----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 03:27:34]------------------------- 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: [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.294354240000001 0.000000000000000 0.000000000000000 b 0.000000000000000 3.664555660000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.191808410000000 Atomic positions (fractional): *1 O 0.76341678161171 0.25000000000000 0.38398790510994 15.999 2 O 0.23658321838829 0.75000000000000 0.61601209489006 15.999 3 O 0.26341678161171 0.25000000000000 0.11601209489006 15.999 4 O 0.73658321838829 0.75000000000000 0.88398790510994 15.999 *5 O 0.00495645870145 0.25000000000000 0.65440086393109 15.999 6 O 0.99504354129855 0.75000000000000 0.34559913606891 15.999 7 O 0.50495645870145 0.25000000000000 0.84559913606891 15.999 8 O 0.49504354129855 0.75000000000000 0.15440086393109 15.999 *9 O 0.75571104087794 0.25000000000000 0.72941623960189 15.999 10 O 0.24428895912206 0.75000000000000 0.27058376039811 15.999 11 O 0.25571104087794 0.25000000000000 0.77058376039811 15.999 12 O 0.74428895912206 0.75000000000000 0.22941623960189 15.999 *13 O 0.50599574094473 0.75000000000000 0.60486119440268 15.999 14 O 0.49400425905527 0.25000000000000 0.39513880559732 15.999 15 O 0.00599574094473 0.75000000000000 0.89513880559732 15.999 16 O 0.99400425905527 0.25000000000000 0.10486119440268 15.999 *17 O 0.77531331083965 0.75000000000000 0.54397077539040 15.999 18 O 0.22468668916035 0.25000000000000 0.45602922460960 15.999 19 O 0.27531331083965 0.75000000000000 0.95602922460960 15.999 20 O 0.72468668916035 0.25000000000000 0.04397077539040 15.999 *21 Ti 0.67329282382199 0.25000000000000 0.88122957522365 47.867 22 Ti 0.32670717617801 0.75000000000000 0.11877042477635 47.867 23 Ti 0.17329282382199 0.25000000000000 0.61877042477635 47.867 24 Ti 0.82670717617801 0.75000000000000 0.38122957522365 47.867 *25 Y 0.63584830383032 0.25000000000000 0.55640072652136 88.906 26 Y 0.36415169616968 0.75000000000000 0.44359927347863 88.906 27 Y 0.13584830383032 0.25000000000000 0.94359927347864 88.906 28 Y 0.86415169616968 0.75000000000000 0.05640072652136 88.906 *29 Y 0.61611691484963 0.25000000000000 0.22393593090819 88.906 30 Y 0.38388308515038 0.75000000000000 0.77606406909181 88.906 31 Y 0.11611691484962 0.25000000000000 0.27606406909181 88.906 32 Y 0.88388308515037 0.75000000000000 0.72393593090819 88.906 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.294354240000001 0.000000000000000 0.000000000000000 b 0.000000000000000 3.664555660000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.191808410000000 Atomic positions (fractional): *1 O 0.76341678161171 0.25000000000000 0.38398790510994 15.999 > 1 2 O 0.23658321838829 0.75000000000000 0.61601209489006 15.999 > 2 3 O 0.26341678161171 0.25000000000000 0.11601209489006 15.999 > 3 4 O 0.73658321838829 0.75000000000000 0.88398790510994 15.999 > 4 *5 O 0.00495645870145 0.25000000000000 0.65440086393109 15.999 > 5 6 O 0.99504354129855 0.75000000000000 0.34559913606891 15.999 > 6 7 O 0.50495645870145 0.25000000000000 0.84559913606891 15.999 > 7 8 O 0.49504354129855 0.75000000000000 0.15440086393109 15.999 > 8 *9 O 0.75571104087794 0.25000000000000 0.72941623960189 15.999 > 9 10 O 0.24428895912206 0.75000000000000 0.27058376039811 15.999 > 10 11 O 0.25571104087794 0.25000000000000 0.77058376039811 15.999 > 11 12 O 0.74428895912206 0.75000000000000 0.22941623960189 15.999 > 12 *13 O 0.50599574094473 0.75000000000000 0.60486119440268 15.999 > 13 14 O 0.49400425905527 0.25000000000000 0.39513880559732 15.999 > 14 15 O 0.00599574094473 0.75000000000000 0.89513880559732 15.999 > 15 16 O 0.99400425905527 0.25000000000000 0.10486119440268 15.999 > 16 *17 O 0.77531331083965 0.75000000000000 0.54397077539040 15.999 > 17 18 O 0.22468668916035 0.25000000000000 0.45602922460960 15.999 > 18 19 O 0.27531331083965 0.75000000000000 0.95602922460960 15.999 > 19 20 O 0.72468668916035 0.25000000000000 0.04397077539040 15.999 > 20 *21 Ti 0.67329282382199 0.25000000000000 0.88122957522365 47.867 > 21 22 Ti 0.32670717617801 0.75000000000000 0.11877042477635 47.867 > 22 23 Ti 0.17329282382199 0.25000000000000 0.61877042477635 47.867 > 23 24 Ti 0.82670717617801 0.75000000000000 0.38122957522365 47.867 > 24 *25 Y 0.63584830383032 0.25000000000000 0.55640072652136 88.906 > 25 26 Y 0.36415169616968 0.75000000000000 0.44359927347863 88.906 > 26 27 Y 0.13584830383032 0.25000000000000 0.94359927347864 88.906 > 27 28 Y 0.86415169616968 0.75000000000000 0.05640072652136 88.906 > 28 *29 Y 0.61611691484963 0.25000000000000 0.22393593090819 88.906 > 29 30 Y 0.38388308515038 0.75000000000000 0.77606406909181 88.906 > 30 31 Y 0.11611691484962 0.25000000000000 0.27606406909181 88.906 > 31 32 Y 0.88388308515037 0.75000000000000 0.72393593090819 88.906 > 32 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.294354240000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.993666980000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.191808410000000 Atomic positions (fractional): *1 O 0.76341678161171 0.08333333333333 0.38398790510994 15.999 > 1 2 O 0.76341678161171 0.41666666666667 0.38398790510994 15.999 > 1 3 O 0.76341678161171 0.75000000000000 0.38398790510994 15.999 > 1 4 O 0.23658321838829 0.25000000000000 0.61601209489006 15.999 > 2 5 O 0.23658321838829 0.58333333333333 0.61601209489006 15.999 > 2 6 O 0.23658321838829 0.91666666666667 0.61601209489006 15.999 > 2 7 O 0.26341678161171 0.08333333333333 0.11601209489006 15.999 > 3 8 O 0.26341678161171 0.41666666666667 0.11601209489006 15.999 > 3 9 O 0.26341678161171 0.75000000000000 0.11601209489006 15.999 > 3 10 O 0.73658321838829 0.25000000000000 0.88398790510994 15.999 > 4 11 O 0.73658321838829 0.58333333333333 0.88398790510994 15.999 > 4 12 O 0.73658321838829 0.91666666666667 0.88398790510994 15.999 > 4 *13 O 0.00495645870145 0.08333333333333 0.65440086393109 15.999 > 5 14 O 0.00495645870145 0.41666666666667 0.65440086393109 15.999 > 5 15 O 0.00495645870145 0.75000000000000 0.65440086393109 15.999 > 5 16 O 0.99504354129855 0.25000000000000 0.34559913606891 15.999 > 6 17 O 0.99504354129855 0.58333333333333 0.34559913606891 15.999 > 6 18 O 0.99504354129855 0.91666666666667 0.34559913606891 15.999 > 6 19 O 0.50495645870145 0.08333333333333 0.84559913606891 15.999 > 7 20 O 0.50495645870145 0.41666666666667 0.84559913606891 15.999 > 7 21 O 0.50495645870145 0.75000000000000 0.84559913606891 15.999 > 7 22 O 0.49504354129855 0.25000000000000 0.15440086393109 15.999 > 8 23 O 0.49504354129855 0.58333333333333 0.15440086393109 15.999 > 8 24 O 0.49504354129855 0.91666666666667 0.15440086393109 15.999 > 8 *25 O 0.75571104087794 0.08333333333333 0.72941623960189 15.999 > 9 26 O 0.75571104087794 0.41666666666667 0.72941623960189 15.999 > 9 27 O 0.75571104087794 0.75000000000000 0.72941623960189 15.999 > 9 28 O 0.24428895912206 0.25000000000000 0.27058376039811 15.999 > 10 29 O 0.24428895912206 0.58333333333333 0.27058376039811 15.999 > 10 30 O 0.24428895912206 0.91666666666667 0.27058376039811 15.999 > 10 31 O 0.25571104087794 0.08333333333333 0.77058376039811 15.999 > 11 32 O 0.25571104087794 0.41666666666667 0.77058376039811 15.999 > 11 33 O 0.25571104087794 0.75000000000000 0.77058376039811 15.999 > 11 34 O 0.74428895912206 0.25000000000000 0.22941623960189 15.999 > 12 35 O 0.74428895912206 0.58333333333333 0.22941623960189 15.999 > 12 36 O 0.74428895912206 0.91666666666667 0.22941623960189 15.999 > 12 *37 O 0.50599574094473 0.25000000000000 0.60486119440268 15.999 > 13 38 O 0.50599574094473 0.58333333333333 0.60486119440268 15.999 > 13 39 O 0.50599574094473 0.91666666666667 0.60486119440268 15.999 > 13 40 O 0.49400425905527 0.08333333333333 0.39513880559732 15.999 > 14 41 O 0.49400425905527 0.41666666666667 0.39513880559732 15.999 > 14 42 O 0.49400425905527 0.75000000000000 0.39513880559732 15.999 > 14 43 O 0.00599574094473 0.25000000000000 0.89513880559732 15.999 > 15 44 O 0.00599574094473 0.58333333333333 0.89513880559732 15.999 > 15 45 O 0.00599574094473 0.91666666666667 0.89513880559732 15.999 > 15 46 O 0.99400425905527 0.08333333333333 0.10486119440268 15.999 > 16 47 O 0.99400425905527 0.41666666666667 0.10486119440268 15.999 > 16 48 O 0.99400425905527 0.75000000000000 0.10486119440268 15.999 > 16 *49 O 0.77531331083965 0.25000000000000 0.54397077539040 15.999 > 17 50 O 0.77531331083965 0.58333333333333 0.54397077539040 15.999 > 17 51 O 0.77531331083965 0.91666666666667 0.54397077539040 15.999 > 17 52 O 0.22468668916035 0.08333333333333 0.45602922460960 15.999 > 18 53 O 0.22468668916035 0.41666666666667 0.45602922460960 15.999 > 18 54 O 0.22468668916035 0.75000000000000 0.45602922460960 15.999 > 18 55 O 0.27531331083965 0.25000000000000 0.95602922460960 15.999 > 19 56 O 0.27531331083965 0.58333333333333 0.95602922460960 15.999 > 19 57 O 0.27531331083965 0.91666666666667 0.95602922460960 15.999 > 19 58 O 0.72468668916035 0.08333333333333 0.04397077539040 15.999 > 20 59 O 0.72468668916035 0.41666666666667 0.04397077539040 15.999 > 20 60 O 0.72468668916035 0.75000000000000 0.04397077539040 15.999 > 20 *61 Ti 0.67329282382199 0.08333333333333 0.88122957522365 47.867 > 21 62 Ti 0.67329282382199 0.41666666666667 0.88122957522365 47.867 > 21 63 Ti 0.67329282382199 0.75000000000000 0.88122957522365 47.867 > 21 64 Ti 0.32670717617801 0.25000000000000 0.11877042477635 47.867 > 22 65 Ti 0.32670717617801 0.58333333333333 0.11877042477635 47.867 > 22 66 Ti 0.32670717617801 0.91666666666667 0.11877042477635 47.867 > 22 67 Ti 0.17329282382199 0.08333333333333 0.61877042477635 47.867 > 23 68 Ti 0.17329282382199 0.41666666666667 0.61877042477635 47.867 > 23 69 Ti 0.17329282382199 0.75000000000000 0.61877042477635 47.867 > 23 70 Ti 0.82670717617801 0.25000000000000 0.38122957522365 47.867 > 24 71 Ti 0.82670717617801 0.58333333333333 0.38122957522365 47.867 > 24 72 Ti 0.82670717617801 0.91666666666667 0.38122957522365 47.867 > 24 *73 Y 0.63584830383032 0.08333333333333 0.55640072652136 88.906 > 25 74 Y 0.63584830383032 0.41666666666667 0.55640072652136 88.906 > 25 75 Y 0.63584830383032 0.75000000000000 0.55640072652136 88.906 > 25 76 Y 0.36415169616968 0.25000000000000 0.44359927347863 88.906 > 26 77 Y 0.36415169616968 0.58333333333333 0.44359927347863 88.906 > 26 78 Y 0.36415169616968 0.91666666666667 0.44359927347863 88.906 > 26 79 Y 0.13584830383032 0.08333333333333 0.94359927347864 88.906 > 27 80 Y 0.13584830383032 0.41666666666667 0.94359927347864 88.906 > 27 81 Y 0.13584830383032 0.75000000000000 0.94359927347864 88.906 > 27 82 Y 0.86415169616968 0.25000000000000 0.05640072652136 88.906 > 28 83 Y 0.86415169616968 0.58333333333333 0.05640072652136 88.906 > 28 84 Y 0.86415169616968 0.91666666666667 0.05640072652136 88.906 > 28 *85 Y 0.61611691484963 0.08333333333333 0.22393593090819 88.906 > 29 86 Y 0.61611691484963 0.41666666666667 0.22393593090819 88.906 > 29 87 Y 0.61611691484963 0.75000000000000 0.22393593090819 88.906 > 29 88 Y 0.38388308515038 0.25000000000000 0.77606406909181 88.906 > 30 89 Y 0.38388308515038 0.58333333333333 0.77606406909181 88.906 > 30 90 Y 0.38388308515038 0.91666666666667 0.77606406909181 88.906 > 30 91 Y 0.11611691484962 0.08333333333333 0.27606406909181 88.906 > 31 92 Y 0.11611691484962 0.41666666666667 0.27606406909181 88.906 > 31 93 Y 0.11611691484962 0.75000000000000 0.27606406909181 88.906 > 31 94 Y 0.88388308515037 0.25000000000000 0.72393593090819 88.906 > 32 95 Y 0.88388308515037 0.58333333333333 0.72393593090819 88.906 > 32 96 Y 0.88388308515037 0.91666666666667 0.72393593090819 88.906 > 32 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.3933386 0.0000000 0.0000000 0.0000000 4.6160460 0.0000000 0.0000000 0.0000000 4.5581366 -------------------------- Born effective charges -------------------------- 1 O -1.5507844 0.0000000 -0.0719637 0.0000000 -4.0831579 0.0000000 0.0979760 0.0000000 -1.7818155 2 O -1.5507844 0.0000000 -0.0719637 0.0000000 -4.0831579 0.0000000 0.0979760 0.0000000 -1.7818155 3 O -1.5507844 0.0000000 0.0719637 0.0000000 -4.0831579 0.0000000 -0.0979760 0.0000000 -1.7818155 4 O -1.5507844 0.0000000 0.0719637 0.0000000 -4.0831579 0.0000000 -0.0979760 0.0000000 -1.7818155 5 O -3.5187246 0.0000000 0.8033636 0.0000000 -1.7829035 0.0000000 0.7920988 0.0000000 -1.2941871 6 O -3.5187246 0.0000000 0.8033636 0.0000000 -1.7829035 0.0000000 0.7920988 0.0000000 -1.2941871 7 O -3.5187246 0.0000000 -0.8033636 0.0000000 -1.7829035 0.0000000 -0.7920988 0.0000000 -1.2941871 8 O -3.5187246 0.0000000 -0.8033636 0.0000000 -1.7829035 0.0000000 -0.7920988 0.0000000 -1.2941871 9 O -2.1715712 0.0000000 0.3431429 0.0000000 -2.3875501 0.0000000 0.3947365 0.0000000 -3.0879253 10 O -2.1715712 0.0000000 0.3431429 0.0000000 -2.3875501 0.0000000 0.3947365 0.0000000 -3.0879253 11 O -2.1715712 0.0000000 -0.3431429 0.0000000 -2.3875501 0.0000000 -0.3947365 0.0000000 -3.0879253 12 O -2.1715712 0.0000000 -0.3431429 0.0000000 -2.3875501 0.0000000 -0.3947365 0.0000000 -3.0879253 13 O -2.4867270 0.0000000 0.0676412 0.0000000 -2.3554312 0.0000000 0.4183113 0.0000000 -2.4994793 14 O -2.4867270 0.0000000 0.0676412 0.0000000 -2.3554312 0.0000000 0.4183113 0.0000000 -2.4994793 15 O -2.4867270 0.0000000 -0.0676412 0.0000000 -2.3554312 0.0000000 -0.4183113 0.0000000 -2.4994793 16 O -2.4867270 0.0000000 -0.0676412 0.0000000 -2.3554312 0.0000000 -0.4183113 0.0000000 -2.4994793 17 O -1.8576328 0.0000000 0.1057021 0.0000000 -2.2530799 0.0000000 0.3345420 0.0000000 -3.6453285 18 O -1.8576328 0.0000000 0.1057021 0.0000000 -2.2530799 0.0000000 0.3345420 0.0000000 -3.6453285 19 O -1.8576328 0.0000000 -0.1057021 0.0000000 -2.2530799 0.0000000 -0.3345420 0.0000000 -3.6453285 20 O -1.8576328 0.0000000 -0.1057021 0.0000000 -2.2530799 0.0000000 -0.3345420 0.0000000 -3.6453285 21 Ti 3.5552570 0.0000000 0.1212005 0.0000000 5.2080387 0.0000000 0.4503519 0.0000000 4.6221004 22 Ti 3.5552570 0.0000000 0.1212005 0.0000000 5.2080387 0.0000000 0.4503519 0.0000000 4.6221004 23 Ti 3.5552570 0.0000000 -0.1212005 0.0000000 5.2080387 0.0000000 -0.4503519 0.0000000 4.6221004 24 Ti 3.5552570 0.0000000 -0.1212005 0.0000000 5.2080387 0.0000000 -0.4503519 0.0000000 4.6221004 25 Y 3.7994748 0.0000000 0.2978624 0.0000000 3.8404724 0.0000000 -0.0670422 0.0000000 3.6285774 26 Y 3.7994748 0.0000000 0.2978624 0.0000000 3.8404724 0.0000000 -0.0670422 0.0000000 3.6285774 27 Y 3.7994748 0.0000000 -0.2978624 0.0000000 3.8404724 0.0000000 0.0670422 0.0000000 3.6285774 28 Y 3.7994748 0.0000000 -0.2978624 0.0000000 3.8404724 0.0000000 0.0670422 0.0000000 3.6285774 29 Y 4.2307081 0.0000000 0.0671198 0.0000000 3.8136115 0.0000000 -0.3935239 0.0000000 4.0580580 30 Y 4.2307081 0.0000000 0.0671198 0.0000000 3.8136115 0.0000000 -0.3935239 0.0000000 4.0580580 31 Y 4.2307081 0.0000000 -0.0671198 0.0000000 3.8136115 0.0000000 0.3935239 0.0000000 4.0580580 32 Y 4.2307081 0.0000000 -0.0671198 0.0000000 3.8136115 0.0000000 0.3935239 0.0000000 4.0580580 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 14064/14064 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1888 Number of blocks in projector: 1888 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: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 234 eigenvectors found. (2) Block: 512 / 512 (2) 246 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 496 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 256 Use standard eigh solver. Tree of FC basis block matrices: - (1888, 1848), data: False |-- (256, 256), data: True |-- (256, 256), data: True |-- (288, 280), data: True |-- (288, 280), data: True |-- (288, 280), data: True |-- (512, 496), data: False |-- (512, 496), data: False |-- (512, 16), data: (512, 32) @ (32, 16) |-- (262, 246), data: True |-- (250, 234), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 480 - Time: 2.531 Solver_block: 200 / 480 - Time: 2.546 Solver_block: 300 / 480 - Time: 2.550 Solver_block: 400 / 480 - Time: 2.549 Solver_block: 480 / 480 - Time: 2.079 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 12.304 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 288/288 Permutation basis: 14064/14064 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1888 Number of blocks in projector: 1888 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: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 234 eigenvectors found. (2) Block: 512 / 512 (2) 246 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 496 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 256 Use standard eigh solver. Tree of FC basis block matrices: - (1888, 1848), data: False |-- (256, 256), data: True |-- (256, 256), data: True |-- (288, 280), data: True |-- (288, 280), data: True |-- (288, 280), data: True |-- (512, 496), data: False |-- (512, 496), data: False |-- (512, 16), data: (512, 32) @ (32, 16) |-- (262, 246), data: True |-- (250, 234), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 03:28:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:28:04]------------------------- 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): [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.294354240000001 0.000000000000000 0.000000000000000 b 0.000000000000000 3.664555660000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.191808410000000 Atomic positions (fractional): 1 O 0.76341678161171 0.25000000000000 0.38398790510994 15.999 2 O 0.23658321838829 0.75000000000000 0.61601209489006 15.999 3 O 0.26341678161171 0.25000000000000 0.11601209489006 15.999 4 O 0.73658321838829 0.75000000000000 0.88398790510994 15.999 5 O 0.00495645870145 0.25000000000000 0.65440086393109 15.999 6 O 0.99504354129855 0.75000000000000 0.34559913606891 15.999 7 O 0.50495645870145 0.25000000000000 0.84559913606891 15.999 8 O 0.49504354129855 0.75000000000000 0.15440086393109 15.999 9 O 0.75571104087794 0.25000000000000 0.72941623960189 15.999 10 O 0.24428895912206 0.75000000000000 0.27058376039811 15.999 11 O 0.25571104087794 0.25000000000000 0.77058376039811 15.999 12 O 0.74428895912206 0.75000000000000 0.22941623960189 15.999 13 O 0.50599574094473 0.75000000000000 0.60486119440268 15.999 14 O 0.49400425905527 0.25000000000000 0.39513880559732 15.999 15 O 0.00599574094473 0.75000000000000 0.89513880559732 15.999 16 O 0.99400425905527 0.25000000000000 0.10486119440268 15.999 17 O 0.77531331083965 0.75000000000000 0.54397077539040 15.999 18 O 0.22468668916035 0.25000000000000 0.45602922460960 15.999 19 O 0.27531331083965 0.75000000000000 0.95602922460960 15.999 20 O 0.72468668916035 0.25000000000000 0.04397077539040 15.999 21 Ti 0.67329282382199 0.25000000000000 0.88122957522365 47.867 22 Ti 0.32670717617801 0.75000000000000 0.11877042477635 47.867 23 Ti 0.17329282382199 0.25000000000000 0.61877042477635 47.867 24 Ti 0.82670717617801 0.75000000000000 0.38122957522365 47.867 25 Y 0.63584830383032 0.25000000000000 0.55640072652136 88.906 26 Y 0.36415169616968 0.75000000000000 0.44359927347863 88.906 27 Y 0.13584830383032 0.25000000000000 0.94359927347864 88.906 28 Y 0.86415169616968 0.75000000000000 0.05640072652136 88.906 29 Y 0.61611691484963 0.25000000000000 0.22393593090819 88.906 30 Y 0.38388308515038 0.75000000000000 0.77606406909181 88.906 31 Y 0.11611691484962 0.25000000000000 0.27606406909181 88.906 32 Y 0.88388308515037 0.75000000000000 0.72393593090819 88.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.294354240000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.993666980000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.191808410000000 Atomic positions (fractional): 1 O 0.76341678161171 0.08333333333333 0.38398790510994 15.999 > 1 2 O 0.76341678161171 0.41666666666667 0.38398790510994 15.999 > 1 3 O 0.76341678161171 0.75000000000000 0.38398790510994 15.999 > 1 4 O 0.23658321838829 0.25000000000000 0.61601209489006 15.999 > 4 5 O 0.23658321838829 0.58333333333333 0.61601209489006 15.999 > 4 6 O 0.23658321838829 0.91666666666667 0.61601209489006 15.999 > 4 7 O 0.26341678161171 0.08333333333333 0.11601209489006 15.999 > 7 8 O 0.26341678161171 0.41666666666667 0.11601209489006 15.999 > 7 9 O 0.26341678161171 0.75000000000000 0.11601209489006 15.999 > 7 10 O 0.73658321838829 0.25000000000000 0.88398790510994 15.999 > 10 11 O 0.73658321838829 0.58333333333333 0.88398790510994 15.999 > 10 12 O 0.73658321838829 0.91666666666667 0.88398790510994 15.999 > 10 13 O 0.00495645870145 0.08333333333333 0.65440086393109 15.999 > 13 14 O 0.00495645870145 0.41666666666667 0.65440086393109 15.999 > 13 15 O 0.00495645870145 0.75000000000000 0.65440086393109 15.999 > 13 16 O 0.99504354129855 0.25000000000000 0.34559913606891 15.999 > 16 17 O 0.99504354129855 0.58333333333333 0.34559913606891 15.999 > 16 18 O 0.99504354129855 0.91666666666667 0.34559913606891 15.999 > 16 19 O 0.50495645870145 0.08333333333333 0.84559913606891 15.999 > 19 20 O 0.50495645870145 0.41666666666667 0.84559913606891 15.999 > 19 21 O 0.50495645870145 0.75000000000000 0.84559913606891 15.999 > 19 22 O 0.49504354129855 0.25000000000000 0.15440086393109 15.999 > 22 23 O 0.49504354129855 0.58333333333333 0.15440086393109 15.999 > 22 24 O 0.49504354129855 0.91666666666667 0.15440086393109 15.999 > 22 25 O 0.75571104087794 0.08333333333333 0.72941623960189 15.999 > 25 26 O 0.75571104087794 0.41666666666667 0.72941623960189 15.999 > 25 27 O 0.75571104087794 0.75000000000000 0.72941623960189 15.999 > 25 28 O 0.24428895912206 0.25000000000000 0.27058376039811 15.999 > 28 29 O 0.24428895912206 0.58333333333333 0.27058376039811 15.999 > 28 30 O 0.24428895912206 0.91666666666667 0.27058376039811 15.999 > 28 31 O 0.25571104087794 0.08333333333333 0.77058376039811 15.999 > 31 32 O 0.25571104087794 0.41666666666667 0.77058376039811 15.999 > 31 33 O 0.25571104087794 0.75000000000000 0.77058376039811 15.999 > 31 34 O 0.74428895912206 0.25000000000000 0.22941623960189 15.999 > 34 35 O 0.74428895912206 0.58333333333333 0.22941623960189 15.999 > 34 36 O 0.74428895912206 0.91666666666667 0.22941623960189 15.999 > 34 37 O 0.50599574094473 0.25000000000000 0.60486119440268 15.999 > 37 38 O 0.50599574094473 0.58333333333333 0.60486119440268 15.999 > 37 39 O 0.50599574094473 0.91666666666667 0.60486119440268 15.999 > 37 40 O 0.49400425905527 0.08333333333333 0.39513880559732 15.999 > 40 41 O 0.49400425905527 0.41666666666667 0.39513880559732 15.999 > 40 42 O 0.49400425905527 0.75000000000000 0.39513880559732 15.999 > 40 43 O 0.00599574094473 0.25000000000000 0.89513880559732 15.999 > 43 44 O 0.00599574094473 0.58333333333333 0.89513880559732 15.999 > 43 45 O 0.00599574094473 0.91666666666667 0.89513880559732 15.999 > 43 46 O 0.99400425905527 0.08333333333333 0.10486119440268 15.999 > 46 47 O 0.99400425905527 0.41666666666667 0.10486119440268 15.999 > 46 48 O 0.99400425905527 0.75000000000000 0.10486119440268 15.999 > 46 49 O 0.77531331083965 0.25000000000000 0.54397077539040 15.999 > 49 50 O 0.77531331083965 0.58333333333333 0.54397077539040 15.999 > 49 51 O 0.77531331083965 0.91666666666667 0.54397077539040 15.999 > 49 52 O 0.22468668916035 0.08333333333333 0.45602922460960 15.999 > 52 53 O 0.22468668916035 0.41666666666667 0.45602922460960 15.999 > 52 54 O 0.22468668916035 0.75000000000000 0.45602922460960 15.999 > 52 55 O 0.27531331083965 0.25000000000000 0.95602922460960 15.999 > 55 56 O 0.27531331083965 0.58333333333333 0.95602922460960 15.999 > 55 57 O 0.27531331083965 0.91666666666667 0.95602922460960 15.999 > 55 58 O 0.72468668916035 0.08333333333333 0.04397077539040 15.999 > 58 59 O 0.72468668916035 0.41666666666667 0.04397077539040 15.999 > 58 60 O 0.72468668916035 0.75000000000000 0.04397077539040 15.999 > 58 61 Ti 0.67329282382199 0.08333333333333 0.88122957522365 47.867 > 61 62 Ti 0.67329282382199 0.41666666666667 0.88122957522365 47.867 > 61 63 Ti 0.67329282382199 0.75000000000000 0.88122957522365 47.867 > 61 64 Ti 0.32670717617801 0.25000000000000 0.11877042477635 47.867 > 64 65 Ti 0.32670717617801 0.58333333333333 0.11877042477635 47.867 > 64 66 Ti 0.32670717617801 0.91666666666667 0.11877042477635 47.867 > 64 67 Ti 0.17329282382199 0.08333333333333 0.61877042477635 47.867 > 67 68 Ti 0.17329282382199 0.41666666666667 0.61877042477635 47.867 > 67 69 Ti 0.17329282382199 0.75000000000000 0.61877042477635 47.867 > 67 70 Ti 0.82670717617801 0.25000000000000 0.38122957522365 47.867 > 70 71 Ti 0.82670717617801 0.58333333333333 0.38122957522365 47.867 > 70 72 Ti 0.82670717617801 0.91666666666667 0.38122957522365 47.867 > 70 73 Y 0.63584830383032 0.08333333333333 0.55640072652136 88.906 > 73 74 Y 0.63584830383032 0.41666666666667 0.55640072652136 88.906 > 73 75 Y 0.63584830383032 0.75000000000000 0.55640072652136 88.906 > 73 76 Y 0.36415169616968 0.25000000000000 0.44359927347863 88.906 > 76 77 Y 0.36415169616968 0.58333333333333 0.44359927347863 88.906 > 76 78 Y 0.36415169616968 0.91666666666667 0.44359927347863 88.906 > 76 79 Y 0.13584830383032 0.08333333333333 0.94359927347864 88.906 > 79 80 Y 0.13584830383032 0.41666666666667 0.94359927347864 88.906 > 79 81 Y 0.13584830383032 0.75000000000000 0.94359927347864 88.906 > 79 82 Y 0.86415169616968 0.25000000000000 0.05640072652136 88.906 > 82 83 Y 0.86415169616968 0.58333333333333 0.05640072652136 88.906 > 82 84 Y 0.86415169616968 0.91666666666667 0.05640072652136 88.906 > 82 85 Y 0.61611691484963 0.08333333333333 0.22393593090819 88.906 > 85 86 Y 0.61611691484963 0.41666666666667 0.22393593090819 88.906 > 85 87 Y 0.61611691484963 0.75000000000000 0.22393593090819 88.906 > 85 88 Y 0.38388308515038 0.25000000000000 0.77606406909181 88.906 > 88 89 Y 0.38388308515038 0.58333333333333 0.77606406909181 88.906 > 88 90 Y 0.38388308515038 0.91666666666667 0.77606406909181 88.906 > 88 91 Y 0.11611691484962 0.08333333333333 0.27606406909181 88.906 > 91 92 Y 0.11611691484962 0.41666666666667 0.27606406909181 88.906 > 91 93 Y 0.11611691484962 0.75000000000000 0.27606406909181 88.906 > 91 94 Y 0.88388308515037 0.25000000000000 0.72393593090819 88.906 > 94 95 Y 0.88388308515037 0.58333333333333 0.72393593090819 88.906 > 94 96 Y 0.88388308515037 0.91666666666667 0.72393593090819 88.906 > 94 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.3933386 0.0000000 0.0000000 0.0000000 4.6160460 0.0000000 0.0000000 0.0000000 4.5581366 -------------------------- Born effective charges -------------------------- 1 O -1.5507844 0.0000000 -0.0719637 0.0000000 -4.0831579 0.0000000 0.0979760 0.0000000 -1.7818155 2 O -1.5507844 0.0000000 -0.0719637 0.0000000 -4.0831579 0.0000000 0.0979760 0.0000000 -1.7818155 3 O -1.5507844 0.0000000 0.0719637 0.0000000 -4.0831579 0.0000000 -0.0979760 0.0000000 -1.7818155 4 O -1.5507844 0.0000000 0.0719637 0.0000000 -4.0831579 0.0000000 -0.0979760 0.0000000 -1.7818155 5 O -3.5187246 0.0000000 0.8033636 0.0000000 -1.7829035 0.0000000 0.7920988 0.0000000 -1.2941871 6 O -3.5187246 0.0000000 0.8033636 0.0000000 -1.7829035 0.0000000 0.7920988 0.0000000 -1.2941871 7 O -3.5187246 0.0000000 -0.8033636 0.0000000 -1.7829035 0.0000000 -0.7920988 0.0000000 -1.2941871 8 O -3.5187246 0.0000000 -0.8033636 0.0000000 -1.7829035 0.0000000 -0.7920988 0.0000000 -1.2941871 9 O -2.1715712 0.0000000 0.3431429 0.0000000 -2.3875501 0.0000000 0.3947365 0.0000000 -3.0879253 10 O -2.1715712 0.0000000 0.3431429 0.0000000 -2.3875501 0.0000000 0.3947365 0.0000000 -3.0879253 11 O -2.1715712 0.0000000 -0.3431429 0.0000000 -2.3875501 0.0000000 -0.3947365 0.0000000 -3.0879253 12 O -2.1715712 0.0000000 -0.3431429 0.0000000 -2.3875501 0.0000000 -0.3947365 0.0000000 -3.0879253 13 O -2.4867270 0.0000000 0.0676412 0.0000000 -2.3554312 0.0000000 0.4183113 0.0000000 -2.4994793 14 O -2.4867270 0.0000000 0.0676412 0.0000000 -2.3554312 0.0000000 0.4183113 0.0000000 -2.4994793 15 O -2.4867270 0.0000000 -0.0676412 0.0000000 -2.3554312 0.0000000 -0.4183113 0.0000000 -2.4994793 16 O -2.4867270 0.0000000 -0.0676412 0.0000000 -2.3554312 0.0000000 -0.4183113 0.0000000 -2.4994793 17 O -1.8576328 0.0000000 0.1057021 0.0000000 -2.2530799 0.0000000 0.3345420 0.0000000 -3.6453285 18 O -1.8576328 0.0000000 0.1057021 0.0000000 -2.2530799 0.0000000 0.3345420 0.0000000 -3.6453285 19 O -1.8576328 0.0000000 -0.1057021 0.0000000 -2.2530799 0.0000000 -0.3345420 0.0000000 -3.6453285 20 O -1.8576328 0.0000000 -0.1057021 0.0000000 -2.2530799 0.0000000 -0.3345420 0.0000000 -3.6453285 21 Ti 3.5552570 0.0000000 0.1212005 0.0000000 5.2080387 0.0000000 0.4503519 0.0000000 4.6221004 22 Ti 3.5552570 0.0000000 0.1212005 0.0000000 5.2080387 0.0000000 0.4503519 0.0000000 4.6221004 23 Ti 3.5552570 0.0000000 -0.1212005 0.0000000 5.2080387 0.0000000 -0.4503519 0.0000000 4.6221004 24 Ti 3.5552570 0.0000000 -0.1212005 0.0000000 5.2080387 0.0000000 -0.4503519 0.0000000 4.6221004 25 Y 3.7994748 0.0000000 0.2978624 0.0000000 3.8404724 0.0000000 -0.0670422 0.0000000 3.6285774 26 Y 3.7994748 0.0000000 0.2978624 0.0000000 3.8404724 0.0000000 -0.0670422 0.0000000 3.6285774 27 Y 3.7994748 0.0000000 -0.2978624 0.0000000 3.8404724 0.0000000 0.0670422 0.0000000 3.6285774 28 Y 3.7994748 0.0000000 -0.2978624 0.0000000 3.8404724 0.0000000 0.0670422 0.0000000 3.6285774 29 Y 4.2307081 0.0000000 0.0671198 0.0000000 3.8136115 0.0000000 -0.3935239 0.0000000 4.0580580 30 Y 4.2307081 0.0000000 0.0671198 0.0000000 3.8136115 0.0000000 -0.3935239 0.0000000 4.0580580 31 Y 4.2307081 0.0000000 -0.0671198 0.0000000 3.8136115 0.0000000 0.3935239 0.0000000 4.0580580 32 Y 4.2307081 0.0000000 -0.0671198 0.0000000 3.8136115 0.0000000 0.3935239 0.0000000 4.0580580 ---------------------------------------------------------------------------- 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[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, 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[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 85, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:28:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:28:27]------------------------- 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): [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.294354240000001 0.000000000000000 0.000000000000000 b 0.000000000000000 3.664555660000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.191808410000000 Atomic positions (fractional): 1 O 0.76341678161171 0.25000000000000 0.38398790510994 15.999 2 O 0.23658321838829 0.75000000000000 0.61601209489006 15.999 3 O 0.26341678161171 0.25000000000000 0.11601209489006 15.999 4 O 0.73658321838829 0.75000000000000 0.88398790510994 15.999 5 O 0.00495645870145 0.25000000000000 0.65440086393109 15.999 6 O 0.99504354129855 0.75000000000000 0.34559913606891 15.999 7 O 0.50495645870145 0.25000000000000 0.84559913606891 15.999 8 O 0.49504354129855 0.75000000000000 0.15440086393109 15.999 9 O 0.75571104087794 0.25000000000000 0.72941623960189 15.999 10 O 0.24428895912206 0.75000000000000 0.27058376039811 15.999 11 O 0.25571104087794 0.25000000000000 0.77058376039811 15.999 12 O 0.74428895912206 0.75000000000000 0.22941623960189 15.999 13 O 0.50599574094473 0.75000000000000 0.60486119440268 15.999 14 O 0.49400425905527 0.25000000000000 0.39513880559732 15.999 15 O 0.00599574094473 0.75000000000000 0.89513880559732 15.999 16 O 0.99400425905527 0.25000000000000 0.10486119440268 15.999 17 O 0.77531331083965 0.75000000000000 0.54397077539040 15.999 18 O 0.22468668916035 0.25000000000000 0.45602922460960 15.999 19 O 0.27531331083965 0.75000000000000 0.95602922460960 15.999 20 O 0.72468668916035 0.25000000000000 0.04397077539040 15.999 21 Ti 0.67329282382199 0.25000000000000 0.88122957522365 47.867 22 Ti 0.32670717617801 0.75000000000000 0.11877042477635 47.867 23 Ti 0.17329282382199 0.25000000000000 0.61877042477635 47.867 24 Ti 0.82670717617801 0.75000000000000 0.38122957522365 47.867 25 Y 0.63584830383032 0.25000000000000 0.55640072652136 88.906 26 Y 0.36415169616968 0.75000000000000 0.44359927347863 88.906 27 Y 0.13584830383032 0.25000000000000 0.94359927347864 88.906 28 Y 0.86415169616968 0.75000000000000 0.05640072652136 88.906 29 Y 0.61611691484963 0.25000000000000 0.22393593090819 88.906 30 Y 0.38388308515038 0.75000000000000 0.77606406909181 88.906 31 Y 0.11611691484962 0.25000000000000 0.27606406909181 88.906 32 Y 0.88388308515037 0.75000000000000 0.72393593090819 88.