2.345 15.806 ( 7.611 0.000 1.661) 7.790 16.002 ( -2.558 0.000 1.332) 2.884 16.289 ( -4.832 0.000 3.791) 6.142 16.471 ( -1.633 0.000 6.048) 6.265 16.885 ( 2.027 0.000 -3.590) 4.122 17.206 ( 6.030 0.000 7.176) 9.373 17.740 ( -3.593 0.000 9.020) 9.709 17.759 ( 20.963 0.000 4.176) 21.375 17.961 ( -18.704 0.000 -12.586) 22.544 18.284 ( 4.667 0.000 -3.927) 6.099 18.792 ( 12.096 0.000 -4.239) 12.817 19.124 ( -4.783 0.000 1.202) 4.932 19.620 ( -1.832 0.000 11.970) 12.109 19.930 ( 9.060 0.000 -10.744) 14.054 20.429 ( 0.793 0.000 3.017) 3.119 20.476 ( 0.347 0.000 2.230) 2.256 20.577 ( -0.532 0.000 -2.006) 2.075 20.982 ( 3.031 0.000 1.029) 3.200 21.060 ( -0.930 0.000 7.634) 7.690 21.449 ( 0.094 0.000 -1.865) 1.868 21.520 ( -8.460 0.000 0.792) 8.497 21.591 ( 0.185 0.000 -6.538) 6.540 21.677 ( -0.981 0.000 -1.953) 2.185 22.618 ( -0.861 0.000 -1.494) 1.724 22.691 ( -2.024 0.000 -0.884) 2.208 ======================= Grid point 198 (67/80) ======================= q-point: ( 0.29 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.884 ( -2.724 0.000 19.001) 19.196 2.901 ( -2.191 0.000 6.045) 6.430 3.441 ( 2.391 0.000 -17.580) 17.742 3.447 ( 3.173 0.000 13.740) 14.101 3.892 ( -5.548 0.000 12.845) 13.992 3.977 ( -5.447 0.000 -14.754) 15.728 4.371 ( -1.802 0.000 -15.436) 15.541 4.416 ( -3.125 0.000 -3.869) 4.973 4.742 ( -2.684 0.000 1.680) 3.166 5.109 ( 2.415 0.000 -0.270) 2.431 5.125 ( -4.432 0.000 3.122) 5.421 5.428 ( -0.596 0.000 14.619) 14.631 5.624 ( 2.926 0.000 4.077) 5.019 5.674 ( -2.830 0.000 4.193) 5.059 5.711 ( -7.831 0.000 2.446) 8.204 5.742 ( -2.499 0.000 -6.033) 6.530 6.044 ( 13.526 0.000 -3.384) 13.943 6.051 ( 4.387 0.000 4.514) 6.294 6.282 ( -0.772 0.000 3.922) 3.997 6.631 ( 10.397 0.000 -3.162) 10.867 6.749 ( -5.958 0.000 1.025) 6.046 6.925 ( 8.149 0.000 13.200) 15.513 6.978 ( -2.173 0.000 0.234) 2.186 7.097 ( 8.166 0.000 10.333) 13.171 7.187 ( 3.941 0.000 1.570) 4.242 7.285 ( -2.553 0.000 -2.475) 3.556 7.320 ( 4.136 0.000 -13.056) 13.695 7.436 ( 0.799 0.000 4.161) 4.237 7.617 ( -9.828 0.000 14.796) 17.763 7.722 ( -7.023 0.000 19.808) 21.016 7.903 ( 3.922 0.000 9.195) 9.997 7.923 ( 5.724 0.000 3.367) 6.641 7.941 ( -1.145 0.000 -9.501) 9.570 8.211 ( 0.455 0.000 -7.847) 7.860 8.384 ( 3.996 0.000 -14.880) 15.407 8.569 ( -6.308 0.000 4.387) 7.684 8.642 ( -6.193 0.000 4.306) 7.543 8.761 ( -12.412 0.000 -1.720) 12.531 9.282 ( -2.366 0.000 -3.616) 4.321 9.301 ( -3.750 0.000 -2.482) 4.497 9.486 ( 6.780 0.000 -8.848) 11.147 9.659 ( 4.866 0.000 1.249) 5.023 9.990 ( 5.693 0.000 -1.813) 5.975 10.030 ( 3.359 0.000 -7.263) 8.001 10.053 ( 6.073 0.000 -7.470) 9.628 10.369 ( -2.793 0.000 -3.192) 4.241 10.441 ( 6.515 0.000 -5.283) 8.388 10.888 ( -2.489 0.000 -0.311) 2.508 11.247 ( 0.064 0.000 0.277) 0.284 11.975 ( -13.346 0.000 4.694) 14.147 12.127 ( -3.464 0.000 -4.982) 6.068 12.140 ( -0.953 0.000 -0.006) 0.953 12.317 ( 6.388 0.000 0.051) 6.388 12.552 ( 8.380 0.000 -2.590) 8.771 12.774 ( -4.718 0.000 0.255) 4.725 12.883 ( 0.390 0.000 1.905) 1.944 13.296 ( 1.355 0.000 -0.749) 1.548 13.329 ( 2.216 0.000 1.362) 2.601 13.704 ( 4.034 0.000 -1.217) 4.213 13.741 ( 6.911 0.000 2.191) 7.250 13.826 ( 6.372 0.000 1.517) 6.550 14.180 ( -9.990 0.000 -2.077) 10.204 14.506 ( 0.559 0.000 17.752) 17.761 14.508 ( 1.327 0.000 19.320) 19.366 14.797 ( 0.185 0.000 -11.309) 11.311 14.963 ( -2.953 0.000 -12.387) 12.734 15.113 ( 1.506 0.000 -1.873) 2.403 15.152 ( -10.069 0.000 -3.974) 10.825 15.284 ( -7.183 0.000 2.868) 7.734 15.437 ( -3.739 0.000 -3.111) 4.864 15.599 ( -4.220 0.000 -0.026) 4.220 15.737 ( -16.283 0.000 1.326) 16.337 15.973 ( 8.905 0.000 2.786) 9.330 16.418 ( -4.077 0.000 6.190) 7.412 16.433 ( 12.870 0.000 7.041) 14.670 16.949 ( 4.733 0.000 -8.163) 9.436 17.149 ( -11.387 0.000 18.406) 21.644 17.554 ( -12.730 0.000 -18.261) 22.260 17.938 ( 12.848 0.000 4.804) 13.717 18.187 ( 19.546 0.000 10.766) 22.315 18.434 ( 11.510 0.000 -6.226) 13.086 18.889 ( -1.021 0.000 -4.536) 4.649 18.997 ( -7.305 0.000 -0.354) 7.314 19.519 ( -8.842 0.000 9.032) 12.640 20.172 ( 13.421 0.000 -8.170) 15.712 20.448 ( 1.056 0.000 2.928) 3.113 20.483 ( 0.280 0.000 2.100) 2.119 20.558 ( -1.545 0.000 -2.621) 3.042 21.041 ( -0.716 0.000 6.842) 6.880 21.073 ( 6.072 0.000 2.329) 6.503 21.323 ( -10.134 0.000 0.594) 10.151 21.439 ( -1.456 0.000 -1.622) 2.180 21.597 ( 0.426 0.000 -5.243) 5.260 21.651 ( -1.524 0.000 -2.069) 2.569 22.596 ( -1.191 0.000 -1.845) 2.196 22.642 ( -2.736 0.000 -1.357) 3.054 ======================= Grid point 199 (68/80) ======================= q-point: ( 0.43 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.828 ( -1.728 0.000 4.993) 5.284 2.841 ( -2.786 0.000 0.614) 2.853 3.534 ( 4.410 0.000 9.755) 10.705 3.534 ( 4.995 0.000 -7.798) 9.260 3.796 ( -2.902 0.000 17.342) 17.583 3.849 ( -6.956 0.000 1.654) 7.150 4.340 ( -1.050 0.000 -16.928) 16.960 4.347 ( -2.232 0.000 -13.302) 13.488 4.804 ( 7.438 0.000 1.342) 7.558 4.981 ( -9.536 0.000 2.366) 9.825 5.184 ( 5.521 0.000 0.321) 5.530 5.318 ( -7.679 0.000 2.923) 8.217 5.578 ( -1.332 0.000 1.761) 2.208 5.605 ( -2.964 0.000 2.517) 3.888 5.731 ( 1.721 0.000 1.766) 2.466 5.736 ( 0.942 0.000 -2.540) 2.709 6.176 ( 6.312 0.000 11.447) 13.072 6.253 ( -1.239 0.000 8.122) 8.216 6.346 ( 13.967 0.000 -1.660) 14.066 6.590 ( -10.351 0.000 0.753) 10.379 6.851 ( 11.363 0.000 -0.260) 11.366 6.972 ( 0.777 0.000 7.678) 7.718 7.061 ( 5.762 0.000 9.791) 11.361 7.149 ( -2.570 0.000 2.917) 3.887 7.173 ( -6.232 0.000 -6.240) 8.819 7.198 ( -4.590 0.000 2.883) 5.421 7.376 ( 1.563 0.000 -5.321) 5.546 7.392 ( -2.146 0.000 -1.735) 2.760 7.537 ( 1.501 0.000 18.739) 18.799 7.601 ( -4.807 0.000 24.695) 25.159 7.931 ( 0.164 0.000 -5.485) 5.487 7.937 ( 0.190 0.000 1.190) 1.205 8.132 ( 13.045 0.000 1.562) 13.138 8.282 ( 7.324 0.000 -3.242) 8.010 8.386 ( -12.138 0.000 4.392) 12.908 8.469 ( -10.647 0.000 2.081) 10.848 8.477 ( 5.332 0.000 -10.904) 12.138 8.587 ( -6.084 0.000 -8.001) 10.051 9.242 ( -1.080 0.000 -8.158) 8.230 9.247 ( -1.599 0.000 -6.944) 7.125 9.625 ( 6.042 0.000 -4.654) 7.627 9.696 ( -1.010 0.000 -3.093) 3.254 10.069 ( 2.322 0.000 -3.136) 3.902 10.079 ( 1.295 0.000 -5.657) 5.804 10.186 ( 6.890 0.000 -0.913) 6.951 10.300 ( -4.552 0.000 -1.772) 4.885 10.582 ( 7.999 0.000 -3.294) 8.651 10.753 ( -9.118 0.000 -0.831) 9.155 11.379 ( 11.734 0.000 -1.468) 11.825 11.661 ( -16.309 0.000 -0.675) 16.323 12.110 ( 0.080 0.000 -2.363) 2.364 12.120 ( -0.873 0.000 -1.745) 1.951 12.468 ( 8.424 0.000 1.924) 8.641 12.618 ( -5.556 0.000 3.681) 6.665 12.744 ( 5.335 0.000 -2.802) 6.026 12.847 ( -3.932 0.000 0.497) 3.963 13.334 ( 2.050 0.000 0.752) 2.184 13.356 ( 0.166 0.000 1.615) 1.623 13.810 ( 6.478 0.000 0.245) 6.483 13.852 ( 3.884 0.000 2.632) 4.692 13.910 ( 1.597 0.000 -0.530) 1.683 13.990 ( -8.785 0.000 -2.883) 9.246 14.522 ( 1.017 0.000 17.528) 17.557 14.532 ( 0.548 0.000 18.423) 18.431 14.820 ( 2.250 0.000 -10.283) 10.526 14.884 ( -4.283 0.000 -8.456) 9.479 14.997 ( -0.087 0.000 -3.059) 3.060 15.114 ( -9.787 0.000 1.091) 9.847 15.232 ( 5.843 0.000 -3.908) 7.029 15.344 ( -5.579 0.000 -3.304) 6.484 15.526 ( -2.642 