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.294354240000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.993666980000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.191808410000000 Atomic positions (fractional): 1 O 0.76341678161171 0.08333333333333 0.38398790510994 15.999 > 1 2 O 0.76341678161171 0.41666666666667 0.38398790510994 15.999 > 1 3 O 0.76341678161171 0.75000000000000 0.38398790510994 15.999 > 1 4 O 0.23658321838829 0.25000000000000 0.61601209489006 15.999 > 4 5 O 0.23658321838829 0.58333333333333 0.61601209489006 15.999 > 4 6 O 0.23658321838829 0.91666666666667 0.61601209489006 15.999 > 4 7 O 0.26341678161171 0.08333333333333 0.11601209489006 15.999 > 7 8 O 0.26341678161171 0.41666666666667 0.11601209489006 15.999 > 7 9 O 0.26341678161171 0.75000000000000 0.11601209489006 15.999 > 7 10 O 0.73658321838829 0.25000000000000 0.88398790510994 15.999 > 10 11 O 0.73658321838829 0.58333333333333 0.88398790510994 15.999 > 10 12 O 0.73658321838829 0.91666666666667 0.88398790510994 15.999 > 10 13 O 0.00495645870145 0.08333333333333 0.65440086393109 15.999 > 13 14 O 0.00495645870145 0.41666666666667 0.65440086393109 15.999 > 13 15 O 0.00495645870145 0.75000000000000 0.65440086393109 15.999 > 13 16 O 0.99504354129855 0.25000000000000 0.34559913606891 15.999 > 16 17 O 0.99504354129855 0.58333333333333 0.34559913606891 15.999 > 16 18 O 0.99504354129855 0.91666666666667 0.34559913606891 15.999 > 16 19 O 0.50495645870145 0.08333333333333 0.84559913606891 15.999 > 19 20 O 0.50495645870145 0.41666666666667 0.84559913606891 15.999 > 19 21 O 0.50495645870145 0.75000000000000 0.84559913606891 15.999 > 19 22 O 0.49504354129855 0.25000000000000 0.15440086393109 15.999 > 22 23 O 0.49504354129855 0.58333333333333 0.15440086393109 15.999 > 22 24 O 0.49504354129855 0.91666666666667 0.15440086393109 15.999 > 22 25 O 0.75571104087794 0.08333333333333 0.72941623960189 15.999 > 25 26 O 0.75571104087794 0.41666666666667 0.72941623960189 15.999 > 25 27 O 0.75571104087794 0.75000000000000 0.72941623960189 15.999 > 25 28 O 0.24428895912206 0.25000000000000 0.27058376039811 15.999 > 28 29 O 0.24428895912206 0.58333333333333 0.27058376039811 15.999 > 28 30 O 0.24428895912206 0.91666666666667 0.27058376039811 15.999 > 28 31 O 0.25571104087794 0.08333333333333 0.77058376039811 15.999 > 31 32 O 0.25571104087794 0.41666666666667 0.77058376039811 15.999 > 31 33 O 0.25571104087794 0.75000000000000 0.77058376039811 15.999 > 31 34 O 0.74428895912206 0.25000000000000 0.22941623960189 15.999 > 34 35 O 0.74428895912206 0.58333333333333 0.22941623960189 15.999 > 34 36 O 0.74428895912206 0.91666666666667 0.22941623960189 15.999 > 34 37 O 0.50599574094473 0.25000000000000 0.60486119440268 15.999 > 37 38 O 0.50599574094473 0.58333333333333 0.60486119440268 15.999 > 37 39 O 0.50599574094473 0.91666666666667 0.60486119440268 15.999 > 37 40 O 0.49400425905527 0.08333333333333 0.39513880559732 15.999 > 40 41 O 0.49400425905527 0.41666666666667 0.39513880559732 15.999 > 40 42 O 0.49400425905527 0.75000000000000 0.39513880559732 15.999 > 40 43 O 0.00599574094473 0.25000000000000 0.89513880559732 15.999 > 43 44 O 0.00599574094473 0.58333333333333 0.89513880559732 15.999 > 43 45 O 0.00599574094473 0.91666666666667 0.89513880559732 15.999 > 43 46 O 0.99400425905527 0.08333333333333 0.10486119440268 15.999 > 46 47 O 0.99400425905527 0.41666666666667 0.10486119440268 15.999 > 46 48 O 0.99400425905527 0.75000000000000 0.10486119440268 15.999 > 46 49 O 0.77531331083965 0.25000000000000 0.54397077539040 15.999 > 49 50 O 0.77531331083965 0.58333333333333 0.54397077539040 15.999 > 49 51 O 0.77531331083965 0.91666666666667 0.54397077539040 15.999 > 49 52 O 0.22468668916035 0.08333333333333 0.45602922460960 15.999 > 52 53 O 0.22468668916035 0.41666666666667 0.45602922460960 15.999 > 52 54 O 0.22468668916035 0.75000000000000 0.45602922460960 15.999 > 52 55 O 0.27531331083965 0.25000000000000 0.95602922460960 15.999 > 55 56 O 0.27531331083965 0.58333333333333 0.95602922460960 15.999 > 55 57 O 0.27531331083965 0.91666666666667 0.95602922460960 15.999 > 55 58 O 0.72468668916035 0.08333333333333 0.04397077539040 15.999 > 58 59 O 0.72468668916035 0.41666666666667 0.04397077539040 15.999 > 58 60 O 0.72468668916035 0.75000000000000 0.04397077539040 15.999 > 58 61 Ti 0.67329282382199 0.08333333333333 0.88122957522365 47.867 > 61 62 Ti 0.67329282382199 0.41666666666667 0.88122957522365 47.867 > 61 63 Ti 0.67329282382199 0.75000000000000 0.88122957522365 47.867 > 61 64 Ti 0.32670717617801 0.25000000000000 0.11877042477635 47.867 > 64 65 Ti 0.32670717617801 0.58333333333333 0.11877042477635 47.867 > 64 66 Ti 0.32670717617801 0.91666666666667 0.11877042477635 47.867 > 64 67 Ti 0.17329282382199 0.08333333333333 0.61877042477635 47.867 > 67 68 Ti 0.17329282382199 0.41666666666667 0.61877042477635 47.867 > 67 69 Ti 0.17329282382199 0.75000000000000 0.61877042477635 47.867 > 67 70 Ti 0.82670717617801 0.25000000000000 0.38122957522365 47.867 > 70 71 Ti 0.82670717617801 0.58333333333333 0.38122957522365 47.867 > 70 72 Ti 0.82670717617801 0.91666666666667 0.38122957522365 47.867 > 70 73 Y 0.63584830383032 0.08333333333333 0.55640072652136 88.906 > 73 74 Y 0.63584830383032 0.41666666666667 0.55640072652136 88.906 > 73 75 Y 0.63584830383032 0.75000000000000 0.55640072652136 88.906 > 73 76 Y 0.36415169616968 0.25000000000000 0.44359927347863 88.906 > 76 77 Y 0.36415169616968 0.58333333333333 0.44359927347863 88.906 > 76 78 Y 0.36415169616968 0.91666666666667 0.44359927347863 88.906 > 76 79 Y 0.13584830383032 0.08333333333333 0.94359927347864 88.906 > 79 80 Y 0.13584830383032 0.41666666666667 0.94359927347864 88.906 > 79 81 Y 0.13584830383032 0.75000000000000 0.94359927347864 88.906 > 79 82 Y 0.86415169616968 0.25000000000000 0.05640072652136 88.906 > 82 83 Y 0.86415169616968 0.58333333333333 0.05640072652136 88.906 > 82 84 Y 0.86415169616968 0.91666666666667 0.05640072652136 88.906 > 82 85 Y 0.61611691484963 0.08333333333333 0.22393593090819 88.906 > 85 86 Y 0.61611691484963 0.41666666666667 0.22393593090819 88.906 > 85 87 Y 0.61611691484963 0.75000000000000 0.22393593090819 88.906 > 85 88 Y 0.38388308515038 0.25000000000000 0.77606406909181 88.906 > 88 89 Y 0.38388308515038 0.58333333333333 0.77606406909181 88.906 > 88 90 Y 0.38388308515038 0.91666666666667 0.77606406909181 88.906 > 88 91 Y 0.11611691484962 0.08333333333333 0.27606406909181 88.906 > 91 92 Y 0.11611691484962 0.41666666666667 0.27606406909181 88.906 > 91 93 Y 0.11611691484962 0.75000000000000 0.27606406909181 88.906 > 91 94 Y 0.88388308515037 0.25000000000000 0.72393593090819 88.906 > 94 95 Y 0.88388308515037 0.58333333333333 0.72393593090819 88.906 > 94 96 Y 0.88388308515037 0.91666666666667 0.72393593090819 88.906 > 94 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.3933386 0.0000000 0.0000000 0.0000000 4.6160460 0.0000000 0.0000000 0.0000000 4.5581366 -------------------------- Born effective charges -------------------------- 1 O -1.5507844 0.0000000 -0.0719637 0.0000000 -4.0831579 0.0000000 0.0979760 0.0000000 -1.7818155 2 O -1.5507844 0.0000000 -0.0719637 0.0000000 -4.0831579 0.0000000 0.0979760 0.0000000 -1.7818155 3 O -1.5507844 0.0000000 0.0719637 0.0000000 -4.0831579 0.0000000 -0.0979760 0.0000000 -1.7818155 4 O -1.5507844 0.0000000 0.0719637 0.0000000 -4.0831579 0.0000000 -0.0979760 0.0000000 -1.7818155 5 O -3.5187246 0.0000000 0.8033636 0.0000000 -1.7829035 0.0000000 0.7920988 0.0000000 -1.2941871 6 O -3.5187246 0.0000000 0.8033636 0.0000000 -1.7829035 0.0000000 0.7920988 0.0000000 -1.2941871 7 O -3.5187246 0.0000000 -0.8033636 0.0000000 -1.7829035 0.0000000 -0.7920988 0.0000000 -1.2941871 8 O -3.5187246 0.0000000 -0.8033636 0.0000000 -1.7829035 0.0000000 -0.7920988 0.0000000 -1.2941871 9 O -2.1715712 0.0000000 0.3431429 0.0000000 -2.3875501 0.0000000 0.3947365 0.0000000 -3.0879253 10 O -2.1715712 0.0000000 0.3431429 0.0000000 -2.3875501 0.0000000 0.3947365 0.0000000 -3.0879253 11 O -2.1715712 0.0000000 -0.3431429 0.0000000 -2.3875501 0.0000000 -0.3947365 0.0000000 -3.0879253 12 O -2.1715712 0.0000000 -0.3431429 0.0000000 -2.3875501 0.0000000 -0.3947365 0.0000000 -3.0879253 13 O -2.4867270 0.0000000 0.0676412 0.0000000 -2.3554312 0.0000000 0.4183113 0.0000000 -2.4994793 14 O -2.4867270 0.0000000 0.0676412 0.0000000 -2.3554312 0.0000000 0.4183113 0.0000000 -2.4994793 15 O -2.4867270 0.0000000 -0.0676412 0.0000000 -2.3554312 0.0000000 -0.4183113 0.0000000 -2.4994793 16 O -2.4867270 0.0000000 -0.0676412 0.0000000 -2.3554312 0.0000000 -0.4183113 0.0000000 -2.4994793 17 O -1.8576328 0.0000000 0.1057021 0.0000000 -2.2530799 0.0000000 0.3345420 0.0000000 -3.6453285 18 O -1.8576328 0.0000000 0.1057021 0.0000000 -2.2530799 0.0000000 0.3345420 0.0000000 -3.6453285 19 O -1.8576328 0.0000000 -0.1057021 0.0000000 -2.2530799 0.0000000 -0.3345420 0.0000000 -3.6453285 20 O -1.8576328 0.0000000 -0.1057021 0.0000000 -2.2530799 0.0000000 -0.3345420 0.0000000 -3.6453285 21 Ti 3.5552570 0.0000000 0.1212005 0.0000000 5.2080387 0.0000000 0.4503519 0.0000000 4.6221004 22 Ti 3.5552570 0.0000000 0.1212005 0.0000000 5.2080387 0.0000000 0.4503519 0.0000000 4.6221004 23 Ti 3.5552570 0.0000000 -0.1212005 0.0000000 5.2080387 0.0000000 -0.4503519 0.0000000 4.6221004 24 Ti 3.5552570 0.0000000 -0.1212005 0.0000000 5.2080387 0.0000000 -0.4503519 0.0000000 4.6221004 25 Y 3.7994748 0.0000000 0.2978624 0.0000000 3.8404724 0.0000000 -0.0670422 0.0000000 3.6285774 26 Y 3.7994748 0.0000000 0.2978624 0.0000000 3.8404724 0.0000000 -0.0670422 0.0000000 3.6285774 27 Y 3.7994748 0.0000000 -0.2978624 0.0000000 3.8404724 0.0000000 0.0670422 0.0000000 3.6285774 28 Y 3.7994748 0.0000000 -0.2978624 0.0000000 3.8404724 0.0000000 0.0670422 0.0000000 3.6285774 29 Y 4.2307081 0.0000000 0.0671198 0.0000000 3.8136115 0.0000000 -0.3935239 0.0000000 4.0580580 30 Y 4.2307081 0.0000000 0.0671198 0.0000000 3.8136115 0.0000000 -0.3935239 0.0000000 4.0580580 31 Y 4.2307081 0.0000000 -0.0671198 0.0000000 3.8136115 0.0000000 0.3935239 0.0000000 4.0580580 32 Y 4.2307081 0.0000000 -0.0671198 0.0000000 3.8136115 0.0000000 0.3935239 0.0000000 4.0580580 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 14 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.55, Number of G-points: 283, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/72) ======================= 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 2.550 ( 0.000 0.000 0.000) 0.000 2.836 ( 0.000 0.000 0.000) 0.000 2.862 ( 0.000 0.000 0.000) 0.000 3.047 ( 0.000 0.000 0.000) 0.000 3.133 ( 0.000 0.000 0.000) 0.000 3.188 ( 0.000 0.000 0.000) 0.000 3.264 ( 0.000 0.000 0.000) 0.000 3.872 ( 0.000 0.000 0.000) 0.000 3.936 ( 0.000 0.000 0.000) 0.000 4.102 ( 0.000 0.000 0.000) 0.000 4.108 ( 0.000 0.000 0.000) 0.000 4.115 ( 0.000 0.000 0.000) 0.000 4.138 ( 0.000 0.000 0.000) 0.000 4.198 ( 0.000 0.000 0.000) 0.000 4.238 ( 0.000 0.000 0.000) 0.000 4.688 ( 0.000 0.000 0.000) 0.000 4.799 ( 0.000 0.000 0.000) 0.000 5.037 ( 0.000 0.000 0.000) 0.000 5.109 ( 0.000 0.000 0.000) 0.000 5.271 ( 0.000 0.000 0.000) 0.000 5.509 ( 0.000 0.000 0.000) 0.000 5.553 ( 0.000 0.000 0.000) 0.000 5.682 ( 0.000 0.000 0.000) 0.000 5.995 ( 0.000 0.000 0.000) 0.000 6.062 ( 0.000 0.000 0.000) 0.000 6.634 ( 0.000 0.000 0.000) 0.000 6.733 ( 0.000 0.000 0.000) 0.000 6.847 ( 0.000 0.000 0.000) 0.000 7.193 ( 0.000 0.000 0.000) 0.000 7.323 ( 0.000 0.000 0.000) 0.000 7.423 ( 0.000 0.000 0.000) 0.000 7.550 ( 0.000 0.000 0.000) 0.000 7.617 ( 0.000 0.000 0.000) 0.000 7.675 ( 0.000 0.000 0.000) 0.000 7.912 ( 0.000 0.000 0.000) 0.000 8.010 ( 0.000 0.000 0.000) 0.000 8.077 ( 0.000 0.000 0.000) 0.000 8.120 ( 0.000 0.000 0.000) 0.000 8.232 ( 0.000 0.000 0.000) 0.000 8.595 ( 0.000 0.000 0.000) 0.000 8.684 ( 0.000 0.000 0.000) 0.000 8.895 ( 0.000 0.000 0.000) 0.000 8.911 ( 0.000 0.000 0.000) 0.000 8.962 ( 0.000 0.000 0.000) 0.000 9.221 ( 0.000 0.000 0.000) 0.000 9.273 ( 0.000 0.000 0.000) 0.000 9.288 ( 0.000 0.000 0.000) 0.000 9.548 ( 0.000 0.000 0.000) 0.000 9.663 ( 0.000 0.000 0.000) 0.000 9.723 ( 0.000 0.000 0.000) 0.000 10.021 ( 0.000 0.000 0.000) 0.000 10.144 ( 0.000 0.000 0.000) 0.000 10.614 ( 0.000 0.000 0.000) 0.000 10.656 ( 0.000 0.000 0.000) 0.000 11.004 ( 0.000 0.000 0.000) 0.000 11.230 ( 0.000 0.000 0.000) 0.000 11.300 ( 0.000 0.000 0.000) 0.000 11.316 ( 0.000 0.000 0.000) 0.000 11.658 ( 0.000 0.000 0.000) 0.000 11.696 ( 0.000 0.000 0.000) 0.000 11.707 ( 0.000 0.000 0.000) 0.000 11.862 ( 0.000 0.000 0.000) 0.000 12.802 ( 0.000 0.000 0.000) 0.000 12.878 ( 0.000 0.000 0.000) 0.000 13.244 ( 0.000 0.000 0.000) 0.000 13.340 ( 0.000 0.000 0.000) 0.000 13.399 ( 0.000 0.000 0.000) 0.000 13.852 ( 0.000 0.000 0.000) 0.000 13.876 ( 0.000 0.000 0.000) 0.000 13.977 ( 0.000 0.000 0.000) 0.000 14.027 ( 0.000 0.000 0.000) 0.000 14.366 ( 0.000 0.000 0.000) 0.000 14.555 ( 0.000 0.000 0.000) 0.000 14.991 ( 0.000 0.000 0.000) 0.000 15.250 ( 0.000 0.000 0.000) 0.000 15.280 ( 0.000 0.000 0.000) 0.000 16.131 ( 0.000 0.000 0.000) 0.000 17.011 ( 0.000 0.000 0.000) 0.000 17.027 ( 0.000 0.000 0.000) 0.000 18.313 ( 0.000 0.000 0.000) 0.000 18.314 ( 0.000 0.000 0.000) 0.000 18.457 ( 0.000 0.000 0.000) 0.000 18.465 ( 0.000 0.000 0.000) 0.000 18.677 ( 0.000 0.000 0.000) 0.000 19.841 ( 0.000 0.000 0.000) 0.000 20.015 ( 0.000 0.000 0.000) 0.000 20.671 ( 0.000 0.000 0.000) 0.000 21.226 ( 0.000 0.000 0.000) 0.000 21.232 ( 0.000 0.000 0.000) 0.000 23.733 ( 0.000 0.000 0.000) 0.000 24.521 ( 0.000 0.000 0.000) 0.000 24.826 ( 0.000 0.000 0.000) 0.000 25.548 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/72) ======================= q-point: ( 0.20 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.654 ( 34.069 0.000 0.000) 34.069 0.727 ( 37.187 0.000 0.000) 37.187 1.185 ( 61.141 0.000 0.000) 61.141 2.519 ( -16.155 0.000 0.000) 16.155 2.701 ( -26.410 0.000 0.000) 26.410 2.779 ( 7.977 0.000 0.000) 7.977 2.807 ( -3.475 0.000 0.000) 3.475 3.184 ( 5.102 0.000 0.000) 5.102 3.255 ( -2.306 0.000 0.000) 2.306 3.313 ( 6.197 0.000 0.000) 6.197 3.594 ( -23.252 0.000 0.000) 23.252 3.841 ( -8.954 0.000 0.000) 8.954 3.903 ( -10.617 0.000 0.000) 10.617 4.123 ( 13.871 0.000 0.000) 13.871 4.131 ( -6.267 0.000 0.000) 6.267 4.303 ( 8.848 0.000 0.000) 8.848 4.348 ( 9.022 0.000 0.000) 9.022 4.546 ( 15.784 0.000 0.000) 15.784 4.902 ( 9.049 0.000 0.000) 9.049 4.928 ( 19.400 0.000 0.000) 19.400 5.017 ( -27.719 0.000 0.000) 27.719 5.138 ( 11.004 0.000 0.000) 11.004 5.145 ( 4.158 0.000 0.000) 4.158 5.457 ( -5.279 0.000 0.000) 5.279 5.605 ( -18.519 0.000 0.000) 18.519 5.626 ( -5.618 0.000 0.000) 5.618 5.703 ( 10.466 0.000 0.000) 10.466 6.103 ( -4.651 0.000 0.000) 4.651 6.495 ( -15.656 0.000 0.000) 15.656 6.677 ( -9.818 0.000 0.000) 9.818 7.046 ( 10.027 0.000 0.000) 10.027 7.230 ( 2.523 0.000 0.000) 2.523 7.418 ( -0.892 0.000 0.000) 0.892 7.502 ( 7.591 0.000 0.000) 7.591 7.548 ( 12.224 0.000 0.000) 12.224 7.795 ( 7.606 0.000 0.000) 7.606 7.946 ( -8.060 0.000 0.000) 8.060 8.019 ( 0.885 0.000 0.000) 0.885 8.043 ( 12.830 0.000 0.000) 12.830 8.073 ( -0.395 0.000 0.000) 0.395 8.151 ( -1.125 0.000 0.000) 1.125 8.245 ( -8.549 0.000 0.000) 8.549 8.619 ( -5.025 0.000 0.000) 5.025 8.745 ( 11.171 0.000 0.000) 11.171 8.927 ( 3.213 0.000 0.000) 3.213 8.998 ( 3.606 0.000 0.000) 3.606 9.203 ( -2.365 0.000 0.000) 2.365 9.256 ( -1.743 0.000 0.000) 1.743 9.280 ( -0.003 0.000 0.000) 0.003 9.505 ( -4.947 0.000 0.000) 4.947 9.592 ( -9.899 0.000 0.000) 9.899 9.745 ( 9.046 0.000 0.000) 9.046 9.956 ( -20.441 0.000 0.000) 20.441 10.147 ( 9.557 0.000 0.000) 9.557 10.260 ( 0.037 0.000 0.000) 0.037 10.579 ( -3.522 0.000 0.000) 3.522 10.676 ( -8.975 0.000 0.000) 8.975 11.031 ( 2.592 0.000 0.000) 2.592 11.148 ( -14.730 0.000 0.000) 14.730 11.212 ( -1.823 0.000 0.000) 1.823 11.414 ( 9.363 0.000 0.000) 9.363 11.652 ( 1.519 0.000 0.000) 1.519 11.725 ( 4.790 0.000 0.000) 4.790 11.824 ( 2.822 0.000 0.000) 2.822 12.809 ( 0.755 0.000 0.000) 0.755 12.871 ( -0.706 0.000 0.000) 0.706 13.116 ( -6.251 0.000 0.000) 6.251 13.162 ( -5.003 0.000 0.000) 5.003 13.431 ( 4.570 0.000 0.000) 4.570 13.457 ( 3.125 0.000 0.000) 3.125 13.854 ( 0.231 0.000 0.000) 0.231 13.874 ( -0.228 0.000 0.000) 0.228 14.052 ( 6.494 0.000 0.000) 6.494 14.074 ( 4.309 0.000 0.000) 4.309 14.473 ( 10.358 0.000 0.000) 10.358 14.958 ( -2.311 0.000 0.000) 2.311 15.043 ( 2.672 0.000 0.000) 2.672 15.216 ( -2.016 0.000 0.000) 2.016 15.329 ( 3.829 0.000 0.000) 3.829 16.024 ( -12.572 0.000 0.000) 12.572 17.020 ( 0.592 0.000 0.000) 0.592 17.022 ( -0.383 0.000 0.000) 0.383 18.313 ( 0.007 0.000 0.000) 0.007 18.314 ( -0.017 0.000 0.000) 0.017 18.458 ( 0.078 0.000 0.000) 0.078 18.464 ( -0.066 0.000 0.000) 0.066 19.881 ( 3.955 0.000 0.000) 3.955 20.042 ( 2.814 0.000 0.000) 2.814 20.144 ( 1.758 0.000 0.000) 1.758 20.637 ( -4.103 0.000 0.000) 4.103 21.116 ( -9.928 0.000 0.000) 9.928 21.269 ( -12.622 0.000 0.000) 12.622 23.903 ( 15.322 0.000 0.000) 15.322 24.745 ( -7.804 0.000 0.000) 7.804 25.652 ( 9.389 0.000 0.000) 9.389 26.147 ( -3.779 0.000 0.000) 3.779 ======================= Grid point 2 (3/72) ======================= q-point: ( 0.40 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( 34.055 0.000 0.000) 34.055 1.439 ( 35.943 0.000 0.000) 35.943 1.918 ( -20.537 0.000 0.000) 20.537 2.114 ( -33.086 0.000 0.000) 33.086 2.450 ( 41.254 0.000 0.000) 41.254 2.780 ( -0.125 0.000 0.000) 0.125 2.999 ( 13.922 0.000 0.000) 13.922 3.187 ( -3.258 0.000 0.000) 3.258 3.238 ( -10.304 0.000 0.000) 10.304 3.317 ( 7.851 0.000 0.000) 7.851 3.405 ( 1.610 0.000 0.000) 1.610 3.669 ( -5.588 0.000 0.000) 5.588 3.704 ( -42.421 0.000 0.000) 42.421 3.715 ( -7.991 0.000 0.000) 7.991 4.351 ( 8.557 0.000 0.000) 8.557 4.442 ( 5.041 0.000 0.000) 5.041 4.475 ( 2.406 0.000 0.000) 2.406 4.523 ( -13.201 0.000 0.000) 13.201 4.866 ( 19.268 0.000 0.000) 19.268 5.103 ( 11.073 0.000 0.000) 11.073 5.194 ( -7.357 0.000 0.000) 7.357 5.282 ( 9.449 0.000 0.000) 9.449 5.310 ( -9.607 0.000 0.000) 9.607 5.460 ( 12.379 0.000 0.000) 12.379 5.475 ( -9.521 0.000 0.000) 9.521 5.495 ( 21.168 0.000 0.000) 21.168 5.771 ( -7.080 0.000 0.000) 7.080 5.902 ( -15.655 0.000 0.000) 15.655 6.286 ( -1.703 0.000 0.000) 1.703 6.422 ( -12.907 0.000 0.000) 12.907 7.195 ( 5.090 0.000 0.000) 5.090 7.244 ( -0.544 0.000 0.000) 0.544 7.495 ( 8.413 0.000 0.000) 8.413 7.631 ( 0.288 0.000 0.000) 0.288 7.731 ( 5.186 0.000 0.000) 5.186 7.798 ( -5.082 0.000 0.000) 5.082 7.944 ( 8.017 0.000 0.000) 8.017 8.040 ( 1.182 0.000 0.000) 1.182 8.061 ( -0.880 0.000 0.000) 0.880 8.063 ( -3.682 0.000 0.000) 3.682 8.138 ( -3.107 0.000 0.000) 3.107 8.202 ( -3.510 0.000 0.000) 3.510 8.687 ( 16.315 0.000 0.000) 16.315 8.908 ( 1.394 0.000 0.000) 1.394 9.012 ( 5.202 0.000 0.000) 5.202 9.085 ( 3.157 0.000 0.000) 3.157 9.132 ( -2.655 0.000 0.000) 2.655 9.201 ( -4.033 0.000 0.000) 4.033 9.308 ( 3.044 0.000 0.000) 3.044 9.398 ( -4.134 0.000 0.000) 4.134 9.411 ( -7.732 0.000 0.000) 7.732 9.509 ( -19.246 0.000 0.000) 19.246 9.981 ( 14.080 0.000 0.000) 14.080 10.228 ( -8.304 0.000 0.000) 8.304 10.331 ( 8.820 0.000 0.000) 8.820 10.481 ( -6.479 0.000 0.000) 6.479 10.588 ( 5.025 0.000 0.000) 5.025 10.829 ( -16.517 0.000 0.000) 16.517 11.094 ( 3.640 0.000 0.000) 3.640 11.162 ( -3.206 0.000 0.000) 3.206 11.603 ( 9.449 0.000 0.000) 9.449 11.706 ( 2.292 0.000 0.000) 2.292 11.773 ( -0.299 0.000 0.000) 0.299 11.785 ( -5.075 0.000 0.000) 5.075 12.829 ( 1.195 0.000 0.000) 1.195 12.852 ( -1.165 0.000 0.000) 1.165 13.053 ( -0.139 0.000 0.000) 0.139 13.087 ( -2.928 0.000 0.000) 2.928 13.488 ( 1.436 0.000 0.000) 1.436 13.494 ( 0.777 0.000 0.000) 0.777 13.860 ( 0.372 0.000 0.000) 0.372 13.868 ( -0.370 0.000 0.000) 0.370 14.160 ( 3.278 0.000 0.000) 3.278 14.162 ( 3.358 0.000 0.000) 3.358 14.714 ( 12.299 0.000 0.000) 12.299 14.889 ( -5.560 0.000 0.000) 5.560 15.106 ( 3.662 0.000 0.000) 3.662 15.172 ( -2.820 0.000 0.000) 2.820 15.448 ( 9.601 0.000 0.000) 9.601 15.719 ( -16.922 0.000 0.000) 16.922 17.018 ( 0.068 0.000 0.000) 0.068 17.023 ( -0.265 0.000 0.000) 0.265 18.313 ( 0.016 0.000 0.000) 0.016 18.314 ( -0.022 0.000 0.000) 0.022 18.460 ( 0.120 0.000 0.000) 0.120 18.462 ( -0.113 0.000 0.000) 0.113 19.981 ( 5.715 0.000 0.000) 5.715 20.067 ( -2.099 0.000 0.000) 2.099 20.243 ( 9.852 0.000 0.000) 9.852 20.479 ( -12.074 0.000 0.000) 12.074 20.970 ( -2.529 0.000 0.000) 2.529 21.037 ( -8.938 0.000 0.000) 8.938 24.237 ( 17.377 0.000 0.000) 17.377 24.539 ( -13.249 0.000 0.000) 13.249 25.857 ( 10.551 0.000 0.000) 10.551 26.036 ( -7.607 0.000 0.000) 7.607 ======================= Grid point 5 (4/72) ======================= q-point: ( 0.00 0.07 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.747 ( 0.000 38.357 0.000) 38.357 0.878 ( 0.000 44.240 0.000) 44.240 1.363 ( 0.000 68.131 0.000) 68.131 2.670 ( 0.000 11.913 0.000) 11.913 2.802 ( 0.000 -2.952 0.000) 2.952 2.922 ( 0.000 8.672 0.000) 8.672 3.199 ( 0.000 4.710 0.000) 4.710 3.258 ( 0.000 18.808 0.000) 18.808 3.305 ( 0.000 9.494 0.000) 9.494 3.317 ( 0.000 6.454 0.000) 6.454 3.894 ( 0.000 2.755 0.000) 2.755 3.904 ( 0.000 -12.388 0.000) 12.388 3.932 ( 0.000 -4.281 0.000) 4.281 4.032 ( 0.000 8.797 0.000) 8.797 4.152 ( 0.000 2.381 0.000) 2.381 4.224 ( 0.000 11.692 0.000) 11.692 4.426 ( 0.000 18.483 0.000) 18.483 4.593 ( 0.000 17.881 0.000) 17.881 4.623 ( 0.000 1.348 0.000) 1.348 5.015 ( 0.000 10.278 0.000) 10.278 5.190 ( 0.000 14.314 0.000) 14.314 5.307 ( 0.000 18.996 0.000) 18.996 5.364 ( 0.000 10.344 0.000) 10.344 5.518 ( 0.000 -0.528 0.000) 0.528 5.779 ( 0.000 19.616 0.000) 19.616 5.910 ( 0.000 21.496 0.000) 21.496 6.068 ( 0.000 8.188 0.000) 8.188 6.081 ( 0.000 2.293 0.000) 2.293 6.624 ( 0.000 -0.733 0.000) 0.733 6.791 ( 0.000 6.108 0.000) 6.108 6.892 ( 0.000 4.624 0.000) 4.624 7.234 ( 0.000 4.300 0.000) 4.300 7.319 ( 0.000 -0.476 0.000) 0.476 7.454 ( 0.000 3.143 0.000) 3.143 7.518 ( 0.000 -2.918 0.000) 2.918 7.605 ( 0.000 -1.044 0.000) 1.044 7.708 ( 0.000 3.684 0.000) 3.684 7.815 ( 0.000 -5.663 0.000) 5.663 8.114 ( 0.000 -0.869 0.000) 0.869 8.197 ( 0.000 -3.591 0.000) 3.591 8.229 ( 0.000 9.955 0.000) 9.955 8.394 ( 0.000 -7.946 0.000) 7.946 8.703 ( 0.000 2.965 0.000) 2.965 8.775 ( 0.000 11.618 0.000) 11.618 8.786 ( 0.000 -6.368 0.000) 6.368 9.002 ( 0.000 5.062 0.000) 5.062 9.086 ( 0.000 10.265 0.000) 10.265 9.155 ( 0.000 -7.618 0.000) 7.618 9.280 ( 0.000 5.955 0.000) 5.955 9.295 ( 0.000 2.337 0.000) 2.337 9.723 ( 0.000 10.042 0.000) 10.042 9.737 ( 0.000 1.021 0.000) 1.021 9.756 ( 0.000 12.019 0.000) 12.019 10.256 ( 0.000 11.027 0.000) 11.027 10.530 ( 0.000 -10.498 0.000) 10.498 10.595 ( 0.000 -0.259 0.000) 0.259 10.925 ( 0.000 -6.364 0.000) 6.364 11.274 ( 0.000 -2.781 0.000) 2.781 11.326 ( 0.000 0.155 0.000) 0.155 11.351 ( 0.000 10.375 0.000) 10.375 11.659 ( 0.000 -4.365 0.000) 4.365 11.684 ( 0.000 2.638 0.000) 2.638 11.831 ( 0.000 11.398 0.000) 11.398 11.839 ( 0.000 -2.555 0.000) 2.555 12.536 ( 0.000 -22.818 0.000) 22.818 12.642 ( 0.000 -16.938 0.000) 16.938 12.897 ( 0.000 -30.341 0.000) 30.341 12.994 ( 0.000 -31.016 0.000) 31.016 13.340 ( 0.000 4.388 0.000) 4.388 13.667 ( 0.000 7.995 0.000) 7.995 13.933 ( 0.000 -4.537 0.000) 4.537 13.983 ( 0.000 -4.553 0.000) 4.553 14.144 ( 0.000 17.449 0.000) 17.449 14.459 ( 0.000 8.532 0.000) 8.532 14.776 ( 0.000 19.024 0.000) 19.024 15.028 ( 0.000 3.361 0.000) 3.361 15.237 ( 0.000 -1.244 0.000) 1.244 15.354 ( 0.000 7.300 0.000) 7.300 15.898 ( 0.000 -3.097 0.000) 3.097 16.094 ( 0.000 -3.764 0.000) 3.764 17.082 ( 0.000 7.063 0.000) 7.063 17.087 ( 0.000 6.097 0.000) 6.097 17.905 ( 0.000 -31.604 0.000) 31.604 18.047 ( 0.000 -33.703 0.000) 33.703 18.108 ( 0.000 -19.281 0.000) 19.281 19.174 ( 0.000 25.456 0.000) 25.456 19.825 ( 0.000 -18.185 0.000) 18.185 20.115 ( 0.000 17.216 0.000) 17.216 20.899 ( 0.000 21.209 0.000) 21.209 21.302 ( 0.000 9.053 0.000) 9.053 21.317 ( 0.000 9.355 0.000) 9.355 21.751 ( 0.000 5.523 0.000) 5.523 23.754 ( 0.000 2.024 0.000) 2.024 24.451 ( 0.000 -6.810 0.000) 6.810 24.750 ( 0.000 -7.581 0.000) 7.581 25.437 ( 0.000 -11.107 0.000) 11.107 ======================= Grid point 6 (5/72) ======================= q-point: ( 0.20 0.07 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( 26.359 25.558 0.000) 36.715 1.090 ( 19.916 35.153 0.000) 40.403 1.782 ( 36.128 50.142 0.000) 61.802 2.645 ( -15.744 12.498 0.000) 20.101 2.748 ( -9.106 1.193 0.000) 9.184 2.828 ( 6.753 6.819 0.000) 9.597 2.920 ( -18.167 14.065 0.000) 22.975 3.246 ( 4.729 4.324 0.000) 6.408 3.301 ( -2.267 5.657 0.000) 6.095 3.437 ( 5.249 11.151 0.000) 12.324 3.586 ( -19.441 2.290 0.000) 19.576 3.750 ( -10.157 -6.342 0.000) 11.974 3.975 ( -4.388 7.351 0.000) 8.561 4.190 ( 8.540 8.082 0.000) 11.758 4.203 ( 5.582 8.533 0.000) 10.196 4.361 ( 10.735 4.403 0.000) 11.603 4.485 ( -0.508 9.656 0.000) 9.669 4.607 ( 10.234 7.051 0.000) 12.428 4.779 ( 1.931 0.646 0.000) 2.036 5.034 ( -3.930 4.864 0.000) 6.253 5.237 ( 9.258 11.666 0.000) 14.893 5.318 ( 0.345 20.052 0.000) 20.055 5.375 ( 8.229 21.315 0.000) 22.848 5.650 ( -19.443 5.544 0.000) 20.218 5.659 ( 9.038 1.557 0.000) 9.171 5.692 ( -7.408 19.455 0.000) 20.818 5.896 ( -0.797 21.575 0.000) 21.589 6.172 ( -2.545 7.940 0.000) 8.338 6.518 ( -10.861 3.497 0.000) 11.410 6.733 ( -10.333 5.935 0.000) 11.916 7.020 ( 10.116 -0.146 0.000) 10.118 7.260 ( 0.383 2.931 0.000) 2.956 7.387 ( 1.030 -2.637 0.000) 2.830 7.510 ( 5.689 1.334 0.000) 5.843 7.510 ( 9.532 -3.453 0.000) 10.138 7.704 ( 4.682 -6.144 0.000) 7.725 7.808 ( 6.549 1.093 0.000) 6.640 7.901 ( 6.869 -4.387 0.000) 8.150 8.087 ( -1.281 -2.258 0.000) 2.596 8.195 ( -1.779 -1.775 0.000) 2.513 8.218 ( -11.412 -0.616 0.000) 11.428 8.277 ( 4.319 9.135 0.000) 10.104 8.653 ( -2.583 5.171 0.000) 5.780 8.806 ( 5.310 3.890 0.000) 6.582 8.905 ( 5.452 -1.464 0.000) 5.646 9.105 ( -2.664 -5.745 0.000) 6.333 9.142 ( 3.380 10.120 0.000) 10.670 9.204 ( 9.768 -7.919 0.000) 12.575 9.268 ( -0.594 2.471 0.000) 2.542 9.323 ( 6.313 1.574 0.000) 6.506 9.659 ( -5.978 9.841 0.000) 11.515 9.727 ( -1.996 0.753 0.000) 2.134 9.866 ( 9.501 12.482 0.000) 15.687 10.108 ( -12.053 11.362 0.000) 16.564 10.469 ( -3.548 -7.114 0.000) 7.950 10.563 ( -2.551 0.075 0.000) 2.552 10.930 ( -0.528 -7.596 0.000) 7.615 11.149 ( -10.309 -0.260 0.000) 10.312 11.186 ( -11.313 1.780 0.000) 11.452 11.357 ( -12.062 12.867 0.000) 17.637 11.566 ( -1.307 5.965 0.000) 6.106 11.672 ( 2.236 -0.837 0.000) 2.387 11.848 ( 4.864 7.369 0.000) 8.830 11.912 ( 4.350 9.700 0.000) 10.631 12.541 ( 0.428 -22.873 0.000) 22.877 12.606 ( -2.853 -18.976 0.000) 19.189 12.969 ( 4.885 -31.718 0.000) 32.092 12.995 ( 0.150 -28.858 0.000) 28.859 13.308 ( -2.438 2.184 0.000) 3.273 13.526 ( -14.604 18.013 0.000) 23.189 13.938 ( 0.975 -3.638 0.000) 3.766 14.006 ( 0.699 -2.945 0.000) 3.027 14.176 ( 4.225 16.038 0.000) 16.586 14.537 ( -16.609 32.743 0.000) 36.715 14.591 ( 12.560 10.520 0.000) 16.384 15.055 ( 1.816 3.925 0.000) 4.325 15.223 ( -1.332 -0.114 0.000) 1.337 15.375 ( 2.112 5.364 0.000) 5.765 15.376 ( -21.518 25.375 0.000) 33.270 15.996 ( -11.887 -2.786 0.000) 12.210 17.077 ( 0.139 6.213 0.000) 6.215 17.082 ( -0.368 6.097 0.000) 6.108 17.932 ( 1.953 -32.566 0.000) 32.624 18.027 ( -1.543 -32.064 0.000) 32.101 18.137 ( 2.502 -19.964 0.000) 20.120 18.584 ( -25.810 12.371 0.000) 28.622 20.033 ( 11.147 -2.551 0.000) 11.435 20.156 ( 4.056 16.764 0.000) 17.248 20.813 ( -21.623 41.127 0.000) 46.465 20.862 ( -4.716 20.975 0.000) 21.499 21.197 ( -8.595 10.562 0.000) 13.618 21.399 ( -14.151 14.401 0.000) 20.190 23.852 ( 14.099 -4.023 0.000) 14.662 24.671 ( -7.633 -7.363 0.000) 10.606 25.443 ( 35.572 -44.210 0.000) 56.744 25.527 ( 7.921 -12.435 0.000) 14.744 ======================= Grid point 7 (6/72) ======================= q-point: ( 0.40 0.07 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( 27.803 23.287 0.000) 36.267 1.627 ( 32.770 15.534 0.000) 36.265 2.119 ( -23.612 18.046 0.000) 29.719 2.271 ( -31.210 12.643 0.000) 33.674 2.626 ( 31.019 19.300 0.000) 36.533 2.832 ( 0.754 6.575 0.000) 6.618 3.044 ( 14.215 5.880 0.000) 15.383 3.240 ( -2.871 6.211 0.000) 6.842 3.283 ( -7.961 4.684 0.000) 9.236 3.401 ( 9.746 7.876 0.000) 12.531 3.491 ( -18.210 -3.654 0.000) 18.573 3.525 ( 1.684 9.366 0.000) 9.517 3.841 ( -5.341 12.914 0.000) 13.975 4.001 ( -23.673 18.146 0.000) 29.828 4.378 ( 7.437 3.396 0.000) 8.176 4.506 ( -5.010 2.637 0.000) 5.662 4.519 ( 5.417 7.349 0.000) 9.129 4.580 ( -4.373 7.132 0.000) 8.366 4.854 ( 15.749 0.505 0.000) 15.757 5.053 ( 0.679 0.977 0.000) 1.190 5.339 ( -0.906 9.172 0.000) 9.217 5.439 ( -0.689 6.887 0.000) 6.921 5.496 ( 3.092 13.723 0.000) 14.067 5.533 ( -1.933 13.300 0.000) 13.440 5.652 ( 16.880 21.384 0.000) 27.243 5.786 ( 6.107 18.034 0.000) 19.040 5.894 ( -2.398 18.108 0.000) 18.266 6.024 ( -11.971 13.885 0.000) 18.333 6.324 ( -4.253 4.640 0.000) 6.294 6.455 ( -14.488 4.053 0.000) 15.044 7.178 ( 5.340 -1.547 0.000) 5.560 7.233 ( -1.387 -1.384 0.000) 1.959 7.486 ( 7.818 -0.119 0.000) 7.818 7.598 ( -0.398 -2.007 0.000) 2.046 7.674 ( 4.974 -5.164 0.000) 7.170 7.727 ( -0.998 -4.755 0.000) 4.859 7.943 ( 6.741 -0.979 0.000) 6.812 8.003 ( 3.644 -0.799 0.000) 3.731 8.026 ( -5.474 -0.065 0.000) 5.474 8.084 ( -1.122 0.457 0.000) 1.211 8.151 ( -0.971 -0.357 0.000) 1.034 8.256 ( -7.424 1.262 0.000) 7.531 8.787 ( 15.455 9.656 0.000) 18.223 8.916 ( 4.731 -0.618 0.000) 4.771 8.990 ( 1.020 0.631 0.000) 1.199 9.029 ( -4.292 -6.878 0.000) 8.108 9.231 ( 3.242 10.640 0.000) 11.123 9.243 ( -0.093 -0.082 0.000) 0.124 9.279 ( 3.679 0.345 0.000) 3.695 9.429 ( -2.833 3.402 0.000) 4.427 9.535 ( -5.023 9.371 0.000) 10.632 9.558 ( -11.787 5.381 0.000) 12.957 10.014 ( 3.247 1.712 0.000) 3.671 10.032 ( 4.676 5.645 0.000) 7.330 10.511 ( 8.856 -3.722 0.000) 9.606 10.559 ( 4.566 7.754 0.000) 8.998 10.785 ( -14.037 -5.622 0.000) 15.121 10.822 ( -18.511 14.785 0.000) 23.691 11.078 ( 1.467 0.304 0.000) 1.498 11.154 ( -5.900 2.770 0.000) 6.518 11.654 ( 5.308 1.698 0.000) 5.573 11.710 ( 0.187 -0.747 0.000) 0.770 11.926 ( 2.035 11.718 0.000) 11.894 11.943 ( -0.316 13.346 0.000) 13.350 12.551 ( 0.507 -22.366 0.000) 22.372 12.564 ( -1.207 -21.568 0.000) 21.602 13.002 ( 0.714 -25.471 0.000) 25.481 13.019 ( -0.107 -28.058 0.000) 28.058 13.267 ( -1.498 0.943 0.000) 1.770 13.288 ( -5.849 12.267 0.000) 13.590 13.968 ( 1.735 -0.961 0.000) 1.983 13.997 ( -1.143 -0.068 0.000) 1.145 14.284 ( 5.425 14.467 0.000) 15.450 14.367 ( -3.905 20.527 0.000) 20.895 14.882 ( 14.898 14.389 0.000) 20.712 15.067 ( -2.691 9.552 0.000) 9.924 15.178 ( -3.067 11.902 0.000) 12.291 15.190 ( -1.983 1.680 0.000) 2.599 15.455 ( 7.463 1.217 0.000) 7.562 15.699 ( -16.417 -1.901 0.000) 16.527 17.078 ( -0.035 6.005 0.000) 6.005 17.080 ( -0.079 5.756 0.000) 5.756 17.966 ( 1.609 -32.478 0.000) 32.518 17.996 ( -1.540 -31.978 0.000) 32.015 18.198 ( 3.819 -16.837 0.000) 17.265 18.301 ( -7.737 -8.504 0.000) 11.496 20.233 ( 8.550 3.604 0.000) 9.278 20.255 ( 4.949 13.797 0.000) 14.657 20.588 ( -4.451 33.472 0.000) 33.766 20.684 ( -11.784 21.463 0.000) 24.485 21.092 ( -0.679 14.832 0.000) 14.848 21.168 ( -8.453 14.980 0.000) 17.201 24.173 ( 16.966 -6.077 0.000) 18.021 24.469 ( -13.011 -6.895 0.000) 14.725 25.685 ( 6.967 -16.545 0.000) 17.952 25.744 ( 2.618 -25.901 0.000) 26.033 ======================= Grid point 10 (7/72) ======================= q-point: ( 0.00 0.14 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( 0.000 38.104 0.000) 38.104 1.709 ( 0.000 40.610 0.000) 40.610 2.609 ( 0.000 56.973 0.000) 56.973 2.827 ( 0.000 6.182 0.000) 6.182 2.994 ( 0.000 21.644 0.000) 21.644 3.163 ( 0.000 16.238 0.000) 16.238 3.271 ( 0.000 3.373 0.000) 3.373 3.456 ( 0.000 9.797 0.000) 9.797 3.515 ( 0.000 11.817 0.000) 11.817 3.660 ( 0.000 4.727 0.000) 4.727 3.814 ( 0.000 15.835 0.000) 15.835 3.930 ( 0.000 3.683 0.000) 3.683 3.982 ( 0.000 5.872 0.000) 5.872 4.223 ( 0.000 5.042 0.000) 5.042 4.227 ( 0.000 10.021 0.000) 10.021 4.592 ( 0.000 24.406 0.000) 24.406 4.706 ( 0.000 4.607 0.000) 4.607 4.775 ( 0.000 16.096 0.000) 16.096 4.902 ( 0.000 14.220 0.000) 14.220 5.170 ( 0.000 7.685 0.000) 7.685 5.520 ( 0.000 0.990 0.000) 0.990 5.532 ( 0.000 19.377 0.000) 19.377 5.589 ( 0.000 11.215 0.000) 11.215 5.702 ( 0.000 15.790 0.000) 15.790 6.199 ( 0.000 12.398 0.000) 12.398 6.274 ( 0.000 28.607 0.000) 28.607 6.298 ( 0.000 12.342 0.000) 12.342 6.342 ( 0.000 13.963 0.000) 13.963 6.673 ( 0.000 11.255 0.000) 11.255 6.972 ( 0.000 11.970 0.000) 11.970 7.029 ( 0.000 9.338 0.000) 9.338 7.303 ( 0.000 -1.113 0.000) 1.113 7.350 ( 0.000 3.643 0.000) 3.643 7.488 ( 0.000 4.745 0.000) 4.745 7.550 ( 0.000 7.009 0.000) 7.009 7.587 ( 0.000 -0.420 0.000) 0.420 7.729 ( 0.000 -2.634 0.000) 2.634 7.834 ( 0.000 9.602 0.000) 9.602 8.037 ( 0.000 -8.421 0.000) 8.421 8.088 ( 0.000 -8.006 0.000) 8.006 8.309 ( 0.000 1.147 0.000) 1.147 8.360 ( 0.000 3.235 0.000) 3.235 8.662 ( 0.000 -5.841 0.000) 5.841 8.854 ( 0.000 12.535 0.000) 12.535 9.030 ( 0.000 14.782 0.000) 14.782 9.047 ( 0.000 -1.787 0.000) 1.787 9.131 ( 0.000 9.086 0.000) 9.086 9.311 ( 0.000 11.397 0.000) 11.397 9.383 ( 0.000 7.193 0.000) 7.193 9.443 ( 0.000 10.326 0.000) 10.326 9.765 ( 0.000 2.536 0.000) 2.536 9.858 ( 0.000 3.793 0.000) 3.793 10.095 ( 0.000 20.463 0.000) 20.463 10.320 ( 0.000 -8.654 0.000) 8.654 10.535 ( 0.000 14.835 0.000) 14.835 10.685 ( 0.000 10.384 0.000) 10.384 10.830 ( 0.000 -1.841 0.000) 1.841 11.185 ( 0.000 -6.704 0.000) 6.704 11.255 ( 0.000 -10.186 0.000) 10.186 11.558 ( 0.000 -2.448 0.000) 2.448 11.576 ( 0.000 10.985 0.000) 10.985 11.718 ( 0.000 -12.136 0.000) 12.136 11.751 ( 0.000 3.310 0.000) 3.310 12.058 ( 0.000 5.057 0.000) 5.057 12.130 ( 0.000 -12.088 0.000) 12.088 12.237 ( 0.000 -35.605 0.000) 35.605 12.358 ( 0.000 -27.467 0.000) 27.467 12.361 ( 0.000 -11.002 0.000) 11.002 13.362 ( 0.000 -1.585 0.000) 1.585 13.726 ( 0.000 -3.176 0.000) 3.176 13.814 ( 0.000 -5.776 0.000) 5.776 13.851 ( 0.000 -8.876 0.000) 8.876 14.450 ( 0.000 13.623 0.000) 13.623 14.646 ( 0.000 9.361 0.000) 9.361 15.092 ( 0.000 2.402 0.000) 2.402 15.173 ( 0.000 19.796 0.000) 19.796 15.209 ( 0.000 -1.188 0.000) 1.188 15.541 ( 0.000 11.049 0.000) 11.049 15.821 ( 0.000 -4.267 0.000) 4.267 15.989 ( 0.000 -6.857 0.000) 6.857 17.256 ( 0.000 10.725 0.000) 10.725 17.272 ( 0.000 11.983 0.000) 11.983 17.344 ( 0.000 -25.358 0.000) 25.358 17.377 ( 0.000 -32.341 0.000) 32.341 17.648 ( 0.000 -25.892 0.000) 25.892 19.371 ( 0.000 -26.924 0.000) 26.924 19.532 ( 0.000 10.826 0.000) 10.826 20.251 ( 0.000 -3.587 0.000) 3.587 21.398 ( 0.000 27.665 0.000) 27.665 21.575 ( 0.000 15.872 0.000) 15.872 21.624 ( 0.000 21.903 0.000) 21.903 21.852 ( 0.000 4.035 0.000) 4.035 23.807 ( 0.000 3.239 0.000) 3.239 24.280 ( 0.000 -9.786 0.000) 9.786 24.547 ( 0.000 -12.692 0.000) 12.692 25.137 ( 0.000 -18.949 0.000) 18.949 ======================= Grid point 11 (8/72) ======================= q-point: ( 0.20 0.14 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( 12.298 32.472 0.000) 34.722 1.819 ( 11.062 37.609 0.000) 39.202 2.774 ( 11.090 42.958 0.000) 44.367 2.830 ( -1.826 8.314 0.000) 8.512 2.966 ( -14.187 17.354 0.000) 22.415 3.090 ( 9.471 25.501 0.000) 27.203 3.163 ( -21.352 8.233 0.000) 22.884 3.317 ( 5.487 4.630 0.000) 7.179 3.497 ( -2.953 11.495 0.000) 11.868 3.653 ( 0.241 7.596 0.000) 7.600 3.713 ( -13.396 10.327 0.000) 16.915 3.766 ( -3.902 13.698 0.000) 14.243 4.123 ( 8.374 6.812 0.000) 10.795 4.422 ( 9.996 12.884 0.000) 16.307 4.426 ( 13.925 4.154 0.000) 14.531 4.488 ( -5.357 19.426 0.000) 20.151 4.658 ( -1.619 7.213 0.000) 7.392 4.821 ( 2.673 13.819 0.000) 14.075 4.890 ( -4.656 9.234 0.000) 10.342 5.156 ( -1.686 6.706 0.000) 6.915 5.534 ( 6.574 15.171 0.000) 16.534 5.625 ( 3.769 10.824 0.000) 11.461 5.679 ( 6.654 4.131 0.000) 7.832 5.809 ( 10.417 18.111 0.000) 20.893 5.846 ( -20.223 16.066 0.000) 25.828 6.159 ( -4.747 22.354 0.000) 22.852 6.389 ( 0.068 25.013 0.000) 25.013 6.432 ( 3.541 16.578 0.000) 16.952 6.670 ( -2.512 13.581 0.000) 13.811 6.907 ( -9.485 10.609 0.000) 14.231 7.053 ( 2.956 3.234 0.000) 4.382 7.286 ( -6.357 -0.749 0.000) 6.401 7.411 ( 5.428 2.618 0.000) 6.026 7.451 ( 5.250 3.705 0.000) 6.425 7.562 ( 2.549 3.535 0.000) 4.359 7.664 ( 3.936 2.392 0.000) 4.606 7.781 ( 5.255 -2.692 0.000) 5.904 7.944 ( 7.248 7.477 0.000) 10.414 7.965 ( -1.435 -9.643 0.000) 9.750 8.142 ( -0.238 -6.333 0.000) 6.337 8.215 ( -6.098 3.839 0.000) 7.205 8.363 ( -1.296 1.515 0.000) 1.994 8.737 ( 5.613 -5.882 0.000) 8.130 8.860 ( 2.468 13.927 0.000) 14.144 9.005 ( -4.003 -1.377 0.000) 4.234 9.046 ( 2.047 12.268 0.000) 12.438 9.184 ( 3.288 4.308 0.000) 5.419 9.293 ( -1.283 4.490 0.000) 4.670 9.443 ( 6.537 9.794 0.000) 11.775 9.462 ( 2.066 15.729 0.000) 15.864 9.782 ( 0.748 4.724 0.000) 4.783 9.811 ( -4.404 5.047 0.000) 6.698 10.167 ( 4.760 16.520 0.000) 17.192 10.282 ( -3.272 -4.643 0.000) 5.680 10.396 ( -10.648 10.346 0.000) 14.846 10.655 ( -0.772 9.540 0.000) 9.571 10.817 ( -2.410 -1.977 0.000) 3.118 11.123 ( -5.982 -2.041 0.000) 6.321 11.171 ( -7.066 -4.627 0.000) 8.446 11.535 ( -12.405 3.192 0.000) 12.809 11.588 ( 2.996 -5.665 0.000) 6.408 11.607 ( 1.620 0.850 0.000) 1.829 11.876 ( 7.049 -4.519 0.000) 8.373 12.093 ( -0.341 -19.008 0.000) 19.012 12.097 ( 1.882 -1.824 0.000) 2.620 12.271 ( -5.055 -14.428 0.000) 15.288 12.339 ( 6.606 -28.034 0.000) 28.801 12.419 ( 2.987 -18.571 0.000) 18.809 13.329 ( -1.716 -0.486 0.000) 1.784 13.712 ( -4.388 3.418 0.000) 5.562 13.807 ( 1.291 -9.317 0.000) 9.406 13.883 ( 2.004 -8.743 0.000) 8.969 14.472 ( 3.380 13.309 0.000) 13.731 14.808 ( 14.911 10.188 0.000) 18.059 14.999 ( -9.251 12.217 0.000) 15.325 15.181 ( 0.141 12.574 0.000) 12.575 15.209 ( -0.037 -0.658 0.000) 0.659 15.537 ( -0.389 10.416 0.000) 10.423 15.654 ( -11.655 5.242 0.000) 12.780 15.917 ( -9.260 -5.357 0.000) 10.697 17.235 ( -2.301 3.168 0.000) 3.916 17.241 ( -1.285 6.657 0.000) 6.780 17.370 ( 1.466 -17.559 0.000) 17.620 17.378 ( 0.115 -27.892 0.000) 27.892 17.691 ( 4.243 -24.891 0.000) 25.250 18.637 ( -39.276 -7.450 0.000) 39.976 19.961 ( 16.896 -5.159 0.000) 17.666 20.267 ( 1.376 -4.915 0.000) 5.104 21.361 ( -4.568 27.944 0.000) 28.315 21.390 ( -12.832 22.482 0.000) 25.886 21.560 ( -4.496 23.742 0.000) 24.165 21.744 ( -9.173 15.817 0.000) 18.284 23.795 ( 7.379 -1.099 0.000) 7.460 24.475 ( -6.962 -12.159 0.000) 14.011 24.780 ( 30.633 -25.370 0.000) 39.774 25.198 ( 5.057 -20.355 0.000) 20.974 ======================= Grid point 12 (9/72) ======================= q-point: ( 0.40 0.14 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( 24.555 20.032 0.000) 31.690 2.119 ( 18.939 30.661 0.000) 36.039 2.506 ( -27.236 11.596 0.000) 29.602 2.531 ( -21.573 23.252 0.000) 31.718 3.011 ( 2.570 10.112 0.000) 10.433 3.030 ( 4.233 16.251 0.000) 16.793 3.289 ( 9.969 13.860 0.000) 17.073 3.427 ( -3.949 9.182 0.000) 9.995 3.454 ( 0.989 18.159 0.000) 18.186 3.553 ( -9.314 13.479 0.000) 16.384 3.637 ( 12.393 17.703 0.000) 21.610 3.765 ( 1.607 13.782 0.000) 13.875 4.177 ( 0.972 19.276 0.000) 19.301 4.371 ( -13.734 18.466 0.000) 23.013 4.482 ( 4.083 6.940 0.000) 8.052 4.609 ( -9.025 8.008 0.000) 12.065 4.679 ( 9.576 7.065 0.000) 11.900 4.770 ( -1.404 11.196 0.000) 11.284 4.928 ( 9.350 8.541 0.000) 12.664 5.104 ( -5.636 3.644 0.000) 6.712 5.579 ( -2.152 14.578 0.000) 14.736 5.659 ( -4.377 12.866 0.000) 13.590 5.702 ( 4.668 7.330 0.000) 8.690 5.734 ( 2.814 11.448 0.000) 11.789 6.082 ( 15.709 18.577 0.000) 24.328 6.223 ( 9.697 21.905 0.000) 23.955 6.333 ( -6.009 20.600 0.000) 21.458 6.414 ( -5.332 20.380 0.000) 21.065 6.563 ( -5.026 22.607 0.000) 23.159 6.654 ( -13.368 18.405 0.000) 22.747 7.121 ( 2.929 -4.997 0.000) 5.792 7.168 ( -3.294 -4.993 0.000) 5.981 7.530 ( 5.730 1.385 0.000) 5.895 7.594 ( 6.390 2.802 0.000) 6.977 7.596 ( -0.676 0.185 0.000) 0.700 7.679 ( -1.946 4.157 0.000) 4.590 7.906 ( 6.946 -2.196 0.000) 7.285 8.034 ( 6.541 -4.334 0.000) 7.846 8.035 ( -6.477 -2.119 0.000) 6.815 8.054 ( 3.964 4.015 0.000) 5.642 8.159 ( -1.826 3.521 0.000) 3.966 8.254 ( -9.092 1.105 0.000) 9.158 8.835 ( 4.298 -4.955 0.000) 6.559 8.910 ( -3.407 -4.131 0.000) 5.355 9.014 ( 9.598 11.754 0.000) 15.174 9.106 ( 2.296 8.959 0.000) 9.249 9.213 ( 0.350 -0.058 0.000) 0.354 9.256 ( -2.842 1.149 0.000) 3.066 9.521 ( 4.032 15.558 0.000) 16.072 9.573 ( 3.177 11.394 0.000) 11.829 9.723 ( -3.409 9.550 0.000) 10.140 9.730 ( -5.348 11.384 0.000) 12.577 10.168 ( -3.813 10.226 0.000) 10.914 10.183 ( -2.647 9.031 0.000) 9.411 10.392 ( 10.090 -7.198 0.000) 12.394 10.652 ( -12.172 -5.604 0.000) 13.400 10.759 ( 8.657 11.052 0.000) 14.039 10.967 ( -9.991 4.241 0.000) 10.854 11.107 ( 2.672 1.874 0.000) 3.263 11.266 ( -12.790 5.436 0.000) 13.897 11.645 ( 2.006 -6.560 0.000) 6.860 11.649 ( 1.549 -3.125 0.000) 3.488 11.980 ( 4.005 -12.861 0.000) 13.470 12.064 ( -4.508 -13.589 0.000) 14.317 12.138 ( 3.866 -13.887 0.000) 14.415 12.201 ( -2.537 -10.314 0.000) 10.622 12.444 ( 3.671 -22.775 0.000) 23.069 12.468 ( 1.214 -16.954 0.000) 16.998 13.357 ( 5.607 5.331 0.000) 7.737 13.538 ( -11.407 9.126 0.000) 14.608 13.860 ( 2.914 -8.820 0.000) 9.289 13.897 ( -0.659 -8.407 0.000) 8.432 14.585 ( 7.874 14.284 0.000) 16.311 14.774 ( -11.660 17.462 0.000) 20.997 15.140 ( 12.163 9.848 0.000) 15.650 15.180 ( -0.013 6.574 0.000) 6.574 15.232 ( 7.987 2.372 0.000) 8.332 15.494 ( -6.860 14.475 0.000) 16.018 15.532 ( 0.412 7.552 0.000) 7.563 15.649 ( -15.194 -3.235 0.000) 15.535 17.208 ( -0.349 -0.561 0.000) 0.661 17.217 ( -1.028 1.071 0.000) 1.484 17.382 ( 0.289 -20.889 0.000) 20.891 17.385 ( 0.165 -16.739 0.000) 16.740 17.815 ( 8.921 -21.723 0.000) 23.484 18.073 ( -19.294 -14.829 0.000) 24.335 20.196 ( 8.148 -6.996 0.000) 10.739 20.281 ( -0.912 -7.736 0.000) 7.790 21.209 ( -4.591 28.889 0.000) 29.252 21.232 ( -6.184 30.077 0.000) 30.707 21.523 ( 0.742 25.342 0.000) 25.353 21.585 ( -5.883 23.398 0.000) 24.126 24.032 ( 14.281 -7.418 0.000) 16.092 24.291 ( -11.707 -10.594 0.000) 15.789 25.190 ( 11.432 -28.258 0.000) 30.483 25.274 ( 1.294 -23.965 0.000) 24.000 ======================= Grid point 15 (10/72) ======================= q-point: ( 0.00 0.21 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.225 ( 0.000 36.784 0.000) 36.784 2.448 ( 0.000 35.008 0.000) 35.008 3.040 ( 0.000 15.121 0.000) 15.121 3.286 ( 0.000 19.199 0.000) 19.199 3.370 ( 0.000 7.388 0.000) 7.388 3.463 ( 0.000 20.348 0.000) 20.348 3.610 ( 0.000 -1.378 0.000) 1.378 3.686 ( 0.000 11.270 0.000) 11.270 3.748 ( 0.000 11.183 0.000) 11.183 3.816 ( 0.000 47.427 0.000) 47.427 4.054 ( 0.000 8.914 0.000) 8.914 4.111 ( 0.000 7.189 0.000) 7.189 4.247 ( 0.000 20.041 0.000) 20.041 4.349 ( 0.000 7.662 0.000) 7.662 4.379 ( 0.000 4.839 0.000) 4.839 4.777 ( 0.000 3.510 0.000) 3.510 5.021 ( 0.000 9.127 0.000) 9.127 5.089 ( 0.000 24.633 0.000) 24.633 5.161 ( 0.000 12.485 0.000) 12.485 5.276 ( 0.000 1.581 0.000) 1.581 5.570 ( 0.000 4.393 0.000) 4.393 5.836 ( 0.000 0.740 0.000) 0.740 5.848 ( 0.000 15.233 0.000) 15.233 5.903 ( 0.000 17.640 0.000) 17.640 6.391 ( 0.000 -1.924 0.000) 1.924 6.445 ( 0.000 3.555 0.000) 3.555 6.561 ( 0.000 20.495 0.000) 20.495 6.767 ( 0.000 19.338 0.000) 19.338 7.007 ( 0.000 14.630 0.000) 14.630 7.218 ( 0.000 11.764 0.000) 11.764 7.233 ( 0.000 10.255 0.000) 10.255 7.291 ( 0.000 1.243 0.000) 1.243 7.298 ( 0.000 -4.792 0.000) 4.792 7.580 ( 0.000 -2.928 0.000) 2.928 7.593 ( 0.000 -1.916 0.000) 1.916 7.728 ( 0.000 6.961 0.000) 6.961 7.840 ( 0.000 -5.566 0.000) 5.566 7.895 ( 0.000 20.820 0.000) 20.820 7.900 ( 0.000 -7.990 0.000) 7.990 8.084 ( 0.000 15.484 0.000) 15.484 8.424 ( 0.000 5.989 0.000) 5.989 8.425 ( 0.000 9.707 0.000) 9.707 8.595 ( 0.000 -0.258 0.000) 0.258 9.070 ( 0.000 2.953 0.000) 2.953 9.121 ( 0.000 12.928 0.000) 12.928 9.346 ( 0.000 10.823 0.000) 10.823 9.373 ( 0.000 20.415 0.000) 20.415 9.568 ( 0.000 15.380 0.000) 15.380 9.589 ( 0.000 14.649 0.000) 14.649 9.660 ( 0.000 11.432 0.000) 11.432 9.872 ( 0.000 9.140 0.000) 9.140 9.893 ( 0.000 1.959 0.000) 1.959 10.232 ( 0.000 1.365 0.000) 1.365 10.517 ( 0.000 22.050 0.000) 22.050 10.766 ( 0.000 6.848 0.000) 6.848 10.857 ( 0.000 -1.659 0.000) 1.659 10.895 ( 0.000 4.102 0.000) 4.102 10.979 ( 0.000 -9.385 0.000) 9.385 10.981 ( 0.000 -16.394 0.000) 16.394 11.344 ( 0.000 -18.722 0.000) 18.722 11.465 ( 0.000 -31.948 0.000) 31.948 11.618 ( 0.000 -24.694 0.000) 24.694 11.625 ( 0.000 8.604 0.000) 8.604 11.798 ( 0.000 9.351 0.000) 9.351 11.910 ( 0.000 4.152 0.000) 4.152 12.159 ( 0.000 11.878 0.000) 11.878 12.196 ( 0.000 -6.329 0.000) 6.329 12.378 ( 0.000 9.037 0.000) 9.037 13.305 ( 0.000 -3.652 0.000) 3.652 13.525 ( 0.000 -14.721 0.000) 14.721 13.644 ( 0.000 -12.016 0.000) 12.016 13.747 ( 0.000 -3.399 0.000) 3.399 14.664 ( 0.000 7.649 0.000) 7.649 14.783 ( 0.000 3.807 0.000) 3.807 15.095 ( 0.000 -2.611 0.000) 2.611 15.228 ( 0.000 4.493 0.000) 4.493 15.507 ( 0.000 13.864 0.000) 13.864 15.750 ( 0.000 9.618 0.000) 9.618 15.760 ( 0.000 -1.217 0.000) 1.217 15.828 ( 0.000 -9.636 0.000) 9.636 16.853 ( 0.000 -20.150 0.000) 20.150 16.939 ( 0.000 -15.625 0.000) 15.625 17.116 ( 0.000 -25.425 0.000) 25.425 17.521 ( 0.000 13.838 0.000) 13.838 17.528 ( 0.000 13.654 0.000) 13.654 18.822 ( 0.000 -28.348 0.000) 28.348 19.617 ( 0.000 -1.183 0.000) 1.183 20.056 ( 0.000 -14.527 0.000) 14.527 21.864 ( 0.000 11.976 0.000) 11.976 21.894 ( 0.000 0.247 0.000) 0.247 21.906 ( 0.000 23.056 0.000) 23.056 22.030 ( 0.000 17.357 0.000) 17.357 23.870 ( 0.000 2.893 0.000) 2.893 24.105 ( 0.000 -7.407 0.000) 7.407 24.282 ( 0.000 -13.717 0.000) 13.717 24.732 ( 0.000 -21.700 0.000) 21.700 ======================= Grid point 16 (11/72) ======================= q-point: ( 0.20 0.21 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.252 ( 3.513 33.206 0.000) 33.391 2.516 ( 6.883 33.386 0.000) 34.088 3.071 ( -0.011 15.746 0.000) 15.746 3.266 ( -9.066 14.911 0.000) 17.451 3.269 ( -20.100 3.932 0.000) 20.481 3.343 ( -1.782 23.179 0.000) 23.247 3.393 ( 0.874 7.899 0.000) 7.947 3.648 ( -2.687 6.818 0.000) 7.328 3.891 ( 5.598 14.414 0.000) 15.463 3.903 ( 4.635 34.215 0.000) 34.528 3.976 ( -0.608 23.066 0.000) 23.074 4.090 ( -7.085 15.934 0.000) 17.438 4.253 ( 10.647 6.905 0.000) 12.690 4.490 ( 11.261 3.501 0.000) 11.793 4.677 ( 11.304 12.462 0.000) 16.825 4.746 ( 2.984 1.855 0.000) 3.513 4.866 ( -10.420 15.569 0.000) 18.735 5.086 ( -7.014 9.524 0.000) 11.828 5.123 ( 2.205 17.465 0.000) 17.603 5.245 ( -3.161 1.839 0.000) 3.657 5.672 ( 7.609 4.610 0.000) 8.896 5.854 ( 0.649 11.493 0.000) 11.511 5.937 ( 6.712 3.796 0.000) 7.711 5.942 ( 2.906 16.501 0.000) 16.755 6.274 ( -7.595 19.465 0.000) 20.894 6.402 ( 1.935 4.506 0.000) 4.904 6.679 ( 6.215 7.975 0.000) 10.111 6.798 ( 1.613 14.219 0.000) 14.310 6.997 ( -1.073 16.706 0.000) 16.740 7.047 ( -11.804 3.396 0.000) 12.283 7.126 ( -9.037 2.668 0.000) 9.423 7.308 ( -0.450 2.328 0.000) 2.371 7.400 ( 5.957 2.548 0.000) 6.479 7.612 ( 2.254 1.693 0.000) 2.818 7.678 ( 7.235 3.285 0.000) 7.946 7.754 ( 0.914 -9.353 0.000) 9.397 7.840 ( -1.951 17.732 0.000) 17.839 7.865 ( 7.305 16.556 0.000) 18.096 7.973 ( 3.191 -10.020 0.000) 10.516 8.110 ( 0.372 7.726 0.000) 7.735 8.352 ( -5.004 9.799 0.000) 11.003 8.461 ( 2.815 11.735 0.000) 12.068 8.666 ( 5.441 -0.563 0.000) 5.470 8.985 ( -5.180 2.924 0.000) 5.948 9.210 ( 3.298 16.687 0.000) 17.010 9.330 ( -2.505 15.968 0.000) 16.163 9.352 ( -1.218 12.523 0.000) 12.582 9.392 ( -7.630 6.149 0.000) 9.799 9.690 ( 9.989 14.620 0.000) 17.707 9.776 ( 3.196 11.628 0.000) 12.059 9.875 ( 0.073 7.139 0.000) 7.139 9.929 ( 4.469 10.590 0.000) 11.494 10.210 ( -0.999 1.274 0.000) 1.619 10.491 ( -3.840 16.206 0.000) 16.655 10.575 ( -15.053 4.699 0.000) 15.769 10.796 ( -0.879 2.069 0.000) 2.248 10.874 ( -7.526 0.516 0.000) 7.543 11.014 ( 4.686 -7.467 0.000) 8.816 11.033 ( 1.787 -9.402 0.000) 9.570 11.266 ( -5.218 -25.143 0.000) 25.678 11.489 ( 1.305 -23.772 0.000) 23.807 11.569 ( -3.214 0.802 0.000) 3.313 11.615 ( -1.673 -18.703 0.000) 18.777 11.736 ( -5.925 8.263 0.000) 10.167 12.000 ( 6.593 5.229 0.000) 8.414 12.140 ( -3.790 -4.737 0.000) 6.067 12.159 ( 1.292 5.821 0.000) 5.963 12.434 ( 2.459 5.927 0.000) 6.417 13.307 ( 2.269 -1.375 0.000) 2.653 13.564 ( 3.415 -14.506 0.000) 14.903 13.679 ( 2.291 -11.845 0.000) 12.064 13.728 ( -2.211 -1.936 0.000) 2.939 14.677 ( 2.998 6.984 0.000) 7.600 14.943 ( 13.912 2.709 0.000) 14.173 15.061 ( -3.651 -2.027 0.000) 4.176 15.245 ( 1.836 6.005 0.000) 6.279 15.493 ( -2.460 15.144 0.000) 15.342 15.685 ( -5.292 -1.344 0.000) 5.460 15.740 ( -1.054 9.430 0.000) 9.489 15.793 ( -4.554 -6.235 0.000) 7.721 16.846 ( -0.483 -19.595 0.000) 19.601 16.920 ( -1.828 -15.357 0.000) 15.466 17.173 ( 5.746 -24.203 0.000) 24.876 17.526 ( -0.264 13.077 0.000) 13.079 17.528 ( 0.686 13.436 0.000) 13.453 18.365 ( -34.498 -17.947 0.000) 38.887 19.822 ( 12.423 -9.076 0.000) 15.385 20.058 ( 0.105 -14.732 0.000) 14.733 21.753 ( -5.649 13.612 0.000) 14.738 21.870 ( -4.311 22.626 0.000) 23.033 21.949 ( 1.066 6.244 0.000) 6.334 21.988 ( -2.856 18.068 0.000) 18.293 23.808 ( 0.869 1.933 0.000) 2.119 24.224 ( -5.476 -12.774 0.000) 13.898 24.390 ( 19.106 -15.507 0.000) 24.607 24.772 ( 3.125 -22.306 0.000) 22.524 ======================= Grid point 17 (12/72) ======================= q-point: ( 0.40 0.21 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.402 ( 12.666 23.386 0.000) 26.595 2.708 ( 11.984 28.809 0.000) 31.203 2.745 ( -21.090 13.030 0.000) 24.791 2.988 ( -15.531 22.705 0.000) 27.508 3.238 ( 5.778 14.051 0.000) 15.192 3.329 ( -2.672 15.848 0.000) 16.072 3.465 ( 5.563 8.647 0.000) 10.282 3.573 ( -5.004 7.132 0.000) 8.712 3.865 ( -0.799 19.257 0.000) 19.273 3.905 ( -3.713 18.441 0.000) 18.811 4.061 ( 4.056 16.495 0.000) 16.986 4.102 ( 2.853 25.527 0.000) 25.686 4.497 ( 15.589 12.623 0.000) 20.059 4.620 ( -1.094 4.681 0.000) 4.807 4.632 ( -3.417 7.372 0.000) 8.126 4.807 ( -12.241 10.505 0.000) 16.130 4.812 ( 8.525 9.610 0.000) 12.846 4.972 ( -4.274 9.146 0.000) 10.096 5.190 ( 3.808 16.837 0.000) 17.262 5.210 ( 1.190 6.878 0.000) 6.981 5.782 ( 3.095 5.376 0.000) 6.203 5.832 ( -3.077 10.285 0.000) 10.736 5.963 ( -0.178 11.366 0.000) 11.367 5.973 ( -0.019 13.785 0.000) 13.785 6.367 ( 13.172 13.336 0.000) 18.745 6.485 ( 4.979 9.585 0.000) 10.801 6.733 ( -8.490 14.145 0.000) 16.498 6.741 ( -3.726 12.461 0.000) 13.006 6.856 ( -2.683 -4.696 0.000) 5.409 6.911 ( -5.253 -1.127 0.000) 5.372 7.078 ( 4.695 12.659 0.000) 13.502 7.214 ( -7.812 12.191 0.000) 14.479 7.520 ( 5.871 2.953 0.000) 6.572 7.608 ( -2.802 3.625 0.000) 4.582 7.818 ( 4.431 -5.028 0.000) 6.702 7.828 ( 6.738 10.831 0.000) 12.756 7.862 ( 2.582 -0.407 0.000) 2.614 7.960 ( -3.699 -0.583 0.000) 3.745 8.039 ( 6.071 12.613 0.000) 13.998 8.089 ( -1.531 3.313 0.000) 3.650 8.309 ( 3.031 11.800 0.000) 12.183 8.446 ( -6.123 18.816 0.000) 19.787 8.774 ( 5.282 -0.819 0.000) 5.345 8.873 ( -5.584 0.306 0.000) 5.593 9.220 ( 1.974 9.419 0.000) 9.623 9.296 ( -3.883 8.937 0.000) 9.745 9.312 ( 0.947 12.074 0.000) 12.111 9.355 ( -1.170 9.242 0.000) 9.315 9.810 ( 4.238 7.693 0.000) 8.783 9.869 ( 3.602 18.016 0.000) 18.373 9.917 ( 2.663 16.117 0.000) 16.335 9.973 ( -1.493 12.800 0.000) 12.887 10.266 ( 4.636 -4.060 0.000) 6.162 10.353 ( 1.005 7.724 0.000) 7.789 10.367 ( -7.513 9.382 0.000) 12.019 10.609 ( -16.129 0.512 0.000) 16.137 10.881 ( 5.893 -1.205 0.000) 6.014 10.996 ( -5.041 -3.362 0.000) 6.059 11.108 ( 4.999 -7.494 0.000) 9.009 11.192 ( -3.208 -20.915 0.000) 21.159 11.512 ( 1.138 -17.352 0.000) 17.389 11.529 ( -0.790 -1.981 0.000) 2.133 11.575 ( -1.544 -18.429 0.000) 18.494 11.610 ( -5.408 2.024 0.000) 5.775 12.065 ( 0.839 4.748 0.000) 4.822 12.084 ( -1.765 -1.030 0.000) 2.044 12.265 ( 8.188 -1.521 0.000) 8.328 12.406 ( -5.209 0.577 0.000) 5.241 13.431 ( 9.421 1.164 0.000) 9.493 13.593 ( -4.257 -7.476 0.000) 8.603 13.679 ( 0.032 -4.815 0.000) 4.815 13.700 ( -0.337 -10.948 0.000) 10.953 14.786 ( 7.776 5.302 0.000) 9.412 14.948 ( -7.818 1.145 0.000) 7.901 15.245 ( 13.180 -1.569 0.000) 13.273 15.315 ( 8.004 10.287 0.000) 13.034 15.388 ( -6.766 12.784 0.000) 14.464 15.569 ( -10.761 -4.493 0.000) 11.662 15.696 ( -1.504 6.721 0.000) 6.888 15.712 ( -1.650 8.857 0.000) 9.009 16.847 ( 0.796 -17.686 0.000) 17.704 16.877 ( -2.184 -15.700 0.000) 15.851 17.341 ( 11.489 -19.017 0.000) 22.218 17.507 ( -2.590 8.850 0.000) 9.222 17.552 ( 2.393 10.719 0.000) 10.983 17.767 ( -23.508 -12.903 0.000) 26.817 19.993 ( 5.350 -13.084 0.000) 14.136 20.051 ( -1.197 -14.709 0.000) 14.758 21.692 ( -0.020 19.538 0.000) 19.538 21.755 ( -5.877 22.079 0.000) 22.848 21.950 ( -0.231 13.013 0.000) 13.015 21.955 ( -0.808 17.381 0.000) 17.400 23.914 ( 8.467 -4.262 0.000) 9.479 24.086 ( -8.437 -9.720 0.000) 12.871 24.692 ( 10.794 -22.317 0.000) 24.790 24.803 ( -1.140 -23.321 0.000) 23.349 ======================= Grid point 20 (13/72) ======================= q-point: ( 0.00 0.29 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.916 ( 0.000 33.780 0.000) 33.780 3.067 ( 0.000 28.450 0.000) 28.450 3.387 ( 0.000 19.675 0.000) 19.675 3.561 ( 0.000 11.737 0.000) 11.737 3.577 ( 0.000 -1.553 0.000) 1.553 3.596 ( 0.000 13.386 0.000) 13.386 3.861 ( 0.000 19.966 0.000) 19.966 3.901 ( 0.000 3.081 0.000) 3.081 3.921 ( 0.000 11.605 0.000) 11.605 4.204 ( 0.000 7.902 0.000) 7.902 4.254 ( 0.000 7.244 0.000) 7.244 4.442 ( 0.000 3.372 0.000) 3.372 4.506 ( 0.000 7.932 0.000) 7.932 4.546 ( 0.000 11.045 0.000) 11.045 4.644 ( 0.000 30.990 0.000) 30.990 4.844 ( 0.000 2.433 0.000) 2.433 5.180 ( 0.000 10.281 0.000) 10.281 5.242 ( 0.000 -4.028 0.000) 4.028 5.368 ( 0.000 7.327 0.000) 7.327 5.508 ( 0.000 18.137 0.000) 18.137 5.681 ( 0.000 6.509 0.000) 6.509 5.833 ( 0.000 0.919 0.000) 0.919 6.054 ( 0.000 3.214 0.000) 3.214 6.139 ( 0.000 3.881 0.000) 3.881 6.441 ( 0.000 10.437 0.000) 10.437 6.576 ( 0.000 12.658 0.000) 12.658 6.872 ( 0.000 9.957 0.000) 9.957 7.011 ( 0.000 6.789 0.000) 6.789 7.169 ( 0.000 2.792 0.000) 2.792 7.232 ( 0.000 -1.014 0.000) 1.014 7.341 ( 0.000 -17.462 0.000) 17.462 7.345 ( 0.000 -1.247 0.000) 1.247 7.356 ( 0.000 8.245 0.000) 8.245 7.455 ( 0.000 10.814 0.000) 10.814 7.535 ( 0.000 -2.782 0.000) 2.782 7.638 ( 0.000 -1.583 0.000) 1.583 7.932 ( 0.000 8.252 0.000) 8.252 8.048 ( 0.000 13.884 0.000) 13.884 8.205 ( 0.000 8.550 0.000) 8.550 8.400 ( 0.000 15.731 0.000) 15.731 8.654 ( 0.000 5.959 0.000) 5.959 8.665 ( 0.000 14.435 0.000) 14.435 8.713 ( 0.000 23.419 0.000) 23.419 9.123 ( 0.000 2.373 0.000) 2.373 9.310 ( 0.000 6.013 0.000) 6.013 9.476 ( 0.000 2.684 0.000) 2.684 9.696 ( 0.000 9.347 0.000) 9.347 9.787 ( 0.000 4.639 0.000) 4.639 9.885 ( 0.000 11.879 0.000) 11.879 10.017 ( 0.000 23.793 0.000) 23.793 10.040 ( 0.000 7.957 0.000) 7.957 10.050 ( 0.000 7.295 0.000) 7.295 10.435 ( 0.000 16.089 0.000) 16.089 10.493 ( 0.000 -24.046 0.000) 24.046 10.529 ( 0.000 -20.887 0.000) 20.887 10.588 ( 0.000 -15.292 0.000) 15.292 10.761 ( 0.000 -6.144 0.000) 6.144 11.010 ( 0.000 -15.862 0.000) 15.862 11.036 ( 0.000 23.090 0.000) 23.090 11.063 ( 0.000 6.122 0.000) 6.122 11.115 ( 0.000 -2.203 0.000) 2.203 11.538 ( 0.000 10.105 0.000) 10.105 11.822 ( 0.000 6.457 0.000) 6.457 12.001 ( 0.000 12.222 0.000) 12.222 12.018 ( 0.000 5.769 0.000) 5.769 12.177 ( 0.000 9.125 0.000) 9.125 12.461 ( 0.000 16.511 0.000) 16.511 12.487 ( 0.000 1.557 0.000) 1.557 13.188 ( 0.000 -19.496 0.000) 19.496 13.233 ( 0.000 -3.610 0.000) 3.610 13.397 ( 0.000 -12.969 0.000) 12.969 13.661 ( 0.000 -5.338 0.000) 5.338 14.731 ( 0.000 -0.300 0.000) 0.300 14.777 ( 0.000 -4.204 0.000) 4.204 14.991 ( 0.000 -7.416 0.000) 7.416 15.416 ( 0.000 14.314 0.000) 14.314 15.579 ( 0.000 -11.435 0.000) 11.435 15.747 ( 0.000 7.045 0.000) 7.045 15.792 ( 0.000 4.442 0.000) 4.442 15.894 ( 0.000 5.187 0.000) 5.187 16.617 ( 0.000 -4.629 0.000) 4.629 16.663 ( 0.000 -19.967 0.000) 19.967 16.746 ( 0.000 -4.361 0.000) 4.361 17.760 ( 0.000 7.350 0.000) 7.350 17.814 ( 0.000 15.671 0.000) 15.671 18.322 ( 0.000 -19.764 0.000) 19.764 19.519 ( 0.000 -8.198 0.000) 8.198 19.733 ( 0.000 -17.824 0.000) 17.824 21.871 ( 0.000 -2.281 0.000) 2.281 22.001 ( 0.000 1.966 0.000) 1.966 22.252 ( 0.000 11.723 0.000) 11.723 22.254 ( 0.000 5.401 0.000) 5.401 23.912 ( 0.000 1.325 0.000) 1.325 24.007 ( 0.000 -2.802 0.000) 2.802 24.040 ( 0.000 -10.626 0.000) 10.626 24.327 ( 0.000 -18.930 0.000) 18.930 ======================= Grid point 21 (14/72) ======================= q-point: ( 0.20 0.29 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.884 ( -2.484 31.282 0.000) 31.381 3.108 ( 4.102 27.173 0.000) 27.481 3.321 ( -18.496 4.576 0.000) 19.054 3.440 ( 4.873 18.513 0.000) 19.144 3.541 ( -4.079 13.168 0.000) 13.785 3.580 ( -0.278 11.440 0.000) 11.443 3.787 ( -3.849 6.705 0.000) 7.731 3.788 ( -4.665 21.764 0.000) 22.258 4.138 ( 8.856 9.752 0.000) 13.173 4.183 ( -0.348 9.427 0.000) 9.433 4.357 ( -3.266 11.859 0.000) 12.300 4.397 ( 10.285 7.404 0.000) 12.673 4.550 ( 4.073 6.473 0.000) 7.648 4.661 ( 1.221 24.869 0.000) 24.899 4.745 ( 5.277 -1.272 0.000) 5.428 4.876 ( 10.799 7.146 0.000) 12.950 5.084 ( -8.250 8.970 0.000) 12.187 5.157 ( -6.454 -3.048 0.000) 7.138 5.302 ( -6.526 4.681 0.000) 8.031 5.486 ( 2.203 19.036 0.000) 19.163 5.797 ( 6.732 7.742 0.000) 10.260 5.933 ( 7.448 1.425 0.000) 7.583 6.076 ( 2.217 5.257 0.000) 5.705 6.179 ( 2.290 5.590 0.000) 6.041 6.464 ( 3.101 5.110 0.000) 5.977 6.568 ( -0.045 10.977 0.000) 10.978 6.819 ( -5.188 8.168 0.000) 9.677 6.961 ( -4.761 4.410 0.000) 6.490 7.085 ( -12.722 -7.195 0.000) 14.616 7.094 ( -9.771 3.041 0.000) 10.233 7.213 ( 4.823 4.875 0.000) 6.857 7.379 ( 0.329 4.986 0.000) 4.997 7.507 ( 8.287 6.997 0.000) 10.846 7.583 ( 9.026 -0.441 0.000) 9.037 7.668 ( 4.707 -5.270 0.000) 7.066 7.694 ( 9.666 2.010 0.000) 9.873 7.878 ( -3.052 4.249 0.000) 5.231 8.109 ( -8.960 5.516 0.000) 10.521 8.209 ( 13.071 16.828 0.000) 21.308 8.368 ( -1.988 19.336 0.000) 19.438 8.573 ( -4.429 11.623 0.000) 12.438 8.738 ( 4.110 8.496 