0.000 -0.981) 2.819 15.529 ( -4.203 0.000 -0.858) 4.290 16.146 ( 8.706 0.000 3.870) 9.528 16.306 ( -7.323 0.000 5.097) 8.923 16.683 ( 11.952 0.000 15.342) 19.448 16.906 ( -11.778 0.000 19.829) 23.063 17.084 ( 9.384 0.000 -15.900) 18.462 17.305 ( -12.620 0.000 -20.112) 23.743 18.237 ( 14.854 0.000 8.935) 17.335 18.404 ( 1.210 0.000 15.294) 15.342 18.679 ( 7.477 0.000 -11.400) 13.634 18.803 ( -6.558 0.000 -7.011) 9.600 18.963 ( 10.101 0.000 2.514) 10.409 19.272 ( -16.049 0.000 6.344) 17.257 20.389 ( 8.161 0.000 -5.076) 9.611 20.465 ( 0.358 0.000 2.675) 2.699 20.485 ( -0.122 0.000 1.657) 1.662 20.511 ( -3.310 0.000 -3.824) 5.058 21.046 ( 1.625 0.000 6.196) 6.405 21.114 ( -4.671 0.000 6.972) 8.392 21.259 ( 6.113 0.000 -3.165) 6.884 21.380 ( -4.836 0.000 -1.654) 5.111 21.606 ( 0.577 0.000 -3.740) 3.784 21.623 ( -1.213 0.000 -2.600) 2.869 22.580 ( -0.167 0.000 -2.113) 2.120 22.596 ( -1.739 0.000 -1.921) 2.591 ======================= Grid point 203 (69/80) ======================= q-point: ( 0.00 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.000 ( 0.000 10.077 32.708) 34.225 3.094 ( 0.000 18.502 20.181) 27.378 3.553 ( 0.000 10.470 7.514) 12.887 3.601 ( 0.000 8.843 -26.475) 27.913 4.073 ( 0.000 4.202 6.621) 7.842 4.091 ( 0.000 -0.191 -20.466) 20.467 4.363 ( 0.000 -6.686 -5.207) 8.474 4.410 ( 0.000 -0.070 -9.294) 9.294 5.007 ( 0.000 -3.303 2.179) 3.957 5.037 ( 0.000 -2.716 6.641) 7.175 5.081 ( 0.000 -7.675 1.007) 7.740 5.307 ( 0.000 5.480 18.784) 19.567 5.565 ( 0.000 8.175 -1.053) 8.243 5.581 ( 0.000 2.372 -2.668) 3.569 5.686 ( 0.000 -7.139 -0.619) 7.166 5.872 ( 0.000 -13.522 7.527) 15.475 6.036 ( 0.000 4.051 1.242) 4.237 6.148 ( 0.000 -16.794 -2.833) 17.031 6.306 ( 0.000 0.236 0.495) 0.549 6.437 ( 0.000 5.746 -1.492) 5.937 6.567 ( 0.000 -3.487 9.424) 10.048 6.715 ( 0.000 3.797 6.070) 7.160 6.791 ( 0.000 -0.529 -10.915) 10.928 7.022 ( 0.000 3.909 5.954) 7.122 7.224 ( 0.000 13.838 -5.672) 14.955 7.267 ( 0.000 -6.778 -9.449) 11.629 7.317 ( 0.000 17.081 5.870) 18.062 7.472 ( 0.000 -17.642 1.041) 17.672 7.577 ( 0.000 2.946 16.311) 16.575 7.749 ( 0.000 8.812 3.807) 9.599 7.916 ( 0.000 -4.018 12.641) 13.264 8.102 ( 0.000 1.454 -5.209) 5.408 8.168 ( 0.000 9.158 1.834) 9.340 8.267 ( 0.000 6.673 -2.392) 7.089 8.316 ( 0.000 1.640 -10.246) 10.376 8.629 ( 0.000 -3.774 1.176) 3.953 8.770 ( 0.000 0.090 5.108) 5.109 8.876 ( 0.000 -14.878 8.057) 16.919 9.363 ( 0.000 -4.631 -0.718) 4.687 9.408 ( 0.000 -11.372 -4.142) 12.103 9.532 ( 0.000 8.443 10.572) 13.530 9.565 ( 0.000 2.846 -1.174) 3.079 9.615 ( 0.000 -18.443 1.676) 18.519 9.752 ( 0.000 -2.707 -1.848) 3.278 9.863 ( 0.000 -3.386 -9.874) 10.438 9.945 ( 0.000 1.024 -31.100) 31.116 10.920 ( 0.000 22.502 -3.654) 22.797 10.968 ( 0.000 11.403 0.819) 11.433 11.382 ( 0.000 -5.853 0.160) 5.856 11.978 ( 0.000 0.122 3.060) 3.063 12.084 ( 0.000 -8.839 6.473) 10.956 12.177 ( 0.000 -0.534 -3.028) 3.074 12.469 ( 0.000 11.498 -9.288) 14.780 12.542 ( 0.000 3.001 1.323) 3.279 12.789 ( 0.000 2.836 1.091) 3.038 13.020 ( 0.000 5.729 -1.678) 5.970 13.290 ( 0.000 3.355 1.513) 3.681 13.319 ( 0.000 1.036 -3.296) 3.455 13.460 ( 0.000 -1.817 4.085) 4.471 13.636 ( 0.000 -0.017 -3.226) 3.226 13.649 ( 0.000 -0.113 4.144) 4.146 14.249 ( 0.000 -14.109 -0.966) 14.142 14.500 ( 0.000 0.791 19.211) 19.228 14.503 ( 0.000 1.018 19.135) 19.162 14.826 ( 0.000 1.697 -12.313) 12.429 14.991 ( 0.000 -0.860 -15.871) 15.894 15.152 ( 0.000 9.333 -1.548) 9.460 15.301 ( 0.000 -11.443 0.463) 11.453 15.415 ( 0.000 -13.562 5.594) 14.671 15.573 ( 0.000 -1.639 -6.264) 6.475 15.703 ( 0.000 1.290 2.896) 3.171 15.921 ( 0.000 14.779 -0.234) 14.781 16.056 ( 0.000 6.584 2.682) 7.109 16.294 ( 0.000 -9.948 5.689) 11.459 16.617 ( 0.000 10.501 2.040) 10.697 16.729 ( 0.000 -13.126 -1.428) 13.203 17.030 ( 0.000 -7.597 1.947) 7.842 17.626 ( 0.000 11.262 2.332) 11.501 17.765 ( 0.000 -23.381 -1.785) 23.449 17.917 ( 0.000 11.755 9.742) 15.267 18.420 ( 0.000 4.823 -10.947) 11.962 18.911 ( 0.000 17.480 -3.949) 17.921 19.217 ( 0.000 4.413 2.181) 4.922 19.603 ( 0.000 -0.854 13.926) 13.952 19.874 ( 0.000 4.506 -12.327) 13.125 20.175 ( 0.000 -22.870 3.186) 23.091 20.179 ( 0.000 -20.507 2.404) 20.647 20.589 ( 0.000 0.657 -1.961) 2.068 20.914 ( 0.000 -3.270 0.306) 3.284 21.268 ( 0.000 11.733 8.805) 14.669 21.484 ( 0.000 -7.917 -7.788) 11.105 21.487 ( 0.000 3.992 1.027) 4.122 21.698 ( 0.000 0.698 -3.220) 3.295 21.723 ( 0.000 7.805 -1.719) 7.992 22.659 ( 0.000 2.770 -1.270) 3.047 22.722 ( 0.000 0.878 -0.774) 1.170 ======================= Grid point 204 (70/80) ======================= q-point: ( 0.14 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.003 ( -0.043 9.493 30.019) 31.484 3.105 ( 0.409 17.650 15.298) 23.360 3.520 ( -2.908 7.630 2.921) 8.672 3.570 ( -1.723 10.286 -16.203) 19.269 4.023 ( -4.401 3.067 9.500) 10.910 4.072 ( -1.788 2.013 -22.916) 23.074 4.314 ( -2.608 -5.154 -11.292) 12.683 4.481 ( 3.474 1.147 -3.047) 4.761 4.873 ( -9.414 -2.937 6.339) 11.723 5.030 ( -1.025 -3.727 -3.180) 5.005 5.107 ( 0.798 -5.628 4.833) 7.461 5.300 ( -2.712 -7.043 5.164) 9.145 5.545 ( 4.100 6.237 15.776) 17.453 5.719 ( 6.615 3.216 -6.176) 9.605 5.740 ( -10.310 -12.289 1.932) 16.157 5.760 ( 6.250 -1.060 2.234) 6.722 5.977 ( -3.059 4.207 2.014) 5.579 6.137 ( 0.291 -12.447 3.323) 12.886 6.236 ( -7.636 5.025 -3.862) 9.923 6.451 ( 6.385 3.416 -3.109) 7.881 6.706 ( 8.697 -3.938 11.557) 14.990 6.807 ( 8.755 -0.472 4.525) 9.866 6.914 ( 6.233 1.385 -5.883) 8.682 6.963 ( -3.151 2.015 4.905) 6.168 7.228 ( 0.731 7.313 -4.837) 8.799 7.271 ( 1.569 -2.263 -9.529) 9.919 7.348 ( -1.574 7.795 3.378) 8.640 7.447 ( 2.810 -2.473 6.278) 7.309 7.667 ( 5.602 -4.492 14.300) 16.002 7.726 ( -2.151 10.138 3.391) 10.904 7.891 ( -2.278 -0.260 13.751) 13.941 8.041 ( -4.742 5.434 1.738) 7.418 8.168 ( -0.573 5.896 -3.671) 6.969 8.249 ( -1.972 5.887 -3.673) 7.214 8.326 ( 1.492 0.832 -10.758) 10.893 8.612 ( -1.672 -3.214 2.166) 4.221 8.740 ( -2.839 0.425 4.101) 5.006 8.874 ( -1.868 -10.745 7.202) 13.069 9.301 ( -5.124 -6.918 -1.862) 8.808 9.323 ( -3.540 -0.801 -1.683) 4.000 9.482 ( -5.532 0.794 -6.712) 8.734 9.619 ( 2.604 -18.792 0.976) 18.997 9.688 ( 8.030 -2.977 4.438) 9.646 9.802 ( 3.338 -2.580 2.126) 4.724 9.902 ( 4.298 -4.592 -9.265) 11.199 9.995 ( 4.266 1.794 -26.670) 27.068 10.884 ( -3.616 18.083 -2.936) 18.673 10.963 ( -1.652 6.710 -0.106) 6.911 11.358 ( -0.373 2.226 0.429) 2.298 11.992 ( 1.179 -0.058 2.415) 2.688 12.108 ( -0.096 -4.914 6.069) 7.810 12.189 ( 1.039 -4.110 -3.611) 5.568 12.443 ( -4.623 8.804 0.773) 9.974 12.503 ( 1.977 9.050 -7.851) 12.143 12.837 ( 2.826 0.240 1.469) 3.194 12.979 ( -3.493 4.922 -1.779) 6.292 13.305 ( 1.287 1.131 0.736) 1.865 13.337 ( 1.424 7.503 -0.353) 7.645 13.515 ( 5.219 -5.109 2.514) 7.724 13.648 ( 1.469 -0.199 -2.289) 2.727 13.701 ( 4.933 -0.654 3.207) 5.921 14.208 ( -4.208 -12.194 -1.546) 12.992 14.486 ( -0.604 0.429 19.741) 19.755 14.515 ( 0.518 0.869 18.739) 18.766 14.814 ( -0.991 1.333 -12.326) 12.437 14.983 ( -1.063 -1.489 -14.266) 14.383 15.157 ( 0.900 8.725 -2.172) 9.036 15.258 ( -3.949 -8.714 -0.303) 9.572 15.375 ( -4.601 -10.458 3.509) 11.952 15.536 ( -2.850 1.946 -4.430) 5.615 15.752 ( -0.963 2.343 3.584) 4.389 15.797 ( -3.354 4.235 -0.865) 5.471 16.006 ( -12.481 -2.405 2.689) 12.992 16.262 ( 3.914 1.105 6.117) 7.345 16.541 ( -5.279 1.224 -0.348) 5.430 16.799 ( 5.353 -3.360 1.032) 6.403 17.131 ( 6.672 -7.477 1.914) 10.202 17.745 ( -2.280 -8.721 -0.347) 9.021 17.775 ( 10.951 5.131 2.558) 12.361 17.980 ( 7.874 8.559 9.926) 15.290 18.295 ( -6.102 5.677 -12.071) 14.668 18.952 ( 0.500 6.474 -3.253) 7.263 19.167 ( -4.946 4.193 1.087) 6.575 19.603 ( -1.598 -1.173 12.429) 12.586 19.980 ( 10.809 6.675 -11.304) 17.005 20.153 ( -0.741 -22.958 3.199) 23.192 20.204 ( 1.043 -20.685 2.445) 20.855 20.585 ( -0.415 0.740 -2.124) 2.288 20.950 ( 3.754 -2.693 0.429) 4.640 21.262 ( -0.514 12.592 8.218) 15.045 21.461 ( -1.166 -1.510 -1.920) 2.706 21.516 ( 1.531 -2.129 -3.151) 4.099 21.654 ( -6.164 8.588 -2.166) 10.791 21.690 ( -1.026 0.975 -3.264) 3.557 22.643 ( -1.544 2.209 -1.398) 3.036 22.702 ( -1.906 0.974 -0.948) 2.341 ======================= Grid point 205 (71/80) ======================= q-point: ( 0.29 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.977 ( -2.688 8.673 17.699) 19.893 3.067 ( -4.642 14.035 3.390) 15.167 3.507 ( 2.899 7.073 3.849) 8.559 3.572 ( 2.389 10.235 -0.584) 10.526 3.924 ( -5.420 3.004 14.053) 15.358 4.026 ( -3.440 5.313 -19.172) 20.190 4.278 ( -0.923 -4.999 -13.820) 14.725 4.446 ( -7.206 0.082 -3.278) 7.917 4.781 ( 1.500 1.660 2.624) 3.449 5.004 ( -1.161 -6.914 -3.120) 7.674 5.098 ( -2.458 -3.895 4.276) 6.284 5.203 ( -6.286 -15.313 0.179) 16.554 5.530 ( -6.798 -11.632 -0.737) 13.493 5.656 ( 0.808 -1.083 9.483) 9.579 5.765 ( 1.233 3.928 3.320) 5.288 5.873 ( 2.465 8.390 -0.158) 8.746 6.011 ( 5.748 -0.656 8.643) 10.400 6.183 ( 5.390 -1.223 3.025) 6.301 6.204 ( 4.721 4.191 -1.210) 6.427 6.566 ( 4.601 -0.202 -3.254) 5.639 6.811 ( 2.156 -1.813 8.161) 8.633 6.920 ( 2.448 6.716 3.847) 8.118 6.952 ( 2.055 0.051 -1.886) 2.789 7.052 ( 7.739 -3.808 5.373) 10.162 7.226 ( -0.998 -3.644 -8.200) 9.028 7.285 ( -2.282 -2.992 1.546) 4.068 7.333 ( 0.775 4.049 -1.616) 4.428 7.512 ( 2.324 4.624 9.480) 10.800 7.632 ( -6.070 8.446 10.713) 14.932 7.783 ( 4.542 -0.796 10.041) 11.049 7.838 ( -3.065 5.870 13.447) 14.989 8.000 ( 2.461 6.611 0.822) 7.102 8.153 ( -0.611 8.098 -1.762) 8.310 8.204 ( -1.098 0.626 -6.584) 6.704 8.380 ( 3.667 0.068 -8.487) 9.245 8.561 ( -3.864 -0.830 3.281) 5.136 8.664 ( -5.109 2.173 0.860) 5.618 8.755 ( -9.246 -1.344 0.915) 9.388 9.221 ( -3.051 -6.205 -5.029) 8.550 9.284 ( -2.575 -3.340 -0.068) 4.218 9.427 ( 2.209 -4.317 -10.285) 11.371 9.634 ( -0.615 -20.507 -6.081) 21.398 9.863 ( 8.163 -9.035 5.938) 13.547 9.882 ( 5.935 -0.150 2.659) 6.505 10.000 ( 4.531 -4.080 -8.614) 10.554 10.081 ( 3.888 -0.275 -17.289) 17.723 10.781 ( -6.335 5.688 -1.657) 8.674 10.884 ( -5.757 2.850 -1.111) 6.519 11.421 ( 6.395 14.307 -0.465) 15.679 12.008 ( -4.275 2.799 3.335) 6.102 12.031 ( -3.705 -0.158 0.609) 3.758 12.145 ( -3.472 -0.111 -4.135) 5.400 12.471 ( 6.693 4.711 4.727) 9.452 12.583 ( 5.672 7.264 -6.890) 11.507 12.853 ( -1.699 -1.668 1.930) 3.065 12.906 ( -3.586 4.951 -2.731) 6.695 13.333 ( 1.590 2.665 0.940) 3.243 13.368 ( 1.502 7.221 2.164) 7.686 13.639 ( 6.937 -6.625 1.678) 9.739 13.698 ( 3.807 -0.928 -1.569) 4.221 13.814 ( 5.422 -1.895 1.828) 6.028 14.092 ( -7.279 -7.893 -2.134) 10.947 14.483 ( 0.446 -0.514 19.546) 19.558 14.524 ( 0.433 0.477 18.412) 18.423 14.798 ( -0.308 0.563 -11.981) 11.998 14.942 ( -3.139 -1.984 -11.023) 11.631 15.133 ( -7.385 -0.500 -0.929) 7.460 15.206 ( 2.584 5.725 -3.339) 7.114 15.274 ( -3.851 -2.556 0.674) 4.671 15.478 ( -3.296 3.897 -3.910) 6.430 15.600 ( -7.993 0.480 0.556) 8.026 15.685 ( -16.087 -4.647 0.975) 16.773 15.900 ( 6.948 -5.439 3.012) 9.324 16.319 ( -3.684 -7.059 10.681) 13.323 16.528 ( 7.604 4.283 -2.877) 9.189 16.913 ( 5.850 2.113 4.217) 7.515 17.174 ( -2.422 -2.120 1.802) 3.689 17.605 ( -10.910 6.368 -8.599) 15.281 18.008 ( 13.536 6.870 6.198) 16.396 18.189 ( 10.743 -6.687 7.033) 14.477 18.392 ( 15.223 4.700 -4.488) 16.552 18.887 ( -6.304 -3.034 -3.066) 7.638 19.033 ( -8.204 3.102 -1.129) 8.844 19.505 ( -8.579 -1.352 8.841) 12.393 20.151 ( 0.498 -23.094 3.350) 23.342 20.206 ( 1.745 -16.302 1.551) 16.468 20.237 ( 10.656 1.574 -7.321) 13.024 20.569 ( -1.361 0.960 -2.714) 3.184 21.065 ( 7.906 -0.797 0.773) 7.984 21.251 ( -0.374 13.708 6.836) 15.323 21.423 ( -3.676 3.108 2.877) 5.608 21.499 ( -4.816 5.441 -2.954) 7.844 21.566 ( 0.356 0.502 -4.939) 4.977 21.663 ( -1.713 0.692 -3.007) 3.529 22.606 ( -1.915 1.032 -1.744) 2.788 22.654 ( -2.791 0.975 -1.462) 3.298 ======================= Grid point 206 (72/80) ======================= q-point: ( 0.43 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.931 ( -0.916 9.115 4.201) 10.078 2.965 ( -4.345 10.666 -0.669) 11.536 3.608 ( 5.783 7.601 9.452) 13.437 3.647 ( 3.339 9.553 0.363) 10.126 3.836 ( -1.924 4.014 16.466) 17.057 3.915 ( -7.416 6.522 -2.644) 10.224 4.278 ( 0.882 -4.318 -15.373) 15.992 4.320 ( -4.028 -2.672 -12.320) 13.235 4.861 ( 5.582 3.459 0.165) 6.569 4.984 ( -5.319 -1.520 1.675) 5.780 5.018 ( 0.244 -10.403 -1.814) 10.563 5.087 ( -5.153 -16.958 -0.171) 17.724 5.492 ( 2.432 -7.299 -0.150) 7.695 5.580 ( -5.613 -4.401 2.073) 7.427 5.825 ( 2.952 4.648 2.979) 6.260 5.868 ( -1.600 6.254 -1.372) 6.600 6.145 ( 6.132 -0.312 15.807) 16.958 6.212 ( -0.754 -3.465 9.127) 9.792 6.416 ( 11.523 7.299 -2.826) 13.930 6.580 ( -4.231 1.119 -3.068) 5.345 6.888 ( 6.442 -2.227 6.494) 9.415 6.955 ( 2.860 7.043 5.227) 9.225 7.041 ( 4.594 -4.040 1.451) 6.288 7.101 ( -1.618 -2.727 0.219) 3.179 7.158 ( -5.997 -2.248 0.194) 6.407 7.178 ( -7.188 2.467 -3.187) 8.240 7.383 ( 4.662 0.374 -2.090) 5.123 7.494 ( -5.824 3.968 2.006) 7.327 7.598 ( 5.454 7.988 21.243) 23.342 7.717 ( -6.037 7.221 26.222) 27.860 7.914 ( 5.643 1.674 -4.870) 7.639 8.012 ( -3.768 4.427 -3.778) 6.933 8.212 ( 8.012 5.075 3.244) 10.023 8.270 ( 6.604 -0.072 -0.373) 6.615 8.400 ( -4.639 0.271 2.731) 5.390 8.472 ( -7.001 2.816 1.172) 7.637 8.541 ( -1.352 3.967 -8.248) 9.251 8.610 ( -5.110 2.746 -7.349) 9.362 9.189 ( -0.070 -5.026 -7.266) 8.835 9.218 ( -2.911 -3.465 -6.104) 7.599 9.522 ( 5.251 -11.870 -5.450) 14.078 9.601 ( -2.802 -16.521 -5.648) 17.684 9.998 ( 6.385 -7.053 0.462) 9.525 10.012 ( 5.568 -3.789 -1.156) 6.834 10.051 ( 0.456 -3.481 -6.586) 7.463 10.111 ( -1.994 -4.023 -5.153) 6.835 10.697 ( -0.509 -0.892 -2.035) 2.280 10.764 ( -5.939 1.487 -1.958) 6.428 11.582 ( 9.738 16.436 -1.386) 19.155 11.794 ( -11.834 12.196 -0.765) 17.011 12.053 ( 1.794 -0.500 -0.138) 1.867 12.093 ( -2.253 0.006 -1.370) 2.636 12.619 ( 7.438 4.521 4.486) 9.792 12.696 ( 3.723 4.190 -0.996) 5.692 12.783 ( -3.214 1.704 -1.168) 3.821 12.835 ( -4.293 2.006 -3.850) 6.106 13.366 ( 1.586 3.733 2.213) 4.620 13.384 ( -0.037 4.654 2.818) 5.441 13.767 ( 5.813 -5.132 2.169) 8.052 13.794 ( 5.114 -3.049 0.186) 5.957 13.867 ( -0.117 -3.746 -0.749) 3.822 13.944 ( -7.249 -4.140 -2.937) 8.850 14.505 ( 1.570 -0.627 18.446) 18.523 14.528 ( -0.390 -0.263 18.145) 18.152 14.813 ( 1.839 -0.261 -10.320) 