0.000) 9.438 8.811 ( 7.585 21.490 0.000) 22.789 9.044 ( -6.054 2.848 0.000) 6.690 9.428 ( 8.040 4.590 0.000) 9.258 9.555 ( 5.018 7.186 0.000) 8.764 9.607 ( -11.263 14.465 0.000) 18.333 9.630 ( -5.492 11.137 0.000) 12.417 9.834 ( -4.977 2.667 0.000) 5.647 9.954 ( 0.879 6.931 0.000) 6.986 10.149 ( 6.720 5.495 0.000) 8.680 10.166 ( 5.233 16.173 0.000) 16.999 10.359 ( -5.726 -4.711 0.000) 7.415 10.527 ( 1.370 0.428 0.000) 1.435 10.542 ( 1.282 -19.476 0.000) 19.518 10.563 ( -2.434 -11.272 0.000) 11.532 10.719 ( -7.251 -7.386 0.000) 10.351 10.865 ( -3.274 -13.018 0.000) 13.423 10.889 ( -11.830 10.012 0.000) 15.498 11.065 ( -2.523 13.018 0.000) 13.260 11.255 ( 7.729 -3.433 0.000) 8.457 11.553 ( 1.831 10.150 0.000) 10.314 11.770 ( -6.167 10.609 0.000) 12.271 11.918 ( -6.397 10.167 0.000) 12.012 12.111 ( 6.779 6.553 0.000) 9.428 12.119 ( -2.468 4.963 0.000) 5.543 12.388 ( -6.342 13.824 0.000) 15.209 12.495 ( -1.396 0.813 0.000) 1.616 13.245 ( 4.793 -17.661 0.000) 18.300 13.267 ( 3.872 -3.619 0.000) 5.300 13.444 ( 4.057 -11.178 0.000) 11.892 13.661 ( -0.327 -4.713 0.000) 4.725 14.732 ( 1.948 -0.799 0.000) 2.105 14.909 ( 10.848 -5.491 0.000) 12.159 14.966 ( -2.529 -6.914 0.000) 7.362 15.458 ( 4.211 14.812 0.000) 15.399 15.534 ( -5.049 -12.026 0.000) 13.043 15.738 ( -1.035 10.108 0.000) 10.161 15.782 ( -0.551 3.833 0.000) 3.872 15.880 ( -1.409 5.073 0.000) 5.265 16.615 ( 0.785 -5.008 0.000) 5.069 16.733 ( -1.313 -4.086 0.000) 4.292 16.738 ( 7.083 -18.668 0.000) 19.966 17.701 ( -8.489 -1.342 0.000) 8.595 17.819 ( 0.542 15.700 0.000) 15.709 18.074 ( -18.401 -4.925 0.000) 19.048 19.612 ( 6.683 -12.242 0.000) 13.947 19.735 ( 0.191 -17.691 0.000) 17.692 21.882 ( 1.357 0.722 0.000) 1.537 22.032 ( 3.013 1.933 0.000) 3.580 22.181 ( -5.965 7.749 0.000) 9.779 22.243 ( -1.941 8.860 0.000) 9.070 23.851 ( -1.636 2.153 0.000) 2.704 24.003 ( -3.223 -9.467 0.000) 10.001 24.160 ( 10.208 -8.422 0.000) 13.234 24.364 ( 2.809 -18.800 0.000) 19.009 ======================= Grid point 22 (15/72) ======================= q-point: ( 0.40 0.29 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.869 ( 2.249 24.152 0.000) 24.257 3.006 ( -12.103 13.863 0.000) 18.403 3.225 ( 7.615 23.936 0.000) 25.118 3.394 ( -9.206 18.769 0.000) 20.905 3.557 ( 5.914 17.884 0.000) 18.837 3.600 ( 1.282 10.935 0.000) 11.010 3.715 ( -3.047 7.529 0.000) 8.122 3.719 ( -2.983 17.771 0.000) 18.020 4.190 ( 1.017 13.249 0.000) 13.288 4.213 ( -0.590 12.657 0.000) 12.671 4.383 ( 6.009 15.550 0.000) 16.670 4.497 ( -2.686 14.018 0.000) 14.273 4.644 ( 2.553 -0.262 0.000) 2.566 4.703 ( -3.963 1.055 0.000) 4.101 4.731 ( 10.061 12.591 0.000) 16.117 4.943 ( -9.348 3.853 0.000) 10.111 5.005 ( 2.442 7.453 0.000) 7.843 5.133 ( -8.254 6.221 0.000) 10.336 5.293 ( 16.870 0.318 0.000) 16.873 5.515 ( -3.439 13.849 0.000) 14.270 5.906 ( 5.243 7.358 0.000) 9.035 5.990 ( -2.020 6.520 0.000) 6.825 6.143 ( 3.031 7.456 0.000) 8.048 6.178 ( -1.503 7.930 0.000) 8.071 6.572 ( 7.090 -2.616 0.000) 7.557 6.627 ( 7.361 6.828 0.000) 10.040 6.704 ( -6.223 -1.715 0.000) 6.455 6.832 ( -11.715 -0.940 0.000) 11.752 6.885 ( -3.064 5.181 0.000) 6.019 6.922 ( -6.492 7.092 0.000) 9.615 7.341 ( 6.719 10.248 0.000) 12.254 7.405 ( 0.385 7.711 0.000) 7.721 7.661 ( 7.105 7.876 0.000) 10.607 7.695 ( 6.163 -4.022 0.000) 7.359 7.762 ( -1.535 10.674 0.000) 10.784 7.822 ( 0.068 -0.018 0.000) 0.070 7.856 ( 2.843 -6.051 0.000) 6.686 7.914 ( -7.484 1.287 0.000) 7.594 8.361 ( 1.713 18.842 0.000) 18.920 8.409 ( 0.056 18.241 0.000) 18.241 8.585 ( 12.357 14.043 0.000) 18.706 8.829 ( 5.182 7.570 0.000) 9.174 8.861 ( -9.635 17.580 0.000) 20.047 8.914 ( -3.578 6.574 0.000) 7.485 9.418 ( 0.812 11.081 0.000) 11.111 9.530 ( -6.521 12.851 0.000) 14.411 9.551 ( -1.485 11.530 0.000) 11.625 9.582 ( -1.676 13.187 0.000) 13.293 9.831 ( 9.770 -2.151 0.000) 10.004 10.085 ( -9.114 1.000 0.000) 9.169 10.147 ( 11.001 -3.151 0.000) 11.444 10.244 ( 2.640 -0.283 0.000) 2.655 10.325 ( 3.154 6.872 0.000) 7.561 10.496 ( -5.869 0.518 0.000) 5.892 10.506 ( -2.076 8.062 0.000) 8.325 10.546 ( -4.753 -7.872 0.000) 9.195 10.611 ( -1.225 -18.935 0.000) 18.975 10.631 ( -8.349 -7.006 0.000) 10.899 10.895 ( 3.859 -3.000 0.000) 4.888 10.985 ( -4.966 6.716 0.000) 8.353 11.406 ( 8.423 2.304 0.000) 8.733 11.582 ( -7.330 9.924 0.000) 12.337 11.638 ( 2.733 10.082 0.000) 10.445 11.769 ( -8.132 10.881 0.000) 13.584 12.137 ( 3.657 5.873 0.000) 6.918 12.219 ( -1.204 7.812 0.000) 7.904 12.294 ( 2.502 5.503 0.000) 6.046 12.414 ( -6.218 1.075 0.000) 6.310 13.330 ( 3.136 -15.258 0.000) 15.577 13.343 ( 2.199 -10.485 0.000) 10.713 13.538 ( 5.471 -4.745 0.000) 7.242 13.630 ( -3.256 -3.311 0.000) 4.643 14.801 ( 4.685 -2.617 0.000) 5.367 14.896 ( -4.547 -5.242 0.000) 6.939 15.149 ( 12.860 -7.989 0.000) 15.139 15.380 ( -10.391 -10.195 0.000) 14.557 15.567 ( 6.443 14.557 0.000) 15.919 15.682 ( -4.795 12.118 0.000) 13.032 15.798 ( 1.993 4.736 0.000) 5.138 15.843 ( -2.341 4.935 0.000) 5.462 16.649 ( 2.418 -3.318 0.000) 4.106 16.697 ( -2.306 -3.443 0.000) 4.144 16.951 ( 15.470 -18.032 0.000) 23.758 17.343 ( -23.623 -16.201 0.000) 28.644 17.835 ( 1.186 15.767 0.000) 15.812 17.875 ( -3.635 14.812 0.000) 15.252 19.708 ( 2.898 -15.696 0.000) 15.961 19.736 ( -0.357 -17.141 0.000) 17.145 21.934 ( 4.272 5.282 0.000) 6.794 22.047 ( -7.005 7.484 0.000) 10.251 22.106 ( 4.297 3.728 0.000) 5.689 22.186 ( -3.708 6.743 0.000) 7.696 23.866 ( 2.597 -1.092 0.000) 2.818 23.932 ( -3.826 -5.929 0.000) 7.056 24.330 ( 6.425 -14.818 0.000) 16.151 24.395 ( -0.380 -17.965 0.000) 17.969 ======================= Grid point 25 (16/72) ======================= q-point: ( 0.00 0.36 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.517 ( 0.000 26.436 0.000) 26.436 3.519 ( 0.000 5.659 0.000) 5.659 3.583 ( 0.000 14.414 0.000) 14.414 3.749 ( 0.000 11.995 0.000) 11.995 3.811 ( 0.000 14.245 0.000) 14.245 3.814 ( 0.000 8.910 0.000) 8.910 3.877 ( 0.000 0.061 0.000) 0.061 4.130 ( 0.000 10.006 0.000) 10.006 4.205 ( 0.000 13.638 0.000) 13.638 4.344 ( 0.000 7.768 0.000) 7.768 4.378 ( 0.000 4.933 0.000) 4.933 4.540 ( 0.000 6.110 0.000) 6.110 4.644 ( 0.000 6.125 0.000) 6.125 4.702 ( 0.000 5.332 0.000) 5.332 4.835 ( 0.000 -3.806 0.000) 3.806 4.936 ( 0.000 2.880 0.000) 2.880 5.152 ( 0.000 -4.629 0.000) 4.629 5.404 ( 0.000 -3.135 0.000) 3.135 5.482 ( 0.000 14.856 0.000) 14.856 5.814 ( 0.000 13.720 0.000) 13.720 5.832 ( 0.000 10.092 0.000) 10.092 5.919 ( 0.000 7.471 0.000) 7.471 6.060 ( 0.000 0.564 0.000) 0.564 6.125 ( 0.000 -3.167 0.000) 3.167 6.715 ( 0.000 13.477 0.000) 13.477 6.850 ( 0.000 11.931 0.000) 11.931 6.976 ( 0.000 2.357 0.000) 2.357 6.987 ( 0.000 -11.182 0.000) 11.182 7.078 ( 0.000 1.040 0.000) 1.040 7.238 ( 0.000 1.144 0.000) 1.144 7.256 ( 0.000 -4.113 0.000) 4.113 7.281 ( 0.000 6.187 0.000) 6.187 7.518 ( 0.000 1.765 0.000) 1.765 7.553 ( 0.000 9.897 0.000) 9.897 7.663 ( 0.000 10.274 0.000) 10.274 7.680 ( 0.000 1.963 0.000) 1.963 8.107 ( 0.000 8.624 0.000) 8.624 8.295 ( 0.000 11.485 0.000) 11.485 8.306 ( 0.000 3.044 0.000) 3.044 8.627 ( 0.000 4.658 0.000) 4.658 8.801 ( 0.000 8.003 0.000) 8.003 8.941 ( 0.000 10.823 0.000) 10.823 9.185 ( 0.000 21.389 0.000) 21.389 9.194 ( 0.000 6.094 0.000) 6.094 9.371 ( 0.000 1.738 0.000) 1.738 9.493 ( 0.000 0.156 0.000) 0.156 9.516 ( 0.000 -24.417 0.000) 24.417 9.687 ( 0.000 -26.717 0.000) 26.717 9.858 ( 0.000 2.147 0.000) 2.147 10.081 ( 0.000 4.698 0.000) 4.698 10.103 ( 0.000 7.359 0.000) 7.359 10.174 ( 0.000 4.776 0.000) 4.776 10.361 ( 0.000 -4.609 0.000) 4.609 10.546 ( 0.000 -3.498 0.000) 3.498 10.601 ( 0.000 14.608 0.000) 14.608 10.693 ( 0.000 -0.471 0.000) 0.471 10.712 ( 0.000 -1.929 0.000) 1.929 10.778 ( 0.000 15.457 0.000) 15.457 11.117 ( 0.000 -0.698 0.000) 0.698 11.301 ( 0.000 18.724 0.000) 18.724 11.358 ( 0.000 5.543 0.000) 5.543 11.850 ( 0.000 0.868 0.000) 0.868 11.887 ( 0.000 25.841 0.000) 25.841 12.115 ( 0.000 3.813 0.000) 3.813 12.268 ( 0.000 14.394 0.000) 14.394 12.442 ( 0.000 -5.500 0.000) 5.500 12.519 ( 0.000 19.487 0.000) 19.487 12.737 ( 0.000 11.022 0.000) 11.022 12.789 ( 0.000 -20.270 0.000) 20.270 13.159 ( 0.000 -10.825 0.000) 10.825 13.162 ( 0.000 -3.878 0.000) 3.878 13.540 ( 0.000 -7.192 0.000) 7.192 14.657 ( 0.000 -6.666 0.000) 6.666 14.678 ( 0.000 -4.534 0.000) 4.534 14.850 ( 0.000 -5.755 0.000) 5.755 15.327 ( 0.000 -12.968 0.000) 12.968 15.739 ( 0.000 17.359 0.000) 17.359 15.887 ( 0.000 7.222 0.000) 7.222 15.914 ( 0.000 7.407 0.000) 7.407 15.975 ( 0.000 3.623 0.000) 3.623 16.372 ( 0.000 -9.306 0.000) 9.306 16.604 ( 0.000 1.157 0.000) 1.157 16.736 ( 0.000 2.329 0.000) 2.329 17.619 ( 0.000 -18.481 0.000) 18.481 18.124 ( 0.000 16.069 0.000) 16.069 18.257 ( 0.000 9.908 0.000) 9.908 19.317 ( 0.000 -12.146 0.000) 12.146 19.383 ( 0.000 -17.722 0.000) 17.722 21.820 ( 0.000 -2.568 0.000) 2.568 21.967 ( 0.000 -4.334 0.000) 4.334 22.264 ( 0.000 -3.093 0.000) 3.093 22.356 ( 0.000 -0.550 0.000) 0.550 23.876 ( 0.000 -6.270 0.000) 6.270 23.923 ( 0.000 -0.046 0.000) 0.046 23.975 ( 0.000 -1.052 0.000) 1.052 24.020 ( 0.000 -12.293 0.000) 12.293 ======================= Grid point 26 (17/72) ======================= q-point: ( 0.20 0.36 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.391 ( -9.019 4.083 0.000) 9.900 3.450 ( -6.082 25.836 0.000) 26.542 3.584 ( 1.756 20.988 0.000) 21.061 3.790 ( -1.123 11.412 0.000) 11.467 3.799 ( -2.266 11.545 0.000) 11.765 3.803 ( 4.591 15.052 0.000) 15.736 3.880 ( -1.484 3.746 0.000) 4.029 4.178 ( -3.578 17.508 0.000) 17.870 4.257 ( 9.873 3.766 0.000) 10.567 4.317 ( 1.514 5.391 0.000) 5.600 4.490 ( 6.718 1.701 0.000) 6.930 4.564 ( 1.749 9.213 0.000) 9.377 4.657 ( 1.551 5.425 0.000) 5.642 4.719 ( 0.875 -1.382 0.000) 1.635 4.919 ( 9.610 -3.076 0.000) 10.090 4.931 ( 0.043 3.165 0.000) 3.165 5.093 ( -4.752 -1.758 0.000) 5.067 5.301 ( -12.954 12.472 0.000) 17.982 5.333 ( -6.245 -1.655 0.000) 6.461 5.812 ( -1.496 11.227 0.000) 11.326 5.946 ( 5.872 7.316 0.000) 9.381 6.002 ( 7.085 5.624 0.000) 9.046 6.121 ( 5.631 1.423 0.000) 5.808 6.204 ( 8.135 1.119 0.000) 8.212 6.598 ( -9.601 4.939 0.000) 10.797 6.716 ( -9.235 5.233 0.000) 10.615 6.906 ( -4.881 -2.952 0.000) 5.704 6.975 ( -4.599 5.667 0.000) 7.298 7.049 ( -2.490 1.943 0.000) 3.158 7.223 ( -4.311 10.826 0.000) 11.652 7.278 ( 8.821 3.370 0.000) 9.443 7.476 ( 0.552 4.792 0.000) 4.824 7.508 ( 15.619 -4.628 0.000) 16.290 7.632 ( 5.551 5.358 0.000) 7.715 7.668 ( -0.624 1.818 0.000) 1.922 7.797 ( 9.289 7.853 0.000) 12.164 8.018 ( -5.148 7.870 0.000) 9.404 8.199 ( -9.656 4.384 0.000) 10.604 8.504 ( 16.343 13.182 0.000) 20.997 8.644 ( 0.343 5.153 0.000) 5.164 8.766 ( -3.467 7.915 0.000) 8.641 8.960 ( 2.113 10.144 0.000) 10.361 9.119 ( -5.445 6.116 0.000) 8.189 9.207 ( 1.527 16.069 0.000) 16.142 9.476 ( 8.477 1.746 0.000) 8.655 9.532 ( 2.119 -20.388 0.000) 20.498 9.627 ( 11.451 -0.356 0.000) 11.457 9.695 ( -0.048 -20.913 0.000) 20.913 9.791 ( -3.313 0.587 0.000) 3.365 9.956 ( -8.369 5.750 0.000) 10.154 10.047 ( -7.247 11.543 0.000) 13.629 10.202 ( -0.327 1.764 0.000) 1.794 10.336 ( -0.664 -8.467 0.000) 8.493 10.378 ( -12.379 -0.082 0.000) 12.380 10.586 ( -8.363 -8.874 0.000) 12.194 10.645 ( 3.434 12.369 0.000) 12.837 10.751 ( 1.381 1.788 0.000) 2.259 10.897 ( 8.856 19.558 0.000) 21.470 10.980 ( -13.469 0.151 0.000) 13.470 11.332 ( -3.205 7.897 0.000) 8.522 11.374 ( 6.975 15.651 0.000) 17.135 11.778 ( -1.905 7.941 0.000) 8.166 11.965 ( 1.072 17.443 0.000) 17.476 12.086 ( -3.675 5.837 0.000) 6.898 12.271 ( -8.794 2.231 0.000) 9.073 12.286 ( 2.337 11.621 0.000) 11.854 12.562 ( -0.578 9.881 0.000) 9.897 12.570 ( -9.025 1.197 0.000) 9.104 12.944 ( 8.074 -9.131 0.000) 12.189 13.135 ( -0.079 -8.453 0.000) 8.453 13.287 ( 8.726 -5.751 0.000) 10.450 13.548 ( 0.397 -7.070 0.000) 7.081 14.675 ( 1.847 -4.326 0.000) 4.704 14.768 ( 8.445 -7.740 0.000) 11.455 14.832 ( -1.744 -5.551 0.000) 5.819 15.285 ( -4.378 -12.660 0.000) 13.396 15.774 ( 3.254 16.226 0.000) 16.549 15.884 ( -0.039 6.656 0.000) 6.656 15.918 ( 0.096 8.251 0.000) 8.251 15.963 ( -1.165 3.929 0.000) 4.098 16.442 ( 7.447 -8.982 0.000) 11.668 16.619 ( 1.447 1.102 0.000) 1.818 16.725 ( -1.127 2.190 0.000) 2.463 17.450 ( -16.386 -17.207 0.000) 23.761 18.130 ( 0.589 16.075 0.000) 16.086 18.221 ( -2.718 13.256 0.000) 13.532 19.353 ( 2.785 -14.157 0.000) 14.428 19.388 ( 0.467 -17.625 0.000) 17.632 21.854 ( 3.464 -2.394 0.000) 4.210 22.007 ( 3.876 -4.000 0.000) 5.570 22.210 ( -5.196 -2.615 0.000) 5.817 22.320 ( -3.554 -1.118 0.000) 3.726 23.861 ( -0.968 -5.234 0.000) 5.323 23.882 ( -2.054 0.997 0.000) 2.283 24.040 ( 4.222 -4.506 0.000) 6.175 24.060 ( 3.188 -12.226 0.000) 12.635 ======================= Grid point 27 (18/72) ======================= q-point: ( 0.40 0.36 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.281 ( -1.540 14.193 0.000) 14.277 3.326 ( -5.437 22.227 0.000) 22.882 3.639 ( 3.759 18.594 0.000) 18.970 3.723 ( -4.542 15.212 0.000) 15.875 3.794 ( 1.139 8.812 0.000) 8.885 3.833 ( -2.653 6.635 0.000) 7.145 3.924 ( 7.498 15.995 0.000) 17.666 4.072 ( -7.053 17.118 0.000) 18.514 4.371 ( 2.927 6.010 0.000) 6.685 4.389 ( 2.422 5.383 0.000) 5.903 4.588 ( 2.517 -2.075 0.000) 3.262 4.593 ( 1.120 3.272 0.000) 3.459 4.703 ( 2.792 4.387 0.000) 5.200 4.732 ( 0.337 3.641 0.000) 3.656 4.960 ( 2.369 6.778 0.000) 7.180 4.980 ( -2.606 0.660 0.000) 2.688 5.095 ( -5.937 4.605 0.000) 7.513 5.123 ( -2.153 -6.738 0.000) 7.074 5.310 ( 13.766 2.882 0.000) 14.064 5.646 ( -15.398 0.334 0.000) 15.401 6.059 ( 5.672 7.801 0.000) 9.645 6.110 ( 1.936 5.910 0.000) 6.219 6.255 ( 7.268 3.450 0.000) 8.045 6.355 ( 1.184 11.239 0.000) 11.302 6.465 ( 0.851 -6.760 0.000) 6.813 6.563 ( -5.816 -1.295 0.000) 5.958 6.815 ( -3.968 0.783 0.000) 4.044 6.838 ( -6.655 5.295 0.000) 8.504 7.031 ( 1.876 8.227 0.000) 8.438 7.115 ( -5.926 12.385 0.000) 13.730 7.515 ( 12.009 8.264 0.000) 14.577 7.545 ( 4.033 6.226 0.000) 7.418 7.650 ( 2.362 -2.005 0.000) 3.099 7.730 ( 3.789 0.408 0.000) 3.811 7.775 ( 6.380 -1.664 0.000) 6.593 7.868 ( -7.348 4.669 0.000) 8.706 7.956 ( 0.706 8.462 0.000) 8.492 8.019 ( -4.294 7.873 0.000) 8.968 8.634 ( -0.060 5.363 0.000) 5.363 8.680 ( -4.267 7.235 0.000) 8.400 8.830 ( 14.323 12.801 0.000) 19.210 9.012 ( -5.989 9.132 0.000) 10.920 9.033 ( 5.987 8.173 0.000) 10.131 9.178 ( -5.952 7.192 0.000) 9.335 9.594 ( 3.456 -12.227 0.000) 12.706 9.596 ( 1.549 2.257 0.000) 2.738 9.733 ( -1.634 6.571 0.000) 6.771 9.742 ( 10.187 -6.862 0.000) 12.283 9.836 ( -5.240 -6.431 0.000) 8.296 9.863 ( 1.844 9.863 0.000) 10.034 9.907 ( 0.043 -0.393 0.000) 0.395 10.055 ( -13.324 -1.843 0.000) 13.451 10.294 ( 8.811 -1.624 0.000) 8.959 10.355 ( 2.374 -9.141 0.000) 9.445 10.435 ( -5.926 -7.271 0.000) 9.380 10.625 ( -18.702 -0.539 0.000) 18.710 10.720 ( 1.244 10.112 0.000) 10.189 10.755 ( -1.018 6.653 0.000) 6.731 11.070 ( 8.727 16.175 0.000) 18.379 11.227 ( -7.170 12.393 0.000) 14.318 11.554 ( 11.201 12.702 0.000) 16.935 11.764 ( -5.730 7.397 0.000) 9.357 11.875 ( -1.607 14.147 0.000) 14.238 11.974 ( -7.090 8.719 0.000) 11.238 12.247 ( 4.042 3.504 0.000) 5.350 12.323 ( -1.236 4.079 0.000) 4.262 12.452 ( -0.929 7.996 0.000) 8.049 12.508 ( -4.050 9.324 0.000) 10.165 13.071 ( 4.764 -9.377 0.000) 10.518 13.128 ( -1.272 -9.185 0.000) 9.272 13.448 ( 6.803 -5.736 0.000) 8.898 13.535 ( -2.233 -6.560 0.000) 6.929 14.724 ( 3.060 -4.367 0.000) 5.333 14.785 ( -2.981 -4.996 0.000) 5.817 14.965 ( 10.784 -9.787 0.000) 14.562 15.158 ( -8.536 -11.539 0.000) 14.353 15.843 ( 3.332 12.808 0.000) 13.235 15.885 ( -0.568 7.568 0.000) 7.589 15.915 ( 0.105 8.269 0.000) 8.269 15.935 ( -1.508 5.076 0.000) 5.295 16.649 ( 4.573 0.812 0.000) 4.645 16.679 ( 13.905 -8.669 0.000) 16.386 16.694 ( -1.961 1.883 0.000) 2.718 17.057 ( -21.821 -12.427 0.000) 25.111 18.147 ( 1.154 16.035 0.000) 16.076 18.176 ( -1.855 15.588 0.000) 15.698 19.393 ( 1.055 -16.393 0.000) 16.427 19.397 ( 0.371 -17.294 0.000) 17.298 21.949 ( 6.188 -1.947 0.000) 6.487 22.084 ( -7.233 -1.933 0.000) 7.486 22.107 ( 6.058 -3.295 0.000) 6.896 22.226 ( -5.852 -2.279 0.000) 6.281 23.850 ( -0.117 -2.720 0.000) 2.722 23.856 ( -0.750 -0.151 0.000) 0.765 24.105 ( 2.050 -8.745 0.000) 8.982 24.111 ( 1.462 -11.395 0.000) 11.489 ======================= Grid point 30 (19/72) ======================= q-point: ( 0.00 0.43 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.509 ( 0.000 -0.228 0.000) 0.228 3.673 ( 0.000 -8.025 0.000) 8.025 3.856 ( 0.000 8.979 0.000) 8.979 3.930 ( 0.000 15.197 0.000) 15.197 3.937 ( 0.000 3.564 0.000) 3.564 4.090 ( 0.000 9.696 0.000) 9.696 4.166 ( 0.000 20.218 0.000) 20.218 4.320 ( 0.000 9.648 0.000) 9.648 4.340 ( 0.000 2.820 0.000) 2.820 4.441 ( 0.000 2.542 0.000) 2.542 4.554 ( 0.000 11.062 0.000) 11.062 4.642 ( 0.000 1.889 0.000) 1.889 4.716 ( 0.000 -5.724 0.000) 5.724 4.737 ( 0.000 2.758 0.000) 2.758 4.758 ( 0.000 0.579 0.000) 0.579 4.881 ( 0.000 -7.878 0.000) 7.878 5.090 ( 0.000 -0.663 0.000) 0.663 5.293 ( 0.000 -7.301 0.000) 7.301 5.656 ( 0.000 5.978 0.000) 5.978 5.982 ( 0.000 -4.887 0.000) 4.887 6.044 ( 0.000 8.819 0.000) 8.819 6.063 ( 0.000 4.064 0.000) 4.064 6.076 ( 0.000 7.341 0.000) 7.341 6.114 ( 0.000 4.096 0.000) 4.096 6.820 ( 0.000 4.922 0.000) 4.922 6.989 ( 0.000 3.035 0.000) 3.035 7.001 ( 0.000 0.586 0.000) 0.586 7.066 ( 0.000 12.649 0.000) 12.649 7.070 ( 0.000 -1.994 0.000) 1.994 7.233 ( 0.000 1.325 0.000) 1.325 7.259 ( 0.000 1.004 0.000) 1.004 7.452 ( 0.000 10.484 0.000) 10.484 7.614 ( 0.000 7.477 0.000) 7.477 7.624 ( 0.000 -9.206 0.000) 9.206 7.688 ( 0.000 3.203 0.000) 3.203 7.825 ( 0.000 4.625 0.000) 4.625 8.254 ( 0.000 6.526 0.000) 6.526 8.335 ( 0.000 -0.032 0.000) 0.032 8.464 ( 0.000 2.889 0.000) 2.889 8.507 ( 0.000 -13.981 0.000) 13.981 8.844 ( 0.000 -11.357 0.000) 11.357 8.905 ( 0.000 1.138 0.000) 1.138 9.269 ( 0.000 -3.401 0.000) 3.401 9.310 ( 0.000 -2.355 0.000) 2.355 9.398 ( 0.000 9.339 0.000) 9.339 9.454 ( 0.000 8.347 0.000) 8.347 9.522 ( 0.000 3.129 0.000) 3.129 9.574 ( 0.000 12.197 0.000) 12.197 9.905 ( 0.000 1.916 0.000) 1.916 10.038 ( 0.000 -8.128 0.000) 8.128 10.187 ( 0.000 3.496 0.000) 3.496 10.188 ( 0.000 -2.465 0.000) 2.465 10.493 ( 0.000 -9.418 0.000) 9.418 10.493 ( 0.000 -2.940 0.000) 2.940 10.542 ( 0.000 17.048 0.000) 17.048 10.744 ( 0.000 8.402 0.000) 8.402 10.817 ( 0.000 6.799 0.000) 6.799 11.061 ( 0.000 -3.730 0.000) 3.730 11.094 ( 0.000 4.474 0.000) 4.474 11.293 ( 0.000 -10.361 0.000) 10.361 11.677 ( 0.000 17.747 0.000) 17.747 11.927 ( 0.000 6.944 0.000) 6.944 12.142 ( 0.000 -2.862 0.000) 2.862 12.264 ( 0.000 -4.881 0.000) 4.881 12.440 ( 0.000 20.178 0.000) 20.178 12.486 ( 0.000 -7.235 0.000) 7.235 12.505 ( 0.000 7.402 0.000) 7.402 12.792 ( 0.000 7.069 0.000) 7.069 12.908 ( 0.000 8.545 0.000) 8.545 13.001 ( 0.000 -4.724 0.000) 4.724 13.074 ( 0.000 -5.264 0.000) 5.264 13.368 ( 0.000 -10.725 0.000) 10.725 14.558 ( 0.000 -3.138 0.000) 3.138 14.584 ( 0.000 -4.276 0.000) 4.276 14.807 ( 0.000 1.791 0.000) 1.791 15.094 ( 0.000 -10.823 0.000) 10.823 16.018 ( 0.000 8.758 0.000) 8.758 16.028 ( 0.000 6.560 0.000) 6.560 16.041 ( 0.000 2.997 0.000) 2.997 16.050 ( 0.000 5.732 0.000) 5.732 16.320 ( 0.000 4.600 0.000) 4.600 16.598 ( 0.000 -2.725 0.000) 2.725 16.815 ( 0.000 5.689 0.000) 5.689 17.254 ( 0.000 -17.227 0.000) 17.227 18.436 ( 0.000 15.874 0.000) 15.874 18.504 ( 0.000 13.893 0.000) 13.893 19.051 ( 0.000 -16.307 0.000) 16.307 19.059 ( 0.000 -14.001 0.000) 14.001 21.784 ( 0.000 -0.759 0.000) 0.759 21.870 ( 0.000 -4.847 0.000) 4.847 22.192 ( 0.000 -2.939 0.000) 2.939 22.278 ( 0.000 -5.842 0.000) 5.842 23.790 ( 0.000 -2.658 0.000) 2.658 23.844 ( 0.000 -6.018 0.000) 6.018 23.919 ( 0.000 -0.042 0.000) 0.042 23.952 ( 0.000 -1.363 0.000) 1.363 ======================= Grid point 31 (20/72) ======================= q-point: ( 0.20 0.43 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.482 ( 0.193 5.621 0.000) 5.624 3.783 ( 7.672 -7.618 0.000) 10.812 3.821 ( -3.787 11.223 0.000) 11.845 3.930 ( -0.586 3.931 0.000) 3.974 3.935 ( 0.548 14.773 0.000) 14.783 4.102 ( -5.287 18.108 0.000) 18.864 4.104 ( 1.681 9.214 0.000) 9.366 4.349 ( 3.426 6.295 0.000) 7.167 4.375 ( 2.728 3.707 0.000) 4.603 4.471 ( 2.209 4.834 0.000) 5.315 4.511 ( -4.340 5.643 0.000) 7.119 4.643 ( -4.093 -5.067 0.000) 6.514 4.720 ( 5.822 4.211 0.000) 7.185 4.728 ( -0.279 1.438 0.000) 1.464 4.835 ( 4.736 -3.441 0.000) 5.854 4.874 ( -0.230 -7.996 0.000) 8.000 5.078 ( -0.413 0.683 0.000) 0.798 5.265 ( -1.557 -4.954 0.000) 5.193 5.509 ( -11.752 9.176 0.000) 14.910 5.850 ( -10.180 -5.333 0.000) 11.492 6.086 ( 5.046 6.880 0.000) 8.532 6.118 ( 4.147 5.534 0.000) 6.916 6.174 ( 5.378 3.370 0.000) 6.346 6.241 ( 9.909 -0.389 0.000) 9.917 6.692 ( -8.596 9.510 0.000) 12.820 6.816 ( -10.274 5.765 0.000) 11.781 6.973 ( -6.626 2.727 0.000) 7.165 7.018 ( -4.090 -1.078 0.000) 4.230 7.100 ( 2.330 6.537 0.000) 6.939 7.357 ( 12.074 4.530 0.000) 12.896 7.458 ( 14.433 -1.402 0.000) 14.501 7.459 ( -1.820 11.687 0.000) 11.828 7.594 ( 1.060 8.136 0.000) 8.205 7.617 ( 0.669 -8.227 0.000) 8.254 7.697 ( 0.703 0.851 0.000) 1.104 7.927 ( 7.890 3.011 0.000) 8.445 8.168 ( -5.295 7.705 0.000) 9.349 8.269 ( -6.204 2.501 0.000) 6.689 8.508 ( -0.693 -15.194 0.000) 15.210 8.605 ( 6.002 -11.135 0.000) 12.650 8.829 ( 3.988 4.249 0.000) 5.827 8.988 ( 5.421 0.367 0.000) 5.433 9.214 ( -4.376 0.077 0.000) 4.376 9.277 ( -2.713 -1.665 0.000) 3.183 9.453 ( 5.771 10.180 0.000) 11.702 9.531 ( 6.003 5.704 0.000) 8.281 9.609 ( 4.017 8.729 0.000) 9.608 9.634 ( 10.691 0.949 0.000) 10.733 9.846 ( -4.082 2.800 0.000) 4.950 10.067 ( 1.918 -7.998 0.000) 8.225 10.095 ( -7.844 6.285 0.000) 10.051 10.185 ( -0.807 -3.460 0.000) 3.553 10.336 ( -13.309 -3.760 0.000) 13.830 10.409 ( -6.585 -7.992 0.000) 10.355 10.450 ( -8.941 16.946 0.000) 19.160 10.806 ( -2.939 2.846 0.000) 4.091 10.813 ( 4.400 7.592 0.000) 8.775 10.965 ( -8.139 0.499 0.000) 8.155 11.156 ( 4.900 2.956 0.000) 5.723 11.308 ( 0.920 -9.110 0.000) 9.156 11.711 ( 3.484 15.863 0.000) 16.241 11.887 ( -2.734 6.263 0.000) 6.834 12.127 ( -2.044 -3.070 0.000) 3.688 12.194 ( -7.036 -7.040 0.000) 9.954 12.415 ( -0.965 22.802 0.000) 22.822 12.442 ( -2.693 0.657 0.000) 2.772 12.538 ( 2.426 4.722 0.000) 5.309 12.760 ( -3.110 6.290 0.000) 7.017 12.944 ( 3.145 5.866 0.000) 6.656 13.018 ( 1.345 -2.774 0.000) 3.083 13.166 ( 7.461 -7.061 0.000) 10.273 13.375 ( 0.395 -10.838 0.000) 10.845 14.598 ( 2.952 -2.788 0.000) 4.061 14.641 ( 6.383 -4.905 0.000) 8.050 14.789 ( -1.845 1.509 0.000) 2.384 15.058 ( -3.631 -10.410 0.000) 11.025 16.020 ( -0.516 6.545 0.000) 6.565 16.021 ( 0.129 6.848 0.000) 6.849 16.041 ( 0.202 4.383 0.000) 4.387 16.057 ( 0.409 5.424 0.000) 5.440 16.387 ( 6.916 3.677 0.000) 7.833 16.618 ( 1.987 -2.150 0.000) 2.928 16.793 ( -2.138 4.629 0.000) 5.099 17.139 ( -11.058 -13.991 0.000) 17.833 18.442 ( 0.543 15.841 0.000) 15.850 18.495 ( -0.811 14.441 0.000) 14.463 19.056 ( 0.541 -16.324 0.000) 16.333 19.069 ( 0.725 -14.854 0.000) 14.871 21.818 ( 3.397 -0.832 0.000) 3.498 21.910 ( 3.897 -5.068 0.000) 6.393 22.146 ( -4.427 -2.564 0.000) 5.116 22.238 ( -3.984 -5.869 0.000) 7.094 23.794 ( 0.775 -1.703 0.000) 1.871 23.880 ( 2.993 -6.531 0.000) 7.184 23.896 ( -1.727 0.695 0.000) 1.861 23.968 ( 0.854 -3.076 0.000) 3.192 ======================= Grid point 32 (21/72) ======================= q-point: ( 0.40 0.43 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.551 ( 6.600 13.287 0.000) 14.836 3.704 ( -7.902 15.452 0.000) 17.356 3.889 ( 2.754 -0.791 0.000) 2.865 3.917 ( -0.779 3.260 0.000) 3.352 3.957 ( 1.768 13.588 0.000) 13.702 4.007 ( -3.744 14.567 0.000) 15.040 4.181 ( 6.676 8.128 0.000) 10.518 4.342 ( -8.618 9.228 0.000) 12.627 4.437 ( 4.033 0.586 0.000) 4.075 4.445 ( 2.079 0.807 0.000) 2.230 4.538 ( 2.062 -1.928 0.000) 2.823 4.569 ( -2.912 -3.560 0.000) 4.599 4.723 ( 0.264 -1.219 0.000) 1.248 4.762 ( -2.191 -0.222 0.000) 2.202 4.904 ( 3.385 -7.816 0.000) 8.518 4.937 ( 3.452 -6.695 0.000) 7.533 5.092 ( 3.519 6.491 0.000) 7.384 5.271 ( -12.082 10.423 0.000) 15.956 5.335 ( 10.287 -1.542 0.000) 10.402 5.600 ( -14.809 -4.598 0.000) 15.506 6.195 ( 5.027 5.803 0.000) 7.678 6.209 ( 3.884 4.010 0.000) 5.582 6.282 ( 4.596 0.195 0.000) 4.600 6.343 ( -0.675 -4.706 0.000) 4.754 6.598 ( -0.283 12.800 0.000) 12.803 6.646 ( -5.924 8.727 0.000) 10.548 6.857 ( -3.212 1.583 0.000) 3.581 6.900 ( -6.237 0.539 0.000) 6.260 7.192 ( 7.042 8.815 0.000) 11.283 7.347 ( -7.996 10.793 0.000) 13.432 7.579 ( 3.555 -5.716 0.000) 6.732 7.616 ( -0.834 -0.441 0.000) 0.943 7.664 ( 13.713 6.198 0.000) 15.049 7.755 ( 4.081 4.518 0.000) 6.088 7.769 ( 10.546 0.151 0.000) 10.547 7.972 ( -7.928 4.102 0.000) 8.926 8.095 ( -0.912 6.352 0.000) 6.417 8.146 ( -4.084 4.509 0.000) 6.084 8.491 ( 0.892 -17.494 0.000) 17.517 8.572 ( -5.598 -18.038 0.000) 18.887 9.022 ( 10.247 5.729 0.000) 11.739 9.084 ( 4.952 4.742 0.000) 6.856 9.134 ( -3.778 0.808 0.000) 3.863 9.204 ( -5.298 3.432 0.000) 6.313 9.606 ( 7.519 11.557 0.000) 13.787 9.626 ( 3.012 6.628 0.000) 7.280 9.755 ( 11.448 2.397 0.000) 11.696 9.807 ( 1.864 1.917 0.000) 2.674 9.814 ( 0.583 2.608 0.000) 2.673 9.987 ( 0.133 3.143 0.000) 3.145 10.034 ( -14.985 -0.731 0.000) 15.003 10.070 ( -3.608 -0.974 0.000) 3.737 10.221 ( 4.911 -5.037 0.000) 7.035 10.264 ( -6.147 6.671 0.000) 9.071 10.314 ( 0.136 -4.865 0.000) 4.867 10.577 ( -18.214 -3.897 0.000) 18.626 10.872 ( 1.695 8.043 0.000) 8.219 10.889 ( -0.642 8.461 0.000) 8.486 11.246 ( 3.974 -0.338 0.000) 3.988 11.303 ( -1.720 -5.102 0.000) 5.384 11.803 ( 5.346 9.894 0.000) 11.245 11.864 ( -0.275 4.230 0.000) 4.239 12.052 ( -5.282 -0.387 0.000) 5.296 12.058 ( -4.162 -1.288 0.000) 4.356 12.408 ( -0.141 15.730 0.000) 15.731 12.409 ( -0.559 7.831 0.000) 7.851 12.601 ( 4.008 6.128 0.000) 7.322 12.685 ( -4.334 6.328 0.000) 7.670 13.005 ( 2.593 2.123 0.000) 3.351 13.032 ( -0.189 -0.487 0.000) 0.522 13.300 ( 5.468 -9.332 0.000) 10.816 13.367 ( -1.606 -10.610 0.000) 10.731 14.665 ( 3.835 -1.035 0.000) 3.972 14.737 ( -3.343 0.587 0.000) 3.394 14.797 ( 8.729 -7.092 0.000) 11.247 14.954 ( -6.968 -9.128 0.000) 11.484 16.014 ( -0.015 6.002 0.000) 6.002 16.018 ( -0.326 5.301 0.000) 5.311 16.051 ( 0.638 5.477 0.000) 5.514 16.060 ( -0.183 5.222 0.000) 5.225 16.584 ( 13.018 -0.099 0.000) 13.018 16.671 ( 3.272 -0.434 0.000) 3.301 16.737 ( -3.362 2.137 0.000) 3.984 16.869 ( -15.443 -6.844 0.000) 16.892 18.456 ( 0.932 15.684 0.000) 15.712 18.476 ( -1.057 15.247 0.000) 15.283 19.069 ( 0.659 -16.313 0.000) 16.327 19.077 ( -0.008 -15.953 0.000) 15.953 21.911 ( 5.926 -1.144 0.000) 6.035 22.011 ( 6.160 -5.507 0.000) 8.262 22.036 ( -6.519 -1.786 0.000) 6.759 22.135 ( -6.224 -5.812 0.000) 8.516 23.821 ( 1.864 -0.230 0.000) 1.878 23.860 ( -1.996 0.710 0.000) 2.119 23.938 ( 2.585 -6.612 0.000) 7.099 23.971 ( -0.704 -5.334 0.000) 5.380 ======================= Grid point 35 (22/72) ======================= 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.546 ( 0.000 -4.337 0.000) 4.337 3.546 ( 0.000 4.337 0.000) 4.337 3.953 ( 0.000 -1.843 0.000) 1.843 3.953 ( 0.000 1.843 0.000) 1.843 4.137 ( 0.000 -4.985 0.000) 4.985 4.137 ( 0.000 4.985 0.000) 4.985 4.368 ( 0.000 -0.538 0.000) 0.538 4.368 ( 0.000 0.538 0.000) 0.538 4.508 ( 0.000 -9.592 0.000) 9.592 4.508 ( 0.000 9.592 0.000) 9.592 4.621 ( 0.000 -13.481 0.000) 13.481 4.621 ( 0.000 13.481 0.000) 13.481 4.730 ( 0.000 -2.375 0.000) 2.375 4.730 ( 0.000 2.375 0.000) 2.375 4.737 ( 0.000 -2.343 0.000) 2.343 4.737 ( 0.000 2.343 0.000) 2.343 5.150 ( 0.000 -6.324 0.000) 6.324 5.150 ( 0.000 6.324 0.000) 6.324 5.801 ( 0.000 -9.391 0.000) 9.391 5.801 ( 0.000 9.391 0.000) 9.391 6.130 ( 0.000 -0.041 0.000) 0.041 6.130 ( 0.000 0.042 0.000) 0.042 6.161 ( 0.000 -0.672 0.000) 0.672 6.161 ( 0.000 0.672 0.000) 0.672 6.981 ( 0.000 -7.764 0.000) 7.764 6.981 ( 0.000 7.764 0.000) 7.764 7.008 ( 0.000 -0.190 0.000) 0.190 7.008 ( 0.000 0.191 0.000) 0.191 7.264 ( 0.000 -0.710 0.000) 0.710 7.264 ( 0.000 0.710 0.000) 0.710 7.344 ( 0.000 -16.204 0.000) 16.204 7.344 ( 0.000 16.204 0.000) 16.204 7.653 ( 0.000 -7.575 0.000) 7.575 7.653 ( 0.000 7.575 0.000) 7.575 7.771 ( 0.000 -8.228 0.000) 8.228 7.771 ( 0.000 8.228 0.000) 8.228 8.332 ( 0.000 -1.821 0.000) 1.821 8.332 ( 0.000 1.821 0.000) 1.821 8.377 ( 0.000 -6.774 0.000) 6.774 8.377 ( 0.000 6.774 0.000) 6.774 8.845 ( 0.000 -5.608 0.000) 5.608 8.845 ( 0.000 5.609 0.000) 5.609 9.258 ( 0.000 -2.035 0.000) 2.035 9.258 ( 0.000 2.036 0.000) 2.036 9.547 ( 0.000 -3.138 0.000) 3.138 9.547 ( 0.000 3.138 0.000) 3.138 9.643 ( 0.000 -6.024 0.000) 6.024 9.643 ( 0.000 6.024 0.000) 6.024 9.930 ( 0.000 -1.777 0.000) 1.777 9.930 ( 0.000 1.777 0.000) 1.777 10.174 ( 0.000 -2.317 0.000) 2.317 10.174 ( 0.000 2.317 0.000) 2.317 10.431 ( 0.000 -2.150 0.000) 2.150 10.431 ( 0.000 2.150 0.000) 2.150 10.841 ( 0.000 -7.667 0.000) 7.667 10.841 ( 0.000 7.667 0.000) 7.667 10.977 ( 0.000 -12.597 0.000) 12.597 10.977 ( 0.000 12.597 0.000) 12.597 11.057 ( 0.000 -7.724 0.000) 7.724 11.057 ( 0.000 7.724 0.000) 7.724 11.973 ( 0.000 -12.653 0.000) 12.653 11.973 ( 0.000 12.653 0.000) 12.653 12.096 ( 0.000 -9.553 0.000) 9.553 12.096 ( 0.000 9.553 0.000) 9.553 12.511 ( 0.000 -4.660 0.000) 4.660 12.511 ( 0.000 4.661 0.000) 4.661 12.769 ( 0.000 -9.901 0.000) 9.901 12.769 ( 0.000 9.901 0.000) 9.901 12.983 ( 0.000 -2.606 0.000) 2.606 12.983 ( 0.000 2.606 0.000) 2.606 13.128 ( 0.000 -13.140 0.000) 13.140 13.128 ( 0.000 13.140 0.000) 13.140 14.534 ( 0.000 -0.669 0.000) 0.669 14.534 ( 0.000 0.669 0.000) 0.669 14.908 ( 0.000 -7.923 0.000) 7.923 14.908 ( 0.000 7.924 0.000) 7.924 16.079 ( 0.000 -0.416 0.000) 0.416 16.079 ( 0.000 0.416 0.000) 0.416 16.106 ( 0.000 -0.639 0.000) 0.639 16.106 ( 0.000 0.639 0.000) 0.639 16.483 ( 0.000 -8.776 0.000) 8.776 16.483 ( 0.000 8.776 0.000) 8.776 16.974 ( 0.000 -11.174 0.000) 11.174 16.974 ( 0.000 11.174 0.000) 11.174 18.742 ( 0.000 -15.589 0.000) 15.589 18.742 ( 0.000 15.589 0.000) 15.589 18.781 ( 0.000 -14.377 0.000) 14.377 18.781 ( 0.000 14.377 0.000) 14.377 21.798 ( 0.000 -2.282 0.000) 2.282 21.798 ( 0.000 2.282 0.000) 2.282 22.186 ( 0.000 -2.604 0.000) 2.604 22.186 ( 0.000 2.604 0.000) 2.604 23.775 ( 0.000 -1.279 0.000) 1.279 23.775 ( 0.000 1.279 0.000) 1.279 23.928 ( 0.000 -0.958 0.000) 0.958 23.928 ( 0.000 0.958 0.000) 0.958 ======================= Grid point 37 (23/72) ======================= q-point: ( 0.20 -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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.618 ( 6.960 -8.242 0.000) 10.788 3.618 ( 6.960 8.242 0.000) 10.788 3.943 ( -1.053 -2.501 0.000) 2.714 3.943 ( -1.053 2.501 0.000) 2.714 4.140 ( 0.496 -5.349 0.000) 5.372 4.140 ( 0.496 5.349 0.000) 5.372 4.366 ( -0.878 -6.141 0.000) 6.204 4.366 ( -0.878 6.141 0.000) 6.204 4.497 ( -0.800 -8.343 0.000) 8.382 4.497 ( -0.800 8.343 0.000) 8.382 4.566 ( -5.076 -7.177 0.000) 8.791 4.566 ( -5.076 7.177 0.000) 8.791 4.729 ( 0.500 -1.852 0.000) 1.918 4.729 ( 0.500 1.852 0.000) 1.918 4.783 ( 3.510 -2.629 0.000) 4.385 4.783 ( 3.510 2.629 0.000) 4.386 5.150 ( 0.976 -6.045 0.000) 6.123 5.150 ( 0.976 6.045 0.000) 6.123 5.690 ( -9.894 -9.533 0.000) 13.739 5.690 ( -9.894 9.533 0.000) 13.739 6.194 ( 5.105 -3.943 0.000) 6.450 6.194 ( 5.105 3.943 0.000) 6.450 6.197 ( 3.361 -1.758 0.000) 3.793 6.197 ( 3.361 1.758 0.000) 3.793 6.904 ( -5.723 -8.647 0.000) 10.370 6.904 ( -5.723 8.647 0.000) 10.370 6.941 ( -5.905 -6.214 0.000) 8.572 6.941 ( -5.905 6.214 0.000) 8.572 7.331 ( 1.026 -14.227 0.000) 14.264 7.331 ( 1.026 14.227 0.000) 14.264 7.445 ( 14.311 -4.058 0.000) 14.875 7.445 ( 14.311 4.058 0.000) 14.875 7.639 ( -3.423 -6.002 0.000) 6.910 7.639 ( -3.423 6.002 0.000) 6.910 7.818 ( 5.670 -12.421 0.000) 13.654 7.818 ( 5.670 12.421 0.000) 13.654 8.312 ( -2.677 -3.570 0.000) 4.463 8.312 ( -2.677 3.571 0.000) 4.463 8.340 ( -3.549 -10.963 0.000) 11.523 8.340 ( -3.549 10.963 0.000) 11.523 8.954 ( 9.117 -5.014 0.000) 10.405 8.954 ( 9.117 5.015 0.000) 10.405 9.234 ( -2.029 -2.612 0.000) 3.308 9.234 ( -2.029 2.612 0.000) 3.308 9.622 ( 7.756 -4.403 0.000) 8.918 9.622 ( 7.756 4.403 0.000) 8.918 9.667 ( 2.511 -4.118 0.000) 4.823 9.667 ( 2.511 4.118 0.000) 4.823 9.920 ( -0.560 -5.793 0.000) 5.820 9.920 ( -0.560 5.793 0.000) 5.820 10.149 ( -2.957 -0.381 0.000) 2.981 10.149 ( -2.957 0.381 0.000) 2.981 10.300 ( -10.598 -2.955 0.000) 11.002 10.300 ( -10.598 2.955 0.000) 11.002 10.742 ( -10.320 -9.583 0.000) 14.083 10.742 ( -10.320 9.583 0.000) 14.083 11.031 ( 3.909 -12.263 0.000) 12.871 11.031 ( 3.909 12.263 0.000) 12.871 11.072 ( 1.412 -11.158 0.000) 11.247 11.072 ( 1.412 11.158 0.000) 11.247 11.970 ( -0.350 -11.126 0.000) 11.132 11.970 ( -0.350 11.126 0.000) 11.132 12.037 ( -4.659 -8.556 0.000) 9.742 12.037 ( -4.659 8.556 0.000) 9.742 12.531 ( 2.167 -5.630 0.000) 6.033 12.531 ( 2.167 5.630 0.000) 6.033 12.743 ( -2.540 -9.203 0.000) 9.547 12.743 ( -2.540 9.204 0.000) 9.548 13.036 ( 4.366 -4.769 0.000) 6.466 13.036 ( 4.366 4.769 0.000) 6.466 13.137 ( 0.704 -12.637 0.000) 12.656 13.137 ( 0.704 12.637 0.000) 12.656 14.582 ( 4.573 -1.176 0.000) 4.721 14.582 ( 4.573 1.177 0.000) 4.722 14.882 ( -2.695 -7.435 0.000) 7.909 14.882 ( -2.695 7.435 0.000) 7.909 16.081 ( 0.225 -0.880 0.000) 0.909 16.081 ( 0.225 0.881 0.000) 0.909 16.103 ( -0.269 -1.185 0.000) 1.215 16.103 ( -0.269 1.185 0.000) 1.215 16.522 ( 3.911 -7.405 0.000) 8.374 16.522 ( 3.911 7.406 0.000) 8.375 16.918 ( -5.510 -8.652 0.000) 10.258 16.918 ( -5.510 8.652 0.000) 10.258 18.747 ( 0.499 -15.600 0.000) 15.608 18.747 ( 0.499 15.600 0.000) 15.608 18.779 ( -0.165 -14.734 0.000) 14.735 18.779 ( -0.165 14.734 0.000) 14.735 21.833 ( 3.458 -2.477 0.000) 4.254 21.833 ( 3.458 2.477 0.000) 4.254 22.145 ( -3.996 -2.695 0.000) 4.820 22.145 ( -3.996 2.695 0.000) 4.820 23.797 ( 2.096 -2.129 0.000) 2.988 23.797 ( 2.096 2.129 0.000) 2.988 23.919 ( -0.878 -1.834 0.000) 2.033 23.919 ( -0.878 1.834 0.000) 2.033 ======================= Grid point 39 (24/72) ======================= q-point: ( 0.40 -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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.781 ( 8.507 -9.544 0.000) 12.785 3.781 ( 8.507 9.544 0.000) 12.785 3.902 ( -3.691 -5.072 0.000) 6.273 3.902 ( -3.691 5.072 0.000) 6.273 4.174 ( 3.596 -7.682 0.000) 8.482 4.174 ( 3.596 7.682 0.000) 8.482 4.288 ( -6.971 -12.588 0.000) 14.390 4.288 ( -6.971 12.588 0.000) 14.390 4.485 ( -0.356 -4.379 0.000) 4.394 4.485 ( -0.356 4.379 0.000) 4.394 4.491 ( -1.513 -4.159 0.000) 4.426 4.491 ( -1.513 4.159 0.000) 4.426 4.762 ( 2.742 -5.854 0.000) 6.465 4.762 ( 2.742 5.854 0.000) 6.465 4.811 ( -1.274 -5.256 0.000) 5.408 4.811 ( -1.274 5.256 0.000) 5.408 5.242 ( 8.989 -7.276 0.000) 11.565 5.242 ( 8.989 7.276 0.000) 11.565 5.463 ( -12.506 -9.004 0.000) 15.410 5.463 ( -12.506 9.004 0.000) 15.410 6.267 ( 3.025 -1.918 0.000) 3.582 6.267 ( 3.025 1.918 0.000) 3.582 6.277 ( 2.424 -2.943 0.000) 3.813 6.277 ( 2.424 2.943 0.000) 3.813 6.809 ( -2.744 -7.232 0.000) 7.735 6.809 ( -2.744 7.232 0.000) 7.735 6.828 ( -4.409 -7.861 0.000) 9.013 6.828 ( -4.409 7.861 0.000) 9.013 7.396 ( 5.697 -11.670 0.000) 12.987 7.396 ( 5.697 11.670 0.000) 12.987 7.528 ( -7.077 -7.495 0.000) 10.308 7.528 ( -7.077 7.495 0.000) 10.308 7.753 ( 15.328 -2.533 0.000) 15.536 7.753 ( 15.328 2.533 0.000) 15.536 7.920 ( 1.028 -9.824 0.000) 9.877 7.920 ( 1.028 9.824 0.000) 9.877 8.226 ( -4.021 -6.173 0.000) 7.367 8.226 ( -4.021 6.173 0.000) 7.367 8.253 ( -4.833 -11.611 0.000) 12.576 8.253 ( -4.833 11.611 0.000) 12.576 9.115 ( 6.253 -2.586 0.000) 6.767 9.115 ( 6.253 2.587 0.000) 6.767 9.193 ( -2.396 -3.734 0.000) 4.437 9.193 ( -2.396 3.734 0.000) 4.437 9.748 ( 6.013 -4.053 0.000) 7.252 9.748 ( 6.013 4.053 0.000) 7.252 9.801 ( 6.345 -5.173 0.000) 8.186 9.801 ( 6.344 5.173 0.000) 8.186 9.926 ( 1.134 -8.648 0.000) 8.722 9.926 ( 1.134 8.648 0.000) 8.722 10.001 ( -9.538 -1.472 0.000) 9.651 10.001 ( -9.538 1.472 0.000) 9.651 10.217 ( 4.906 -4.389 0.000) 6.582 10.217 ( 4.906 4.389 0.000) 6.582 10.463 ( -16.703 -8.503 0.000) 18.743 10.463 ( -16.703 8.503 0.000) 18.743 11.089 ( 1.742 -12.573 0.000) 12.693 11.089 ( 1.742 12.573 0.000) 12.693 11.097 ( 0.723 -12.841 0.000) 12.862 11.097 ( 0.723 12.841 0.000) 12.862 11.959 ( -0.546 -7.100 0.000) 7.121 11.959 ( -0.546 7.100 0.000) 7.121 11.967 ( -1.883 -6.024 0.000) 6.311 11.967 ( -1.883 6.024 0.000) 6.312 12.593 ( 4.050 -7.247 0.000) 8.302 12.593 ( 4.050 7.247 0.000) 8.302 12.676 ( -4.114 -8.296 0.000) 9.260 12.676 ( -4.114 8.297 0.000) 9.261 13.113 ( 2.972 -8.382 0.000) 8.893 13.113 ( 2.972 8.382 0.000) 8.893 13.144 ( -0.346 -11.063 0.000) 11.068 13.144 ( -0.346 11.063 0.000) 11.068 14.692 ( 6.228 -3.617 0.000) 7.202 14.692 ( 6.228 3.618 0.000) 7.203 14.805 ( -5.097 -5.957 0.000) 7.840 14.805 ( -5.097 5.958 0.000) 7.840 16.087 ( 0.415 -1.457 0.000) 1.515 16.087 ( 0.415 1.458 0.000) 1.516 16.096 ( -0.443 -1.624 0.000) 1.684 16.096 ( -0.443 1.624 0.000) 1.684 16.630 ( 7.011 -3.329 0.000) 7.761 16.630 ( 7.011 3.330 0.000) 7.761 16.781 ( -7.983 -2.758 0.000) 8.446 16.781 ( -7.983 2.758 0.000) 8.446 18.760 ( 0.729 -15.567 0.000) 15.584 18.760 ( 0.729 15.567 0.000) 15.584 18.773 ( -0.537 -15.303 0.000) 15.312 18.773 ( -0.537 15.303 0.000) 15.312 21.925 ( 5.744 -2.764 0.000) 6.375 21.925 ( 5.744 2.764 0.000) 6.375 22.043 ( -6.061 -2.826 0.000) 6.687 22.043 ( -6.061 2.826 0.000) 6.687 23.846 ( 2.675 -2.930 0.000) 3.968 23.846 ( 2.675 2.930 0.000) 3.968 23.892 ( -1.940 -2.792 0.000) 3.400 23.892 ( -1.940 2.792 0.000) 3.400 ======================= Grid point 75 (25/72) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.753 ( 0.000 0.000 33.751) 33.751 0.988 ( 0.000 0.000 42.696) 42.696 1.537 ( 0.000 0.000 65.531) 65.531 2.203 ( 0.000 0.000 -27.831) 27.831 2.611 ( 0.000 0.000 -28.691) 28.691 2.891 ( 0.000 0.000 1.814) 1.814 2.948 ( 0.000 0.000 12.563) 12.563 3.159 ( 0.000 0.000 9.289) 9.289 3.469 ( 0.000 0.000 7.355) 7.355 3.496 ( 0.000 0.000 7.245) 7.245 3.803 ( 0.000 0.000 -10.756) 10.756 3.852 ( 0.000 0.000 -3.286) 3.286 4.039 ( 0.000 0.000 -12.450) 12.450 4.060 ( 0.000 0.000 -4.183) 4.183 4.135 ( 0.000 0.000 5.610) 5.610 4.160 ( 0.000 0.000 2.484) 2.484 4.230 ( 0.000 0.000 -0.715) 0.715 4.357 ( 0.000 0.000 -15.477) 15.477 4.400 ( 0.000 0.000 9.551) 9.551 4.845 ( 0.000 0.000 3.814) 3.814 4.944 ( 0.000 0.000 -8.410) 8.410 5.058 ( 0.000 0.000 -4.070) 4.070 5.535 ( 0.000 0.000 14.900) 14.900 5.545 ( 0.000 0.000 2.753) 2.753 5.572 ( 0.000 0.000 1.858) 1.858 5.663 ( 0.000 0.000 -1.648) 1.648 5.943 ( 0.000 0.000 -2.932) 2.932 6.088 ( 0.000 0.000 1.351) 1.351 6.556 ( 0.000 0.000 -5.372) 5.372 6.711 ( 0.000 0.000 -11.266) 11.266 7.021 ( 0.000 0.000 3.310) 3.310 7.250 ( 0.000 0.000 1.490) 1.490 7.307 ( 0.000 0.000 -10.212) 10.212 7.321 ( 0.000 0.000 -3.761) 3.761 7.402 ( 0.000 0.000 -0.533) 0.533 7.571 ( 0.000 0.000 -11.345) 11.345 7.750 ( 0.000 0.000 1.133) 1.133 7.918 ( 0.000 0.000 -2.432) 2.432 8.019 ( 0.000 0.000 0.825) 0.825 8.067 ( 0.000 0.000 -0.841) 0.841 8.228 ( 0.000 0.000 5.343) 5.343 8.434 ( 0.000 0.000 -2.387) 2.387 8.581 ( 0.000 0.000 0.609) 0.609 8.581 ( 0.000 0.000 3.783) 3.783 8.913 ( 0.000 0.000 1.582) 1.582 8.979 ( 0.000 0.000 0.822) 0.822 9.163 ( 0.000 0.000 -3.339) 3.339 9.183 ( 0.000 0.000 15.973) 15.973 9.202 ( 0.000 0.000 -1.637) 1.637 9.436 ( 0.000 0.000 7.124) 7.124 9.598 ( 0.000 0.000 -3.334) 3.334 9.687 ( 0.000 0.000 -3.172) 3.172 10.124 ( 0.000 0.000 9.097) 9.097 10.250 ( 0.000 0.000 8.010) 8.010 10.608 ( 0.000 0.000 -6.561) 6.561 10.663 ( 0.000 0.000 4.586) 4.586 10.794 ( 0.000 0.000 -15.987) 15.987 10.813 ( 0.000 0.000 13.662) 13.662 11.079 ( 0.000 0.000 -11.343) 11.343 11.311 ( 0.000 0.000 -0.138) 0.138 11.315 ( 0.000 0.000 0.353) 0.353 11.592 ( 0.000 0.000 -7.265) 7.265 11.693 ( 0.000 0.000 3.284) 3.284 11.975 ( 0.000 0.000 -6.796) 6.796 12.085 ( 0.000 0.000 16.011) 16.011 13.012 ( 0.000 0.000 16.301) 16.301 13.079 ( 0.000 0.000 15.499) 15.499 13.150 ( 0.000 0.000 -22.365) 22.365 13.260 ( 0.000 0.000 1.555) 1.555 13.484 ( 0.000 0.000 -14.201) 14.201 13.732 ( 0.000 0.000 -10.459) 10.459 13.763 ( 0.000 0.000 -9.888) 9.888 14.120 ( 0.000 0.000 0.856) 0.856 14.269 ( 0.000 0.000 -5.874) 5.874 14.665 ( 0.000 0.000 6.954) 6.954 14.911 ( 0.000 0.000 -2.488) 2.488 15.164 ( 0.000 0.000 6.836) 6.836 15.274 ( 0.000 0.000 -0.591) 0.591 15.394 ( 0.000 0.000 14.811) 14.811 16.037 ( 0.000 0.000 -8.362) 8.362 17.333 ( 0.000 0.000 25.834) 25.834 18.335 ( 0.000 0.000 1.863) 1.863 18.338 ( 0.000 0.000 1.992) 1.992 18.437 ( 0.000 0.000 -1.724) 1.724 18.444 ( 0.000 0.000 -1.755) 1.755 18.498 ( 0.000 0.000 -16.028) 16.028 19.850 ( 0.000 0.000 1.146) 1.146 19.977 ( 0.000 0.000 -3.078) 3.078 20.698 ( 0.000 0.000 3.721) 3.721 21.004 ( 0.000 0.000 -9.527) 9.527 21.440 ( 0.000 0.000 8.365) 8.365 21.682 ( 0.000 0.000 -2.490) 2.490 23.801 ( 0.000 0.000 5.986) 5.986 24.281 ( 0.000 0.000 -13.971) 13.971 25.082 ( 0.000 0.000 15.407) 15.407 25.664 ( 0.000 0.000 -8.111) 8.111 ======================= Grid point 76 (26/72) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( 23.192 0.000 23.164) 32.779 1.217 ( 21.207 0.000 33.766) 39.873 1.885 ( 32.949 0.000 51.434) 61.083 2.273 ( 6.069 0.000 -28.119) 28.766 2.621 ( -3.232 0.000 -19.241) 19.511 2.705 ( -16.215 0.000 13.378) 21.021 2.890 ( -3.285 0.000 1.429) 3.582 2.946 ( -12.996 0.000 3.335) 13.417 3.456 ( -2.567 0.000 6.851) 7.316 3.463 ( -7.321 0.000 -4.838) 8.775 3.538 ( -18.053 0.000 -3.155) 18.327 3.767 ( -3.009 0.000 4.731) 5.607 4.001 ( -4.849 0.000 1.921) 5.215 4.058 ( 9.615 0.000 -11.150) 14.723 4.285 ( 8.478 0.000 -0.584) 8.499 4.293 ( -4.737 0.000 11.265) 12.221 4.340 ( 8.352 0.000 -0.984) 8.410 4.541 ( 20.803 0.000 -6.208) 21.710 4.572 ( 16.318 0.000 -8.678) 18.483 4.927 ( -11.008 0.000 -6.894) 12.989 4.932 ( 8.060 0.000 2.589) 8.465 5.098 ( 4.512 0.000 -3.585) 5.763 5.318 ( -7.229 0.000 5.963) 9.371 5.494 ( -5.128 0.000 2.765) 5.827 5.608 ( -5.501 0.000 -1.555) 5.716 5.616 ( -8.942 0.000 -4.467) 9.996 5.738 ( -2.216 0.000 8.867) 9.140 6.143 ( -2.232 0.000 1.946) 2.961 6.389 ( -10.272 0.000 -4.776) 11.328 6.731 ( -8.846 0.000 -9.928) 13.297 6.898 ( -0.929 0.000 -1.913) 2.127 7.158 ( -3.255 0.000 -7.639) 8.303 7.363 ( 7.897 0.000 0.850) 7.943 7.517 ( 9.884 0.000 1.318) 9.972 7.552 ( 13.540 0.000 0.680) 13.557 7.767 ( 9.920 0.000 -12.429) 15.902 7.883 ( 12.719 0.000 2.796) 13.023 8.027 ( 0.724 0.000 0.686) 0.998 8.065 ( -0.181 0.000 -0.659) 0.683 8.112 ( 0.363 0.000 -5.393) 5.405 8.161 ( -2.239 0.000 10.498) 10.734 8.377 ( -4.794 0.000 6.030) 7.704 8.486 ( -2.802 0.000 -7.308) 7.827 8.584 ( 7.732 0.000 -8.704) 11.642 8.942 ( 2.874 0.000 1.363) 3.181 9.016 ( 3.648 0.000 0.649) 3.705 9.145 ( -1.794 0.000 -2.366) 2.969 9.211 ( 0.670 0.000 -1.802) 1.922 9.304 ( 8.095 0.000 3.844) 8.961 9.401 ( -3.206 0.000 6.164) 6.948 9.580 ( -1.443 0.000 -3.101) 3.420 9.583 ( -8.549 0.000 -1.153) 8.626 10.042 ( -20.489 0.000 5.915) 21.326 10.222 ( 8.165 0.000 7.020) 10.768 10.390 ( -16.722 0.000 -6.400) 17.905 10.625 ( -3.614 0.000 3.998) 5.389 10.718 ( -4.927 0.000 11.019) 12.070 10.833 ( 3.533 0.000 -14.607) 15.028 11.057 ( -2.152 0.000 -11.563) 11.762 11.139 ( -12.363 0.000 -2.611) 12.636 11.427 ( 7.743 0.000 3.568) 8.526 11.596 ( 0.216 0.000 -0.249) 0.329 11.803 ( 12.617 0.000 10.062) 16.138 12.127 ( 8.882 0.000 10.051) 13.413 12.427 ( 22.395 0.000 -15.013) 26.961 13.019 ( 0.647 0.000 16.217) 16.230 13.068 ( -7.021 0.000 -16.516) 17.946 13.073 ( -0.614 0.000 15.569) 15.581 13.292 ( 2.506 0.000 -3.337) 4.173 13.486 ( -0.646 0.000 -14.765) 14.779 13.735 ( 0.300 0.000 -10.402) 10.406 13.760 ( -0.293 0.000 -9.940) 9.944 14.136 ( 1.710 0.000 0.771) 1.876 14.267 ( -2.380 0.000 1.165) 2.650 14.600 ( -1.693 0.000 10.689) 10.822 14.896 ( -1.578 0.000 -4.027) 4.325 15.149 ( -1.536 0.000 5.417) 5.631 15.221 ( -3.847 0.000 0.232) 3.854 15.449 ( 5.876 0.000 11.132) 12.587 15.970 ( -6.792 0.000 -5.553) 8.773 17.359 ( 2.714 0.000 27.462) 27.595 18.137 ( -29.451 0.000 26.513) 39.627 18.335 ( 0.028 0.000 1.872) 1.872 18.338 ( -0.043 0.000 1.976) 1.976 18.438 ( 0.077 0.000 -1.723) 1.725 18.444 ( -0.061 0.000 -1.749) 1.750 19.769 ( -4.834 0.000 -1.215) 4.985 19.989 ( 0.424 0.000 -4.946) 4.964 20.548 ( -20.901 0.000 18.230) 27.734 20.740 ( -12.830 0.000 12.917) 18.206 20.979 ( -8.105 0.000 -8.429) 11.693 21.284 ( -20.972 0.000 -2.045) 21.072 23.981 ( 15.271 0.000 7.084) 16.834 24.593 ( 2.609 0.000 -15.344) 15.564 25.463 ( 23.650 0.000 -6.411) 24.504 25.784 ( 9.528 0.000 -12.848) 15.996 ======================= Grid point 77 (27/72) ======================= q-point: ( 0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( 28.125 0.000 13.064) 31.011 1.716 ( 28.466 0.000 21.790) 35.849 2.086 ( -24.721 0.000 3.782) 25.009 2.271 ( -27.151 0.000 11.654) 29.547 2.471 ( 14.730 0.000 -4.430) 15.382 2.652 ( -0.633 0.000 4.654) 4.697 2.969 ( 10.691 0.000 -19.390) 22.142 2.994 ( 33.116 0.000 11.362) 35.011 3.226 ( -14.430 0.000 -16.589) 21.987 3.332 ( -1.431 0.000 7.786) 7.916 3.381 ( -4.737 0.000 6.890) 8.361 3.792 ( 4.076 0.000 9.833) 10.644 3.876 ( -38.650 0.000 14.647) 41.333 3.892 ( -5.806 0.000 6.885) 9.006 4.302 ( 7.809 0.000 -7.256) 10.659 4.420 ( 4.776 0.000 -1.478) 5.000 4.452 ( 2.001 0.000 -1.887) 2.750 4.473 ( -12.979 0.000 -3.458) 13.431 4.926 ( 16.398 0.000 -9.674) 19.039 4.978 ( 19.370 0.000 -6.567) 20.453 5.120 ( 10.399 0.000 1.479) 10.504 5.225 ( 5.811 0.000 -2.907) 6.498 5.366 ( -5.614 0.000 2.869) 6.305 5.380 ( -10.195 0.000 -5.137) 11.416 5.462 ( -9.006 0.000 -1.154) 9.080 5.508 ( -3.497 0.000 0.074) 3.497 5.641 ( 7.772 0.000 -2.674) 8.219 5.988 ( -14.674 0.000 0.933) 14.704 6.306 ( 3.491 0.000 2.918) 4.550 6.472 ( -12.463 0.000 2.405) 12.693 6.981 ( 6.070 0.000 -12.810) 14.176 7.096 ( -4.599 0.000 -11.213) 12.119 7.537 ( 8.837 0.000 4.555) 9.942 7.648 ( 0.772 0.000 3.420) 3.506 7.797 ( 7.615 0.000 3.350) 8.319 7.868 ( 0.642 0.000 0.339) 0.726 7.965 ( 0.335 0.000 -3.234) 3.251 8.043 ( 7.388 0.000 -0.028) 7.388 8.044 ( 0.900 0.000 0.304) 0.950 8.058 ( -0.565 0.000 -0.208) 0.602 8.159 ( -10.823 0.000 -1.243) 10.894 8.242 ( -7.310 0.000 7.065) 10.167 8.624 ( 20.683 0.000 -1.606) 20.745 8.837 ( 6.540 0.000 -4.890) 8.165 9.014 ( 4.212 0.000 0.393) 4.230 9.087 ( -1.902 0.000 -2.657) 3.268 9.119 ( 4.322 0.000 2.503) 4.994 9.207 ( -2.279 0.000 -0.329) 2.303 9.349 ( -0.321 0.000 3.037) 3.054 9.367 ( -1.395 0.000 -1.217) 1.851 9.421 ( -6.995 0.000 0.459) 7.010 9.501 ( -16.346 0.000 -2.355) 16.514 9.746 ( 7.591 0.000 -7.877) 10.939 10.048 ( -18.151 0.000 -13.790) 22.796 10.388 ( 8.223 0.000 5.327) 9.798 10.529 ( -6.200 0.000 4.399) 7.602 10.719 ( 5.244 0.000 8.774) 10.222 10.896 ( -11.858 0.000 2.376) 12.094 10.915 ( 4.524 0.000 -13.261) 14.011 10.998 ( -3.847 0.000 -12.220) 12.811 11.545 ( 4.355 0.000 4.055) 5.950 11.597 ( -1.002 0.000 1.997) 2.234 12.076 ( 13.129 0.000 17.590) 21.950 12.228 ( -0.874 0.000 15.302) 15.327 12.731 ( 10.393 0.000 -17.372) 20.244 12.909 ( -8.786 0.000 -15.357) 17.693 13.036 ( 1.030 0.000 16.005) 16.039 13.056 ( -1.009 0.000 15.758) 15.790 13.354 ( 3.935 0.000 -6.477) 7.579 13.437 ( -4.090 0.000 -10.302) 11.084 13.742 ( 0.482 0.000 -10.256) 10.267 13.752 ( -0.478 0.000 -10.079) 10.091 14.171 ( 1.474 0.000 2.386) 2.804 14.200 ( -2.305 0.000 7.634) 7.975 14.685 ( 8.070 0.000 -2.013) 8.317 14.831 ( -5.711 0.000 -4.802) 7.461 15.127 ( 0.306 0.000 1.623) 1.652 15.161 ( -2.601 0.000 -0.689) 2.691 15.600 ( 9.200 0.000 7.522) 11.884 15.795 ( -10.343 0.000 1.553) 10.458 17.450 ( 7.235 0.000 33.009) 33.793 17.671 ( -16.741 0.000 40.478) 43.804 18.336 ( 0.052 0.000 1.899) 1.900 18.337 ( -0.061 0.000 1.938) 1.939 18.440 ( 0.116 0.000 -1.726) 1.730 18.442 ( -0.106 0.000 -1.736) 1.739 19.792 ( 6.772 0.000 -12.159) 13.918 19.944 ( -6.120 0.000 -10.497) 12.150 20.385 ( 2.288 0.000 9.513) 9.785 20.540 ( -11.629 0.000 4.930) 12.631 20.885 ( -0.636 0.000 -6.379) 6.411 20.968 ( -9.649 0.000 -6.100) 11.416 24.282 ( 14.253 0.000 3.968) 14.795 24.509 ( -8.747 0.000 -3.066) 9.269 25.770 ( 10.220 0.000 -5.757) 11.730 25.881 ( -0.778 0.000 -9.844) 9.875 ======================= Grid point 80 (28/72) ======================= q-point: ( 0.00 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( 0.000 19.605 27.758) 33.984 1.055 ( 0.000 26.580 23.572) 35.527 2.174 ( 0.000 46.488 47.172) 66.229 2.319 ( 0.000 12.852 -24.457) 27.629 2.536 ( 0.000 -3.552 -26.314) 26.552 2.978 ( 0.000 6.409 -1.133) 6.508 2.986 ( 0.000 5.875 8.186) 10.076 3.373 ( 0.000 18.321 8.820) 20.334 3.490 ( 0.000 3.664 7.675) 8.505 3.596 ( 0.000 8.497 8.233) 11.832 3.844 ( 0.000 4.808 -7.056) 8.539 3.917 ( 0.000 -4.154 2.921) 5.079 3.955 ( 0.000 8.779 -4.522) 9.875 4.063 ( 0.000 -8.926 7.957) 11.957 4.087 ( 0.000 5.272 -7.548) 9.207 4.241 ( 0.000 7.840 0.336) 7.848 4.425 ( 0.000 17.744 0.073) 17.744 4.498 ( 0.000 12.606 -12.351) 17.648 4.597 ( 0.000 14.781 0.481) 14.789 4.767 ( 0.000 4.169 -7.651) 8.714 5.286 ( 0.000 21.220 0.076) 21.220 5.295 ( 0.000 20.564 -0.962) 20.587 5.527 ( 0.000 1.221 11.590) 11.654 5.537 ( 0.000 0.708 2.269) 2.377 5.791 ( 0.000 19.652 1.530) 19.711 5.911 ( 0.000 21.619 0.639) 21.628 5.997 ( 0.000 6.519 -5.476) 8.514 6.093 ( 0.000 1.627 0.667) 1.759 6.570 ( 0.000 2.080 -3.264) 3.870 6.725 ( 0.000 3.518 -8.321) 9.034 6.963 ( 0.000 -0.290 5.090) 5.098 7.242 ( 0.000 -1.695 -9.526) 9.676 7.307 ( 0.000 -0.369 -1.543) 1.586 7.308 ( 0.000 1.786 -1.546) 2.362 7.396 ( 0.000 1.737 -1.242) 2.136 7.548 ( 0.000 -1.401 -9.552) 9.655 7.706 ( 0.000 -3.833 1.791) 4.231 7.808 ( 0.000 -1.370 3.412) 3.676 8.150 ( 0.000 -1.317 1.585) 2.061 8.189 ( 0.000 8.749 -0.341) 8.756 8.379 ( 0.000 1.837 -0.028) 1.837 8.431 ( 0.000 -1.130 4.076) 4.230 8.526 ( 0.000 -2.011 -6.270) 6.584 8.545 ( 0.000 8.543 -9.688) 12.917 8.911 ( 0.000 -1.781 6.788) 7.018 9.107 ( 0.000 9.172 -1.147) 9.243 9.121 ( 0.000 -3.299 -0.929) 3.428 9.155 ( 0.000 0.997 6.084) 6.165 9.301 ( 0.000 7.635 5.101) 9.182 9.427 ( 0.000 1.908 7.564) 7.801 9.720 ( 0.000 8.871 -1.069) 8.935 9.753 ( 0.000 4.905 0.170) 4.908 9.850 ( 0.000 2.270 7.946) 8.263 10.241 ( 0.000 1.048 -3.265) 3.429 10.600 ( 0.000 -11.096 5.857) 12.546 10.605 ( 0.000 -3.428 1.598) 3.782 10.871 ( 0.000 2.188 -2.296) 3.171 11.212 ( 0.000 7.352 -6.070) 9.534 11.236 ( 0.000 2.614 -8.197) 8.604 11.383 ( 0.000 6.851 3.468) 7.678 11.457 ( 0.000 18.148 -16.754) 24.699 11.673 ( 0.000 11.086 -7.417) 13.338 11.717 ( 0.000 2.640 7.229) 7.696 12.064 ( 0.000 -2.560 16.099) 16.301 12.312 ( 0.000 20.253 -23.789) 31.242 12.703 ( 0.000 -25.978 12.297) 28.741 12.761 ( 0.000 -21.653 9.757) 23.749 12.942 ( 0.000 -22.922 -8.547) 24.464 13.310 ( 0.000 -9.086 -22.823) 24.565 13.393 ( 0.000 4.430 4.924) 6.624 13.403 ( 0.000 -15.665 -19.543) 25.047 13.839 ( 0.000 3.074 -13.294) 13.645 14.181 ( 0.000 2.464 3.455) 4.243 14.363 ( 0.000 7.898 -6.036) 9.941 14.904 ( 0.000 20.540 8.960) 22.409 15.208 ( 0.000 3.318 6.220) 7.049 15.343 ( 0.000 28.300 -12.284) 30.851 15.346 ( 0.000 6.886 -0.824) 6.935 15.394 ( 0.000 2.015 15.265) 15.397 16.005 ( 0.000 -3.084 -7.832) 8.418 17.300 ( 0.000 -3.711 18.005) 18.383 17.704 ( 0.000 -37.922 14.536) 40.613 17.855 ( 0.000 -30.478 -4.650) 30.831 18.008 ( 0.000 -34.620 -3.401) 34.787 18.211 ( 0.000 -11.208 9.864) 14.931 18.994 ( 0.000 21.425 -15.399) 26.385 20.134 ( 0.000 -1.731 9.510) 9.667 20.142 ( 0.000 18.169 2.178) 18.299 20.928 ( 0.000 20.825 2.517) 20.977 21.138 ( 0.000 14.058 -6.910) 15.664 21.482 ( 0.000 5.557 7.005) 8.942 21.700 ( 0.000 4.526 -3.221) 5.556 23.780 ( 0.000 -0.501 4.398) 4.426 24.224 ( 0.000 -5.403 -13.312) 14.367 24.988 ( 0.000 -9.334 14.290) 17.068 25.469 ( 0.000 -15.796 -3.076) 16.093 ======================= Grid point 81 (29/72) ======================= q-point: ( 0.20 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( 18.546 18.697 20.539) 33.398 1.311 ( 22.772 17.574 20.927) 35.571 2.335 ( 6.176 13.088 -13.740) 19.956 2.404 ( 15.419 33.500 27.672) 46.105 2.635 ( 5.396 3.422 -21.448) 22.380 2.771 ( -10.923 9.026 10.542) 17.661 2.963 ( -5.264 6.506 -0.499) 8.384 3.092 ( -18.643 12.305 6.073) 23.148 3.473 ( -1.743 3.214 6.713) 7.644 3.558 ( -14.983 4.462 -3.053) 15.929 3.590 ( -10.150 10.142 -2.243) 14.523 3.803 ( -2.804 3.251 7.253) 8.428 3.961 ( -0.837 0.666 2.309) 2.545 4.222 ( 10.507 6.636 -0.791) 12.452 4.259 ( 6.011 6.485 -3.646) 9.565 4.335 ( 10.235 6.895 2.379) 12.568 4.490 ( 0.720 10.594 0.019) 10.618 4.625 ( 11.977 6.432 1.564) 13.684 4.716 ( 9.422 11.309 -9.213) 17.365 4.806 ( 2.436 5.171 -6.586) 8.721 5.310 ( -7.145 16.769 1.045) 18.258 5.316 ( 3.512 19.896 -0.680) 20.215 5.386 ( 1.390 10.654 2.295) 10.987 5.629 ( -3.643 2.499 -4.037) 5.984 5.687 ( -5.469 9.641 3.323) 11.572 5.715 ( -8.808 15.497 1.902) 17.927 5.915 ( -0.767 19.996 2.911) 20.221 6.194 ( -1.150 6.510 0.362) 6.621 6.429 ( -9.446 4.421 -4.702) 11.441 6.699 ( -7.797 -0.137 -7.661) 10.932 6.932 ( 0.533 3.489 -2.655) 4.417 7.170 ( -3.658 0.831 -8.640) 9.419 7.358 ( 7.895 0.292 1.283) 8.004 7.483 ( 9.286 -3.129 1.848) 9.972 7.544 ( 12.136 0.069 0.149) 12.137 7.672 ( 9.787 -5.003 -9.486) 14.519 7.790 ( 6.537 -5.369 2.635) 8.860 7.914 ( 8.143 -3.365 3.476) 9.471 8.087 ( -6.196 -3.411 -0.523) 7.093 8.202 ( -4.924 3.397 -0.775) 6.032 8.265 ( -2.072 4.030 3.243) 5.573 8.375 ( -8.010 -2.586 5.337) 9.966 8.513 ( 2.587 5.949 -7.306) 9.771 8.653 ( 10.537 9.254 -12.069) 18.502 8.933 ( 1.771 -2.308 4.145) 5.064 9.102 ( -1.273 -3.819 -2.146) 4.562 9.152 ( 4.055 9.800 1.141) 10.667 9.226 ( 3.949 1.056 0.236) 4.095 9.298 ( 0.710 3.111 6.494) 7.235 9.427 ( 0.662 2.875 5.647) 6.371 9.651 ( -6.773 8.880 0.186) 11.170 9.709 ( -3.816 7.458 -2.433) 8.724 9.919 ( 4.408 1.574 4.785) 6.693 10.097 ( -12.720 5.012 -1.255) 13.730 10.582 ( -2.147 -7.906 5.333) 9.775 10.609 ( 1.283 -3.555 5.662) 6.808 10.821 ( -4.072 0.090 -6.319) 7.518 10.947 ( -15.630 7.486 -12.021) 21.092 11.203 ( -10.826 4.863 -1.974) 12.032 11.273 ( -11.121 24.598 -11.459) 29.326 11.473 ( 6.184 2.901 0.814) 6.879 11.618 ( -0.904 2.436 0.248) 2.610 11.913 ( 14.440 10.302 9.471) 20.108 12.134 ( 8.105 -1.614 10.614) 13.452 12.531 ( 12.177 1.699 -16.722) 20.756 12.705 ( 0.183 -25.877 11.911) 28.487 12.758 ( 0.147 -20.222 7.481) 21.562 12.933 ( -1.045 -21.187 -9.478) 23.233 13.265 ( -4.304 -4.071 -8.666) 10.498 13.313 ( -3.103 -11.088 -10.910) 15.862 13.519 ( 6.488 -4.979 -13.991) 16.206 13.802 ( -3.297 1.036 -13.869) 14.293 14.221 ( 4.167 4.998 3.442) 7.361 14.444 ( 6.128 11.661 -6.208) 14.563 14.836 ( -5.986 18.864 11.904) 23.095 15.186 ( -3.099 9.435 1.290) 10.015 15.234 ( -6.788 10.816 2.568) 13.025 15.298 ( -2.282 16.140 -2.683) 16.520 15.476 ( 5.971 3.226 9.877) 11.984 15.940 ( -6.630 -2.913 -4.984) 8.791 17.316 ( 1.625 -4.501 18.622) 19.227 17.612 ( -7.421 -28.512 17.739) 34.390 17.896 ( 2.736 -33.228 -3.138) 33.488 17.999 ( -0.915 -34.274 -3.004) 34.417 18.238 ( 2.754 -9.925 10.167) 14.472 18.810 ( -17.111 18.874 5.639) 26.093 19.991 ( -5.913 4.637 2.463) 7.908 20.218 ( 2.448 11.961 0.415) 12.216 20.869 ( -11.489 26.525 3.546) 29.123 20.952 ( -17.281 21.937 8.982) 29.335 21.118 ( -9.805 15.498 -5.230) 19.070 21.371 ( -18.932 10.886 -3.593) 22.132 23.929 ( 14.208 -4.402 6.907) 16.400 24.499 ( 4.861 -8.802 -14.886) 17.964 25.280 ( 23.582 -17.593 -0.608) 29.428 25.554 ( 7.414 -17.963 -4.072) 19.855 ======================= Grid point 82 (30/72) ======================= q-point: ( 0.40 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( 25.634 15.358 10.958) 31.828 1.821 ( 27.190 10.219 14.616) 32.517 2.203 ( -22.640 11.426 0.087) 25.360 2.328 ( -19.570 6.407 3.134) 20.829 2.658 ( 3.783 15.929 0.297) 16.375 2.778 ( -5.897 9.541 -1.268) 11.287 2.996 ( 7.579 2.856 -17.964) 19.706 3.104 ( 18.850 11.832 6.015) 23.054 3.337 ( -2.572 8.071 -0.837) 8.512 3.398 ( -3.588 6.107 8.439) 11.017 3.442 ( 1.906 11.618 4.487) 12.600 3.802 ( -6.448 3.332 14.305) 16.041 3.894 ( -0.734 6.825 5.869) 9.032 4.130 ( -22.528 16.247 7.451) 28.757 4.389 ( 5.940 8.466 -2.286) 10.591 4.484 ( -1.727 4.852 -1.251) 5.300 4.512 ( 0.311 7.147 -0.189) 7.157 4.547 ( -1.088 7.817 -1.616) 8.056 4.907 ( 12.385 3.106 -4.562) 13.559 4.998 ( 9.951 4.804 -3.434) 11.572 5.294 ( 2.569 9.168 -4.435) 10.503 5.359 ( 0.403 6.260 -1.393) 6.426 5.516 ( 1.545 14.978 -0.406) 15.063 5.554 ( -3.533 16.128 2.713) 16.732 5.579 ( 4.700 13.807 -4.146) 15.162 5.714 ( 0.001 14.760 -5.815) 15.864 5.823 ( -2.639 25.185 -2.590) 25.455 6.060 ( -11.890 9.419 -0.054) 15.169 6.328 ( 1.580 2.647 1.556) 3.453 6.474 ( -11.580 0.853 1.073) 11.661 7.008 ( 5.498 2.794 -10.410) 12.100 7.107 ( -3.922 1.256 -9.501) 10.355 7.524 ( 7.924 -1.019 4.110) 8.984 7.603 ( 1.665 -4.042 3.221) 5.430 7.745 ( 5.347 -4.051 2.869) 7.296 7.812 ( 2.242 -3.579 2.340) 4.828 7.945 ( 9.179 -4.808 0.684) 10.385 7.968 ( 0.159 -0.423 -5.464) 5.482 8.032 ( 2.330 -1.624 2.242) 3.619 8.084 ( -1.518 -0.639 0.320) 1.678 8.158 ( -10.642 -0.283 -3.442) 11.189 8.225 ( -8.266 -2.394 0.732) 8.637 8.741 ( 17.854 10.482 -0.826) 20.720 8.858 ( 6.585 3.470 -3.464) 8.210 8.967 ( 2.316 -4.986 0.763) 5.550 9.076 ( -2.877 -2.231 -1.100) 3.803 9.232 ( 2.118 6.562 1.337) 7.023 9.251 ( -0.549 3.905 1.043) 4.079 9.301 ( 1.949 2.133 1.246) 3.147 9.481 ( 2.654 5.511 -0.691) 6.156 9.484 ( -12.317 8.172 0.398) 14.787 9.558 ( -8.347 6.243 -0.579) 10.440 9.901 ( 1.838 14.271 -4.770) 15.159 9.993 ( -2.404 2.860 -4.238) 5.650 10.526 ( -1.362 -0.806 3.626) 3.956 10.617 ( -11.018 7.001 -4.410) 13.779 10.693 ( 6.777 -2.970 4.085) 8.452 10.812 ( -3.105 -3.214 -7.121) 8.407 11.037 ( -4.527 8.099 -2.262) 9.550 11.075 ( -7.271 12.991 -4.894) 15.671 11.572 ( 3.639 1.847 2.051) 4.567 11.614 ( -0.703 1.479 0.708) 1.784 12.177 ( 10.822 7.819 15.138) 20.184 12.263 ( 2.561 0.780 12.267) 12.556 12.656 ( 2.237 -16.412 -0.140) 16.565 12.694 ( -1.789 -22.034 8.545) 23.700 12.804 ( 4.511 -14.625 -5.326) 16.205 12.889 ( -3.655 -16.265 -9.808) 19.341 13.205 ( -0.721 -8.837 -2.836) 9.309 13.243 ( -3.764 -10.206 -6.921) 12.893 13.638 ( 5.466 -3.883 -16.113) 17.452 13.729 ( -4.056 -1.929 -15.327) 15.972 14.327 ( 6.268 10.429 4.187) 12.868 14.453 ( -5.827 17.513 4.613) 19.025 14.846 ( 8.801 11.574 -1.520) 14.619 15.044 ( -9.466 14.409 -3.758) 17.645 15.209 ( 1.533 8.923 2.639) 9.430 15.254 ( -2.529 12.107 0.377) 12.374 15.607 ( 7.584 0.820 8.419) 11.361 15.774 ( -9.357 -1.970 2.777) 9.958 17.367 ( 3.792 -7.644 20.670) 22.362 17.468 ( -6.627 -15.375 21.902) 27.568 17.942 ( 1.984 -33.904 -2.520) 34.056 17.975 ( -1.458 -33.934 -2.514) 34.058 18.321 ( 6.089 -4.818 12.217) 14.475 18.495 ( -12.629 6.140 16.081) 21.349 20.018 ( 8.025 8.106 -11.924) 16.501 20.197 ( -6.426 10.259 -9.556) 15.423 20.656 ( -2.835 28.761 5.962) 29.509 20.741 ( -9.887 21.646 4.246) 24.172 21.032 ( -0.022 16.318 -4.615) 16.958 21.104 ( -7.882 15.271 -5.361) 18.003 24.218 ( 13.871 -6.109 3.920) 15.655 24.437 ( -8.249 -6.955 -3.079) 11.220 25.599 ( 9.208 -16.982 -5.096) 19.979 25.668 ( 1.984 -19.193 -5.581) 20.086 ======================= Grid point 85 (31/72) ======================= q-point: ( 0.00 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( 0.000 36.578 3.950) 36.791 1.657 ( 0.000 33.433 13.841) 36.184 2.571 ( 0.000 7.975 -22.339) 23.720 2.619 ( 0.000 19.480 -22.353) 29.650 3.091 ( 0.000 29.083 15.174) 32.804 3.114 ( 0.000 7.832 -2.270) 8.154 3.247 ( 0.000 33.488 21.209) 39.639 3.622 ( 0.000 9.851 8.679) 13.129 3.722 ( 0.000 11.777 6.031) 13.231 3.761 ( 0.000 8.115 9.748) 12.684 3.938 ( 0.000 4.394 2.269) 4.946 3.972 ( 0.000 7.564 -3.902) 8.511 3.999 ( 0.000 7.665 11.648) 13.944 4.183 ( 0.000 14.295 -6.328) 15.633 4.217 ( 0.000 6.769 2.468) 7.205 4.382 ( 0.000 5.683 -8.922) 10.578 4.732 ( 0.000 13.747 -3.919) 14.295 4.840 ( 0.000 21.436 -0.767) 21.450 4.932 ( 0.000 17.613 2.736) 17.825 5.024 ( 0.000 19.951 -10.115) 22.368 5.507 ( 0.000 1.367 -0.210) 1.383 5.578 ( 0.000 4.098 7.976) 8.967 5.626 ( 0.000 13.013 0.088) 13.013 5.746 ( 0.000 16.009 3.050) 16.297 6.142 ( 0.000 9.406 -4.503) 10.428 6.143 ( 0.000 6.716 -8.836) 11.099 6.323 ( 0.000 28.030 3.321) 28.226 6.410 ( 0.000 22.646 1.611) 22.704 6.683 ( 0.000 11.239 1.726) 11.370 6.897 ( 0.000 13.799 -5.442) 14.833 7.017 ( 0.000 4.427 -2.010) 4.862 7.230 ( 0.000 1.713 -15.506) 15.601 7.310 ( 0.000 0.531 0.892) 1.038 7.393 ( 0.000 7.552 0.564) 7.573 7.487 ( 0.000 8.219 -2.316) 8.539 7.531 ( 0.000 -0.487 -5.601) 