10.486 14.868 ( -3.771 -1.173 -8.755) 9.605 15.045 ( 0.702 3.433 -2.249) 4.163 15.153 ( -7.731 2.492 1.623) 8.283 15.299 ( 4.534 5.808 -4.095) 8.429 15.392 ( -5.128 3.633 -2.584) 6.795 15.465 ( -2.461 -4.508 -2.356) 5.650 15.498 ( -4.842 -3.668 -1.405) 6.235 16.041 ( 7.413 -8.193 4.508) 11.933 16.189 ( -7.698 -9.640 6.386) 13.891 16.738 ( 11.529 3.253 6.807) 13.778 16.932 ( -6.668 1.714 13.900) 15.512 17.177 ( 6.718 7.546 -11.244) 15.116 17.374 ( -11.843 8.919 -12.515) 19.402 18.287 ( 13.357 3.131 11.173) 17.694 18.391 ( 6.986 -3.914 10.192) 12.962 18.612 ( 2.348 -2.702 -4.666) 5.881 18.744 ( -9.070 -5.551 -9.536) 14.284 18.978 ( 9.659 1.493 1.935) 9.964 19.269 ( -15.181 -0.406 5.915) 16.298 20.169 ( 1.261 -22.352 3.252) 22.623 20.195 ( -1.197 -21.411 2.938) 21.645 20.428 ( 7.165 3.170 -5.837) 9.771 20.526 ( -3.300 1.548 -3.900) 5.338 21.225 ( 6.125 4.430 4.191) 8.643 21.261 ( 1.744 12.073 5.409) 13.344 21.335 ( -2.345 9.143 0.970) 9.488 21.411 ( -5.160 3.978 -3.467) 7.380 21.590 ( 1.607 -1.159 -3.577) 4.089 21.626 ( -1.968 0.053 -3.040) 3.622 22.583 ( -0.162 0.360 -2.091) 2.128 22.604 ( -2.109 0.574 -1.989) 2.955 ======================= Grid point 210 (73/80) ======================= q-point: ( 0.00 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.244 ( 0.000 13.048 31.367) 33.973 3.506 ( 0.000 17.240 13.076) 21.638 3.689 ( 0.000 2.991 25.397) 25.573 3.817 ( 0.000 11.409 -26.425) 28.783 4.146 ( 0.000 -0.406 2.191) 2.228 4.184 ( 0.000 -0.958 -21.425) 21.447 4.242 ( 0.000 6.752 -15.732) 17.120 4.442 ( 0.000 4.699 3.499) 5.859 4.883 ( 0.000 -10.386 -0.335) 10.392 4.930 ( 0.000 -8.629 7.383) 11.356 4.930 ( 0.000 -3.028 -5.609) 6.374 5.257 ( 0.000 -10.364 -6.261) 12.108 5.545 ( 0.000 -1.543 3.169) 3.525 5.641 ( 0.000 -4.860 3.604) 6.050 5.714 ( 0.000 -0.118 -5.092) 5.094 5.723 ( 0.000 -0.689 18.123) 18.136 5.859 ( 0.000 0.638 -2.888) 2.958 6.228 ( 0.000 14.132 2.247) 14.309 6.371 ( 0.000 -1.976 10.366) 10.553 6.419 ( 0.000 -1.784 4.092) 4.464 6.544 ( 0.000 4.013 2.028) 4.496 6.828 ( 0.000 6.634 -8.892) 11.094 6.899 ( 0.000 11.439 1.207) 11.502 7.042 ( 0.000 -5.453 -3.786) 6.639 7.067 ( 0.000 -21.500 -0.365) 21.503 7.204 ( 0.000 7.648 -4.031) 8.646 7.463 ( 0.000 0.749 9.077) 9.108 7.621 ( 0.000 6.416 4.771) 7.995 7.758 ( 0.000 18.694 7.753) 20.238 7.796 ( 0.000 -3.930 15.499) 15.989 7.936 ( 0.000 5.330 -4.959) 7.280 8.074 ( 0.000 -1.269 -7.574) 7.680 8.203 ( 0.000 -1.687 1.090) 2.009 8.407 ( 0.000 5.072 6.438) 8.196 8.429 ( 0.000 6.363 1.162) 6.468 8.557 ( 0.000 -2.400 6.402) 6.837 8.639 ( 0.000 -7.499 7.388) 10.527 8.756 ( 0.000 -3.400 2.743) 4.369 8.920 ( 0.000 -22.204 -2.096) 22.303 9.054 ( 0.000 -28.808 -0.531) 28.813 9.293 ( 0.000 -0.488 -11.998) 12.008 9.600 ( 0.000 -8.062 -13.856) 16.031 9.634 ( 0.000 2.682 -2.660) 3.777 9.699 ( 0.000 -0.546 3.853) 3.892 10.128 ( 0.000 14.626 -14.907) 20.884 10.177 ( 0.000 20.595 -5.635) 21.352 11.130 ( 0.000 -3.603 -1.443) 3.882 11.143 ( 0.000 4.406 -0.012) 4.406 11.373 ( 0.000 8.923 -1.572) 9.060 11.821 ( 0.000 -14.852 3.378) 15.231 12.105 ( 0.000 11.830 1.947) 11.990 12.268 ( 0.000 9.362 -2.918) 9.806 12.625 ( 0.000 0.967 -5.157) 5.247 12.628 ( 0.000 4.356 3.438) 5.549 12.821 ( 0.000 -0.224 -0.075) 0.237 12.863 ( 0.000 -16.049 -3.327) 16.390 13.310 ( 0.000 0.061 1.462) 1.463 13.352 ( 0.000 0.601 -1.769) 1.868 13.635 ( 0.000 5.903 0.760) 5.951 13.700 ( 0.000 12.806 -1.015) 12.846 13.704 ( 0.000 7.533 4.226) 8.638 13.963 ( 0.000 -13.135 -1.474) 13.217 14.521 ( 0.000 1.471 21.056) 21.107 14.523 ( 0.000 1.111 19.858) 19.889 14.878 ( 0.000 3.223 -14.434) 14.790 14.941 ( 0.000 -4.252 -8.838) 9.808 15.085 ( 0.000 -9.489 -5.480) 10.958 15.089 ( 0.000 -16.950 4.134) 17.447 15.329 ( 0.000 7.310 -1.439) 7.450 15.534 ( 0.000 -2.749 -4.281) 5.088 15.789 ( 0.000 7.566 1.978) 7.820 16.104 ( 0.000 -1.000 3.634) 3.769 16.123 ( 0.000 -0.966 7.060) 7.126 16.260 ( 0.000 12.584 -1.399) 12.661 16.396 ( 0.000 -17.370 -4.097) 17.847 16.816 ( 0.000 -12.943 -0.491) 12.952 16.870 ( 0.000 13.683 1.148) 13.732 17.402 ( 0.000 -14.065 -0.668) 14.081 17.941 ( 0.000 18.496 3.586) 18.840 18.159 ( 0.000 10.601 13.251) 16.969 18.561 ( 0.000 8.536 -12.149) 14.848 18.957 ( 0.000 -9.204 -0.933) 9.251 19.336 ( 0.000 6.932 3.485) 7.759 19.588 ( 0.000 -2.794 8.716) 9.153 19.708 ( 0.000 -20.671 3.281) 20.930 19.742 ( 0.000 -20.018 1.921) 20.110 20.137 ( 0.000 20.207 -10.527) 22.785 20.599 ( 0.000 -0.212 -2.638) 2.646 20.852 ( 0.000 -2.138 0.066) 2.139 21.158 ( 0.000 -15.565 -2.144) 15.712 21.566 ( 0.000 8.420 5.233) 9.914 21.574 ( 0.000 3.982 2.483) 4.693 21.719 ( 0.000 2.133 -6.219) 6.574 21.831 ( 0.000 2.098 -2.645) 3.376 22.715 ( 0.000 2.347 -1.109) 2.596 22.741 ( 0.000 0.767 -0.859) 1.151 ======================= Grid point 211 (74/80) ======================= q-point: ( 0.14 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.230 ( -1.663 11.819 28.063) 30.496 3.469 ( -5.057 11.350 8.595) 15.109 3.668 ( -0.180 9.563 18.168) 20.532 3.795 ( -1.410 11.105 -17.535) 20.804 4.075 ( -4.847 -0.842 0.985) 5.017 4.185 ( -0.799 3.586 -16.067) 16.482 4.249 ( 0.514 4.609 -14.461) 15.186 4.503 ( 3.106 2.208 3.263) 5.017 4.768 ( -6.805 -6.781 6.394) 11.540 4.892 ( -2.421 -8.279 -2.674) 9.031 4.998 ( 0.727 -4.965 -1.871) 5.355 5.132 ( -6.903 -8.797 -9.290) 14.537 5.497 ( -10.580 -5.700 3.445) 12.502 5.643 ( -5.008 -4.604 -0.086) 6.804 5.662 ( 5.191 -3.491 1.460) 6.424 5.768 ( 3.906 -8.331 13.340) 16.205 5.968 ( 10.536 8.816 2.077) 13.894 6.143 ( -4.202 10.073 2.329) 11.160 6.430 ( 0.688 11.384 4.559) 12.282 6.579 ( 12.214 -6.501 7.383) 15.683 6.596 ( 8.066 7.572 0.535) 11.076 6.819 ( -0.905 3.471 -4.734) 5.940 6.955 ( -0.642 -3.129 0.949) 3.333 6.981 ( 1.402 -4.026 -1.090) 4.400 7.089 ( 2.933 -3.835 -2.172) 5.294 7.240 ( 1.154 2.382 -3.432) 4.334 7.488 ( 0.887 2.345 5.698) 6.226 7.614 ( -1.109 1.286 3.559) 3.944 7.753 ( 0.230 12.758 10.963) 16.823 7.825 ( 3.178 5.235 14.027) 15.305 7.982 ( 3.035 5.795 -3.414) 7.379 8.028 ( -2.915 -3.041 -3.963) 5.783 8.217 ( 1.032 1.301 1.989) 2.591 8.370 ( -4.094 4.640 4.412) 7.600 8.400 ( -1.996 3.848 -1.377) 4.548 8.555 ( -0.133 -1.530 7.433) 7.590 8.670 ( 2.553 -6.503 6.802) 9.751 8.750 ( -1.040 -3.206 3.101) 4.580 8.916 ( 0.036 -20.622 -0.158) 20.622 9.080 ( 2.265 -27.774 -1.129) 27.889 9.247 ( -3.881 -1.216 -14.003) 14.582 9.471 ( -7.377 -3.873 -12.141) 14.725 9.731 ( 5.033 0.650 -0.503) 5.100 9.772 ( 5.797 -2.883 -2.652) 6.997 10.031 ( -5.095 15.570 -10.072) 19.231 10.242 ( 2.894 15.727 -9.203) 18.451 10.931 ( -12.905 -4.137 0.174) 13.553 11.106 ( -6.940 0.388 -1.708) 7.158 11.503 ( 10.404 10.538 -0.550) 14.819 11.922 ( 8.446 -10.827 2.257) 13.916 12.111 ( 0.565 11.514 1.732) 11.657 12.261 ( -0.748 9.486 -2.779) 9.913 12.579 ( -4.139 5.851 2.704) 7.660 12.639 ( 1.281 -0.035 -4.957) 5.120 12.821 ( -0.690 -2.506 0.192) 2.606 12.849 ( -1.048 -14.421 -3.050) 14.777 13.331 ( 2.919 1.867 1.266) 3.689 13.421 ( 5.742 -0.436 -1.082) 5.859 13.645 ( 0.821 7.427 1.485) 7.619 13.683 ( -0.839 9.158 0.790) 9.230 13.736 ( 2.501 6.869 2.261) 7.652 13.952 ( -1.218 -11.958 -1.866) 12.164 14.509 ( -0.636 2.125 20.794) 20.912 14.532 ( 0.453 1.078 19.377) 19.412 14.858 ( -1.730 2.661 -13.171) 13.548 14.928 ( -1.233 -3.709 -8.738) 9.573 15.082 ( 0.091 -10.858 -2.598) 11.165 15.091 ( -0.347 -13.590 0.444) 13.601 15.333 ( 0.729 7.677 -2.220) 8.025 15.549 ( 0.984 -1.705 -4.138) 4.582 15.786 ( -0.570 5.002 3.311) 6.026 15.913 ( -14.239 2.884 0.042) 14.528 15.938 ( -14.420 -1.129 2.605) 14.697 16.255 ( -5.299 -9.977 6.121) 12.849 16.473 ( 7.660 4.008 -6.244) 10.665 16.867 ( 5.262 -3.807 6.137) 8.936 16.993 ( 9.082 4.212 -4.171) 10.846 17.484 ( 8.098 -13.119 -0.745) 15.434 18.033 ( 8.221 16.274 4.608) 18.806 18.184 ( 0.903 10.317 15.343) 18.511 18.476 ( -5.075 9.919 -13.902) 17.816 18.891 ( -6.606 -10.689 -1.154) 12.618 19.275 ( -6.044 5.911 2.164) 8.727 19.562 ( -3.582 -4.583 8.195) 10.049 19.682 ( -0.104 -19.944 3.218) 20.202 19.782 ( 1.861 -18.562 2.459) 18.816 20.234 ( 8.471 16.662 -9.459) 20.948 20.595 ( -0.436 -0.340 -2.883) 2.935 20.904 ( 5.487 -0.979 0.041) 5.574 21.206 ( 4.566 -13.147 -1.644) 14.014 21.549 ( -1.452 8.074 5.032) 9.624 21.576 ( -0.105 4.007 2.628) 4.793 21.708 ( -1.174 1.744 -5.762) 6.133 21.784 ( -4.449 3.057 -2.911) 6.133 22.690 ( -2.364 2.136 -1.234) 3.417 22.721 ( -1.949 0.652 -1.063) 2.314 ======================= Grid point 212 (75/80) ======================= q-point: ( 0.29 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.175 ( -3.585 9.675 15.835) 18.900 3.317 ( -8.890 7.023 2.486) 11.599 3.709 ( 3.960 12.852 7.052) 15.185 3.802 ( 2.573 11.784 0.025) 12.062 3.996 ( -3.214 2.563 8.249) 9.216 4.151 ( -2.481 3.345 -12.732) 13.396 4.246 ( -1.151 4.364 -14.172) 14.874 4.427 ( -9.702 -1.639 0.838) 9.875 4.719 ( 0.118 -7.774 6.115) 9.891 4.825 ( -4.787 -12.167 2.235) 13.265 4.927 ( -2.413 -2.191 -10.677) 11.163 5.124 ( 1.783 -0.156 -3.551) 3.977 5.287 ( -7.883 -9.210 -3.484) 12.614 5.543 ( -5.113 -9.186 0.799) 10.544 5.741 ( 3.239 -3.854 5.174) 7.219 5.856 ( 3.377 -10.051 7.083) 12.752 6.105 ( 1.157 8.880 3.750) 9.708 6.181 ( 8.104 8.823 9.243) 15.132 6.467 ( 4.677 11.809 1.030) 12.743 6.692 ( 0.908 9.450 0.870) 9.533 6.793 ( 8.482 0.511 4.819) 9.769 6.894 ( -0.257 -3.735 -3.277) 4.975 6.917 ( 9.122 -5.325 -2.788) 10.924 7.091 ( 4.979 2.113 4.244) 6.875 7.141 ( 1.851 -1.051 -1.096) 2.394 7.247 ( 0.516 3.176 1.178) 3.426 7.433 ( -5.428 1.750 3.380) 6.629 7.580 ( -2.310 -1.173 0.156) 2.595 7.785 ( 0.300 7.692 11.049) 13.466 7.836 ( -0.917 4.954 15.558) 16.353 7.998 ( -1.582 8.131 0.052) 8.284 8.070 ( 7.239 1.065 2.051) 7.599 8.242 ( -1.777 1.699 4.849) 5.436 8.259 ( -3.146 3.964 1.533) 5.288 8.391 ( 1.254 -0.063 -2.785) 3.055 8.551 ( -0.375 -0.479 5.892) 5.923 8.684 ( -3.693 -4.017 2.313) 5.927 8.718 ( -0.103 1.029 4.102) 4.230 8.945 ( 2.897 -16.834 3.770) 17.493 9.119 ( 0.788 -21.443 -3.103) 21.681 9.175 ( -2.389 -7.039 -16.047) 17.685 9.332 ( -6.681 -5.246 -16.678) 18.716 9.836 ( 5.623 1.295 0.696) 5.812 9.870 ( 4.060 -3.069 -6.405) 8.180 9.989 ( 1.185 8.741 -8.046) 11.939 10.284 ( 1.427 13.426 -7.106) 15.258 10.679 ( -11.753 -7.845 0.700) 14.148 10.928 ( -10.581 -4.074 -1.663) 11.459 11.716 ( 10.899 13.836 -0.717) 17.628 12.069 ( 4.636 -0.926 0.879) 4.809 12.128 ( 1.194 10.921 1.227) 11.055 12.238 ( -1.662 9.688 -2.327) 10.101 12.511 ( -1.303 3.675 2.230) 4.492 12.678 ( 2.668 -3.303 -4.585) 6.249 12.778 ( -3.546 -6.119 1.056) 7.150 12.828 ( -1.382 -11.201 -3.471) 11.808 13.418 ( 5.390 5.691 2.221) 8.147 13.545 ( 6.433 -0.381 -0.623) 6.475 13.640 ( -1.411 12.863 4.257) 13.623 13.694 ( 2.180 1.180 -0.434) 2.517 13.791 ( 2.352 1.464 1.626) 3.212 13.913 ( -2.720 -8.610 -2.728) 9.433 14.504 ( 0.319 2.830 20.076) 20.277 14.540 ( 0.327 1.518 18.547) 18.612 14.826 ( -1.144 1.890 -10.954) 11.175 14.897 ( -1.951 -1.812 -9.635) 9.996 15.069 ( -1.481 -7.595 -2.405) 8.104 15.097 ( 1.523 -10.929 0.790) 11.062 15.365 ( 2.352 7.295 -2.885) 8.190 15.548 ( -1.807 1.105 -3.739) 4.297 15.603 ( -14.264 -1.073 -0.931) 14.334 15.631 ( -14.481 1.362 -0.002) 14.545 15.823 ( 2.016 -0.635 2.810) 3.516 16.121 ( -7.247 -11.398 5.672) 14.650 16.634 ( 8.482 6.970 -3.212) 11.438 16.954 ( 2.053 -4.971 6.658) 8.559 17.178 ( 10.142 9.054 -5.001) 14.486 17.676 ( 8.949 -5.662 -0.684) 10.612 18.071 ( -7.661 5.647 5.961) 11.230 18.238 ( 10.625 12.097 5.521) 17.021 18.538 ( 8.777 5.203 0.287) 10.208 18.722 ( -8.843 -11.791 -4.774) 15.492 19.119 ( -9.071 5.325 0.755) 10.545 19.445 ( -8.255 -6.165 6.098) 11.972 19.704 ( 1.782 -17.316 4.115) 17.888 19.799 ( -0.141 -17.785 2.860) 18.014 20.397 ( 7.082 8.983 -7.419) 13.634 20.581 ( -1.025 -0.226 -3.494) 3.648 21.067 ( 10.625 1.749 -0.171) 10.769 21.313 ( 5.588 -7.418 -0.163) 9.289 21.518 ( -1.434 7.996 4.554) 9.313 21.566 ( -0.857 3.036 2.478) 4.012 21.670 ( -3.559 2.765 -4.015) 6.036 21.684 ( -4.226 3.062 -4.266) 6.740 22.634 ( -2.924 1.585 -1.634) 3.706 22.669 ( -3.152 0.284 -1.561) 3.529 ======================= Grid point 213 (76/80) ======================= q-point: ( 0.43 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.124 ( -0.668 8.468 3.986) 9.383 3.170 ( -5.375 7.478 0.117) 9.210 3.808 ( 5.522 11.355 9.958) 16.080 3.872 ( 1.930 11.943 5.633) 13.345 3.950 ( 0.704 6.341 10.618) 12.387 4.070 ( -7.055 6.453 -3.441) 10.162 4.216 ( -0.273 -0.627 -12.837) 12.855 4.263 ( -5.110 -2.571 -9.297) 10.916 4.709 ( -0.322 -14.185 1.259) 14.245 4.735 ( -3.243 -15.160 1.285) 15.556 4.955 ( 3.724 3.600 -5.923) 7.869 5.052 ( -6.117 5.128 -2.182) 8.275 5.305 ( 6.093 -10.592 -3.590) 12.735 5.432 ( -6.327 -9.797 -0.553) 11.676 5.806 ( 3.291 -3.777 3.498) 6.110 5.862 ( -2.077 -5.651 1.211) 6.141 6.176 ( 4.827 3.537 11.326) 12.810 6.242 ( -1.066 3.866 12.053) 12.702 6.599 ( 6.978 8.858 -2.004) 11.453 6.687 ( -1.760 8.111 -0.711) 8.330 6.907 ( 4.328 2.907 0.646) 5.253 6.948 ( 2.473 -1.350 2.194) 3.571 7.025 ( 2.800 -1.474 -3.996) 5.098 7.112 ( -4.521 -0.933 -2.736) 5.366 7.173 ( 4.031 5.902 3.666) 8.032 7.262 ( -3.311 6.044 6.634) 9.565 7.385 ( 5.174 0.166 0.485) 5.200 7.526 ( -5.153 -0.187 3.303) 6.124 7.758 ( 1.771 6.384 16.950) 18.198 7.831 ( -2.963 4.268 17.381) 18.141 7.975 ( 2.162 3.594 -4.735) 6.325 8.086 ( -8.296 1.036 -4.150) 9.334 8.239 ( 8.185 1.190 8.934) 12.175 8.316 ( 2.042 1.130 12.250) 12.471 8.411 ( 0.993 -0.110 -0.181) 1.015 8.499 ( -5.929 -2.201 5.338) 8.276 8.642 ( 1.861 6.410 -4.029) 7.797 8.698 ( -2.418 5.156 -1.718) 5.949 9.009 ( 3.493 -12.794 0.422) 13.269 9.081 ( -3.565 -10.412 -5.205) 12.174 9.182 ( 1.679 -16.972 -12.176) 20.955 9.228 ( -3.572 -10.954 -17.558) 21.001 9.932 ( 2.860 -3.584 -5.768) 7.368 9.933 ( 2.112 -4.364 -7.810) 9.192 10.068 ( 7.273 8.968 -2.620) 11.840 10.240 ( -7.603 12.450 -1.612) 14.677 10.567 ( 2.583 -10.143 -1.365) 10.555 10.716 ( -10.456 -6.989 -1.837) 12.710 11.915 ( 9.197 15.049 -1.108) 17.672 12.061 ( -5.009 11.583 -0.835) 12.647 12.157 ( 1.778 10.592 0.557) 10.755 12.196 ( -2.252 10.224 -0.522) 10.482 12.562 ( 5.707 -4.596 2.142) 7.634 12.682 ( -5.696 -6.216 1.830) 8.628 12.739 ( 2.861 -7.432 -4.320) 9.060 12.792 ( -2.327 -9.838 -4.165) 10.934 13.518 ( 4.461 10.104 3.374) 11.549 