5.622 7.629 ( 0.000 -3.140 1.837) 3.638 7.803 ( 0.000 -0.682 -3.558) 3.623 8.097 ( 0.000 -2.882 3.877) 4.831 8.259 ( 0.000 -1.384 2.479) 2.839 8.326 ( 0.000 -0.112 1.433) 1.438 8.344 ( 0.000 -4.190 -0.242) 4.197 8.682 ( 0.000 13.837 -6.934) 15.477 8.826 ( 0.000 -4.993 11.188) 12.252 8.828 ( 0.000 14.443 -10.361) 17.774 9.076 ( 0.000 1.762 -1.193) 2.128 9.253 ( 0.000 9.332 3.787) 10.072 9.288 ( 0.000 9.878 -0.922) 9.921 9.496 ( 0.000 11.956 6.195) 13.466 9.528 ( 0.000 7.230 8.593) 11.230 9.823 ( 0.000 2.881 2.767) 3.995 9.895 ( 0.000 7.270 1.522) 7.427 10.066 ( 0.000 15.976 -0.855) 15.999 10.313 ( 0.000 2.567 -3.220) 4.118 10.454 ( 0.000 -0.730 -0.749) 1.046 10.609 ( 0.000 5.252 -4.651) 7.016 10.925 ( 0.000 3.379 4.025) 5.255 11.185 ( 0.000 -5.106 -2.226) 5.570 11.206 ( 0.000 -9.135 0.251) 9.138 11.562 ( 0.000 9.519 4.813) 10.667 11.604 ( 0.000 0.781 -12.225) 12.249 11.818 ( 0.000 7.807 16.485) 18.240 11.919 ( 0.000 4.649 -8.947) 10.083 11.941 ( 0.000 -11.851 17.437) 21.083 12.201 ( 0.000 -19.079 5.337) 19.812 12.225 ( 0.000 -18.912 -1.442) 18.967 12.367 ( 0.000 -27.684 -0.378) 27.687 12.411 ( 0.000 -11.839 5.120) 12.899 13.220 ( 0.000 -6.878 -32.635) 33.352 13.388 ( 0.000 10.511 -31.838) 33.528 13.408 ( 0.000 -1.955 4.191) 4.625 13.835 ( 0.000 -3.190 -15.514) 15.838 14.232 ( 0.000 4.080 1.924) 4.511 14.525 ( 0.000 7.911 -8.320) 11.480 15.186 ( 0.000 -4.578 6.380) 7.853 15.313 ( 0.000 18.413 9.711) 20.817 15.471 ( 0.000 5.079 16.016) 16.802 15.509 ( 0.000 8.976 -2.782) 9.397 15.757 ( 0.000 10.128 -5.859) 11.701 15.929 ( 0.000 -4.374 -5.272) 6.850 17.148 ( 0.000 -8.511 -0.330) 8.517 17.277 ( 0.000 -8.410 -1.125) 8.485 17.317 ( 0.000 -24.592 -2.527) 24.721 17.338 ( 0.000 -30.568 -2.986) 30.714 17.988 ( 0.000 -9.585 26.346) 28.035 19.270 ( 0.000 7.008 -21.427) 22.544 19.855 ( 0.000 -22.579 26.919) 35.135 20.293 ( 0.000 -3.009 1.771) 3.491 21.411 ( 0.000 26.743 1.229) 26.771 21.514 ( 0.000 21.579 -3.147) 21.807 21.694 ( 0.000 15.481 3.775) 15.935 21.828 ( 0.000 6.341 -2.010) 6.651 23.802 ( 0.000 2.482 0.941) 2.654 24.097 ( 0.000 -6.791 -10.722) 12.691 24.740 ( 0.000 -15.329 11.642) 19.249 25.115 ( 0.000 -20.168 -2.990) 20.389 ======================= Grid point 86 (32/72) ======================= q-point: ( 0.20 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.731 ( 12.081 29.236 10.843) 33.440 1.830 ( 13.298 32.080 6.842) 35.395 2.555 ( 0.316 13.802 -19.285) 23.717 2.760 ( 10.620 12.306 -21.595) 27.029 2.958 ( -14.627 17.140 3.883) 22.865 3.092 ( -3.130 8.565 -2.918) 9.575 3.284 ( -10.762 20.217 13.631) 26.653 3.375 ( -1.052 31.532 20.986) 37.892 3.593 ( -3.900 7.826 6.623) 10.969 3.680 ( -12.259 9.324 -2.211) 15.560 3.857 ( -9.208 15.672 3.256) 18.466 3.899 ( 2.215 7.586 10.876) 13.444 4.059 ( 2.166 8.693 -4.024) 9.821 4.337 ( 9.987 7.934 1.517) 12.845 4.426 ( 14.335 6.873 -0.417) 15.903 4.523 ( 11.967 10.417 -1.346) 15.923 4.768 ( -1.671 13.837 4.581) 14.671 4.792 ( -1.347 14.579 -2.180) 14.802 4.956 ( 1.534 14.962 3.584) 15.462 5.090 ( 5.143 18.013 -7.951) 20.350 5.517 ( -2.947 9.669 2.946) 10.529 5.552 ( 5.634 4.713 -3.027) 7.944 5.682 ( 3.085 8.596 -1.713) 9.292 5.815 ( -11.434 20.149 -1.976) 23.251 5.879 ( 0.576 9.255 3.956) 10.082 6.117 ( -1.789 17.516 -3.687) 17.989 6.387 ( 1.010 24.191 0.234) 24.214 6.453 ( 1.264 18.714 0.587) 18.766 6.609 ( -6.227 16.204 -3.207) 17.653 6.804 ( -10.370 11.011 -7.690) 16.968 7.016 ( 0.452 3.972 -2.759) 4.857 7.173 ( -3.002 0.269 -9.038) 9.527 7.414 ( 8.316 0.699 0.652) 8.370 7.444 ( 4.851 6.004 2.698) 8.176 7.574 ( 6.076 1.781 -0.189) 6.334 7.633 ( 10.678 2.178 -6.982) 12.943 7.694 ( 5.228 -3.803 1.812) 6.714 7.875 ( 5.537 -3.069 -4.700) 7.884 8.028 ( -4.616 0.031 4.606) 6.521 8.217 ( -6.639 2.075 -0.766) 6.998 8.260 ( -3.894 -5.160 3.307) 7.261 8.308 ( -4.162 -0.542 -3.423) 5.416 8.747 ( 7.092 13.557 -4.686) 16.002 8.849 ( 1.453 -2.482 5.958) 6.616 8.879 ( 4.324 9.772 -5.933) 12.222 9.050 ( -1.506 2.186 -0.980) 2.830 9.271 ( 0.975 5.376 2.942) 6.206 9.319 ( 1.919 6.031 2.397) 6.767 9.452 ( -0.511 11.751 3.558) 12.289 9.586 ( 3.784 12.886 7.140) 15.210 9.791 ( -3.301 5.562 1.389) 6.615 9.850 ( -4.996 7.177 -0.577) 8.763 10.103 ( 2.760 12.128 -1.384) 12.515 10.293 ( -4.982 12.431 -4.883) 14.254 10.412 ( -0.459 -7.118 5.806) 9.197 10.601 ( 0.339 3.966 -4.105) 5.718 10.854 ( -6.726 3.108 1.965) 7.666 11.004 ( -11.454 0.765 -4.456) 12.314 11.221 ( -3.018 -5.463 1.390) 6.394 11.483 ( -5.468 -0.484 -5.526) 7.789 11.621 ( 0.260 7.463 -1.890) 7.703 11.707 ( -8.674 6.629 10.550) 15.182 11.972 ( 6.868 -13.289 12.308) 19.372 12.079 ( 7.631 -4.688 -2.426) 9.278 12.182 ( 0.656 -22.885 7.055) 23.957 12.321 ( -3.150 -22.515 2.434) 22.865 12.337 ( 7.584 -14.454 1.066) 16.358 12.461 ( 4.013 -12.255 4.269) 13.584 13.194 ( -2.051 -3.464 -22.533) 22.890 13.373 ( -1.988 8.894 -26.143) 27.686 13.454 ( 4.369 -3.051 -8.173) 9.757 13.777 ( -5.151 -3.198 -15.765) 16.890 14.308 ( 7.360 4.732 2.131) 9.005 14.651 ( 11.365 9.056 -9.739) 17.494 15.073 ( -10.302 1.666 6.658) 12.379 15.359 ( 3.131 12.468 8.297) 15.301 15.399 ( -4.801 9.085 5.240) 11.535 15.563 ( 3.363 5.149 7.083) 9.381 15.683 ( -5.801 11.919 -1.703) 13.365 15.872 ( -5.923 -3.298 -2.899) 7.374 17.152 ( 0.534 -10.208 0.202) 10.224 17.254 ( -1.971 -11.161 -0.450) 11.343 17.326 ( 0.751 -24.215 -2.737) 24.381 17.345 ( 0.430 -26.915 -3.220) 27.111 18.039 ( 5.357 -8.889 26.948) 28.878 19.002 ( -24.332 0.936 10.493) 26.515 19.861 ( 3.004 -12.794 1.096) 13.188 20.290 ( -1.794 -5.673 -1.483) 6.132 21.385 ( -3.603 27.231 1.866) 27.532 21.411 ( -9.813 22.161 1.881) 24.309 21.543 ( -7.851 24.371 -1.045) 25.626 21.690 ( -10.775 17.006 -4.481) 20.624 23.853 ( 8.856 -2.521 5.279) 10.614 24.295 ( 6.112 -11.076 -12.263) 17.619 24.886 ( 15.208 -20.811 7.199) 26.762 25.172 ( 4.706 -21.281 -3.046) 22.007 ======================= Grid point 87 (33/72) ======================= q-point: ( 0.40 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.085 ( 22.651 19.490 10.343) 31.621 2.136 ( 17.588 25.595 3.068) 31.207 2.473 ( -12.497 14.591 -5.462) 19.973 2.571 ( -22.891 19.115 5.014) 30.241 2.942 ( -2.015 9.271 -4.830) 10.646 2.985 ( -0.221 15.565 -3.513) 15.958 3.087 ( 6.353 7.181 -16.978) 19.498 3.344 ( -13.451 9.555 -9.593) 19.085 3.558 ( -0.028 15.110 5.883) 16.215 3.574 ( -1.612 13.573 7.549) 15.615 3.835 ( 8.201 20.968 15.418) 27.287 3.941 ( -0.889 10.201 10.443) 14.626 4.122 ( 12.051 18.880 1.559) 22.452 4.470 ( -5.750 16.270 5.021) 17.972 4.595 ( -6.194 11.851 7.507) 15.335 4.633 ( 0.486 10.894 0.281) 10.909 4.688 ( 4.118 9.370 4.126) 11.036 4.748 ( -0.608 11.578 -1.713) 11.720 5.044 ( 7.848 10.659 4.722) 14.053 5.153 ( -0.149 9.543 1.416) 9.648 5.516 ( -0.254 11.817 -4.848) 12.775 5.542 ( -5.976 15.038 -5.723) 17.164 5.683 ( 5.097 6.190 -2.302) 8.342 5.734 ( 0.401 8.904 -2.401) 9.231 6.010 ( 10.654 18.786 -2.672) 21.761 6.198 ( 3.549 25.728 -4.536) 26.365 6.316 ( -6.545 10.815 -0.888) 12.672 6.399 ( -2.089 27.669 0.165) 27.748 6.509 ( -4.231 21.237 -4.516) 22.121 6.557 ( -11.478 10.504 -5.640) 16.549 7.066 ( 3.789 1.238 -3.402) 5.241 7.126 ( -2.250 -0.607 -3.519) 4.221 7.535 ( 4.092 -0.082 2.024) 4.566 7.553 ( 3.544 5.341 0.405) 6.423 7.690 ( 4.744 -1.053 3.600) 6.048 7.760 ( -0.058 -0.811 3.497) 3.591 7.859 ( 10.004 -2.477 -1.839) 10.469 7.955 ( 5.861 -3.285 -6.220) 9.156 8.014 ( -0.117 0.193 0.569) 0.612 8.068 ( -5.388 0.922 -0.758) 5.519 8.165 ( -5.302 0.707 -0.508) 5.373 8.183 ( -7.675 2.011 -5.178) 9.474 8.864 ( 0.425 -2.902 1.938) 3.516 8.870 ( 0.844 -1.041 -1.215) 1.809 9.007 ( 11.426 11.851 -1.381) 16.520 9.095 ( 4.910 5.554 -1.844) 7.639 9.265 ( -2.798 0.988 3.491) 4.582 9.274 ( -4.744 1.290 2.104) 5.348 9.521 ( 5.530 15.000 0.722) 16.003 9.648 ( -2.215 11.530 5.011) 12.765 9.702 ( -3.627 14.207 -3.443) 15.061 9.733 ( -3.027 10.334 1.602) 10.886 10.137 ( 0.599 8.503 -1.202) 8.609 10.183 ( -3.327 10.547 -2.303) 11.297 10.447 ( 3.962 -3.793 4.870) 7.335 10.585 ( -6.729 -0.903 -3.826) 7.793 10.755 ( 1.577 5.659 -0.725) 5.920 10.837 ( -5.342 4.039 -6.466) 9.309 11.171 ( 1.030 3.016 1.879) 3.700 11.307 ( -11.227 4.785 -2.499) 12.457 11.608 ( 0.938 1.828 6.568) 6.881 11.639 ( -1.449 -0.456 2.825) 3.208 12.089 ( 4.656 -19.600 6.211) 21.081 12.146 ( -0.764 -18.707 2.666) 18.911 12.223 ( 2.705 -21.307 4.445) 21.933 12.267 ( -2.219 -21.648 3.869) 22.103 12.480 ( 6.153 -9.383 4.293) 12.014 12.532 ( 1.481 -6.938 5.592) 9.033 13.189 ( 2.826 3.701 -16.980) 17.607 13.293 ( -6.057 8.687 -20.361) 22.950 13.556 ( 5.656 -4.728 -14.665) 16.414 13.667 ( -5.749 -4.232 -16.126) 17.636 14.496 ( 11.597 6.962 3.129) 13.883 14.738 ( -10.881 10.314 2.402) 15.184 15.001 ( 11.577 5.113 -7.591) 14.758 15.244 ( -10.466 7.450 -5.365) 13.922 15.456 ( 5.639 13.398 8.467) 16.822 15.573 ( -5.799 13.708 3.279) 15.241 15.631 ( 3.814 1.895 9.254) 10.187 15.731 ( -6.990 -1.637 5.738) 9.191 17.172 ( 1.616 -12.265 0.670) 12.389 17.211 ( -2.268 -12.618 0.377) 12.826 17.340 ( 0.612 -23.704 -2.950) 23.895 17.348 ( -0.128 -24.360 -3.228) 24.573 18.204 ( 11.989 -6.690 28.834) 31.935 18.525 ( -21.442 -3.194 28.900) 36.127 19.990 ( 9.565 -8.074 -13.854) 18.671 20.185 ( -8.901 -8.522 -10.528) 16.208 21.254 ( -3.447 28.678 3.998) 29.160 21.282 ( -5.358 29.239 4.013) 29.996 21.478 ( 0.150 25.861 -3.748) 26.132 21.528 ( -5.206 24.275 -4.726) 25.273 24.074 ( 11.692 -7.805 3.531) 14.495 24.262 ( -6.942 -10.253 -2.734) 12.681 25.163 ( 9.752 -25.039 -1.287) 26.902 25.241 ( 0.954 -23.631 -2.842) 23.821 ======================= Grid point 90 (34/72) ======================= q-point: ( 0.00 0.21 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.319 ( 0.000 33.870 7.883) 34.775 2.355 ( 0.000 34.905 -3.166) 35.048 2.839 ( 0.000 18.649 -15.332) 24.143 3.029 ( 0.000 21.224 -17.224) 27.334 3.292 ( 0.000 10.351 -1.104) 10.410 3.402 ( 0.000 13.239 -3.959) 13.818 3.797 ( 0.000 5.326 11.577) 12.743 3.844 ( 0.000 12.483 11.026) 16.656 3.921 ( 0.000 8.039 7.449) 10.959 4.041 ( 0.000 7.901 -0.633) 7.927 4.129 ( 0.000 8.617 -1.690) 8.781 4.163 ( 0.000 42.740 25.718) 49.881 4.307 ( 0.000 16.258 4.494) 16.867 4.337 ( 0.000 5.205 3.708) 6.391 4.447 ( 0.000 6.852 3.197) 7.561 4.492 ( 0.000 11.568 -15.166) 19.075 4.993 ( 0.000 13.590 -4.619) 14.354 5.196 ( 0.000 8.579 5.687) 10.292 5.212 ( 0.000 12.502 1.045) 12.545 5.436 ( 0.000 19.016 8.568) 20.857 5.546 ( 0.000 3.075 -1.022) 3.240 5.719 ( 0.000 13.494 -5.419) 14.541 5.858 ( 0.000 11.475 -5.251) 12.620 5.907 ( 0.000 2.498 5.180) 5.751 6.200 ( 0.000 0.594 -8.779) 8.800 6.403 ( 0.000 16.593 -12.380) 20.703 6.590 ( 0.000 0.250 5.986) 5.991 6.817 ( 0.000 16.652 1.463) 16.716 7.012 ( 0.000 16.074 0.457) 16.080 7.126 ( 0.000 9.279 -6.999) 11.622 7.195 ( 0.000 13.838 -1.734) 13.947 7.253 ( 0.000 -0.998 -3.693) 3.825 7.318 ( 0.000 0.119 1.735) 1.739 7.436 ( 0.000 -5.962 -5.604) 8.182 7.616 ( 0.000 2.327 1.160) 2.600 7.703 ( 0.000 17.148 -4.201) 17.655 7.705 ( 0.000 -2.126 -3.302) 3.927 7.750 ( 0.000 11.539 -3.303) 12.002 8.126 ( 0.000 6.517 1.690) 6.733 8.215 ( 0.000 -1.380 10.498) 10.588 8.336 ( 0.000 3.823 -6.606) 7.632 8.421 ( 0.000 9.306 -0.626) 9.327 8.732 ( 0.000 0.773 9.159) 9.191 9.000 ( 0.000 14.339 -1.036) 14.376 9.013 ( 0.000 5.442 -4.632) 7.146 9.282 ( 0.000 17.658 -6.083) 18.677 9.523 ( 0.000 16.970 6.155) 18.052 9.560 ( 0.000 18.909 0.248) 18.911 9.702 ( 0.000 10.781 5.770) 12.228 9.715 ( 0.000 8.625 3.360) 9.257 9.933 ( 0.000 10.153 5.659) 11.624 9.961 ( 0.000 1.564 5.684) 5.895 10.298 ( 0.000 0.335 7.896) 7.903 10.419 ( 0.000 18.714 -7.607) 20.200 10.559 ( 0.000 6.551 -12.203) 13.850 10.719 ( 0.000 0.201 -8.554) 8.556 10.883 ( 0.000 -19.485 -1.564) 19.548 10.980 ( 0.000 -0.825 3.001) 3.112 11.022 ( 0.000 -15.577 -2.257) 15.740 11.346 ( 0.000 -20.239 -9.207) 22.235 11.542 ( 0.000 -12.716 8.613) 15.359 11.659 ( 0.000 -25.079 1.264) 25.111 11.771 ( 0.000 2.657 17.435) 17.636 11.929 ( 0.000 4.035 2.012) 4.509 12.003 ( 0.000 6.679 11.037) 12.901 12.139 ( 0.000 11.308 3.318) 11.784 12.302 ( 0.000 0.537 9.996) 10.011 12.337 ( 0.000 7.303 -2.641) 7.766 13.072 ( 0.000 -8.302 -29.009) 30.173 13.347 ( 0.000 -3.750 3.849) 5.374 13.527 ( 0.000 3.102 -18.472) 18.731 13.723 ( 0.000 -7.724 -9.748) 12.437 14.371 ( 0.000 9.975 -9.047) 13.467 14.652 ( 0.000 4.704 -9.815) 10.884 15.075 ( 0.000 -6.087 5.032) 7.898 15.511 ( 0.000 -2.186 13.184) 13.364 15.512 ( 0.000 1.946 -5.242) 5.592 15.683 ( 0.000 6.595 0.777) 6.640 15.765 ( 0.000 -5.713 0.433) 5.729 15.844 ( 0.000 -4.378 -1.284) 4.562 16.858 ( 0.000 -15.618 0.908) 15.645 16.968 ( 0.000 -11.651 2.506) 11.918 17.089 ( 0.000 -5.746 -3.549) 6.754 17.198 ( 0.000 5.441 -15.289) 16.228 17.894 ( 0.000 0.454 28.863) 28.867 19.298 ( 0.000 -3.154 -24.372) 24.576 19.369 ( 0.000 -25.598 32.750) 41.567 20.101 ( 0.000 -14.698 -0.282) 14.700 21.859 ( 0.000 11.800 -0.419) 11.807 21.864 ( 0.000 9.928 -1.136) 9.993 21.945 ( 0.000 13.906 2.011) 14.050 22.020 ( 0.000 16.216 -0.962) 16.244 23.860 ( 0.000 3.026 -0.316) 3.042 23.988 ( 0.000 -3.875 -6.320) 7.413 24.422 ( 0.000 -16.496 8.398) 18.510 24.701 ( 0.000 -21.611 -2.925) 21.808 ======================= Grid point 91 (35/72) ======================= q-point: ( 0.20 0.21 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.323 ( 3.763 30.801 6.033) 31.611 2.474 ( 8.997 32.531 -0.006) 33.752 2.880 ( 2.240 19.120 -12.735) 23.082 3.055 ( 2.555 16.191 -16.362) 23.160 3.267 ( -3.377 9.838 -2.256) 10.643 3.304 ( -8.991 17.835 -1.991) 20.072 3.481 ( -18.555 9.392 9.202) 22.742 3.733 ( -8.966 8.692 4.167) 13.164 3.916 ( -5.306 14.005 -0.971) 15.008 4.001 ( -2.468 15.370 7.806) 17.415 4.115 ( -3.991 12.928 2.290) 13.722 4.201 ( 1.315 16.623 3.114) 16.963 4.309 ( 9.933 21.972 12.129) 26.992 4.507 ( 10.765 6.219 2.003) 12.593 4.558 ( 9.022 12.496 0.001) 15.412 4.732 ( 17.781 10.250 2.425) 20.666 5.009 ( -0.094 12.807 0.612) 12.822 5.082 ( -8.527 10.715 5.523) 14.765 5.217 ( -0.468 8.479 2.724) 8.918 5.413 ( -1.665 13.569 12.337) 18.415 5.632 ( 6.809 6.129 -3.978) 9.988 5.749 ( 2.672 15.044 -5.876) 16.371 5.873 ( 1.219 10.486 -7.151) 12.750 5.980 ( 4.934 2.913 3.816) 6.885 6.156 ( -4.996 12.275 -7.332) 15.146 6.343 ( 0.332 10.095 -7.744) 12.728 6.646 ( 2.422 3.017 -1.149) 4.036 6.812 ( -1.244 12.872 -0.151) 12.933 6.987 ( -4.568 15.568 -0.730) 16.241 7.034 ( -8.270 8.857 -3.545) 12.626 7.060 ( -6.581 3.843 -0.710) 7.654 7.239 ( -2.908 5.752 -6.986) 9.505 7.397 ( 8.153 -0.201 2.720) 8.597 7.553 ( 7.595 -1.992 -4.125) 8.869 7.672 ( 4.616 2.823 0.893) 5.484 7.692 ( 2.680 8.157 -1.307) 8.685 7.773 ( 4.777 3.947 -4.174) 7.472 7.826 ( 5.799 11.349 -3.839) 13.311 8.126 ( -0.132 8.604 6.270) 10.647 8.173 ( -3.812 -2.639 5.222) 6.983 8.353 ( -5.556 9.771 -0.636) 11.258 8.364 ( 2.208 9.761 -6.799) 12.099 8.786 ( 4.036 0.834 7.775) 8.799 8.952 ( -2.591 6.196 -0.947) 6.782 9.109 ( 6.335 13.038 -4.399) 15.148 9.249 ( -2.855 15.129 -4.517) 16.045 9.438 ( -5.401 11.770 2.696) 13.228 9.460 ( -7.488 9.564 3.198) 12.561 9.734 ( 7.604 16.490 3.409) 18.476 9.854 ( 0.333 6.934 5.851) 9.079 9.926 ( 3.702 11.970 3.224) 12.938 9.974 ( 1.372 10.045 3.018) 10.578 10.294 ( 0.183 2.323 6.565) 6.967 10.379 ( -7.424 8.288 -7.495) 13.416 10.492 ( -3.015 9.064 -4.535) 10.574 10.713 ( 0.783 1.847 -5.712) 6.054 10.853 ( -5.077 -9.700 -2.666) 11.268 10.980 ( -4.085 -6.771 -2.766) 8.378 10.994 ( 2.190 -10.265 0.116) 10.497 11.264 ( -6.398 -23.319 -7.563) 25.336 11.533 ( -1.030 -11.260 7.280) 13.448 11.635 ( -3.110 -15.392 4.425) 16.315 11.701 ( -2.635 -8.284 6.989) 11.155 11.906 ( -7.505 2.375 7.904) 11.155 12.031 ( 4.575 7.770 5.467) 10.545 12.130 ( -1.270 6.925 6.021) 9.264 12.275 ( 3.409 0.344 5.617) 6.580 12.467 ( 6.327 3.764 3.939) 8.349 13.121 ( 4.849 -4.426 -24.350) 25.220 13.340 ( 0.063 -5.235 -1.189) 5.369 13.525 ( -0.212 3.241 -17.266) 17.569 13.689 ( -3.596 -5.398 -12.119) 13.746 14.435 ( 6.728 8.439 -5.899) 12.300 14.788 ( 12.345 4.755 -11.120) 17.282 15.028 ( -5.157 -4.057 3.901) 7.634 15.473 ( -3.524 1.256 -1.904) 4.198 15.535 ( 1.308 -1.746 7.115) 7.442 15.656 ( -2.753 3.123 3.367) 5.355 15.734 ( -1.848 -2.295 1.263) 3.206 15.826 ( -2.106 -2.612 -0.264) 3.366 16.859 ( 0.178 -14.810 1.321) 14.870 16.945 ( -2.155 -10.627 1.952) 11.017 17.104 ( 1.403 -5.518 -4.664) 7.360 17.195 ( -0.457 3.572 -14.183) 14.633 17.940 ( 4.918 -0.546 30.286) 30.687 18.888 ( -26.018 -10.940 22.610) 36.164 19.590 ( 9.861 -14.076 -10.329) 20.051 20.069 ( -3.855 -15.264 -3.865) 16.210 21.771 ( -4.559 13.265 1.707) 14.130 21.877 ( -1.575 20.297 -0.139) 20.358 21.925 ( -2.939 9.490 -1.215) 10.009 21.976 ( -2.636 17.824 -1.180) 18.056 23.839 ( 2.409 0.787 2.925) 3.870 24.100 ( 3.253 -8.467 -7.643) 11.861 24.502 ( 9.083 -18.017 6.784) 21.287 24.742 ( 3.205 -22.068 -2.832) 22.478 ======================= Grid point 92 (36/72) ======================= q-point: ( 0.40 0.21 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.484 ( 12.533 21.901 7.443) 26.309 2.683 ( 11.308 27.826 -0.863) 30.049 2.773 ( -12.079 15.883 1.546) 20.014 2.987 ( -17.523 21.633 1.207) 27.866 3.159 ( 7.303 14.063 -8.285) 17.882 3.268 ( -0.595 11.898 -8.012) 14.356 3.312 ( 1.757 16.986 -5.451) 17.926 3.512 ( -12.974 8.982 -7.805) 17.605 3.867 ( -0.113 17.136 2.055) 17.259 3.903 ( -3.979 17.569 1.870) 18.111 4.111 ( 2.024 11.130 3.473) 11.834 4.169 ( -3.342 11.324 0.746) 11.830 4.581 ( 15.691 17.418 8.846) 25.057 4.710 ( 10.666 14.015 12.185) 21.416 4.784 ( 10.468 5.198 1.772) 11.821 4.846 ( -9.262 9.818 4.334) 14.176 4.928 ( -7.645 14.856 12.618) 20.937 4.959 ( -3.776 9.979 -0.949) 10.712 5.272 ( 6.929 9.826 5.031) 13.034 5.375 ( -2.714 14.217 12.431) 19.080 5.736 ( 3.167 7.724 -4.756) 9.607 5.783 ( -0.781 12.084 -3.956) 12.739 5.899 ( 1.413 11.579 -6.868) 13.537 5.937 ( -3.975 13.585 -2.722) 14.414 6.248 ( 12.706 9.384 -6.219) 16.975 6.424 ( 3.191 5.276 -6.113) 8.682 6.596 ( -6.089 10.493 -8.495) 14.810 6.692 ( -10.437 6.417 -7.161) 14.192 6.871 ( 0.322 6.227 3.314) 7.062 6.931 ( -4.860 9.975 2.137) 11.300 7.050 ( 3.796 7.146 -1.733) 8.275 7.148 ( -5.674 8.384 -4.620) 11.128 7.563 ( 7.629 2.231 3.351) 8.626 7.648 ( 0.011 1.582 0.395) 1.631 7.775 ( 5.204 0.266 -2.215) 5.662 7.788 ( 6.223 7.179 -0.636) 9.522 7.846 ( 2.256 -2.262 -2.637) 4.143 7.932 ( 1.020 5.970 -0.483) 6.076 8.058 ( -1.970 4.508 1.263) 5.079 8.132 ( -3.626 10.870 1.895) 11.614 8.295 ( 2.395 12.735 -1.085) 13.003 8.376 ( -2.368 18.113 -4.667) 18.854 8.837 ( 1.264 1.487 3.822) 4.292 8.883 ( -3.892 2.602 0.745) 4.740 9.226 ( 4.962 9.477 -0.097) 10.698 9.247 ( 4.751 9.830 -2.867) 11.288 9.334 ( -5.892 7.296 1.642) 9.520 9.355 ( -4.606 7.592 -0.541) 8.896 9.834 ( 3.181 7.263 3.400) 8.627 9.890 ( 6.611 15.444 1.170) 16.840 9.947 ( -3.864 17.457 3.353) 18.191 9.998 ( -3.357 13.617 0.356) 14.029 10.223 ( 0.253 1.722 -3.103) 3.558 10.320 ( -2.963 8.600 -3.750) 9.839 10.473 ( 4.262 4.809 9.325) 11.325 10.646 ( -9.752 2.988 2.431) 10.485 10.815 ( 3.087 -2.314 -4.480) 5.912 10.885 ( -4.371 -1.825 -6.386) 7.951 11.054 ( 3.958 -15.560 -4.466) 16.665 11.148 ( -5.395 -22.999 -6.410) 24.478 11.521 ( 0.513 -8.095 6.151) 10.180 11.564 ( -3.468 -6.139 5.332) 8.840 11.690 ( 1.118 -15.779 4.266) 16.384 11.757 ( -6.121 -5.540 5.711) 10.038 12.084 ( 1.348 6.295 5.138) 8.237 12.104 ( -1.066 4.493 5.834) 7.440 12.401 ( 7.420 -1.424 7.875) 10.913 12.507 ( -2.443 -0.579 6.728) 7.181 13.249 ( 7.398 -0.133 -17.755) 19.235 13.344 ( -1.268 -4.984 -11.968) 13.026 13.527 ( 1.188 2.345 -14.344) 14.583 13.595 ( -5.254 -1.809 -13.927) 14.994 14.619 ( 11.601 6.138 -1.642) 13.227 14.852 ( -11.019 2.422 1.089) 11.335 15.082 ( 15.048 2.907 -12.431) 19.734 15.342 ( -10.439 2.287 -10.761) 15.166 15.562 ( 1.472 -4.111 10.489) 11.362 15.599 ( -2.478 -2.795 9.137) 9.872 15.726 ( 1.194 2.373 2.047) 3.353 15.771 ( -3.023 1.886 1.654) 3.929 16.869 ( 0.972 -12.807 1.812) 12.971 16.900 ( -2.128 -10.788 1.759) 11.136 17.139 ( 2.034 -3.585 -7.835) 8.853 17.175 ( -1.541 -0.126 -11.477) 11.581 18.097 ( 11.691 -3.186 33.462) 35.589 18.413 ( -21.036 -6.801 33.767) 40.361 19.770 ( 9.233 -13.612 -15.780) 22.794 19.946 ( -8.354 -14.929 -11.480) 20.602 21.726 ( 0.465 18.765 2.938) 18.999 21.788 ( -5.311 21.077 2.689) 21.901 21.905 ( 0.614 15.247 -3.369) 15.627 21.932 ( -1.976 17.210 -2.263) 17.470 23.944 ( 6.965 -5.043 2.487) 8.952 24.068 ( -5.005 -8.981 -1.698) 10.421 24.697 ( 8.197 -21.793 0.629) 23.292 24.779 ( -0.438 -22.786 -1.971) 22.876 ======================= Grid point 95 (37/72) ======================= q-point: ( 0.00 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.956 ( 0.000 30.972 2.965) 31.114 2.980 ( 0.000 28.953 -4.512) 29.303 3.244 ( 0.000 21.003 -9.745) 23.154 3.363 ( 0.000 11.051 -9.392) 14.503 3.511 ( 0.000 12.232 0.123) 12.233 3.683 ( 0.000 16.887 -5.214) 17.674 3.892 ( 0.000 5.007 10.212) 11.373 4.049 ( 0.000 4.675 5.938) 7.557 4.074 ( 0.000 10.168 6.527) 12.083 4.235 ( 0.000 11.489 3.753) 12.086 4.310 ( 0.000 9.295 -3.551) 9.951 4.387 ( 0.000 0.897 4.492) 4.581 4.549 ( 0.000 9.281 0.447) 9.292 4.565 ( 0.000 7.131 1.893) 7.378 4.740 ( 0.000 11.051 -3.396) 11.561 4.884 ( 0.000 26.346 17.163) 31.444 5.235 ( 0.000 9.655 1.642) 9.794 5.286 ( 0.000 -2.129 3.481) 4.080 5.331 ( 0.000 8.165 0.358) 8.173 5.613 ( 0.000 4.951 -1.287) 5.116 5.710 ( 0.000 9.266 11.482) 14.754 5.935 ( 0.000 1.581 5.542) 5.763 5.983 ( 0.000 5.727 -11.621) 12.955 6.083 ( 0.000 9.453 2.419) 9.758 6.288 ( 0.000 13.542 -12.681) 18.553 6.613 ( 0.000 5.213 2.745) 5.892 6.709 ( 0.000 12.669 -13.021) 18.167 6.955 ( 0.000 2.281 -7.363) 7.709 7.169 ( 0.000 -5.433 -0.519) 5.458 7.225 ( 0.000 3.348 2.242) 4.030 7.286 ( 0.000 -5.227 0.847) 5.295 7.318 ( 0.000 -0.789 -1.175) 1.415 7.324 ( 0.000 5.404 -3.696) 6.547 7.416 ( 0.000 11.042 -1.462) 11.138 7.617 ( 0.000 0.890 -0.649) 1.102 7.694 ( 0.000 3.410 8.217) 8.896 7.934 ( 0.000 7.193 -4.594) 8.535 8.085 ( 0.000 16.487 0.817) 16.507 8.230 ( 0.000 2.109 7.186) 7.489 8.301 ( 0.000 10.138 -5.716) 11.638 8.507 ( 0.000 12.236 -7.467) 14.335 8.649 ( 0.000 12.715 -2.722) 13.003 8.879 ( 0.000 13.371 7.245) 15.207 9.103 ( 0.000 4.113 -2.444) 4.784 9.239 ( 0.000 10.148 3.106) 10.613 9.571 ( 0.000 7.550 -7.396) 10.569 9.722 ( 0.000 1.847 9.830) 10.001 9.850 ( 0.000 0.031 1.786) 1.786 9.892 ( 0.000 8.499 2.403) 8.832 9.996 ( 0.000 20.291 -0.925) 20.313 10.106 ( 0.000 14.699 4.599) 15.402 10.146 ( 0.000 7.542 5.271) 9.201 10.397 ( 0.000 -30.571 -6.266) 31.206 10.434 ( 0.000 3.358 -1.115) 3.539 10.489 ( 0.000 -1.430 -1.606) 2.150 10.550 ( 0.000 -6.796 1.263) 6.913 10.693 ( 0.000 1.915 -4.753) 5.124 10.778 ( 0.000 3.431 -8.062) 8.761 10.920 ( 0.000 -2.911 -3.858) 4.832 11.254 ( 0.000 11.431 3.519) 11.960 11.415 ( 0.000 -1.448 -6.915) 7.065 11.438 ( 0.000 1.223 13.873) 13.927 11.798 ( 0.000 1.353 3.356) 3.618 12.069 ( 0.000 7.931 3.536) 8.684 12.101 ( 0.000 4.103 4.628) 6.185 12.392 ( 0.000 -2.520 -7.438) 7.853 12.413 ( 0.000 14.350 13.668) 19.817 12.495 ( 0.000 17.369 10.403) 20.246 12.906 ( 0.000 -8.459 -18.012) 19.899 13.275 ( 0.000 -3.486 3.903) 5.233 13.479 ( 0.000 -8.757 0.979) 8.811 13.608 ( 0.000 -2.457 -10.113) 10.407 14.594 ( 0.000 11.930 -11.053) 16.263 14.694 ( 0.000 -0.557 -6.894) 6.917 14.966 ( 0.000 -4.776 3.103) 5.695 15.380 ( 0.000 -9.521 2.978) 9.976 15.464 ( 0.000 -5.849 -10.547) 12.061 15.665 ( 0.000 -3.276 -6.842) 7.585 15.676 ( 0.000 -5.151 -4.175) 6.630 15.764 ( 0.000 -3.817 -9.650) 10.377 16.746 ( 0.000 2.269 10.321) 10.568 16.871 ( 0.000 0.690 8.727) 8.754 16.951 ( 0.000 -6.172 13.826) 15.141 17.370 ( 0.000 8.708 -18.189) 20.166 17.990 ( 0.000 8.643 16.608) 18.722 18.907 ( 0.000 -20.615 33.332) 39.192 19.182 ( 0.000 -8.023 -23.818) 25.133 19.772 ( 0.000 -18.270 -2.856) 18.492 21.880 ( 0.000 -1.913 0.953) 2.138 21.972 ( 0.000 0.775 -2.303) 2.430 22.253 ( 0.000 11.082 0.067) 11.082 22.255 ( 0.000 6.816 0.037) 6.816 23.907 ( 0.000 1.612 -0.245) 1.630 23.944 ( 0.000 -1.309 -2.487) 2.811 24.131 ( 0.000 -12.432 4.912) 13.367 24.304 ( 0.000 -18.338 -2.086) 18.456 ======================= Grid point 96 (38/72) ======================= q-point: ( 0.20 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.910 ( -1.573 28.839 2.333) 28.976 3.064 ( 5.731 27.531 -2.121) 28.201 3.242 ( -5.031 14.168 -5.191) 15.906 3.339 ( 1.708 14.705 -8.636) 17.138 3.482 ( -2.306 12.353 -2.121) 12.744 3.638 ( -7.338 15.672 -5.133) 18.050 3.697 ( -7.290 12.758 7.814) 16.642 3.936 ( -8.800 11.980 3.925) 15.374 4.177 ( 0.298 11.452 0.180) 11.457 4.210 ( 2.022 8.675 5.237) 10.333 4.328 ( -0.159 9.480 -2.316) 9.760 4.420 ( 0.317 8.051 -2.827) 8.539 4.549 ( 5.187 4.388 1.532) 6.964 4.669 ( 3.582 9.139 -0.095) 9.816 4.886 ( 16.199 8.771 9.939) 20.932 4.970 ( 7.694 16.374 13.030) 22.295 5.196 ( -7.209 0.648 3.872) 8.209 5.229 ( -1.696 7.817 8.460) 11.643 5.288 ( -4.831 3.269 -0.292) 5.841 5.628 ( 3.122 11.582 6.705) 13.742 5.787 ( 6.528 7.610 4.433) 10.963 5.967 ( 2.413 4.638 -3.010) 6.033 6.054 ( -0.542 6.195 -4.115) 7.456 6.102 ( 7.172 8.867 -0.623) 11.421 6.324 ( 4.056 10.161 -10.651) 15.269 6.560 ( -4.945 8.508 -3.650) 10.495 6.673 ( -3.099 4.117 -8.931) 10.311 6.918 ( -4.549 0.555 -8.375) 9.547 7.029 ( -10.827 -4.114 2.054) 11.763 7.119 ( -8.095 4.774 2.353) 9.688 7.227 ( 1.615 4.122 -0.097) 4.428 7.352 ( 1.057 4.773 -2.899) 5.684 7.456 ( 5.214 7.033 -1.745) 8.927 7.540 ( 10.402 0.245 -3.998) 11.147 7.641 ( 4.635 -1.494 1.099) 4.992 7.783 ( 6.679 6.109 5.648) 10.669 7.924 ( -1.160 4.889 -0.953) 5.114 8.119 ( -1.576 10.048 1.639) 10.302 8.196 ( 0.387 9.388 -1.896) 9.585 8.352 ( 6.356 13.131 3.622) 15.031 8.525 ( -0.790 9.911 -5.638) 11.430 8.670 ( 3.759 15.244 -4.330) 16.287 8.918 ( 3.454 12.712 6.139) 14.533 9.058 ( -4.035 4.439 0.794) 6.051 9.315 ( 6.699 7.860 -2.491) 10.624 9.504 ( -6.037 8.667 -4.570) 11.509 9.640 ( -9.122 8.108 1.093) 12.253 9.738 ( -6.287 12.429 1.999) 14.072 9.867 ( -4.116 2.573 4.371) 6.532 9.982 ( 3.228 4.334 2.295) 5.871 10.181 ( 6.586 7.569 2.479) 10.335 10.253 ( 3.879 2.587 2.354) 5.223 10.343 ( -4.563 -3.996 0.949) 6.140 10.439 ( 0.393 -6.426 -4.118) 7.642 10.503 ( 2.218 -12.068 -0.783) 12.295 10.576 ( 1.540 2.881 3.178) 4.557 10.653 ( -4.304 1.176 -4.284) 6.185 10.733 ( -3.500 2.029 -9.040) 9.903 10.858 ( -4.163 -4.349 -1.803) 6.284 11.164 ( -8.614 10.625 4.241) 14.321 11.443 ( 1.774 0.810 8.493) 8.714 11.458 ( 3.080 1.387 -5.241) 6.235 11.727 ( -6.501 4.083 0.934) 7.733 11.966 ( -8.120 3.738 0.970) 8.992 12.189 ( 6.222 4.680 4.512) 8.999 12.325 ( -3.763 11.399 14.350) 18.709 12.425 ( -3.390 12.856 4.025) 13.891 12.496 ( 2.824 0.995 2.615) 3.975 13.006 ( 7.937 -6.855 -13.616) 17.186 13.251 ( -1.573 -4.114 0.983) 4.513 13.501 ( 1.868 -5.502 -1.533) 6.009 13.612 ( 0.056 -1.957 -9.855) 10.047 14.618 ( 3.816 9.142 -7.610) 12.492 14.831 ( 11.598 -0.214 -7.810) 13.984 14.948 ( -2.039 -3.740 2.628) 5.005 15.393 ( 1.390 -8.846 1.601) 9.096 15.437 ( -3.268 -6.035 -9.683) 11.869 15.614 ( -3.944 -2.947 -5.821) 7.624 15.686 ( 0.278 -3.918 -5.863) 7.058 15.756 ( -0.881 -4.127 -9.192) 10.115 16.756 ( 1.013 2.327 10.173) 10.485 16.856 ( -1.392 0.824 8.913) 9.059 16.985 ( 3.415 -5.266 11.238) 12.872 17.331 ( -3.999 7.044 -16.041) 17.970 18.016 ( 2.761 7.726 18.406) 20.152 18.651 ( -18.691 -11.469 28.870) 36.255 19.324 ( 8.874 -13.137 -17.250) 23.429 19.737 ( -3.687 -18.058 -5.760) 19.310 21.896 ( 1.732 0.743 1.289) 2.284 22.000 ( 2.645 1.246 -2.481) 3.834 22.196 ( -4.894 8.450 1.035) 9.820 22.237 ( -2.325 8.923 -0.534) 9.236 23.866 ( -0.989 1.457 1.290) 2.183 23.966 ( -0.800 -5.592 -2.606) 6.222 24.205 ( 6.936 -11.896 3.312) 14.163 24.343 ( 3.052 -18.103 -1.868) 18.454 ======================= Grid point 97 (39/72) ======================= q-point: ( 0.40 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.923 ( 3.525 22.636 5.029) 23.454 3.057 ( -9.914 14.392 4.185) 17.970 3.198 ( 8.131 23.442 -1.864) 24.882 3.373 ( -9.213 17.268 -2.618) 19.746 3.456 ( 7.404 14.869 -8.371) 18.601 3.530 ( -0.916 14.848 -3.761) 15.344 3.640 ( -0.744 15.422 -2.899) 15.709 3.743 ( -10.023 15.808 -2.626) 18.901 4.188 ( 1.181 14.005 1.129) 14.099 4.212 ( -1.176 13.008 1.865) 13.193 4.329 ( 1.072 11.640 -2.017) 11.862 4.373 ( -3.357 9.957 -5.442) 11.834 4.720 ( 11.069 2.975 4.990) 12.501 4.817 ( 7.419 1.473 4.812) 8.965 4.983 ( -6.048 4.313 3.018) 8.018 5.028 ( -4.517 8.124 13.328) 16.249 5.108 ( 0.371 7.775 7.828) 11.039 5.180 ( -4.438 8.053 9.224) 13.024 5.386 ( 17.416 1.768 7.836) 19.179 5.647 ( -6.133 11.533 10.100) 16.512 5.896 ( 5.586 8.881 -0.074) 10.492 5.995 ( -2.728 9.159 -0.017) 9.557 6.066 ( 5.948 7.366 -7.196) 11.892 6.185 ( -2.581 10.890 0.119) 11.192 6.449 ( 7.991 3.801 -8.191) 12.058 6.502 ( 1.643 7.808 -12.411) 14.755 6.606 ( -2.981 -6.376 -6.514) 9.590 6.726 ( -12.457 0.619 -8.274) 14.967 6.927 ( -0.746 3.143 4.522) 5.557 6.975 ( -5.547 5.027 3.937) 8.458 7.272 ( 2.792 7.509 -4.901) 9.392 7.328 ( -2.711 7.987 -6.525) 10.664 7.613 ( 9.089 0.953 -1.037) 9.197 7.686 ( 3.660 2.739 -3.404) 5.699 7.775 ( 6.504 1.707 1.831) 6.969 7.862 ( -2.505 5.063 1.702) 5.900 7.902 ( 2.467 3.700 3.986) 5.972 7.999 ( -7.466 3.178 8.809) 11.977 8.272 ( 6.013 14.151 -6.830) 16.824 8.401 ( -5.704 13.614 -2.705) 15.006 8.609 ( 12.707 16.265 1.777) 20.716 8.758 ( 2.012 15.957 -3.533) 16.466 8.948 ( -2.342 10.915 3.938) 11.838 8.956 ( -5.247 4.109 3.052) 7.330 9.403 ( -0.259 9.797 -0.972) 9.848 9.432 ( 2.768 7.439 -4.789) 9.270 9.509 ( -3.187 9.513 -2.356) 10.306 9.602 ( -8.130 16.039 -1.668) 18.060 9.836 ( 6.201 -1.809 1.928) 6.741 10.047 ( -9.201 -2.485 -4.188) 10.410 10.195 ( 7.410 2.654 4.670) 9.152 10.310 ( 1.794 2.046 1.009) 2.902 10.328 ( 1.336 -7.720 5.177) 9.391 10.439 ( -5.305 0.441 -6.004) 8.024 10.484 ( -2.351 -6.224 -2.327) 7.048 10.526 ( -3.375 -0.982 0.219) 3.522 10.665 ( 5.767 -6.165 5.620) 10.142 10.722 ( 1.170 0.335 3.184) 3.409 10.815 ( 1.071 5.031 -6.912) 8.616 10.959 ( -11.096 10.077 2.509) 15.197 11.476 ( 2.925 3.303 2.493) 5.067 11.556 ( 0.021 5.216 -4.959) 7.197 11.608 ( 1.619 1.664 1.946) 3.030 11.782 ( -10.417 4.214 -1.546) 11.343 12.259 ( 0.965 7.837 9.327) 12.220 12.282 ( -1.075 11.149 8.903) 14.308 12.424 ( 3.660 4.697 8.556) 10.424 12.499 ( -2.571 0.826 5.812) 6.409 13.148 ( 5.868 -7.755 -9.711) 13.743 13.223 ( -1.968 -6.464 -5.279) 8.574 13.546 ( 2.710 -0.695 -5.929) 6.556 13.595 ( -1.914 -0.165 -9.058) 9.259 14.735 ( 7.417 5.198 -2.628) 9.431 14.871 ( -5.738 -0.123 1.445) 5.918 15.087 ( 13.266 -3.009 -8.352) 15.962 15.313 ( -9.320 -6.124 -8.353) 13.933 15.442 ( 3.512 -5.276 -1.587) 6.533 15.526 ( -4.789 -2.626 -5.101) 7.474 15.700 ( 1.342 -3.752 -7.107) 8.148 15.731 ( -1.592 -4.185 -8.233) 9.372 16.784 ( 1.805 2.204 9.680) 10.091 16.822 ( -1.998 1.551 9.152) 9.495 17.082 ( 6.414 -2.552 3.629) 7.798 17.220 ( -7.101 2.381 -7.826) 10.833 18.108 ( 7.185 4.509 23.584) 25.063 18.315 ( -14.388 -2.102 29.179) 32.601 19.485 ( 7.897 -15.126 -16.053) 23.428 19.631 ( -6.897 -16.848 -11.690) 21.635 21.954 ( 4.216 4.726 1.617) 6.536 22.038 ( -1.895 4.477 -1.096) 4.983 22.112 ( -0.104 6.884 0.799) 6.931 22.174 ( -3.905 7.199 -1.098) 8.263 23.880 ( 2.027 -1.825 1.160) 2.964 23.928 ( -2.571 -5.312 -0.447) 5.919 24.335 ( 5.133 -15.057 0.515) 15.916 24.383 ( 0.246 -17.372 -1.056) 17.406 ======================= Grid point 100 (40/72) ======================= q-point: ( 0.00 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.458 ( 0.000 12.355 -3.714) 12.901 3.474 ( 0.000 16.697 -2.587) 16.896 3.505 ( 0.000 12.784 -3.899) 13.365 3.583 ( 0.000 16.918 -9.402) 19.355 3.795 ( 0.000 16.072 3.796) 16.514 3.951 ( 0.000 4.958 9.136) 10.395 4.048 ( 0.000 14.240 -5.516) 15.271 4.110 ( 0.000 2.591 8.249) 8.647 4.232 ( 0.000 6.912 0.991) 6.982 4.369 ( 0.000 0.222 -5.204) 5.209 4.462 ( 0.000 11.079 8.331) 13.862 4.513 ( 0.000 8.860 3.620) 9.571 4.692 ( 0.000 5.704 -0.315) 5.713 4.702 ( 0.000 6.575 3.531) 7.463 4.885 ( 0.000 3.031 4.750) 5.634 5.095 ( 0.000 -0.021 11.856) 11.856 5.207 ( 0.000 -4.843 4.226) 6.428 5.392 ( 0.000 -2.954 -0.903) 3.089 5.427 ( 0.000 8.660 -6.638) 10.911 5.830 ( 0.000 3.936 -2.733) 4.792 5.864 ( 0.000 17.965 7.872) 19.614 5.984 ( 0.000 3.568 2.799) 4.535 6.001 ( 0.000 -1.275 -7.240) 7.352 6.175 ( 0.000 3.102 9.907) 10.381 6.635 ( 0.000 17.060 -12.194) 20.970 6.788 ( 0.000 8.597 0.406) 8.607 6.845 ( 0.000 2.620 -11.315) 11.615 7.004 ( 0.000 2.550 -5.905) 6.432 7.016 ( 0.000 -3.551 4.577) 5.793 7.245 ( 0.000 0.656 -0.131) 0.669 7.252 ( 0.000 -3.279 -0.587) 3.331 7.330 ( 0.000 5.935 5.195) 7.888 7.451 ( 0.000 8.383 -9.547) 12.705 7.596 ( 0.000 5.166 -3.522) 6.253 7.705 ( 0.000 -0.957 14.500) 14.531 7.719 ( 0.000 7.944 4.096) 8.938 8.093 ( 0.000 8.897 -4.865) 10.140 8.259 ( 0.000 0.673 0.997) 1.203 8.361 ( 0.000 11.318 0.127) 11.319 8.474 ( 0.000 6.123 -7.655) 9.803 8.746 ( 0.000 11.587 -4.631) 12.478 8.825 ( 0.000 1.835 -11.280) 11.428 9.133 ( 0.000 9.600 -1.511) 9.718 9.195 ( 0.000 5.857 -0.145) 5.859 9.419 ( 0.000 8.704 6.037) 10.593 9.489 ( 0.000 -11.005 -0.492) 11.016 9.697 ( 0.000 -3.617 8.754) 9.472 9.715 ( 0.000 -27.675 2.208) 27.763 9.821 ( 0.000 -0.329 -0.671) 0.747 9.977 ( 0.000 1.722 -4.584) 4.897 10.077 ( 0.000 -9.904 -7.914) 12.677 10.129 ( 0.000 -0.246 -0.575) 0.625 10.415 ( 0.000 6.456 0.600) 6.483 10.494 ( 0.000 13.321 -3.082) 13.673 10.648 ( 0.000 2.379 12.477) 12.702 10.704 ( 0.000 3.765 -0.701) 3.829 10.845 ( 0.000 7.811 8.825) 11.785 10.881 ( 0.000 21.205 5.131) 21.817 10.960 ( 0.000 9.124 -8.965) 12.791 11.366 ( 0.000 -3.219 -3.798) 4.978 11.482 ( 0.000 2.645 12.212) 12.495 11.740 ( 0.000 29.297 -6.349) 29.977 11.892 ( 0.000 9.048 0.349) 9.054 12.134 ( 0.000 -6.508 -5.473) 8.503 12.230 ( 0.000 9.523 0.443) 9.533 12.316 ( 0.000 0.743 -4.430) 4.492 12.654 ( 0.000 8.894 4.740) 10.078 12.744 ( 0.000 -8.073 -2.999) 8.612 12.838 ( 0.000 15.937 13.601) 20.952 13.209 ( 0.000 -3.396 4.260) 5.448 13.280 ( 0.000 -10.292 7.110) 12.509 13.550 ( 0.000 -4.509 -3.116) 5.481 14.648 ( 0.000 -3.200 -0.497) 3.238 14.754 ( 0.000 1.332 5.515) 5.673 14.903 ( 0.000 -1.483 2.890) 3.248 15.258 ( 0.000 0.587 -19.727) 19.736 15.302 ( 0.000 -10.016 -2.622) 10.354 15.609 ( 0.000 -0.747 -17.949) 17.964 15.645 ( 0.000 1.194 -16.567) 16.610 15.704 ( 0.000 -1.833 -18.874) 18.963 16.845 ( 0.000 6.015 16.076) 17.164 16.877 ( 0.000 -1.386 23.930) 23.970 16.941 ( 0.000 5.300 12.664) 13.728 17.469 ( 0.000 0.434 -10.150) 10.159 18.200 ( 0.000 12.112 6.825) 13.902 18.614 ( 0.000 -8.232 25.366) 26.669 19.009 ( 0.000 -9.228 -19.845) 21.885 19.411 ( 0.000 -18.345 -4.718) 18.942 21.832 ( 0.000 -2.617 1.110) 2.843 21.932 ( 0.000 -3.830 -2.682) 4.676 22.285 ( 0.000 -2.712 1.578) 3.138 22.347 ( 0.000 -0.902 -0.798) 1.204 23.887 ( 0.000 -5.325 0.845) 5.392 23.919 ( 0.000 -0.609 -0.320) 0.688 23.981 ( 0.000 -2.708 0.488) 2.752 24.013 ( 0.000 -10.978 -0.603) 10.995 ======================= Grid point 101 (41/72) ======================= q-point: ( 0.20 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.368 ( -4.685 10.889 -0.497) 11.864 3.468 ( -4.261 17.976 0.279) 18.476 3.542 ( 2.905 21.311 -2.166) 21.617 3.598 ( 1.815 9.824 -9.959) 14.106 3.744 ( -1.459 13.377 -0.389) 13.462 3.898 ( -7.704 11.765 -0.585) 14.075 3.954 ( -1.882 11.591 5.327) 12.895 4.169 ( -1.308 11.198 0.228) 11.276 4.309 ( 6.215 3.124 0.693) 6.990 4.394 ( -2.579 10.198 6.657) 12.448 4.427 ( 4.488 -0.466 -5.454) 7.078 4.565 ( 1.776 8.999 1.358) 9.273 4.664 ( 1.536 6.189 2.984) 7.041 4.783 ( 3.052 2.825 0.557) 4.196 4.996 ( 12.497 1.165 9.236) 15.583 5.088 ( -2.351 -1.250 9.647) 10.008 5.163 ( -1.355 -1.375 6.696) 6.969 5.297 ( -8.925 -0.944 -0.776) 9.008 5.377 ( -3.704 5.215 2.244) 6.779 5.863 ( 2.646 6.257 -2.363) 7.193 5.937 ( 4.450 8.002 5.897) 10.890 6.046 ( 5.629 4.344 0.718) 7.147 6.080 ( 5.007 1.171 -3.933) 6.474 6.219 ( 6.464 4.573 5.495) 9.639 6.569 ( -7.062 11.287 -5.742) 14.500 6.660 ( -8.743 3.694 -2.154) 9.733 6.799 ( -6.060 4.976 -11.004) 13.512 6.899 ( -5.302 1.440 -7.133) 9.004 7.012 ( -1.321 3.349 2.484) 4.374 7.239 ( -4.667 7.764 2.006) 9.278 7.306 ( 6.262 4.882 0.944) 7.996 7.436 ( 4.378 3.772 -5.415) 7.920 7.510 ( 8.362 -0.027 -2.929) 8.860 7.590 ( 1.515 3.570 -3.788) 5.421 7.695 ( 4.363 4.194 7.940) 9.984 7.846 ( 6.570 2.468 7.067) 9.960 8.050 ( -3.308 7.535 -0.203) 8.232 8.216 ( -4.096 3.752 3.453) 6.541 8.430 ( 2.944 7.828 -12.821) 15.307 8.587 ( 12.527 9.959 2.302) 16.168 8.700 ( -3.621 6.666 -7.138) 10.416 8.875 ( 3.759 4.604 -7.382) 9.477 9.137 ( -3.705 5.430 1.531) 6.749 9.175 ( 1.382 8.578 -1.868) 8.887 9.447 ( 3.577 6.327 0.614) 7.294 9.494 ( 0.704 -8.109 -1.216) 8.230 9.697 ( -2.148 -8.738 0.341) 9.004 9.755 ( 3.857 -15.042 4.417) 16.144 9.777 ( -2.424 -0.489 1.597) 2.944 9.964 ( 0.001 1.189 1.146) 1.652 10.080 ( -5.045 2.425 -1.462) 5.785 10.093 ( 0.856 -7.224 -7.156) 10.204 10.294 ( -7.080 5.020 1.511) 8.809 10.435 ( -7.798 1.229 -2.681) 8.337 10.582 ( -9.555 -4.354 3.316) 11.011 10.709 ( 4.693 12.085 7.510) 14.983 10.815 ( -6.957 3.592 -1.852) 8.045 10.915 ( 2.418 12.853 5.415) 14.155 11.000 ( 5.968 20.925 3.425) 22.028 11.365 ( -4.096 2.853 5.714) 7.587 11.477 ( 4.499 3.523 -2.656) 6.301 11.680 ( -3.845 19.928 -1.459) 20.348 11.882 ( -5.744 11.617 -6.977) 14.718 12.010 ( -5.704 0.595 -5.545) 7.977 12.279 ( 3.381 4.533 4.684) 7.343 12.410 ( 5.475 2.503 -0.148) 6.022 12.599 ( -8.035 1.772 3.903) 9.107 12.634 ( -2.026 8.293 5.685) 10.256 12.945 ( 5.927 3.706 5.604) 8.959 13.170 ( -2.294 -4.014 4.028) 6.132 13.372 ( 6.691 -7.087 3.904) 10.499 13.557 ( 0.390 -4.610 -3.160) 5.603 14.707 ( 4.620 -1.041 1.062) 4.853 14.802 ( 5.303 -2.986 4.687) 7.682 14.894 ( -0.889 -1.894 3.864) 4.394 15.248 ( -2.936 -7.810 -7.018) 10.902 15.317 ( 3.313 -0.633 -15.767) 16.124 15.599 ( -1.561 1.140 -18.679) 18.779 15.636 ( -0.390 -0.137 -17.046) 17.051 15.696 ( -0.884 -1.612 -18.936) 19.025 16.851 ( 0.679 5.484 15.573) 16.525 16.907 ( 1.936 0.909 19.632) 19.748 16.940 ( 1.113 3.262 15.346) 15.728 17.401 ( -6.845 -0.625 -5.833) 9.015 18.212 ( 1.357 11.678 7.815) 14.117 18.507 ( -8.582 -2.212 21.435) 23.195 19.080 ( 5.684 -11.769 -16.759) 21.252 19.384 ( -2.826 -17.872 -6.612) 19.265 21.868 ( 3.599 -2.488 1.244) 4.549 21.970 ( 3.660 -3.559 -2.690) 5.771 22.238 ( -4.547 -2.468 1.955) 5.531 22.310 ( -3.647 -1.353 -0.910) 3.995 23.868 ( -1.169 -4.447 0.544) 4.630 23.883 ( -1.927 0.120 0.004) 1.931 24.042 ( 4.098 -5.492 0.165) 6.854 24.056 ( 3.363 -11.091 -0.323) 11.594 ======================= Grid point 102 (42/72) ======================= q-point: ( 0.40 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.314 ( -0.196 14.468 3.066) 14.791 3.364 ( -4.950 19.548 3.729) 20.507 3.594 ( 3.044 16.181 -4.439) 17.053 3.642 ( 0.404 11.761 -7.548) 13.981 3.733 ( 0.088 12.979 -1.098) 13.025 3.791 ( -3.718 11.291 -3.617) 12.425 3.941 ( 3.146 15.274 0.794) 15.615 4.067 ( -7.705 15.403 -2.247) 17.369 4.382 ( 0.848 5.115 1.543) 5.410 4.383 ( 0.982 6.478 1.275) 6.675 4.515 ( 3.899 4.763 -2.550) 6.662 4.567 ( -1.361 9.161 -1.692) 9.415 4.753 ( 6.667 0.850 4.240) 7.946 4.838 ( 1.058 0.823 3.499) 3.747 5.000 ( -2.254 -2.240 2.097) 3.807 5.101 ( -9.570 -0.548 -0.186) 9.588 5.183 ( 3.718 0.716 14.450) 14.938 5.241 ( 0.388 0.177 9.970) 9.979 5.408 ( 14.849 2.001 8.504) 17.229 5.742 ( -14.683 -1.512 6.600) 16.169 6.062 ( 7.724 7.693 0.515) 10.914 6.142 ( 1.287 5.958 2.181) 6.474 6.208 ( 8.516 5.067 -3.152) 10.398 6.386 ( 2.117 10.116 2.126) 10.551 6.389 ( -3.666 -4.246 -5.782) 8.056 6.524 ( -6.165 0.966 -3.811) 7.312 6.695 ( -1.411 7.109 -9.758) 12.155 6.775 ( -7.160 4.957 -7.572) 11.540 7.028 ( 3.162 7.252 2.318) 8.244 7.124 ( -6.117 9.448 2.110) 11.451 7.406 ( 3.984 7.179 -7.366) 11.031 7.471 ( -2.137 6.190 -8.262) 10.543 7.626 ( 9.463 1.191 0.540) 9.553 7.740 ( 2.973 2.548 -2.094) 4.440 7.818 ( 7.091 1.860 7.118) 10.218 7.908 ( -0.906 1.547 3.852) 4.248 8.007 ( 0.743 5.606 3.914) 6.877 8.101 ( -6.854 5.960 6.226) 11.012 8.490 ( 4.382 5.532 -11.449) 13.449 8.604 ( -6.291 4.701 -8.239) 11.382 8.864 ( 12.539 10.504 1.137) 16.397 8.966 ( 6.001 5.252 -4.589) 9.201 9.032 ( -5.089 4.368 2.031) 7.008 9.149 ( -6.278 4.941 -2.389) 8.339 9.518 ( 2.277 0.424 -2.951) 3.751 9.573 ( 2.691 5.137 -2.325) 6.248 9.616 ( 2.087 -0.238 -1.648) 2.670 9.806 ( -0.740 -8.829 0.664) 8.885 9.817 ( 3.558 0.251 -0.804) 3.656 9.887 ( -4.675 4.282 3.478) 7.231 10.000 ( -1.837 -0.675 2.190) 2.937 10.092 ( -6.759 -2.311 1.405) 7.280 10.248 ( 5.938 -3.683 -2.963) 7.589 10.307 ( -2.256 -6.439 -5.098) 8.517 10.415 ( -3.835 -6.820 -0.104) 7.825 10.571 ( -14.384 0.588 -3.646) 14.851 10.838 ( 5.931 9.670 12.109) 16.593 10.926 ( -2.218 9.427 13.089) 16.282 11.134 ( 6.767 20.984 3.683) 22.354 11.252 ( -5.817 15.499 2.378) 16.724 11.639 ( 0.585 12.204 -1.510) 12.311 11.646 ( 10.765 3.504 -6.064) 12.843 11.724 ( -7.142 8.895 -9.043) 14.557 11.869 ( -10.228 6.083 -6.183) 13.411 12.360 ( 4.448 3.908 6.914) 9.102 12.438 ( -3.117 4.975 7.336) 9.396 12.535 ( 2.028 4.505 4.482) 6.670 12.588 ( -2.708 6.636 5.605) 9.099 13.048 ( 4.658 -0.916 2.773) 5.497 13.122 ( -2.955 -2.940 2.508) 4.865 13.490 ( 4.838 -5.173 -0.169) 7.085 13.550 ( -1.447 -4.719 -2.555) 5.558 14.787 ( 3.658 -0.411 5.047) 6.247 14.848 ( -2.400 -2.029 5.721) 6.528 14.970 ( 9.346 -7.832 0.730) 12.216 15.142 ( -7.572 -9.591 -1.453) 12.306 15.418 ( 6.238 3.046 -20.853) 21.979 15.533 ( -5.036 2.950 -20.034) 20.867 15.646 ( 1.155 -1.061 -18.280) 18.347 15.672 ( -1.423 -1.291 -18.849) 18.947 16.871 ( 1.366 5.343 14.318) 15.343 16.899 ( -1.376 5.162 13.597) 14.608 17.041 ( 7.988 -1.461 16.037) 17.975 17.225 ( -10.273 -1.797 5.362) 11.726 18.257 ( 3.398 10.000 10.896) 15.175 18.352 ( -6.583 5.725 16.015) 18.237 19.196 ( 5.929 -14.288 -14.087) 20.923 19.305 ( -5.099 -16.353 -10.590) 20.139 21.963 ( 5.786 -2.133 1.130) 6.270 22.042 ( 1.089 -2.591 -2.174) 3.553 22.147 ( -1.902 -2.531 2.082) 3.789 22.217 ( -5.538 -2.280 -0.856) 6.050 23.854 ( -0.220 -2.465 0.313) 2.494 23.859 ( -0.666 -0.627 0.168) 0.930 24.105 ( 1.975 -8.987 0.006) 9.202 24.109 ( 1.545 -10.853 -0.124) 10.963 ======================= Grid point 105 (43/72) ======================= q-point: ( 0.00 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.511 ( 0.000 1.069 0.094) 1.073 3.574 ( 0.000 -0.521 -4.374) 4.405 3.837 ( 0.000 13.376 -4.076) 13.983 3.928 ( 0.000 11.589 -7.547) 13.830 4.010 ( 0.000 5.806 7.424) 9.425 4.018 ( 0.000 3.095 4.630) 5.570 4.202 ( 0.000 5.080 -1.386) 5.266 4.220 ( 0.000 3.153 -4.005) 5.098 4.422 ( 0.000 12.230 1.288) 12.298 4.426 ( 0.000 8.134 -0.521) 8.151 4.641 ( 0.000 6.494 6.374) 9.099 4.661 ( 0.000 5.893 2.001) 6.223 4.768 ( 0.000 2.089 1.320) 2.471 4.798 ( 0.000 1.229 2.895) 3.145 4.861 ( 0.000 -3.123 12.964) 13.335 5.010 ( 0.000 -7.859 10.335) 12.984 5.136 ( 0.000 -1.460 3.490) 3.784 5.291 ( 0.000 -6.362 0.290) 6.368 5.556 ( 0.000 5.923 -9.263) 10.994 5.842 ( 0.000 -4.923 -15.026) 15.812 5.996 ( 0.000 3.322 1.244) 3.548 6.064 ( 0.000 3.585 0.536) 3.625 6.143 ( 0.000 9.594 7.053) 11.908 6.248 ( 0.000 3.195 7.499) 8.151 6.838 ( 0.000 3.216 -3.580) 4.812 6.886 ( 0.000 1.983 -9.033) 9.248 6.895 ( 0.000 7.219 -2.009) 7.493 7.028 ( 0.000 -0.207 -3.176) 3.183 7.140 ( 0.000 11.593 5.111) 12.670 7.226 ( 0.000 0.390 -0.591) 0.708 7.254 ( 0.000 0.251 0.076) 0.263 7.493 ( 0.000 9.775 1.312) 9.863 7.573 ( 0.000 -2.562 -4.221) 4.938 7.618 ( 0.000 2.287 -7.293) 7.643 7.715 ( 0.000 2.925 11.554) 11.919 7.864 ( 0.000 4.713 5.459) 7.212 8.235 ( 0.000 4.267 -6.390) 7.683 8.264 ( 0.000 1.054 0.036) 1.054 8.400 ( 0.000 -8.257 -9.653) 12.702 8.496 ( 0.000 -6.604 -1.695) 6.818 8.784 ( 0.000 3.201 -1.408) 3.497 8.922 ( 0.000 4.988 0.711) 5.039 9.241 ( 0.000 -0.308 -3.082) 3.097 9.241 ( 0.000 1.002 -3.878) 4.006 9.386 ( 0.000 -1.561 0.623) 1.681 9.503 ( 0.000 8.227 3.846) 9.082 9.532 ( 0.000 2.232 2.608) 3.433 9.604 ( 0.000 -5.275 -1.985) 5.636 9.819 ( 0.000 -1.048 -4.290) 4.416 9.931 ( 0.000 -4.496 -6.538) 7.935 10.000 ( 0.000 0.263 -9.447) 9.451 10.089 ( 0.000 -3.553 -8.165) 8.904 10.535 ( 0.000 4.776 5.236) 7.087 10.576 ( 0.000 0.423 8.432) 8.443 10.763 ( 0.000 9.415 14.296) 17.118 10.847 ( 0.000 8.082 -1.214) 8.173 10.933 ( 0.000 5.629 5.290) 7.725 11.084 ( 0.000 1.309 6.856) 6.980 11.220 ( 0.000 1.097 6.359) 6.453 11.260 ( 0.000 -1.466 -1.275) 1.943 11.596 ( 0.000 8.627 -2.688) 9.036 11.905 ( 0.000 -11.734 -14.869) 18.941 12.115 ( 0.000 12.283 10.346) 16.060 12.241 ( 0.000 16.969 -2.574) 17.163 12.399 ( 0.000 6.081 -1.300) 6.218 12.424 ( 0.000 7.944 -5.564) 9.698 12.624 ( 0.000 -2.367 6.410) 6.833 12.747 ( 0.000 1.366 -1.304) 1.888 13.066 ( 0.000 6.119 10.538) 12.186 13.110 ( 0.000 -6.346 7.996) 10.208 13.145 ( 0.000 -1.680 5.770) 6.009 13.423 ( 0.000 -8.480 2.016) 8.717 14.601 ( 0.000 -1.164 4.478) 4.627 14.685 ( 0.000 -5.361 9.337) 10.766 14.886 ( 0.000 0.856 7.293) 7.343 15.110 ( 0.000 -9.138 1.805) 9.315 15.403 ( 0.000 10.395 -30.523) 32.245 15.617 ( 0.000 0.027 -25.493) 25.493 15.692 ( 0.000 2.702 -22.249) 22.413 15.698 ( 0.000 1.113 -22.834) 22.861 16.887 ( 0.000 1.997 24.608) 24.689 16.931 ( 0.000 2.132 18.904) 19.024 17.061 ( 0.000 7.134 14.378) 16.051 17.387 ( 0.000 -7.737 4.740) 9.074 18.439 ( 0.000 11.882 0.856) 11.912 18.596 ( 0.000 5.460 9.053) 10.572 18.832 ( 0.000 -8.991 -13.098) 15.887 19.070 ( 0.000 -16.390 -4.654) 17.038 21.794 ( 0.000 -0.972 0.837) 1.283 21.854 ( 0.000 -3.686 -1.333) 3.920 22.207 ( 0.000 -3.788 1.202) 3.974 22.267 ( 0.000 -5.689 -0.965) 5.770 23.798 ( 0.000 -3.033 0.696) 3.111 23.836 ( 0.000 -5.238 -0.691) 5.284 23.928 ( 0.000 -0.522 0.636) 0.823 23.950 ( 0.000 -1.282 -0.212) 1.300 ======================= Grid point 106 (44/72) ======================= q-point: ( 0.20 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.494 ( 0.714 5.428 1.113) 5.587 3.649 ( 5.274 0.477 -6.086) 8.067 3.853 ( -1.423 13.931 -2.721) 14.265 3.882 ( -3.940 10.358 0.990) 11.127 3.965 ( 2.864 10.353 -5.131) 11.904 4.026 ( -5.456 1.445 0.787) 5.699 4.153 ( 1.130 7.773 2.988) 8.403 4.343 ( 6.484 1.639 -0.555) 6.711 4.377 ( -0.863 6.276 -0.770) 6.381 4.421 ( -2.971 6.608 -3.293) 7.958 4.585 ( -3.368 7.162 5.762) 9.790 4.693 ( -0.952 1.480 1.121) 2.087 4.743 ( 0.136 2.131 4.856) 5.305 4.819 ( 2.773 1.774 2.976) 4.438 4.927 ( 2.678 -4.730 8.501) 10.090 5.008 ( -0.093 -7.147 10.300) 12.537 5.143 ( 2.327 -0.318 5.613) 6.085 5.265 ( -1.212 -2.652 1.108) 3.119 5.484 ( -5.861 6.695 -3.359) 9.511 5.820 ( -4.146 -7.732 -7.288) 11.405 6.039 ( 4.939 5.030 -0.359) 7.059 6.113 ( 4.710 2.746 -0.385) 5.466 6.199 ( 4.014 5.848 4.323) 8.307 6.295 ( 4.530 2.014 3.229) 5.916 6.718 ( -10.334 6.877 2.148) 12.597 6.765 ( -6.199 6.591 -4.523) 10.116 6.876 ( -5.944 2.687 -6.995) 9.564 6.945 ( -2.517 0.348 -7.872) 8.272 7.146 ( -0.119 10.038 5.567) 11.479 7.376 ( 8.979 4.791 0.027) 10.177 7.426 ( 7.403 4.438 0.703) 8.660 7.473 ( 4.125 3.586 -1.022) 5.560 7.572 ( -1.914 4.391 -6.419) 8.009 7.585 ( 2.063 -4.455 -2.011) 5.305 7.753 ( 4.190 3.296 9.940) 11.280 7.925 ( 4.581 3.707 1.870) 6.182 8.171 ( -5.042 4.374 -1.649) 6.875 8.268 ( -0.680 1.061 1.020) 1.621 8.400 ( -0.319 -9.163 -9.767) 13.396 8.541 ( 0.544 -13.225 -7.291) 15.112 8.842 ( 7.319 9.207 1.849) 11.906 8.954 ( 2.919 4.389 -1.453) 5.468 9.188 ( -4.262 -1.280 -2.238) 4.981 9.236 ( -1.110 1.478 -2.408) 3.036 9.437 ( 4.570 1.162 -0.035) 4.715 9.524 ( 4.359 5.014 0.877) 6.701 9.562 ( -0.379 1.685 -4.151) 4.496 9.676 ( 8.980 -1.096 1.708) 9.206 9.813 ( -0.124 0.337 -0.512) 0.626 9.949 ( 1.965 -6.044 -8.589) 10.684 9.987 ( -1.316 0.623 -7.188) 7.333 10.077 ( -0.636 -2.253 -6.023) 6.462 10.413 ( -11.221 3.336 5.090) 12.766 10.454 ( -9.574 0.737 7.844) 12.398 10.607 ( -13.209 8.214 6.403) 16.822 10.836 ( -10.836 0.066 -3.556) 11.405 10.920 ( 3.646 9.627 5.247) 11.554 11.058 ( 0.098 4.198 15.221) 15.789 11.254 ( 3.164 -3.619 2.137) 5.261 11.351 ( 5.449 1.037 5.895) 8.095 11.634 ( 4.723 10.069 -4.854) 12.135 11.857 ( -3.889 -6.419 -14.560) 16.381 11.998 ( -7.729 12.515 6.084) 15.918 12.262 ( -8.305 9.846 -6.096) 14.251 12.350 ( 5.945 7.676 5.046) 10.942 12.526 ( 5.273 6.724 -1.593) 8.692 12.590 ( -2.403 1.982 6.459) 7.170 12.726 ( -1.836 1.908 -0.901) 2.797 13.075 ( 0.842 5.967 10.125) 11.782 13.105 ( 0.405 -1.992 7.176) 7.459 13.235 ( 6.578 -6.438 4.672) 10.322 13.424 ( -0.013 -8.820 1.802) 9.002 14.661 ( 5.341 -2.041 4.656) 7.374 14.713 ( 3.060 -4.893 8.253) 10.071 14.869 ( -1.796 0.482 7.337) 7.569 15.073 ( -3.666 -8.630 1.515) 9.498 15.441 ( 3.620 9.116 -29.413) 31.005 15.624 ( 0.628 0.409 -25.116) 25.127 15.674 ( -1.742 2.875 -22.986) 23.231 15.692 ( -0.694 1.028 -23.205) 23.238 16.914 ( 2.603 1.874 22.812) 23.037 16.943 ( 1.304 2.099 18.975) 19.135 17.046 ( -1.418 6.322 14.784) 16.141 17.320 ( -6.424 -6.612 7.641) 11.974 18.447 ( 0.858 11.888 1.233) 11.983 18.566 ( -2.552 7.495 7.022) 10.583 18.866 ( 3.043 -10.348 -11.667) 15.889 19.052 ( -1.800 -15.925 -5.609) 16.979 21.828 ( 3.452 -1.099 0.905) 3.734 21.892 ( 3.725 -3.860 -1.430) 5.552 22.163 ( -4.182 -3.568 1.352) 5.661 22.227 ( -3.954 -5.681 -0.958) 6.987 23.803 ( 0.784 -1.946 0.810) 2.249 23.855 ( 1.125 -3.473 -1.326) 3.884 23.922 ( 0.191 -2.204 1.356) 2.595 23.964 ( 0.790 -2.982 -0.414) 3.112 ======================= Grid point 107 (45/72) ======================= q-point: ( 0.40 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.561 ( 5.984 11.230 1.225) 12.783 3.705 ( -7.708 13.643 0.826) 15.692 3.760 ( 5.169 3.312 -7.136) 9.413 3.877 ( -5.570 6.292 -4.589) 9.575 3.948 ( 2.766 10.839 -0.468) 11.196 4.006 ( -1.111 12.413 -1.427) 12.544 4.182 ( 3.773 7.663 0.549) 8.559 4.304 ( -7.331 8.071 -3.657) 11.500 4.414 ( 3.715 0.391 -0.458) 3.764 4.460 ( 2.271 -0.611 0.075) 2.353 4.542 ( 1.122 0.054 3.285) 3.472 4.633 ( -4.810 -2.798 1.265) 5.706 4.771 ( 2.975 1.489 5.230) 6.198 4.848 ( -3.229 0.363 5.136) 6.077 4.931 ( 2.746 -3.962 0.924) 4.909 5.001 ( -2.623 -6.874 2.916) 7.914 5.210 ( 4.733 2.764 9.966) 11.373 5.311 ( -1.741 6.808 5.586) 8.977 5.421 ( 7.088 -1.324 5.828) 9.271 5.656 ( -12.095 -6.504 3.226) 14.106 6.177 ( 8.214 3.736 -3.064) 9.529 6.218 ( 5.017 1.825 0.559) 5.367 6.257 ( 1.324 2.320 0.871) 2.809 6.331 ( -3.743 -1.315 -1.671) 4.305 6.592 ( -0.889 10.315 -0.160) 10.355 6.647 ( -5.529 9.310 -0.914) 10.866 6.784 ( -0.274 2.377 -5.309) 5.824 6.864 ( -5.991 1.990 -5.598) 8.438 7.193 ( 4.998 9.422 2.218) 10.894 7.314 ( -6.598 9.352 -0.579) 11.460 7.514 ( 0.040 -0.543 -6.163) 6.187 7.522 ( -1.169 0.415 -6.868) 6.979 7.685 ( 13.455 5.516 3.126) 14.874 7.786 ( 7.920 2.266 2.325) 8.559 7.850 ( 5.774 2.489 6.400) 8.972 7.974 ( -1.932 3.909 -0.062) 4.361 8.082 ( -1.347 2.437 0.631) 2.855 8.190 ( -7.362 2.905 2.400) 8.271 8.403 ( 2.187 -13.055 -8.133) 15.536 8.488 ( -5.003 -14.396 -7.854) 17.145 9.014 ( 4.228 3.467 -1.777) 5.749 9.027 ( 8.569 5.567 -2.772) 10.587 9.094 ( -4.706 1.150 -2.039) 5.256 9.178 ( -5.576 1.240 -2.503) 6.236 9.544 ( 5.222 4.064 -1.722) 6.837 9.591 ( 1.032 3.721 -1.719) 4.227 9.647 ( 8.424 2.772 -2.956) 9.348 9.789 ( -2.429 0.833 -5.777) 6.322 9.879 ( 9.486 2.519 3.870) 10.550 9.974 ( 1.132 3.823 -0.398) 4.008 10.000 ( 1.989 -2.899 -4.566) 5.763 10.082 ( -2.911 -0.832 0.191) 3.034 10.208 ( -4.328 -0.266 -0.059) 4.337 10.311 ( -9.941 0.886 1.990) 10.177 10.317 ( -3.844 2.572 2.979) 5.502 10.545 ( -17.024 -2.776 -3.476) 17.596 10.989 ( 3.386 7.485 9.459) 12.529 11.045 ( -2.019 5.991 14.036) 15.394 11.334 ( 4.511 -3.900 2.924) 6.642 11.396 ( -0.934 -1.602 6.839) 7.086 11.768 ( 5.298 7.655 -5.471) 10.798 11.808 ( -0.206 6.734 -10.376) 12.372 11.890 ( 0.076 8.904 0.991) 8.959 12.059 ( -11.570 6.486 -3.935) 13.836 12.461 ( 4.857 8.033 5.851) 11.062 12.535 ( -2.827 6.225 6.566) 9.479 12.622 ( 3.837 4.557 0.022) 5.958 12.684 ( -2.607 3.179 -0.032) 4.111 13.095 ( 1.118 4.275 8.593) 9.662 13.110 ( -0.193 1.292 7.307) 7.422 13.351 ( 4.731 -8.625 2.648) 10.188 13.411 ( -1.603 -9.200 1.728) 9.497 14.751 ( 3.728 -1.868 7.734) 8.787 14.813 ( -0.056 -1.380 6.063) 6.219 14.833 ( 4.690 -4.845 4.803) 8.279 14.972 ( -6.559 -7.549 1.933) 10.186 15.528 ( 4.879 6.619 -27.405) 28.612 15.613 ( -3.369 4.277 -24.839) 25.429 15.650 ( 0.779 0.624 -24.659) 24.679 15.673 ( -1.206 0.792 -23.830) 23.874 16.961 ( 1.983 3.512 17.063) 17.533 16.991 ( 0.684 3.448 17.053) 17.412 17.031 ( 3.305 0.883 18.509) 18.823 17.167 ( -8.431 -3.692 14.136) 16.869 18.472 ( 1.755 11.609 2.371) 11.978 18.514 ( -2.517 10.293 4.318) 11.443 18.934 ( 3.688 -12.567 -9.805) 16.360 19.002 ( -3.196 -14.544 -7.715) 16.771 21.920 ( 5.618 -1.395 0.796) 5.844 21.980 ( 3.703 -3.195 -1.701) 5.179 22.067 ( -4.004 -4.084 1.724) 5.974 22.126 ( -5.882 -5.647 -0.753) 8.188 23.827 ( 1.513 -0.245 0.530) 1.622 23.854 ( -1.043 0.290 -0.443) 1.170 23.946 ( 1.714 -6.135 0.582) 6.396 23.969 ( -0.437 -5.361 -0.246) 5.384 ======================= Grid point 110 (46/72) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.539 ( 0.000 -1.990 -0.284) 2.010 3.539 ( 0.000 1.990 -0.284) 2.011 3.986 ( 0.000 -2.367 -1.255) 2.679 3.986 ( 0.000 2.367 -1.255) 2.679 4.072 ( 0.000 -1.126 0.175) 1.139 4.072 ( 0.000 1.126 0.175) 1.139 4.244 ( 0.000 -0.223 -6.256) 6.260 4.244 ( 0.000 0.223 -6.256) 6.260 4.635 ( 0.000 -1.028 4.152) 4.278 4.635 ( 0.000 1.028 4.152) 4.278 4.650 ( 0.000 -1.984 0.549) 2.059 4.650 ( 0.000 1.984 0.549) 2.059 4.776 ( 0.000 -1.780 4.335) 4.686 4.776 ( 0.000 1.780 4.335) 4.686 4.868 ( 0.000 -2.969 12.177) 12.534 4.868 ( 0.000 2.969 12.177) 12.534 5.173 ( 0.000 -4.898 2.188) 5.365 5.173 ( 0.000 4.899 2.188) 5.365 5.694 ( 0.000 -8.234 -10.682) 13.487 5.694 ( 0.000 8.234 -10.682) 13.487 6.076 ( 0.000 -2.686 -0.455) 2.724 6.076 ( 0.000 2.686 -0.455) 2.724 6.257 ( 0.000 -2.585 5.015) 5.642 6.257 ( 0.000 2.585 5.015) 5.642 6.897 ( 0.000 -1.591 -6.059) 6.265 6.897 ( 0.000 1.591 -6.059) 6.265 6.993 ( 0.000 -3.324 -1.134) 3.513 6.993 ( 0.000 3.324 -1.134) 3.513 7.243 ( 0.000 -0.722 -1.344) 1.526 7.243 ( 0.000 0.722 -1.344) 1.526 7.388 ( 0.000 -12.503 3.578) 13.005 7.388 ( 0.000 12.503 3.578) 13.005 7.635 ( 0.000 -3.181 -4.925) 5.863 7.635 ( 0.000 3.181 -4.925) 5.863 7.831 ( 0.000 -7.288 8.400) 11.121 7.831 ( 0.000 7.288 8.400) 11.121 8.262 ( 0.000 -2.681 -5.450) 6.073 8.262 ( 0.000 2.681 -5.450) 6.074 8.343 ( 0.000 -5.768 -3.318) 6.654 8.343 ( 0.000 5.768 -3.318) 6.654 8.911 ( 0.000 -5.497 5.239) 7.593 8.911 ( 0.000 5.497 5.239) 7.593 9.239 ( 0.000 -1.541 -2.240) 2.719 9.239 ( 0.000 1.541 -2.240) 2.719 9.469 ( 0.000 -6.640 -6.582) 9.350 9.469 ( 0.000 6.640 -6.582) 9.350 9.598 ( 0.000 -1.667 -2.041) 2.635 9.598 ( 0.000 1.668 -2.041) 2.636 9.830 ( 0.000 -4.610 -3.854) 6.009 9.830 ( 0.000 4.611 -3.854) 6.009 10.028 ( 0.000 -2.347 -9.739) 10.017 10.028 ( 0.000 2.347 -9.739) 10.017 10.583 ( 0.000 -0.380 10.829) 10.835 10.583 ( 0.000 0.380 10.829) 10.835 10.921 ( 0.000 -2.479 2.361) 3.423 10.921 ( 0.000 2.479 2.361) 3.423 11.064 ( 0.000 -7.052 -0.301) 7.058 11.064 ( 0.000 7.052 -0.301) 7.059 11.170 ( 0.000 -10.307 14.805) 18.039 11.170 ( 0.000 10.307 14.805) 18.039 11.748 ( 0.000 -6.388 -10.709) 12.469 11.748 ( 0.000 6.388 -10.709) 12.469 12.310 ( 0.000 -5.847 8.231) 10.096 12.310 ( 0.000 5.847 8.231) 10.096 12.480 ( 0.000 -1.002 -2.607) 2.793 12.480 ( 0.000 1.002 -2.607) 2.793 12.711 ( 0.000 -6.181 -1.633) 6.393 12.711 ( 0.000 6.181 -1.633) 6.393 13.058 ( 0.000 -0.945 6.369) 6.439 13.058 ( 0.000 0.945 6.369) 6.439 13.245 ( 0.000 -8.565 6.701) 10.875 13.245 ( 0.000 8.565 6.701) 10.875 14.608 ( 0.000 -2.065 6.968) 7.267 14.608 ( 0.000 2.065 6.968) 7.267 14.958 ( 0.000 -6.134 4.824) 7.804 14.958 ( 0.000 6.134 4.824) 7.804 15.567 ( 0.000 -5.585 -28.675) 29.214 15.567 ( 0.000 5.585 -28.675) 29.214 15.720 ( 0.000 -0.172 -23.849) 23.850 15.720 ( 0.000 0.172 -23.849) 23.850 16.930 ( 0.000 -1.741 21.530) 21.600 16.930 ( 0.000 1.742 21.530) 21.600 17.218 ( 0.000 -8.782 13.126) 15.793 17.218 ( 0.000 8.782 13.126) 15.793 18.651 ( 0.000 -9.887 -5.432) 11.281 18.651 ( 0.000 9.887 -5.432) 11.281 18.783 ( 0.000 -12.747 -1.211) 12.804 18.783 ( 0.000 12.747 -1.211) 12.804 21.800 ( 0.000 -1.636 0.131) 1.641 21.800 ( 0.000 1.636 0.131) 1.641 22.183 ( 0.000 -1.866 -0.179) 1.875 22.183 ( 0.000 1.866 -0.179) 1.875 23.776 ( 0.000 -0.902 0.091) 0.907 23.776 ( 0.000 0.902 0.091) 0.907 23.929 ( 0.000 -0.674 0.126) 0.685 23.929 ( 0.000 0.674 0.126) 0.685 ======================= Grid point 112 (47/72) ======================= q-point: ( 0.20 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.597 ( 5.592 -4.774 -1.182) 7.447 3.597 ( 5.592 4.774 -1.182) 7.447 3.988 ( -2.869 -1.985 2.008) 4.025 3.988 ( -2.869 1.985 2.008) 4.025 4.047 ( 1.459 -2.674 -4.709) 5.609 4.047 ( 1.459 2.674 -4.709) 5.609 4.276 ( 2.089 -5.500 -4.562) 7.445 4.276 ( 2.089 5.500 -4.562) 7.445 4.564 ( -5.198 -8.770 2.904) 10.600 4.564 ( -5.198 8.770 2.904) 10.600 4.606 ( -4.433 -8.954 1.247) 10.069 4.606 ( -4.433 8.954 1.247) 10.069 4.806 ( 1.607 -4.050 4.400) 6.192 4.806 ( 1.607 4.050 4.400) 6.193 4.896 ( 1.849 -2.079 10.063) 10.441 4.896 ( 1.849 2.079 10.063) 10.441 5.186 ( 2.661 -4.404 3.909) 6.462 5.186 ( 2.661 4.404 3.909) 6.462 5.645 ( -5.110 -9.343 -5.581) 12.023 5.645 ( -5.110 9.343 -5.581) 12.023 6.119 ( 4.245 -2.405 -1.554) 5.120 6.119 ( 4.245 2.405 -1.554) 5.120 6.283 ( 2.286 -2.806 3.419) 4.979 6.283 ( 2.286 2.806 3.419) 4.979 6.842 ( -6.496 -2.455 -3.567) 7.808 6.842 ( -6.497 2.455 -3.567) 7.808 6.901 ( -3.845 -3.160 -4.200) 6.512 6.901 ( -3.845 3.161 -4.200) 6.512 7.363 ( 0.435 -10.086 2.686) 10.446 7.363 ( 0.435 10.086 2.686) 10.446 7.454 ( 13.320 -3.925 0.900) 13.915 7.454 ( 13.320 3.925 0.900) 13.915 7.591 ( -3.035 -3.217 -4.245) 6.130 7.591 ( -3.035 3.217 -4.245) 6.130 7.884 ( 4.682 -8.368 6.181) 11.408 7.884 ( 4.682 8.368 6.181) 11.408 8.221 ( -3.139 -2.637 -5.808) 7.109 8.221 ( -3.139 2.637 -5.808) 7.109 8.346 ( -1.555 -4.707 -1.451) 5.165 8.346 ( -1.555 4.707 -1.451) 5.166 8.972 ( 5.188 -3.087 1.773) 6.292 8.972 ( 5.188 3.087 1.773) 6.292 9.212 ( -2.487 -2.932 -2.454) 4.561 9.212 ( -2.487 2.932 -2.454) 4.561 9.512 ( 4.762 -4.433 -6.228) 9.006 9.512 ( 4.762 4.433 -6.228) 9.006 9.652 ( 4.818 -5.008 -2.276) 7.312 9.652 ( 4.818 5.008 -2.276) 7.312 9.836 ( 1.407 -4.898 -2.795) 5.812 9.836 ( 1.407 4.898 -2.795) 5.812 10.021 ( -0.188 -2.795 -8.300) 8.760 10.021 ( -0.188 2.795 -8.300) 8.760 10.454 ( -11.441 -1.043 10.463) 15.539 10.454 ( -11.441 1.043 10.463) 15.539 10.778 ( -13.224 -6.549 -0.071) 14.757 10.778 ( -13.224 6.549 -0.071) 14.757 11.094 ( 2.844 -8.662 2.153) 9.367 11.094 ( 2.844 8.662 2.153) 9.368 11.220 ( 2.642 -11.739 12.917) 17.653 11.220 ( 2.642 11.739 12.917) 17.653 11.777 ( 3.256 -4.267 -8.811) 10.317 11.777 ( 3.256 4.267 -8.811) 10.317 12.201 ( -8.437 -8.227 4.865) 12.749 12.201 ( -8.437 8.228 4.865) 12.749 12.544 ( 4.317 -5.227 0.960) 6.847 12.544 ( 4.317 5.227 0.960) 6.847 12.705 ( -0.722 -5.461 -0.982) 5.595 12.705 ( -0.722 5.461 -0.982) 5.595 13.103 ( 3.933 -2.777 5.846) 7.574 13.103 ( 3.933 2.777 5.846) 7.574 13.243 ( -0.304 -8.217 6.395) 10.417 13.243 ( -0.304 8.217 6.395) 10.417 14.650 ( 4.054 -1.202 6.470) 7.729 14.650 ( 4.054 1.202 6.470) 7.729 14.931 ( -2.726 -5.619 4.723) 7.830 14.931 ( -2.726 5.619 4.723) 7.830 15.584 ( 1.721 -4.805 -28.096) 28.556 15.585 ( 1.721 4.805 -28.096) 28.556 15.709 ( -1.197 -0.222 -24.270) 24.300 15.709 ( -1.197 0.222 -24.270) 24.300 16.949 ( 1.897 -1.222 20.887) 21.008 16.949 ( 1.897 1.222 20.887) 21.008 17.179 ( -3.664 -7.279 14.080) 16.268 17.179 ( -3.664 7.279 14.080) 16.268 18.664 ( 1.353 -10.334 -5.092) 11.600 18.664 ( 1.353 10.334 -5.092) 11.600 18.771 ( -1.185 -12.616 -1.713) 12.787 18.771 ( -1.185 12.616 -1.713) 12.787 21.834 ( 3.430 -1.770 0.112) 3.862 21.834 ( 3.430 1.770 0.112) 3.862 22.143 ( -3.941 -1.928 -0.139) 4.390 22.143 ( -3.941 1.928 -0.139) 4.390 23.798 ( 2.100 -1.500 0.093) 2.583 23.798 ( 2.100 1.501 0.093) 2.583 23.921 ( -0.883 -1.291 0.122) 1.569 23.921 ( -0.883 1.291 0.122) 1.569 ======================= Grid point 114 (48/72) ======================= q-point: ( 0.40 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.734 ( 7.819 -5.686 -2.722) 10.043 3.734 ( 7.819 5.686 -2.722) 10.043 3.880 ( -6.920 -4.451 -1.999) 8.467 3.880 ( -6.920 4.451 -1.999) 8.468 4.143 ( 6.949 -6.504 -1.495) 9.635 4.143 ( 6.949 6.504 -1.495) 9.635 4.270 ( -4.181 -8.929 -1.973) 10.055 4.270 ( -4.181 8.929 -1.973) 10.055 4.483 ( -1.313 -3.442 