13.587 ( -2.609 12.015 3.258) 12.719 13.682 ( 5.846 -1.795 2.448) 6.587 13.742 ( 1.457 -1.530 2.419) 3.212 13.803 ( -0.292 -1.837 -2.205) 2.885 13.850 ( -3.596 -4.401 -3.752) 6.811 14.524 ( 1.371 2.647 18.959) 19.192 14.542 ( -0.311 1.941 18.436) 18.541 14.823 ( 0.896 1.509 -9.670) 9.828 14.855 ( -2.132 0.577 -10.015) 10.255 15.068 ( 2.366 -3.068 -1.199) 4.056 15.125 ( -0.303 -7.036 2.353) 7.425 15.344 ( -5.792 -2.882 -0.506) 6.490 15.380 ( -7.147 -2.138 0.916) 7.516 15.457 ( 1.485 4.976 -7.636) 9.234 15.515 ( -3.102 5.037 -6.608) 8.869 15.888 ( 4.347 -5.943 4.622) 8.694 15.990 ( -6.066 -9.211 5.361) 12.263 16.797 ( 7.930 3.267 -0.128) 8.577 16.925 ( -4.639 -2.149 3.302) 6.086 17.400 ( 12.466 14.500 -3.530) 19.445 17.644 ( -11.126 15.589 -2.012) 19.257 18.119 ( 12.157 -14.734 3.550) 19.429 18.361 ( -7.331 -8.482 10.287) 15.215 18.552 ( 6.408 2.328 -3.636) 7.727 18.719 ( -3.198 1.976 0.326) 3.773 19.029 ( 5.364 3.839 0.431) 6.611 19.243 ( -12.131 -2.834 3.781) 13.019 19.743 ( 2.090 -17.292 3.949) 17.860 19.780 ( -1.596 -17.479 3.429) 17.884 20.500 ( 3.697 3.408 -5.588) 7.517 20.553 ( -1.927 0.798 -4.357) 4.831 21.275 ( 9.257 2.607 0.462) 9.628 21.377 ( -0.488 -0.378 2.260) 2.343 21.508 ( 1.006 7.749 3.251) 8.463 21.558 ( -1.100 5.082 0.552) 5.228 21.582 ( -2.037 1.928 -3.342) 4.363 21.625 ( -3.114 0.001 -3.966) 5.042 22.595 ( -0.725 0.718 -2.077) 2.314 22.612 ( -2.296 0.142 -2.044) 3.077 ======================= Grid point 217 (77/80) ======================= q-point: ( 0.00 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.486 ( 0.000 -10.215 27.014) 28.880 3.486 ( 0.000 10.215 27.014) 28.880 3.952 ( 0.000 -12.762 5.884) 14.053 3.952 ( 0.000 12.762 5.884) 14.053 4.040 ( 0.000 -6.137 -19.979) 20.901 4.040 ( 0.000 6.137 -19.979) 20.901 4.518 ( 0.000 -8.386 -7.139) 11.013 4.518 ( 0.000 8.386 -7.139) 11.013 4.733 ( 0.000 -5.200 4.515) 6.886 4.733 ( 0.000 5.200 4.515) 6.886 5.013 ( 0.000 -10.556 -7.746) 13.093 5.013 ( 0.000 10.556 -7.746) 13.093 5.584 ( 0.000 -4.994 2.914) 5.782 5.584 ( 0.000 4.994 2.914) 5.782 5.645 ( 0.000 -3.769 -2.398) 4.467 5.645 ( 0.000 3.769 -2.398) 4.467 6.115 ( 0.000 -14.991 10.932) 18.554 6.115 ( 0.000 14.991 10.932) 18.554 6.512 ( 0.000 -2.436 10.176) 10.464 6.512 ( 0.000 2.436 10.176) 10.464 6.643 ( 0.000 -15.896 -2.503) 16.092 6.643 ( 0.000 15.896 -2.503) 16.092 6.933 ( 0.000 -4.676 -7.444) 8.791 6.933 ( 0.000 4.676 -7.444) 8.791 7.250 ( 0.000 -18.122 -0.034) 18.122 7.250 ( 0.000 18.122 -0.034) 18.122 7.453 ( 0.000 -12.893 0.422) 12.900 7.453 ( 0.000 12.893 0.422) 12.900 7.874 ( 0.000 -4.101 14.924) 15.477 7.874 ( 0.000 4.101 14.924) 15.477 8.060 ( 0.000 -2.454 -1.774) 3.028 8.060 ( 0.000 2.454 -1.774) 3.028 8.389 ( 0.000 -17.025 5.759) 17.972 8.389 ( 0.000 17.025 5.759) 17.972 8.493 ( 0.000 -6.014 -0.489) 6.034 8.493 ( 0.000 6.014 -0.489) 6.034 8.585 ( 0.000 -4.370 8.174) 9.268 8.585 ( 0.000 4.370 8.174) 9.269 8.709 ( 0.000 -4.102 -1.545) 4.383 8.709 ( 0.000 4.102 -1.545) 4.383 9.399 ( 0.000 -9.705 -18.110) 20.547 9.399 ( 0.000 9.705 -18.110) 20.547 9.677 ( 0.000 -1.678 -1.015) 1.962 9.677 ( 0.000 1.678 -1.015) 1.962 10.368 ( 0.000 -4.680 -6.836) 8.285 10.368 ( 0.000 4.680 -6.836) 8.285 11.118 ( 0.000 -4.608 -0.550) 4.641 11.118 ( 0.000 4.608 -0.550) 4.641 11.561 ( 0.000 -10.011 0.545) 10.026 11.561 ( 0.000 10.011 0.545) 10.026 12.414 ( 0.000 -13.674 2.699) 13.938 12.414 ( 0.000 13.674 2.699) 13.938 12.519 ( 0.000 -5.896 -3.850) 7.041 12.519 ( 0.000 5.896 -3.850) 7.041 12.774 ( 0.000 -3.970 -1.849) 4.379 12.774 ( 0.000 3.970 -1.849) 4.379 13.329 ( 0.000 -1.690 0.821) 1.879 13.329 ( 0.000 1.690 0.821) 1.879 13.749 ( 0.000 -7.877 -1.696) 8.058 13.749 ( 0.000 7.877 -1.696) 8.058 13.860 ( 0.000 -2.035 2.487) 3.214 13.860 ( 0.000 2.035 2.487) 3.214 14.548 ( 0.000 -0.242 21.279) 21.280 14.548 ( 0.000 0.242 21.279) 21.280 14.859 ( 0.000 -1.359 2.653) 2.981 14.859 ( 0.000 1.359 2.653) 2.981 14.954 ( 0.000 -4.098 -16.068) 16.582 14.954 ( 0.000 4.098 -16.068) 16.582 15.453 ( 0.000 -5.242 -1.930) 5.586 15.453 ( 0.000 5.242 -1.930) 5.586 15.989 ( 0.000 -11.120 5.494) 12.403 15.989 ( 0.000 11.120 5.494) 12.403 16.149 ( 0.000 -6.298 -2.539) 6.790 16.149 ( 0.000 6.298 -2.539) 6.790 16.540 ( 0.000 -14.104 -1.124) 14.149 16.540 ( 0.000 14.104 -1.124) 14.149 17.140 ( 0.000 -12.942 0.154) 12.943 17.140 ( 0.000 12.942 0.154) 12.943 18.238 ( 0.000 -6.421 8.146) 10.372 18.238 ( 0.000 6.421 8.146) 10.372 18.736 ( 0.000 -9.856 -4.492) 10.832 18.736 ( 0.000 9.856 -4.492) 10.832 19.457 ( 0.000 -5.388 2.110) 5.786 19.457 ( 0.000 5.388 2.110) 5.786 19.514 ( 0.000 -3.589 4.880) 6.057 19.514 ( 0.000 3.589 4.880) 6.057 20.508 ( 0.000 -12.222 -6.346) 13.772 20.508 ( 0.000 12.222 -6.346) 13.772 20.883 ( 0.000 -7.786 -1.268) 7.888 20.883 ( 0.000 7.786 -1.268) 7.888 21.628 ( 0.000 -0.979 4.316) 4.426 21.628 ( 0.000 0.979 4.316) 4.426 21.804 ( 0.000 -4.323 -4.364) 6.143 21.804 ( 0.000 4.323 -4.364) 6.143 22.745 ( 0.000 -0.562 -0.969) 1.120 22.745 ( 0.000 0.562 -0.969) 1.120 ======================= Grid point 219 (78/80) ======================= q-point: ( 0.14 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.440 ( -4.549 -8.274 22.421) 24.328 3.440 ( -4.549 8.274 22.421) 24.328 3.937 ( -1.617 -8.523 -6.610) 10.906 3.937 ( -1.617 8.523 -6.610) 10.906 4.044 ( 1.286 -10.173 -3.896) 10.970 4.044 ( 1.286 10.173 -3.896) 10.970 4.481 ( -4.125 -9.531 -3.566) 10.981 4.481 ( -4.125 9.531 -3.566) 10.981 4.743 ( -0.419 -7.011 5.065) 8.660 4.743 ( -0.419 7.011 5.065) 8.660 4.966 ( -2.748 -5.020 -13.443) 14.610 4.966 ( -2.748 5.020 -13.443) 14.610 5.509 ( -9.101 -5.513 1.680) 10.772 5.509 ( -9.101 5.513 1.680) 10.772 5.643 ( 3.138 -2.620 2.822) 4.967 5.643 ( 3.138 2.620 2.822) 4.967 6.195 ( 5.894 -8.567 8.190) 13.237 6.195 ( 5.894 8.567 8.190) 13.237 6.563 ( 3.560 -3.116 8.834) 10.021 6.563 ( 3.560 3.116 8.834) 10.021 6.689 ( 5.203 -7.984 -3.049) 10.005 6.689 ( 5.203 7.984 -3.049) 10.005 6.927 ( 1.255 -4.501 -3.664) 5.938 6.927 ( 1.255 4.501 -3.664) 5.938 7.291 ( 2.266 -16.886 1.580) 17.110 7.291 ( 2.266 16.886 1.580) 17.110 7.441 ( -0.911 -13.023 -2.046) 13.215 7.441 ( -0.911 13.023 -2.046) 13.215 7.917 ( 3.000 -4.986 13.418) 14.626 7.917 ( 3.000 4.986 13.418) 14.626 8.030 ( -1.473 -3.950 1.250) 4.397 8.030 ( -1.473 3.950 1.250) 4.397 8.385 ( -1.505 -9.280 5.282) 10.784 8.385 ( -1.505 9.280 5.282) 10.784 8.456 ( -2.809 -8.090 -0.685) 8.591 8.456 ( -2.809 8.090 -0.685) 8.591 8.621 ( 3.480 -2.491 9.710) 10.611 8.621 ( 3.480 2.491 9.710) 10.611 8.730 ( 2.037 -3.208 -2.312) 4.448 8.730 ( 2.037 3.208 -2.312) 4.448 9.333 ( -5.671 -8.069 -18.422) 20.896 9.333 ( -5.671 8.069 -18.422) 20.896 9.734 ( 4.704 -0.966 -3.356) 5.859 9.734 ( 4.704 0.966 -3.356) 5.859 10.328 ( -3.408 -9.399 -5.800) 11.558 10.328 ( -3.408 9.399 -5.800) 11.558 10.977 ( -11.305 -9.478 -0.430) 14.759 10.977 ( -11.305 9.478 -0.430) 14.759 11.712 ( 12.112 -10.117 0.082) 15.782 11.712 ( 12.112 10.117 0.082) 15.782 12.407 ( -0.565 -12.770 2.201) 12.971 12.407 ( -0.565 12.770 2.201) 12.971 12.525 ( 0.496 -8.042 -3.309) 8.710 12.525 ( 0.496 8.042 -3.309) 8.710 12.745 ( -2.924 -5.102 -1.822) 6.157 12.745 ( -2.924 5.102 -1.822) 6.157 13.379 ( 4.951 -2.806 0.975) 5.773 13.379 ( 4.951 2.806 0.975) 5.773 13.751 ( 0.188 -7.061 -1.342) 7.190 13.751 ( 0.188 7.061 -1.342) 7.190 13.854 ( -0.652 -2.126 2.412) 3.280 13.854 ( -0.652 2.126 2.412) 3.280 14.555 ( 0.602 -0.435 20.815) 20.828 14.555 ( 0.602 0.435 20.815) 20.828 14.858 ( 0.029 -2.545 1.887) 3.168 14.858 ( 0.029 2.545 1.887) 3.168 14.946 ( -0.713 -4.636 -15.076) 15.789 14.946 ( -0.713 4.636 -15.076) 15.789 15.469 ( 1.438 -5.733 -2.142) 6.287 15.469 ( 1.438 5.733 -2.142) 6.287 15.907 ( -10.853 -4.111 4.838) 12.574 15.907 ( -10.853 4.111 4.838) 12.574 16.010 ( -7.416 -10.112 -2.340) 12.756 16.010 ( -7.416 10.112 -2.340) 12.756 16.657 ( 8.250 -11.379 -0.751) 14.075 16.657 ( 8.250 11.379 -0.751) 14.075 17.224 ( 8.198 -13.019 -0.048) 15.385 17.224 ( 8.198 13.019 -0.048) 15.385 18.292 ( 4.738 -4.513 10.471) 12.348 18.292 ( 4.738 4.513 10.471) 12.348 18.654 ( -7.481 -9.969 -6.748) 14.173 18.654 ( -7.481 9.969 -6.748) 14.173 19.377 ( -5.832 -5.528 2.929) 8.553 19.377 ( -5.832 5.528 2.929) 8.553 19.556 ( 2.018 -3.015 4.178) 5.533 19.556 ( 2.018 3.015 4.178) 5.533 20.521 ( 1.054 -9.024 -5.882) 10.823 20.521 ( 1.054 9.024 -5.882) 10.823 20.962 ( 7.775 -8.297 -1.410) 11.458 20.962 ( 7.775 8.297 -1.410) 11.458 21.621 ( -0.769 -0.821 4.598) 4.734 21.621 ( -0.769 0.821 4.598) 4.734 21.775 ( -2.700 -3.405 -4.565) 6.302 21.775 ( -2.700 3.405 -4.565) 6.302 22.721 ( -2.328 -0.793 -1.139) 2.711 22.721 ( -2.328 0.793 -1.139) 2.711 ======================= Grid point 221 (79/80) ======================= q-point: ( 0.29 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.326 ( -6.318 -4.620 11.418) 13.843 3.326 ( -6.318 4.620 11.418) 13.843 3.922 ( 1.013 -5.859 -6.990) 9.177 3.922 ( 1.013 5.859 -6.990) 9.177 4.085 ( 2.096 -10.579 5.365) 12.045 4.085 ( 2.096 10.579 5.365) 12.045 4.361 ( -7.479 -5.421 -1.071) 9.299 4.361 ( -7.479 5.421 -1.071) 9.299 4.659 ( -7.259 -4.611 1.004) 8.658 4.659 ( -7.259 4.611 1.004) 8.658 4.985 ( 4.158 -8.039 -11.469) 14.610 4.985 ( 4.158 8.039 -11.469) 14.610 5.339 ( -7.253 -9.476 -0.654) 11.951 5.339 ( -7.253 9.476 -0.654) 11.951 5.717 ( 3.763 -2.593 5.970) 7.518 5.717 ( 3.763 2.593 5.970) 7.518 6.259 ( 0.491 -3.479 6.163) 7.094 6.259 ( 0.491 3.479 6.163) 7.094 6.642 ( 4.570 -6.504 4.578) 9.173 6.642 ( 4.570 6.504 4.578) 9.173 6.837 ( 9.075 -1.841 -4.116) 10.134 6.837 ( 9.075 1.841 -4.116) 10.134 7.000 ( 4.609 -8.315 3.534) 10.143 7.000 ( 4.609 8.315 3.534) 10.143 7.301 ( -0.560 -11.513 4.680) 12.440 7.301 ( -0.560 11.513 4.680) 12.440 7.424 ( -0.631 -12.462 -4.510) 13.268 7.424 ( -0.631 12.462 -4.510) 13.268 7.909 ( -2.391 -2.331 4.851) 5.890 7.909 ( -2.391 2.331 4.851) 5.890 8.077 ( 3.526 -2.033 12.552) 13.196 8.077 ( 3.526 2.033 12.552) 13.196 8.294 ( -5.495 -1.371 1.499) 5.859 8.294 ( -5.495 1.371 1.499) 5.859 8.430 ( -0.716 -7.916 5.898) 9.898 8.430 ( -0.716 7.916 5.898) 9.898 8.699 ( 3.732 -1.891 8.930) 9.861 8.699 ( 3.732 1.891 8.930) 9.861 8.793 ( 4.598 -3.201 -3.918) 6.837 8.793 ( 4.598 3.201 -3.918) 6.837 9.206 ( -6.991 -6.315 -21.158) 23.160 9.206 ( -6.991 6.315 -21.158) 23.160 9.826 ( 4.234 -0.588 -6.790) 8.024 9.826 ( 4.234 0.588 -6.790) 8.024 10.275 ( -0.937 -13.764 -3.098) 14.140 10.275 ( -0.937 13.764 -3.098) 14.140 10.739 ( -12.518 -12.327 -0.901) 17.592 10.739 ( -12.518 12.327 -0.901) 17.592 11.954 ( 11.723 -9.489 -0.242) 15.084 11.954 ( 11.723 9.489 -0.242) 15.084 12.399 ( -0.246 -9.969 1.978) 10.167 12.399 ( -0.246 9.969 1.978) 10.167 12.531 ( 0.085 -8.225 -2.769) 8.679 12.531 ( 0.085 8.225 -2.769) 8.679 12.667 ( -4.801 -6.289 -2.003) 8.161 12.667 ( -4.801 6.289 -2.003) 8.161 13.504 ( 7.260 -3.190 1.555) 8.081 13.504 ( 7.260 3.190 1.555) 8.081 13.754 ( 0.113 -4.481 -0.217) 4.487 13.754 ( 0.113 4.481 -0.217) 4.487 13.832 ( -1.575 -2.651 1.597) 3.472 13.832 ( -1.575 2.651 1.597) 3.472 14.568 ( 0.579 -1.007 19.603) 19.638 14.568 ( 0.579 1.007 19.603) 19.638 14.868 ( 1.114 -5.642 -1.552) 5.957 14.868 ( 1.114 5.642 -1.552) 5.957 14.936 ( 0.077 -5.943 -10.625) 12.174 14.936 ( 0.077 5.943 -10.625) 12.174 15.495 ( -0.018 -5.359 -0.688) 5.403 15.495 ( -0.018 5.359 -0.688) 5.403 15.627 ( -13.722 -1.977 -2.789) 14.142 15.627 ( -13.722 1.977 -2.789) 14.142 15.911 ( -4.018 -8.548 2.641) 9.808 15.911 ( -4.018 8.548 2.641) 9.808 16.796 ( 5.515 -8.661 -0.539) 10.283 16.796 ( 5.515 8.661 -0.539) 10.283 17.438 ( 13.179 -14.252 -0.244) 19.413 17.438 ( 13.179 14.252 -0.244) 19.413 18.308 ( -7.854 -11.934 10.804) 17.912 18.308 ( -7.854 11.934 10.804) 17.912 18.566 ( 3.201 -6.009 -6.346) 9.307 18.566 ( 3.201 6.009 -6.346) 9.307 19.253 ( -6.546 -8.973 2.320) 11.346 19.253 ( -6.546 8.973 2.320) 11.346 19.577 ( 0.215 -3.192 4.396) 5.437 19.577 ( 0.215 3.192 4.396) 5.437 20.539 ( 0.741 -4.452 -5.269) 6.937 20.539 ( 0.741 4.452 -5.269) 6.937 21.154 ( 10.785 -6.915 -1.199) 12.868 21.154 ( 10.785 6.915 -1.199) 12.868 21.599 ( -1.416 -0.745 4.527) 4.802 21.599 ( -1.416 0.745 4.527) 4.802 21.710 ( -3.753 -1.427 -4.458) 6.000 21.710 ( -3.753 1.427 -4.458) 6.000 22.662 ( -3.345 -0.984 -1.591) 3.832 22.662 ( -3.345 0.984 -1.591) 3.832 ======================= Grid point 223 (80/80) ======================= q-point: ( 0.43 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.229 ( -2.890 -1.478 3.616) 4.859 3.229 ( -2.890 1.478 3.616) 4.859 3.985 ( 5.064 -4.341 0.717) 6.709 3.985 ( 5.064 4.341 0.717) 6.709 4.087 ( -3.103 -6.214 6.683) 9.638 4.087 ( -3.103 6.214 6.683) 9.638 4.237 ( -3.449 -0.573 -6.919) 7.752 4.237 ( -3.449 0.573 -6.919) 7.752 4.534 ( -4.008 -2.075 1.946) 4.915 4.534 ( -4.008 2.075 1.946) 4.915 5.078 ( 4.385 -8.222 -7.579) 12.012 5.078 ( 4.385 8.222 -7.579) 12.012 5.226 ( -4.394 -9.048 -2.331) 10.325 5.226 ( -4.394 9.048 -2.331) 10.325 5.773 ( 1.590 -1.551 3.925) 4.510 5.773 ( 1.590 1.551 3.925) 4.510 6.252 ( -0.434 -2.690 8.790) 9.203 6.252 ( -0.434 2.690 8.790) 9.203 6.734 ( 3.926 -3.780 2.310) 5.919 6.734 ( 3.926 3.780 2.310) 5.919 6.962 ( 2.688 -1.844 -2.601) 4.170 6.962 ( 2.688 1.844 -2.601) 4.170 7.046 ( -0.152 -5.037 -2.472) 5.613 7.046 ( -0.152 5.037 -2.472) 5.613 7.286 ( -0.677 -4.352 8.083) 9.205 7.286 ( -0.677 4.352 8.083) 9.205 7.468 ( 4.758 -6.339 -0.279) 7.931 7.468 ( 4.758 6.339 -0.279) 7.931 7.857 ( -3.046 -3.283 8.701) 9.785 7.857 ( -3.046 3.283 8.701) 9.785 8.047 ( -3.734 -3.348 -3.069) 5.880 8.047 ( -3.734 3.348 -3.069) 5.880 8.283 ( 2.521 -2.645 22.426) 22.721 8.283 ( 2.521 2.645 22.426) 22.721 8.409 ( -1.238 -2.916 2.448) 4.003 8.409 ( -1.238 2.916 2.448) 4.003 8.751 ( 1.505 -1.378 8.322) 8.569 8.751 ( 1.505 1.378 8.322) 8.569 8.896 ( 5.000 -3.908 -6.512) 9.093 8.896 ( 5.000 3.908 -6.512) 9.093 9.074 ( -5.795 -4.144 -24.260) 25.285 9.074 ( -5.795 4.144 -24.260) 25.285 9.884 ( 1.493 -0.149 -8.770) 8.898 9.884 ( 1.493 0.149 -8.770) 8.898 10.319 ( 5.374 -13.720 -1.123) 14.777 10.319 ( 5.374 13.720 -1.123) 14.777 10.508 ( -10.402 -12.847 -1.510) 16.599 10.508 ( -10.402 12.847 -1.510) 16.599 12.139 ( 6.088 -5.468 -0.647) 8.209 12.139 ( 6.088 5.468 -0.647) 8.209 12.392 ( -0.488 -3.684 3.258) 4.942 12.392 ( -0.488 3.684 3.258) 4.942 12.532 ( 0.118 -4.659 -2.913) 5.496 12.532 ( 0.118 4.659 -2.913) 5.496 12.578 ( -3.363 -4.255 -2.735) 6.074 12.578 ( -3.363 4.255 -2.735) 6.074 13.634 ( 5.059 -2.100 2.663) 6.091 13.634 ( 5.059 2.100 2.663) 6.091 13.751 ( -0.597 -0.310 3.545) 3.608 13.751 ( -0.597 0.310 3.545) 3.608 13.795 ( -1.779 -1.602 -2.703) 3.611 13.795 ( -1.779 1.602 -2.703) 3.611 14.575 ( 0.174 -0.509 18.380) 18.388 14.575 ( 0.174 0.509 18.380) 18.388 14.888 ( 0.465 -3.371 -10.942) 11.459 14.888 ( 0.465 3.371 -10.942) 11.459 14.966 ( 2.677 -3.212 1.489) 4.438 14.966 ( 2.677 3.212 1.489) 4.438 15.340 ( -8.717 -1.396 -0.514) 8.843 15.340 ( -8.717 1.396 -0.514) 8.843 15.554 ( 0.691 -2.356 -7.381) 7.779 15.554 ( 0.691 2.356 -7.381) 7.779 15.852 ( -1.766 -3.337 4.718) 6.043 15.852 ( -1.766 3.337 4.718) 6.043 16.868 ( 1.849 -3.416 -0.545) 3.923 16.868 ( 1.849 3.416 -0.545) 3.923 17.712 ( 13.666 -14.400 0.079) 19.853 17.712 ( 13.666 14.400 0.079) 19.853 18.066 ( -13.439 -15.152 2.843) 20.452 18.066 ( -13.439 15.152 2.843) 20.452 18.684 ( 5.187 -6.101 3.387) 8.695 18.684 ( 5.187 6.101 3.387) 8.695 19.139 ( -4.147 -6.686 0.200) 7.871 19.139 ( -4.147 6.686 0.200) 7.871 19.574 ( -0.273 -1.528 4.666) 4.917 19.574 ( -0.273 1.528 4.666) 4.917 20.549 ( 0.245 -1.305 -5.010) 5.184 20.549 ( 0.245 1.305 -5.010) 5.184 21.335 ( 6.196 -3.055 0.318) 6.915 21.335 ( 6.196 3.055 0.318) 6.915 21.579 ( -0.031 -0.567 0.696) 0.898 21.579 ( -0.031 0.567 0.696) 0.898 21.635 ( -3.551 -0.175 -1.685) 3.934 21.635 ( -3.551 0.175 -1.685) 3.934 22.608 ( -1.703 -0.499 -2.058) 2.717 22.608 ( -1.703 0.499 -2.058) 2.717 =================== 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 3/36288 10.0 1657.147 1326.502 1924.672 0.000 0.000 0.000 3/36288 20.0 1430.564 1154.944 1444.528 0.000 0.000 0.000 3/36288 30.0 577.209 562.185 654.929 0.000 0.000 0.000 3/36288 40.0 268.704 315.798 343.727 0.000 0.000 0.000 3/36288 50.0 146.804 191.732 199.858 0.000 0.000 0.000 3/36288 60.0 91.628 127.145 129.641 0.000 0.000 0.000 3/36288 70.0 63.218 91.130 91.846 0.000 0.000 0.000 3/36288 80.0 46.913 69.332 69.440 0.000 0.000 0.000 3/36288 90.0 36.702 55.140 55.042 0.000 0.000 0.000 3/36288 100.0 29.854 45.340 45.183 0.000 0.000 0.000 3/36288 110.0 25.007 38.250 38.090 0.000 0.000 0.000 3/36288 120.0 21.429 32.928 32.785 0.000 0.000 0.000 3/36288 130.0 18.697 28.815 28.693 0.000 0.000 0.000 3/36288 140.0 16.553 25.559 25.458 0.000 0.000 0.000 3/36288 150.0 14.832 22.929 22.847 0.000 0.000 0.000 3/36288 160.0 13.424 20.770 20.703 0.000 0.000 0.000 3/36288 170.0 12.254 18.969 18.915 0.000 0.000 0.000 3/36288 180.0 11.268 17.450 17.405 0.000 0.000 0.000 3/36288 190.0 10.427 16.152 16.116 0.000 0.000 0.000 3/36288 200.0 9.702 15.033 15.003 0.000 0.000 0.000 3/36288 210.0 9.072 14.060 14.035 0.000 0.000 0.000 3/36288 220.0 8.518 13.206 13.184 0.000 0.000 0.000 3/36288 230.0 8.029 12.451 12.432 0.000 0.000 0.000 3/36288 240.0 7.594 11.780 11.763 0.000 0.000 0.000 3/36288 250.0 7.204 11.179 11.163 0.000 0.000 0.000 3/36288 260.0 6.854 10.638 10.623 0.000 0.000 0.000 3/36288 270.0 6.536 10.149 10.135 0.000 0.000 0.000 3/36288 280.0 6.247 9.704 9.690 0.000 0.000 0.000 3/36288 290.0 5.984 9.298 9.285 0.000 0.000 0.000 3/36288 300.0 5.742 8.926 8.913 0.000 0.000 0.000 3/36288 310.0 5.520 8.583 8.570 0.000 0.000 0.000 3/36288 320.0 5.315 8.267 8.254 0.000 0.000 0.000 3/36288 330.0 5.125 7.974 7.961 0.000 0.000 0.000 3/36288 340.0 4.948 7.703 7.689 0.000 0.000 0.000 3/36288 350.0 4.784 7.449 7.436 0.000 0.000 0.000 3/36288 360.0 4.631 7.213 7.200 0.000 0.000 0.000 3/36288 370.0 4.487 6.992 6.978 0.000 0.000 0.000 3/36288 380.0 4.353 6.784 6.770 0.000 0.000 0.000 3/36288 390.0 4.226 6.589 6.575 0.000 0.000 0.000 3/36288 400.0 4.107 6.405 6.391 0.000 0.000 0.000 3/36288 410.0 3.995 6.232 6.218 0.000 0.000 0.000 3/36288 420.0 3.888 6.068 6.054 0.000 0.000 0.000 3/36288 430.0 3.788 5.913 5.898 0.000 0.000 0.000 3/36288 440.0 3.693 5.766 5.751 0.000 0.000 0.000 3/36288 450.0 3.602 5.626 5.611 0.000 0.000 0.000 3/36288 460.0 3.516 5.493 5.478 0.000 0.000 0.000 3/36288 470.0 3.434 5.366 5.352 0.000 0.000 0.000 3/36288 480.0 3.356 5.246 5.231 0.000 0.000 0.000 3/36288 490.0 3.282 5.130 5.116 0.000 0.000 0.000 3/36288 500.0 3.211 5.020 5.006 0.000 0.000 0.000 3/36288 510.0 3.143 4.915 4.900 0.000 0.000 0.000 3/36288 520.0 3.078 4.814 4.799 0.000 0.000 0.000 3/36288 530.0 3.015 4.717 4.703 0.000 0.000 0.000 3/36288 540.0 2.955 4.624 4.610 0.000 0.000 0.000 3/36288 550.0 2.898 4.535 4.521 0.000 0.000 0.000 3/36288 560.0 2.843 4.450 4.435 0.000 0.000 0.000 3/36288 570.0 2.790 4.367 4.353 0.000 0.000 0.000 3/36288 580.0 2.739 4.288 4.274 0.000 0.000 0.000 3/36288 590.0 2.689 4.212 4.197 0.000 0.000 0.000 3/36288 600.0 2.642 4.138 4.124 0.000 0.000 0.000 3/36288 610.0 2.596 4.067 4.053 0.000 0.000 0.000 3/36288 620.0 2.552 3.998 3.984 0.000 0.000 0.000 3/36288 630.0 2.509 3.932 3.918 0.000 0.000 0.000 3/36288 640.0 2.468 3.868 3.854 0.000 0.000 0.000 3/36288 650.0 2.428 3.806 3.792 0.000 0.000 0.000 3/36288 660.0 2.390 3.746 3.732 0.000 0.000 0.000 3/36288 670.0 2.352 3.688 3.674 0.000 0.000 0.000 3/36288 680.0 2.316 3.631 3.618 0.000 0.000 0.000 3/36288 690.0 2.281 3.577 3.563 0.000 0.000 0.000 3/36288 700.0 2.247 3.524 3.511 0.000 0.000 0.000 3/36288 710.0 2.214 3.473 3.459 0.000 0.000 0.000 3/36288 720.0 2.182 3.423 3.410 0.000 0.000 0.000 3/36288 730.0 2.151 3.374 3.361 0.000 0.000 0.000 3/36288 740.0 2.121 3.327 3.314 0.000 0.000 0.000 3/36288 750.0 2.092 3.282 3.269 0.000 0.000 0.000 3/36288 760.0 2.063 3.237 3.224 0.000 0.000 0.000 3/36288 770.0 2.035 3.194 3.181 0.000 0.000 0.000 3/36288 780.0 2.008 3.152 3.139 0.000 0.000 0.000 3/36288 790.0 1.982 3.111 3.098 0.000 0.000 0.000 3/36288 800.0 1.956 3.071 3.058 0.000 0.000 0.000 3/36288 810.0 1.932 3.032 3.020 0.000 0.000 0.000 3/36288 820.0 1.907 2.994 2.982 0.000 0.000 0.000 3/36288 830.0 1.884 2.957 2.945 0.000 0.000 0.000 3/36288 840.0 1.861 2.921 2.909 0.000 0.000 0.000 3/36288 850.0 1.838 2.886 2.874 0.000 0.000 0.000 3/36288 860.0 1.816 2.852 2.840 0.000 0.000 0.000 3/36288 870.0 1.795 2.818 2.806 0.000 0.000 0.000 3/36288 880.0 1.774 2.785 2.774 0.000 0.000 0.000 3/36288 890.0 1.753 2.754 2.742 0.000 0.000 0.000 3/36288 900.0 1.733 2.722 2.711 0.000 0.000 0.000 3/36288 910.0 1.714 2.692 2.680 0.000 0.000 0.000 3/36288 920.0 1.695 2.662 2.651 0.000 0.000 0.000 3/36288 930.0 1.676 2.633 2.621 0.000 0.000 0.000 3/36288 940.0 1.658 2.604 2.593 0.000 0.000 0.000 3/36288 950.0 1.640 2.576 2.565 0.000 0.000 0.000 3/36288 960.0 1.622 2.549 2.538 0.000 0.000 0.000 3/36288 970.0 1.605 2.522 2.511 0.000 0.000 0.000 3/36288 980.0 1.589 2.496 2.485 0.000 0.000 0.000 3/36288 990.0 1.572 2.471 2.460 0.000 0.000 0.000 3/36288 1000.0 1.556 2.445 2.435 0.000 0.000 0.000 3/36288 Thermal conductivity related properties were written into "kappa-m769.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:13:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|