1.152) 3.860 4.483 ( -1.313 3.442 1.152) 3.860 4.518 ( -3.834 -6.154 0.713) 7.286 4.518 ( -3.834 6.154 0.713) 7.286 4.840 ( 2.219 -5.076 4.868) 7.374 4.840 ( 2.219 5.076 4.868) 7.374 4.889 ( -2.300 -4.160 5.452) 7.233 4.889 ( -2.300 4.160 5.452) 7.233 5.311 ( 9.379 -5.983 6.205) 12.738 5.311 ( 9.379 5.983 6.205) 12.738 5.501 ( -9.264 -8.698 2.348) 12.922 5.501 ( -9.264 8.698 2.348) 12.922 6.223 ( 5.776 -1.220 -1.762) 6.160 6.223 ( 5.776 1.220 -1.762) 6.160 6.305 ( -1.476 -1.993 0.450) 2.521 6.305 ( -1.476 1.993 0.450) 2.521 6.757 ( -0.346 -5.236 -3.112) 6.100 6.757 ( -0.346 5.236 -3.112) 6.100 6.818 ( -4.917 -6.377 -2.687) 8.489 6.818 ( -4.917 6.377 -2.687) 8.489 7.386 ( 2.987 -9.534 0.127) 9.992 7.386 ( 2.987 9.534 0.127) 9.992 7.472 ( -5.239 -6.104 -3.363) 8.719 7.472 ( -5.239 6.104 -3.363) 8.719 7.787 ( 14.999 -3.009 2.341) 15.476 7.787 ( 14.999 3.009 2.341) 15.476 7.957 ( -0.177 -6.767 2.635) 7.264 7.957 ( -0.177 6.767 2.635) 7.264 8.168 ( -0.553 -7.928 -3.924) 8.863 8.168 ( -0.553 7.928 -3.924) 8.864 8.254 ( -7.068 -6.302 -0.802) 9.503 8.254 ( -7.068 6.302 -0.802) 9.503 9.069 ( 4.487 -0.906 -2.878) 5.407 9.069 ( 4.488 0.907 -2.877) 5.407 9.150 ( -3.819 -3.713 -3.581) 6.418 9.150 ( -3.819 3.714 -3.581) 6.418 9.640 ( 6.861 -3.724 -5.149) 9.352 9.640 ( 6.861 3.724 -5.149) 9.352 9.716 ( -0.121 -6.652 -5.435) 8.591 9.716 ( -0.121 6.652 -5.435) 8.591 9.928 ( 7.749 -2.960 0.570) 8.315 9.928 ( 7.749 2.960 0.570) 8.315 10.045 ( 0.621 -2.760 -1.070) 3.025 10.045 ( 0.621 2.760 -1.070) 3.025 10.248 ( -3.622 -3.137 5.272) 7.124 10.248 ( -3.622 3.137 5.273) 7.124 10.459 ( -17.722 -6.217 -1.306) 18.826 10.459 ( -17.722 6.217 -1.306) 18.826 11.163 ( 3.877 -10.318 4.715) 11.988 11.163 ( 3.877 10.318 4.715) 11.989 11.225 ( -1.983 -11.759 8.791) 14.815 11.225 ( -1.983 11.759 8.791) 14.815 11.879 ( 6.929 -2.846 -3.412) 8.231 11.879 ( 6.929 2.846 -3.412) 8.231 12.032 ( -8.538 -6.599 1.588) 10.907 12.032 ( -8.538 6.599 1.588) 10.907 12.621 ( 3.533 -5.010 1.998) 6.448 12.621 ( 3.533 5.010 1.998) 6.448 12.678 ( -2.192 -4.873 0.722) 5.392 12.678 ( -2.192 4.873 0.722) 5.392 13.180 ( 3.437 -5.145 5.403) 8.214 13.180 ( 3.436 5.145 5.403) 8.214 13.227 ( -1.471 -7.042 5.732) 9.199 13.227 ( -1.471 7.043 5.732) 9.199 14.750 ( 5.702 -2.031 5.494) 8.175 14.750 ( 5.702 2.031 5.494) 8.175 14.855 ( -4.879 -4.172 4.824) 8.030 14.855 ( -4.879 4.172 4.824) 8.030 15.628 ( 2.519 -2.997 -26.800) 27.084 15.628 ( 2.519 2.997 -26.800) 27.084 15.675 ( -2.207 -1.223 -25.380) 25.505 15.675 ( -2.207 1.223 -25.380) 25.505 17.004 ( 3.819 -1.000 19.039) 19.444 17.004 ( 3.819 1.001 19.039) 19.444 17.092 ( -4.898 -3.954 16.434) 17.598 17.092 ( -4.898 3.954 16.434) 17.598 18.699 ( 2.064 -11.274 -4.167) 12.196 18.699 ( 2.064 11.274 -4.167) 12.196 18.739 ( -1.973 -12.130 -2.897) 12.626 18.739 ( -1.973 12.130 -2.897) 12.626 21.926 ( 5.684 -1.970 0.051) 6.016 21.926 ( 5.684 1.970 0.051) 6.016 22.043 ( -5.985 -2.016 -0.045) 6.316 22.043 ( -5.985 2.016 -0.045) 6.316 23.848 ( 2.683 -2.065 0.102) 3.387 23.848 ( 2.683 2.065 0.102) 3.387 23.894 ( -1.948 -1.967 0.113) 2.771 23.894 ( -1.948 1.967 0.113) 2.771 ======================= Grid point 150 (49/72) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( 0.000 0.000 -33.172) 33.172 1.503 ( 0.000 0.000 33.172) 33.172 1.879 ( 0.000 0.000 -36.641) 36.641 1.879 ( 0.000 0.000 36.641) 36.641 2.741 ( 0.000 0.000 -30.249) 30.249 2.741 ( 0.000 0.000 30.249) 30.249 3.253 ( 0.000 0.000 -22.136) 22.136 3.253 ( 0.000 0.000 22.136) 22.136 3.406 ( 0.000 0.000 -11.042) 11.042 3.406 ( 0.000 0.000 11.042) 11.042 3.677 ( 0.000 0.000 -13.623) 13.623 3.677 ( 0.000 0.000 13.623) 13.623 3.929 ( 0.000 0.000 -6.978) 6.978 3.929 ( 0.000 0.000 6.978) 6.978 4.205 ( 0.000 0.000 -1.572) 1.572 4.205 ( 0.000 0.000 1.572) 1.572 4.255 ( 0.000 0.000 -2.361) 2.361 4.255 ( 0.000 0.000 2.361) 2.361 4.674 ( 0.000 0.000 -14.214) 14.214 4.674 ( 0.000 0.000 14.214) 14.214 4.950 ( 0.000 0.000 -5.153) 5.153 4.950 ( 0.000 0.000 5.153) 5.153 5.611 ( 0.000 0.000 -2.849) 2.849 5.611 ( 0.000 0.000 2.849) 2.849 5.641 ( 0.000 0.000 -3.563) 3.563 5.641 ( 0.000 0.000 3.563) 3.563 6.046 ( 0.000 0.000 -7.962) 7.962 6.046 ( 0.000 0.000 7.962) 7.962 6.489 ( 0.000 0.000 -3.235) 3.235 6.489 ( 0.000 0.000 3.235) 3.235 7.127 ( 0.000 0.000 -5.599) 5.599 7.127 ( 0.000 0.000 5.599) 5.599 7.263 ( 0.000 0.000 -0.205) 0.205 7.263 ( 0.000 0.000 0.205) 0.205 7.419 ( 0.000 0.000 -1.810) 1.810 7.419 ( 0.000 0.000 1.810) 1.810 7.838 ( 0.000 0.000 -4.700) 4.700 7.838 ( 0.000 0.000 4.700) 4.700 8.043 ( 0.000 0.000 -1.187) 1.187 8.043 ( 0.000 0.000 1.187) 1.187 8.304 ( 0.000 0.000 -3.915) 3.915 8.304 ( 0.000 0.000 3.915) 3.915 8.640 ( 0.000 0.000 -2.046) 2.046 8.640 ( 0.000 0.000 2.046) 2.046 8.960 ( 0.000 0.000 -2.259) 2.259 8.960 ( 0.000 0.000 2.259) 2.259 9.156 ( 0.000 0.000 -1.968) 1.968 9.156 ( 0.000 0.000 1.968) 1.968 9.469 ( 0.000 0.000 -8.873) 8.873 9.469 ( 0.000 0.000 8.873) 8.873 9.585 ( 0.000 0.000 -5.869) 5.869 9.585 ( 0.000 0.000 5.869) 5.869 10.413 ( 0.000 0.000 -16.188) 16.188 10.413 ( 0.000 0.000 16.188) 16.188 10.439 ( 0.000 0.000 -8.229) 8.229 10.439 ( 0.000 0.000 8.229) 8.229 10.825 ( 0.000 0.000 -9.893) 9.893 10.825 ( 0.000 0.000 9.893) 9.893 11.191 ( 0.000 0.000 -15.184) 15.184 11.191 ( 0.000 0.000 15.184) 15.184 11.368 ( 0.000 0.000 -6.170) 6.170 11.368 ( 0.000 0.000 6.170) 6.170 11.820 ( 0.000 0.000 -6.715) 6.715 11.820 ( 0.000 0.000 6.715) 6.715 12.546 ( 0.000 0.000 -25.437) 25.437 12.546 ( 0.000 0.000 25.437) 25.437 13.321 ( 0.000 0.000 -4.157) 4.157 13.321 ( 0.000 0.000 4.157) 4.157 13.411 ( 0.000 0.000 -17.404) 17.404 13.411 ( 0.000 0.000 17.404) 17.404 13.458 ( 0.000 0.000 -16.577) 16.577 13.458 ( 0.000 0.000 16.577) 16.577 14.158 ( 0.000 0.000 -3.499) 3.499 14.158 ( 0.000 0.000 3.499) 3.499 14.813 ( 0.000 0.000 -5.902) 5.902 14.813 ( 0.000 0.000 5.902) 5.902 15.247 ( 0.000 0.000 -2.006) 2.006 15.247 ( 0.000 0.000 2.006) 2.006 15.766 ( 0.000 0.000 -15.501) 15.501 15.766 ( 0.000 0.000 15.501) 15.501 17.983 ( 0.000 0.000 -28.642) 28.642 17.983 ( 0.000 0.000 28.642) 28.642 18.387 ( 0.000 0.000 -2.545) 2.545 18.387 ( 0.000 0.000 2.545) 2.545 18.393 ( 0.000 0.000 -2.623) 2.623 18.393 ( 0.000 0.000 2.623) 2.623 19.901 ( 0.000 0.000 -3.225) 3.225 19.901 ( 0.000 0.000 3.225) 3.225 20.818 ( 0.000 0.000 -6.936) 6.936 20.818 ( 0.000 0.000 6.936) 6.936 21.594 ( 0.000 0.000 -5.420) 5.420 21.594 ( 0.000 0.000 5.420) 5.420 23.994 ( 0.000 0.000 -11.083) 11.083 23.994 ( 0.000 0.000 11.083) 11.083 25.415 ( 0.000 0.000 -13.640) 13.640 25.415 ( 0.000 0.000 13.640) 13.640 ======================= Grid point 152 (50/72) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.626 ( 10.936 0.000 -28.467) 30.495 1.626 ( 10.936 0.000 28.467) 30.495 1.988 ( 10.692 0.000 -33.160) 34.842 1.988 ( 10.692 0.000 33.160) 34.842 2.790 ( -1.673 0.000 -13.875) 13.975 2.790 ( -1.673 0.000 13.875) 13.975 3.199 ( -17.670 0.000 -14.272) 22.714 3.199 ( -17.670 0.000 14.272) 22.714 3.200 ( 2.863 0.000 -34.467) 34.586 3.200 ( 2.863 0.000 34.467) 34.586 3.601 ( -2.750 0.000 -11.101) 11.436 3.601 ( -2.750 0.000 11.101) 11.436 3.940 ( 0.501 0.000 -6.763) 6.781 3.940 ( 0.501 0.000 6.763) 6.781 4.305 ( 7.397 0.000 -1.863) 7.628 4.305 ( 7.397 0.000 1.863) 7.628 4.478 ( 9.772 0.000 -3.252) 10.299 4.478 ( 9.772 0.000 3.252) 10.299 4.685 ( 5.699 0.000 -12.991) 14.186 4.685 ( 5.699 0.000 12.991) 14.186 5.009 ( 6.036 0.000 -4.029) 7.257 5.009 ( 6.036 0.000 4.029) 7.257 5.445 ( -16.456 0.000 -7.573) 18.115 5.445 ( -16.456 0.000 7.573) 18.115 5.559 ( -5.243 0.000 -2.741) 5.916 5.559 ( -5.243 0.000 2.741) 5.916 6.030 ( -3.672 0.000 -12.569) 13.095 6.030 ( -3.672 0.000 12.569) 13.095 6.438 ( -2.515 0.000 -9.975) 10.287 6.438 ( -2.515 0.000 9.975) 10.287 6.969 ( -7.075 0.000 -7.140) 10.052 6.969 ( -7.075 0.000 7.140) 10.052 7.467 ( 13.559 0.000 -6.303) 14.952 7.467 ( 13.559 0.000 6.303) 14.952 7.590 ( 11.972 0.000 -1.736) 12.097 7.590 ( 11.972 0.000 1.736) 12.097 7.986 ( 6.486 0.000 -5.148) 8.281 7.986 ( 6.486 0.000 5.148) 8.281 8.046 ( 0.299 0.000 -0.961) 1.006 8.046 ( 0.299 0.000 0.961) 1.006 8.301 ( 7.478 0.000 -5.305) 9.168 8.301 ( 7.478 0.000 5.305) 9.168 8.502 ( -11.376 0.000 -4.958) 12.409 8.502 ( -11.376 0.000 4.958) 12.409 8.987 ( 2.515 0.000 -2.430) 3.497 8.987 ( 2.515 0.000 2.430) 3.497 9.159 ( 0.439 0.000 -2.526) 2.564 9.159 ( 0.439 0.000 2.526) 2.564 9.473 ( -0.560 0.000 -7.121) 7.143 9.473 ( -0.560 0.000 7.121) 7.143 9.523 ( -5.616 0.000 -4.326) 7.089 9.523 ( -5.616 0.000 4.326) 7.089 10.202 ( -21.540 0.000 -8.315) 23.090 10.202 ( -21.540 0.000 8.315) 23.090 10.466 ( 4.860 0.000 -14.316) 15.118 10.466 ( 4.860 0.000 14.316) 15.118 10.801 ( -2.430 0.000 -9.790) 10.087 10.801 ( -2.430 0.000 9.790) 10.087 10.994 ( -9.268 0.000 -10.720) 14.171 10.994 ( -9.268 0.000 10.720) 14.171 11.549 ( 8.375 0.000 -5.262) 9.891 11.549 ( 8.375 0.000 5.262) 9.891 12.036 ( 17.397 0.000 -11.343) 20.768 12.036 ( 17.397 0.000 11.343) 20.768 12.572 ( 2.364 0.000 -20.737) 20.871 12.572 ( 2.364 0.000 20.737) 20.871 13.303 ( -1.511 0.000 -3.916) 4.198 13.303 ( -1.511 0.000 3.916) 4.198 13.415 ( 0.419 0.000 -17.028) 17.034 13.415 ( 0.419 0.000 17.028) 17.034 13.454 ( -0.404 0.000 -16.360) 16.365 13.454 ( -0.404 0.000 16.360) 16.365 14.193 ( 3.307 0.000 -4.346) 5.461 14.193 ( 3.307 0.000 4.346) 5.461 14.789 ( -2.794 0.000 -6.186) 6.788 14.789 ( -2.794 0.000 6.186) 6.788 15.209 ( -3.422 0.000 -1.355) 3.680 15.209 ( -3.422 0.000 1.355) 3.680 15.753 ( -0.993 0.000 -13.173) 13.210 15.753 ( -0.993 0.000 13.173) 13.210 18.013 ( 2.860 0.000 -25.212) 25.374 18.013 ( 2.860 0.000 25.212) 25.374 18.386 ( -0.070 0.000 -1.583) 1.584 18.386 ( -0.070 0.000 1.583) 1.584 18.394 ( 0.071 0.000 -1.646) 1.647 18.394 ( 0.071 0.000 1.646) 1.647 19.851 ( -5.761 0.000 -6.461) 8.657 19.851 ( -5.761 0.000 6.461) 8.657 20.774 ( -5.337 0.000 -8.138) 9.732 20.774 ( -5.337 0.000 8.138) 9.732 21.123 ( -31.904 0.000 -12.730) 34.350 21.123 ( -31.904 0.000 12.730) 34.350 24.222 ( 14.408 0.000 -14.524) 20.458 24.222 ( 14.408 0.000 14.524) 20.458 25.543 ( 10.924 0.000 -9.279) 14.333 25.543 ( 10.924 0.000 9.279) 14.333 ======================= Grid point 154 (51/72) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.847 ( 9.114 0.000 -14.978) 17.533 1.847 ( 9.114 0.000 14.978) 17.533 2.245 ( 12.894 0.000 -20.656) 24.349 2.245 ( 12.894 0.000 20.656) 24.349 2.589 ( -11.101 0.000 -7.565) 13.434 2.589 ( -11.101 0.000 7.565) 13.434 2.842 ( -15.673 0.000 -13.941) 20.976 2.842 ( -15.673 0.000 13.941) 20.976 3.410 ( 5.430 0.000 -4.462) 7.028 3.410 ( 5.430 0.000 4.462) 7.028 3.739 ( 23.460 0.000 -33.921) 41.244 3.739 ( 23.460 0.000 33.921) 41.244 3.945 ( 0.101 0.000 -2.702) 2.704 3.945 ( 0.101 0.000 2.702) 2.704 4.322 ( -23.674 0.000 -14.327) 27.672 4.322 ( -23.674 0.000 14.327) 27.672 4.410 ( 2.797 0.000 -1.104) 3.007 4.410 ( 2.797 0.000 1.104) 3.007 4.776 ( -1.416 0.000 -10.494) 10.589 4.776 ( -1.416 0.000 10.494) 10.589 5.165 ( 8.437 0.000 -2.428) 8.780 5.165 ( 8.437 0.000 2.428) 8.780 5.414 ( 16.807 0.000 -10.649) 19.896 5.414 ( 16.807 0.000 10.649) 19.896 5.424 ( -7.547 0.000 -2.186) 7.857 5.424 ( -7.547 0.000 2.186) 7.857 5.821 ( -17.077 0.000 -13.721) 21.907 5.821 ( -17.077 0.000 13.721) 21.907 6.441 ( 1.598 0.000 -6.698) 6.886 6.441 ( 1.598 0.000 6.698) 6.886 6.868 ( -3.529 0.000 -5.612) 6.630 6.868 ( -3.529 0.000 5.612) 6.630 7.689 ( 8.094 0.000 -6.489) 10.374 7.689 ( 8.094 0.000 6.489) 10.374 7.809 ( 3.547 0.000 -4.983) 6.116 7.809 ( 3.547 0.000 4.983) 6.116 7.962 ( 4.949 0.000 -6.229) 7.956 7.962 ( 4.949 0.000 6.229) 7.956 8.052 ( 0.184 0.000 -0.367) 0.411 8.052 ( 0.184 0.000 0.367) 0.411 8.241 ( -13.927 0.000 -5.881) 15.118 8.241 ( -13.927 0.000 5.881) 15.118 8.715 ( 23.138 0.000 -6.800) 24.117 8.715 ( 23.138 0.000 6.800) 24.117 9.036 ( 1.777 0.000 -1.655) 2.428 9.036 ( 1.777 0.000 1.655) 2.428 9.178 ( 1.365 0.000 -2.225) 2.611 9.178 ( 1.365 0.000 2.225) 2.611 9.405 ( -7.834 0.000 -4.534) 9.052 9.405 ( -7.834 0.000 4.534) 9.052 9.409 ( -4.568 0.000 -1.772) 4.900 9.409 ( -4.568 0.000 1.772) 4.900 9.775 ( -15.801 0.000 -8.536) 17.959 9.775 ( -15.801 0.000 8.536) 17.959 10.568 ( 4.407 0.000 -8.842) 9.879 10.568 ( 4.407 0.000 8.842) 9.879 10.740 ( -3.125 0.000 -7.361) 7.996 10.740 ( -3.125 0.000 7.361) 7.996 10.877 ( -3.011 0.000 -4.296) 5.247 10.877 ( -3.011 0.000 4.296) 5.247 11.663 ( 3.188 0.000 -1.131) 3.383 11.663 ( 3.188 0.000 1.131) 3.383 12.303 ( 7.545 0.000 -5.947) 9.607 12.303 ( 7.545 0.000 5.947) 9.607 12.621 ( 2.014 0.000 -8.041) 8.289 12.621 ( 2.014 0.000 8.041) 8.289 13.279 ( -0.693 0.000 -1.960) 2.079 13.279 ( -0.693 0.000 1.960) 2.079 13.425 ( 0.534 0.000 -13.410) 13.420 13.425 ( 0.534 0.000 13.410) 13.420 13.444 ( -0.525 0.000 -13.154) 13.165 13.444 ( -0.525 0.000 13.154) 13.165 14.266 ( 3.227 0.000 -3.385) 4.677 14.266 ( 3.227 0.000 3.385) 4.677 14.709 ( -4.054 0.000 -4.908) 6.366 14.709 ( -4.054 0.000 4.908) 6.366 15.150 ( -1.836 0.000 -0.515) 1.907 15.150 ( -1.836 0.000 0.515) 1.907 15.740 ( -0.277 0.000 -5.131) 5.139 15.740 ( -0.277 0.000 5.131) 5.139 18.072 ( 2.231 0.000 -11.398) 11.614 18.072 ( 2.231 0.000 11.398) 11.614 18.385 ( -0.033 0.000 -0.468) 0.469 18.385 ( -0.033 0.000 0.468) 0.469 18.395 ( 0.034 0.000 -0.492) 0.493 18.395 ( 0.034 0.000 0.492) 0.493 19.691 ( -7.530 0.000 -7.190) 10.411 19.691 ( -7.530 0.000 7.190) 10.411 20.585 ( -7.873 0.000 -5.609) 9.667 20.585 ( -7.873 0.000 5.609) 9.667 20.814 ( -3.776 0.000 -4.532) 5.899 20.814 ( -3.776 0.000 4.532) 5.899 24.401 ( 4.147 0.000 -5.955) 7.257 24.401 ( 4.147 0.000 5.955) 7.257 25.723 ( 5.486 0.000 -2.963) 6.235 25.723 ( 5.486 0.000 2.963) 6.235 ======================= Grid point 160 (52/72) ======================= q-point: ( 0.00 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( 0.000 13.293 -23.583) 27.071 1.652 ( 0.000 13.293 23.583) 27.071 1.831 ( 0.000 2.722 -29.955) 30.078 1.831 ( 0.000 2.722 29.955) 30.078 2.964 ( 0.000 11.951 -6.965) 13.833 2.964 ( 0.000 11.951 6.965) 13.833 3.371 ( 0.000 18.103 -32.494) 37.196 3.371 ( 0.000 18.103 32.494) 37.196 3.578 ( 0.000 15.304 -11.064) 18.885 3.578 ( 0.000 15.304 11.064) 18.885 3.723 ( 0.000 5.204 -14.077) 15.008 3.723 ( 0.000 5.204 14.077) 15.008 3.934 ( 0.000 1.120 -1.700) 2.035 3.934 ( 0.000 1.120 1.700) 2.035 4.217 ( 0.000 0.612 -3.921) 3.968 4.217 ( 0.000 0.612 3.921) 3.968 4.410 ( 0.000 11.228 -1.798) 11.371 4.410 ( 0.000 11.228 1.798) 11.371 4.649 ( 0.000 7.874 -4.556) 9.097 4.649 ( 0.000 7.874 4.556) 9.097 5.278 ( 0.000 22.815 -0.179) 22.816 5.278 ( 0.000 22.815 0.179) 22.816 5.616 ( 0.000 2.588 -3.330) 4.218 5.616 ( 0.000 2.588 3.330) 4.218 5.849 ( 0.000 17.741 -3.842) 18.153 5.849 ( 0.000 17.741 3.842) 18.153 6.049 ( 0.000 2.150 -6.288) 6.645 6.049 ( 0.000 2.150 6.288) 6.645 6.547 ( 0.000 6.664 -3.578) 7.563 6.547 ( 0.000 6.664 3.578) 7.563 7.059 ( 0.000 -5.053 -4.553) 6.802 7.059 ( 0.000 -5.053 4.553) 6.802 7.287 ( 0.000 2.620 -1.345) 2.945 7.287 ( 0.000 2.620 1.345) 2.945 7.426 ( 0.000 1.124 -2.361) 2.615 7.426 ( 0.000 1.124 2.361) 2.615 7.786 ( 0.000 -4.245 -3.973) 5.814 7.786 ( 0.000 -4.245 3.973) 5.814 8.174 ( 0.000 5.798 -1.148) 5.910 8.174 ( 0.000 5.798 1.148) 5.910 8.354 ( 0.000 9.114 -0.522) 9.128 8.354 ( 0.000 9.114 0.522) 9.128 8.517 ( 0.000 -9.734 -2.231) 9.986 8.517 ( 0.000 -9.734 2.231) 9.986 9.026 ( 0.000 2.707 -3.993) 4.824 9.026 ( 0.000 2.707 3.993) 4.824 9.161 ( 0.000 1.947 -2.044) 2.823 9.161 ( 0.000 1.947 2.044) 2.823 9.480 ( 0.000 5.096 -4.879) 7.055 9.480 ( 0.000 5.096 4.879) 7.055 9.720 ( 0.000 8.577 -2.079) 8.825 9.720 ( 0.000 8.577 2.079) 8.825 10.067 ( 0.000 -6.791 -10.570) 12.563 10.067 ( 0.000 -6.791 10.570) 12.563 10.671 ( 0.000 -9.126 -2.560) 9.478 10.671 ( 0.000 -9.126 2.560) 9.478 10.934 ( 0.000 16.213 -10.420) 19.273 10.934 ( 0.000 16.213 10.420) 19.273 11.249 ( 0.000 5.052 -7.952) 9.421 11.249 ( 0.000 5.052 7.952) 9.421 11.498 ( 0.000 11.602 -6.960) 13.530 11.498 ( 0.000 11.602 6.960) 13.530 11.950 ( 0.000 12.109 -12.623) 17.492 11.950 ( 0.000 12.109 12.623) 17.492 12.516 ( 0.000 -3.493 -23.883) 24.137 12.516 ( 0.000 -3.493 23.883) 24.137 12.954 ( 0.000 -25.646 -10.273) 27.627 12.954 ( 0.000 -25.646 10.273) 27.627 13.054 ( 0.000 -28.251 -14.791) 31.888 13.054 ( 0.000 -28.251 14.791) 31.888 13.567 ( 0.000 2.582 -10.541) 10.852 13.567 ( 0.000 2.582 10.541) 10.852 14.249 ( 0.000 6.055 -3.810) 7.154 14.249 ( 0.000 6.055 3.810) 7.154 15.116 ( 0.000 24.515 -9.502) 26.292 15.116 ( 0.000 24.515 9.502) 26.292 15.308 ( 0.000 5.057 -2.839) 5.800 15.308 ( 0.000 5.057 2.839) 5.800 15.753 ( 0.000 -0.856 -14.436) 14.462 15.753 ( 0.000 -0.856 14.436) 14.462 17.673 ( 0.000 -22.593 -12.562) 25.851 17.673 ( 0.000 -22.593 12.562) 25.851 17.902 ( 0.000 -36.885 -6.072) 37.381 17.902 ( 0.000 -36.885 6.072) 37.381 18.563 ( 0.000 9.384 -20.403) 22.457 18.563 ( 0.000 9.384 20.403) 22.457 20.192 ( 0.000 15.508 -1.474) 15.578 20.192 ( 0.000 15.508 1.474) 15.578 21.009 ( 0.000 18.480 -4.676) 19.062 21.009 ( 0.000 18.480 4.676) 19.062 21.614 ( 0.000 3.710 -4.768) 6.041 21.614 ( 0.000 3.710 4.768) 6.041 23.952 ( 0.000 -3.606 -10.432) 11.037 23.952 ( 0.000 -3.606 10.432) 11.037 25.289 ( 0.000 -12.156 -11.766) 16.918 25.289 ( 0.000 -12.156 11.766) 16.918 ======================= Grid point 162 (53/72) ======================= q-point: ( 0.20 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.749 ( 9.106 11.584 -22.908) 27.238 1.749 ( 9.106 11.584 22.908) 27.238 1.984 ( 14.269 4.256 -30.079) 33.563 1.984 ( 14.269 4.256 30.079) 33.563 2.881 ( -9.917 6.216 -6.461) 13.369 2.881 ( -9.917 6.216 6.461) 13.369 3.296 ( -16.629 11.272 -12.170) 23.488 3.296 ( -16.629 11.272 12.170) 23.488 3.423 ( 0.032 16.036 -18.463) 24.455 3.423 ( 0.032 16.036 18.463) 24.455 3.698 ( 3.353 13.598 -21.292) 25.486 3.698 ( 3.353 13.598 21.292) 25.486 3.976 ( 0.796 2.939 -5.410) 6.208 3.976 ( 0.796 2.939 5.410) 6.208 4.336 ( 8.414 2.830 -3.098) 9.402 4.336 ( 8.414 2.830 3.098) 9.402 4.554 ( 5.516 7.038 -5.041) 10.265 4.554 ( 5.516 7.038 5.041) 10.265 4.720 ( 11.015 8.904 -4.334) 14.812 4.720 ( 11.015 8.904 4.334) 14.812 5.299 ( 1.926 21.068 -0.149) 21.156 5.299 ( 1.926 21.068 0.149) 21.156 5.487 ( -12.663 6.163 -6.590) 15.549 5.487 ( -12.663 6.163 6.590) 15.549 5.737 ( -6.332 14.687 -0.895) 16.019 5.737 ( -6.332 14.687 0.895) 16.019 6.082 ( -0.891 7.820 -9.737) 12.520 6.082 ( -0.891 7.820 9.737) 12.520 6.467 ( -5.044 3.640 -8.473) 10.511 6.467 ( -5.044 3.640 8.473) 10.511 6.981 ( -4.407 1.284 -6.533) 7.985 6.981 ( -4.407 1.284 6.533) 7.985 7.440 ( 11.966 -1.843 -5.034) 13.112 7.440 ( 11.966 -1.843 5.034) 13.112 7.569 ( 11.358 -0.900 -1.090) 11.446 7.569 ( 11.358 -0.900 1.090) 11.446 7.871 ( 5.506 -6.387 -4.353) 9.490 7.871 ( 5.506 -6.387 4.353) 9.490 8.129 ( -5.512 1.184 -3.879) 6.843 8.129 ( -5.512 1.184 3.879) 6.843 8.389 ( -4.404 -1.764 -4.870) 6.799 8.389 ( -4.404 -1.764 4.870) 6.799 8.456 ( 6.752 8.118 -4.204) 11.365 8.456 ( 6.752 8.118 4.204) 11.365 9.025 ( -0.271 0.047 -3.944) 3.953 9.025 ( -0.271 0.047 3.944) 3.953 9.198 ( 3.385 5.115 -2.067) 6.472 9.198 ( 3.385 5.115 2.067) 6.472 9.462 ( -2.347 3.067 -4.539) 5.960 9.462 ( -2.347 3.067 4.539) 5.960 9.658 ( -5.532 8.781 -1.275) 10.456 9.658 ( -5.532 8.781 1.275) 10.456 10.034 ( -4.700 -2.423 -4.620) 7.022 10.034 ( -4.700 -2.423 4.620) 7.022 10.642 ( -2.529 -6.490 -3.482) 7.787 10.642 ( -2.529 -6.490 3.482) 7.787 10.804 ( -9.392 10.865 -3.003) 14.673 10.804 ( -9.392 10.865 3.003) 14.673 11.130 ( -8.063 12.917 -1.864) 15.341 11.130 ( -8.063 12.917 1.864) 15.341 11.579 ( 6.179 3.771 -5.352) 9.003 11.579 ( 6.179 3.771 5.352) 9.003 12.137 ( 13.658 7.259 -11.477) 19.261 12.137 ( 13.658 7.259 11.477) 19.261 12.547 ( 3.010 -2.952 -18.624) 19.095 12.547 ( 3.010 -2.952 18.624) 19.095 12.937 ( -1.579 -26.432 -6.394) 27.240 12.937 ( -1.579 -26.432 6.394) 27.240 13.083 ( 2.762 -25.513 -9.951) 27.524 13.083 ( 2.762 -25.513 9.951) 27.524 13.536 ( -2.657 1.358 -9.162) 9.636 13.536 ( -2.657 1.358 9.162) 9.636 14.310 ( 5.839 8.172 -5.149) 11.287 14.310 ( 5.839 8.172 5.149) 11.287 15.073 ( -5.400 21.650 -9.116) 24.103 15.073 ( -5.400 21.650 9.116) 24.103 15.270 ( -2.639 6.495 -1.619) 7.195 15.270 ( -2.639 6.495 1.619) 7.195 15.749 ( -0.186 0.000 -11.646) 11.647 15.749 ( -0.186 0.000 11.646) 11.647 17.683 ( 0.887 -23.206 -10.563) 25.513 17.683 ( 0.887 -23.206 10.563) 25.513 17.900 ( -0.165 -36.827 -5.147) 37.185 17.900 ( -0.165 -36.827 5.147) 37.185 18.592 ( 2.809 10.515 -18.755) 21.685 18.592 ( 2.809 10.515 18.755) 21.685 20.133 ( -7.000 12.906 -6.968) 16.252 20.133 ( -7.000 12.906 6.968) 16.252 20.968 ( -4.916 19.462 -5.266) 20.753 20.968 ( -4.916 19.462 5.266) 20.753 21.217 ( -26.860 11.854 -9.904) 30.985 21.217 ( -26.860 11.854 9.904) 30.985 24.158 ( 13.636 -5.917 -13.450) 20.046 24.158 ( 13.636 -5.917 13.450) 20.046 25.399 ( 9.572 -13.854 -8.188) 18.725 25.399 ( 9.572 -13.854 8.188) 18.725 ======================= Grid point 164 (54/72) ======================= q-point: ( 0.40 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.951 ( 9.175 10.750 -12.865) 19.111 1.951 ( 9.175 10.750 12.865) 19.111 2.280 ( 11.605 5.313 -19.055) 22.935 2.280 ( 11.605 5.313 19.055) 22.935 2.673 ( -4.724 6.846 -5.975) 10.241 2.673 ( -4.724 6.846 5.975) 10.241 2.898 ( -19.972 6.521 -12.788) 24.595 2.898 ( -19.972 6.521 12.788) 24.595 3.473 ( 1.055 5.950 -2.579) 6.570 3.473 ( 1.055 5.950 2.579) 6.570 3.948 ( 15.391 14.862 -20.751) 29.805 3.948 ( 15.391 14.862 20.751) 29.805 3.990 ( 7.045 9.022 -9.737) 15.028 3.990 ( 7.045 9.022 9.737) 15.028 4.380 ( -10.108 7.687 -9.635) 15.941 4.380 ( -10.108 7.687 9.635) 15.941 4.560 ( -1.141 12.033 -2.069) 12.263 4.560 ( -1.141 12.033 2.069) 12.263 4.806 ( -5.180 6.172 -11.019) 13.650 4.806 ( -5.180 6.172 11.019) 13.650 5.332 ( 7.918 7.534 -3.415) 11.451 5.332 ( 7.918 7.534 3.415) 11.451 5.480 ( 6.335 14.046 -2.293) 15.578 5.480 ( 6.335 14.046 2.293) 15.578 5.643 ( 0.033 15.976 -3.472) 16.349 5.643 ( 0.033 15.976 3.472) 16.349 5.913 ( -15.077 13.377 -10.416) 22.688 5.913 ( -15.077 13.377 10.416) 22.688 6.434 ( 0.650 -0.580 -5.618) 5.685 6.434 ( 0.650 -0.580 5.618) 5.685 6.918 ( -2.063 5.273 -4.404) 7.173 6.918 ( -2.063 5.273 4.404) 7.173 7.637 ( 7.003 -4.664 -3.780) 9.224 7.637 ( 7.003 -4.664 3.780) 9.224 7.801 ( 6.134 -0.420 -5.872) 8.502 7.801 ( 6.134 -0.420 5.872) 8.502 7.907 ( 4.003 -4.117 -5.047) 7.645 7.907 ( 4.003 -4.117 5.047) 7.645 8.056 ( -0.340 -0.961 -0.664) 1.216 8.056 ( -0.340 -0.961 0.664) 1.216 8.184 ( -12.421 -4.504 -4.496) 13.957 8.184 ( -12.421 -4.504 4.496) 13.957 8.791 ( 19.099 7.300 -3.477) 20.740 8.791 ( 19.099 7.300 3.477) 20.740 9.007 ( -1.847 -3.673 -3.215) 5.219 9.007 ( -1.847 -3.673 3.215) 5.219 9.273 ( 3.297 7.322 -1.495) 8.168 9.273 ( 3.297 7.322 1.495) 8.168 9.358 ( -8.102 2.366 -5.971) 10.339 9.358 ( -8.102 2.366 5.971) 10.339 9.546 ( -4.664 8.359 -1.286) 9.658 9.546 ( -4.664 8.359 1.286) 9.658 9.889 ( -6.772 11.774 -3.285) 13.974 9.889 ( -6.772 11.774 3.285) 13.974 10.616 ( 0.647 -4.524 -4.294) 6.271 10.616 ( 0.647 -4.524 4.294) 6.271 10.674 ( -4.093 2.069 -3.745) 5.921 10.674 ( -4.093 2.069 3.745) 5.921 11.012 ( -3.423 12.687 -1.569) 13.234 11.012 ( -3.423 12.687 1.569) 13.234 11.677 ( 2.955 2.111 -1.284) 3.852 11.677 ( 2.955 2.111 1.284) 3.852 12.330 ( 4.882 -0.778 -4.821) 6.905 12.330 ( 4.882 -0.778 4.821) 6.905 12.619 ( 3.346 -0.370 -7.153) 7.905 12.619 ( 3.346 -0.370 7.153) 7.905 12.901 ( -1.633 -28.302 -2.348) 28.446 12.901 ( -1.633 -28.302 2.348) 28.446 13.140 ( 2.199 -21.347 -3.419) 21.731 13.140 ( 2.199 -21.347 3.419) 21.731 13.489 ( -1.653 -0.477 -4.093) 4.440 13.489 ( -1.653 -0.477 4.093) 4.440 14.445 ( 6.409 13.394 -5.006) 15.670 14.445 ( 6.409 13.394 5.006) 15.670 14.913 ( -8.126 12.478 -6.716) 16.335 14.913 ( -8.126 12.478 6.716) 16.335 15.243 ( -0.361 11.863 -0.922) 11.904 15.243 ( -0.361 11.863 0.922) 11.904 15.749 ( 0.116 1.072 -4.265) 4.399 15.749 ( 0.116 1.072 4.265) 4.399 17.700 ( 0.585 -24.298 -4.317) 24.685 17.700 ( 0.585 -24.298 4.317) 24.685 17.897 ( -0.116 -36.718 -2.147) 36.781 17.897 ( -0.116 -36.718 2.147) 36.781 18.653 ( 2.507 12.830 -9.392) 16.097 18.653 ( 2.507 12.830 9.392) 16.097 19.937 ( -9.068 8.699 -8.338) 15.081 19.937 ( -9.068 8.699 8.338) 15.081 20.789 ( -6.726 23.637 -3.302) 24.796 20.789 ( -6.726 23.637 3.302) 24.796 20.979 ( -2.762 16.525 -3.236) 17.064 20.979 ( -2.762 16.525 3.236) 17.064 24.333 ( 4.204 -6.539 -5.692) 9.635 24.333 ( 4.204 -6.539 5.692) 9.635 25.562 ( 5.156 -15.560 -2.384) 16.565 25.562 ( 5.156 -15.560 2.384) 16.565 ======================= Grid point 170 (55/72) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.944 ( 0.000 19.327 -10.917) 22.197 1.944 ( 0.000 19.327 10.917) 22.197 2.142 ( 0.000 24.975 -9.436) 26.698 2.142 ( 0.000 24.975 9.436) 26.698 3.129 ( 0.000 8.330 -1.619) 8.486 3.129 ( 0.000 8.330 1.619) 8.486 3.784 ( 0.000 17.280 -10.668) 20.307 3.784 ( 0.000 17.280 10.668) 20.307 3.847 ( 0.000 8.396 -5.022) 9.783 3.847 ( 0.000 8.396 5.022) 9.783 3.986 ( 0.000 5.971 -6.888) 9.115 3.986 ( 0.000 5.971 6.888) 9.115 4.060 ( 0.000 29.215 -23.860) 37.721 4.060 ( 0.000 29.215 23.860) 37.721 4.239 ( 0.000 4.464 -7.710) 8.909 4.239 ( 0.000 4.464 7.710) 8.909 4.640 ( 0.000 13.454 -0.199) 13.455 4.640 ( 0.000 13.454 0.199) 13.455 4.987 ( 0.000 21.700 -0.696) 21.711 4.987 ( 0.000 21.700 0.696) 21.711 5.553 ( 0.000 4.686 -4.348) 6.392 5.553 ( 0.000 4.686 4.348) 6.392 5.776 ( 0.000 11.994 -3.525) 12.502 5.776 ( 0.000 11.994 3.525) 12.502 6.030 ( 0.000 3.007 -2.021) 3.623 6.030 ( 0.000 3.007 2.021) 3.623 6.396 ( 0.000 28.207 -2.550) 28.322 6.396 ( 0.000 28.207 2.550) 28.322 6.769 ( 0.000 13.780 -5.484) 14.831 6.769 ( 0.000 13.780 5.484) 14.831 6.997 ( 0.000 1.322 -3.427) 3.673 6.997 ( 0.000 1.322 3.427) 3.673 7.354 ( 0.000 3.147 -2.943) 4.309 7.354 ( 0.000 3.147 2.943) 4.309 7.487 ( 0.000 6.292 -0.795) 6.342 7.487 ( 0.000 6.292 0.795) 6.342 7.700 ( 0.000 -4.289 -4.562) 6.261 7.700 ( 0.000 -4.289 4.562) 6.261 8.181 ( 0.000 -1.707 -4.430) 4.748 8.181 ( 0.000 -1.707 4.430) 4.748 8.358 ( 0.000 -4.408 -0.640) 4.455 8.358 ( 0.000 -4.408 0.640) 4.455 8.655 ( 0.000 17.052 -4.043) 17.524 8.655 ( 0.000 17.052 4.043) 17.524 9.013 ( 0.000 -1.161 -4.930) 5.065 9.013 ( 0.000 -1.161 4.930) 5.065 9.279 ( 0.000 9.969 -0.051) 9.969 9.279 ( 0.000 9.969 0.051) 9.969 9.643 ( 0.000 8.341 -1.645) 8.502 9.643 ( 0.000 8.341 1.645) 8.502 9.846 ( 0.000 7.975 -2.271) 8.292 9.846 ( 0.000 7.975 2.271) 8.292 10.158 ( 0.000 10.396 -7.716) 12.947 10.158 ( 0.000 10.396 7.716) 12.947 10.529 ( 0.000 -3.543 -3.350) 4.877 10.529 ( 0.000 -3.543 3.350) 4.877 11.042 ( 0.000 -1.578 -8.327) 8.475 11.042 ( 0.000 -1.578 8.327) 8.475 11.331 ( 0.000 -1.438 -9.928) 10.032 11.331 ( 0.000 -1.438 9.928) 10.032 11.725 ( 0.000 8.081 -8.405) 11.660 11.725 ( 0.000 8.081 8.405) 11.660 12.140 ( 0.000 1.423 -8.150) 8.273 12.140 ( 0.000 1.423 8.150) 8.273 12.311 ( 0.000 -21.020 -5.165) 21.645 12.311 ( 0.000 -21.020 5.165) 21.645 12.494 ( 0.000 -11.886 -29.774) 32.058 12.494 ( 0.000 -11.886 29.774) 32.058 12.692 ( 0.000 -2.407 -23.465) 23.588 12.692 ( 0.000 -2.407 23.465) 23.588 13.556 ( 0.000 -2.779 -9.270) 9.677 13.556 ( 0.000 -2.779 9.270) 9.677 14.348 ( 0.000 4.172 -6.875) 8.042 14.348 ( 0.000 4.172 6.875) 8.042 15.360 ( 0.000 -0.677 -7.068) 7.100 15.360 ( 0.000 -0.677 7.068) 7.100 15.575 ( 0.000 18.742 -9.413) 20.974 15.575 ( 0.000 18.742 9.413) 20.974 15.760 ( 0.000 1.535 -9.837) 9.956 15.760 ( 0.000 1.535 9.837) 9.956 17.221 ( 0.000 -24.584 -5.105) 25.108 17.221 ( 0.000 -24.584 5.105) 25.108 17.285 ( 0.000 -20.428 -1.633) 20.493 17.285 ( 0.000 -20.428 1.633) 20.493 18.663 ( 0.000 1.077 -31.097) 31.116 18.663 ( 0.000 1.077 31.097) 31.116 20.244 ( 0.000 -9.363 -8.088) 12.373 20.244 ( 0.000 -9.363 8.088) 12.373 21.452 ( 0.000 24.583 -2.354) 24.695 21.452 ( 0.000 24.583 2.354) 24.695 21.771 ( 0.000 10.691 -3.035) 11.113 21.771 ( 0.000 10.691 3.035) 11.113 23.890 ( 0.000 -1.966 -7.013) 7.284 23.890 ( 0.000 -1.966 7.013) 7.284 24.979 ( 0.000 -18.668 -8.962) 20.708 24.979 ( 0.000 -18.668 8.962) 20.708 ======================= Grid point 172 (56/72) ======================= q-point: ( 0.20 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.045 ( 9.625 19.190 -9.433) 23.449 2.045 ( 9.625 19.190 9.433) 23.449 2.248 ( 10.146 21.300 -13.331) 27.099 2.248 ( 10.146 21.300 13.331) 27.099 3.035 ( -9.236 10.194 -3.001) 14.080 3.035 ( -9.236 10.194 3.001) 14.080 3.511 ( -22.829 9.448 -9.752) 26.562 3.511 ( -22.829 9.448 9.752) 26.562 3.692 ( -5.076 13.617 -5.474) 15.529 3.692 ( -5.076 13.617 5.474) 15.529 4.046 ( 1.314 4.652 -2.913) 5.644 4.046 ( 1.314 4.652 2.913) 5.644 4.192 ( 10.324 30.870 -26.180) 41.772 4.192 ( 10.324 30.870 26.180) 41.772 4.429 ( 13.482 7.392 -5.368) 16.286 4.429 ( 13.482 7.392 5.368) 16.286 4.735 ( 6.217 11.739 -1.795) 13.404 4.735 ( 6.217 11.739 1.795) 13.404 5.019 ( 3.818 18.692 -2.600) 19.254 5.019 ( 3.818 18.692 2.600) 19.254 5.538 ( -0.699 6.697 -2.488) 7.179 5.538 ( -0.699 6.697 2.488) 7.179 5.728 ( -8.060 11.976 -5.934) 15.607 5.728 ( -8.060 11.976 5.934) 15.607 5.995 ( 0.970 10.274 -6.385) 12.135 5.995 ( 0.970 10.274 6.385) 12.135 6.420 ( 1.508 23.430 -2.549) 23.617 6.420 ( 1.508 23.430 2.549) 23.617 6.635 ( -11.783 14.876 -5.750) 19.829 6.635 ( -11.783 14.876 5.750) 19.829 7.013 ( 1.559 1.933 -3.870) 4.599 7.013 ( 1.559 1.933 3.870) 4.599 7.447 ( 7.618 2.993 -2.059) 8.440 7.447 ( 7.618 2.993 2.059) 8.440 7.580 ( 8.978 2.732 -1.200) 9.460 7.580 ( 8.978 2.732 1.200) 9.460 7.760 ( 4.724 -4.791 -4.346) 8.010 7.760 ( 4.724 -4.791 4.346) 8.010 8.126 ( -4.765 0.565 -4.811) 6.795 8.126 ( -4.765 0.565 4.811) 6.795 8.286 ( -6.810 -3.576 -1.170) 7.781 8.286 ( -6.810 -3.576 1.170) 7.781 8.738 ( 8.043 14.405 -3.536) 16.873 8.738 ( 8.043 14.405 3.536) 16.873 8.992 ( -1.834 -0.355 -4.356) 4.740 8.992 ( -1.834 -0.355 4.356) 4.740 9.320 ( 3.145 6.615 -1.751) 7.531 9.320 ( 3.145 6.615 1.751) 7.531 9.608 ( -2.889 10.585 -7.059) 13.047 9.608 ( -2.889 10.585 7.059) 13.047 9.814 ( -2.998 9.272 -2.283) 10.009 9.814 ( -2.998 9.272 2.283) 10.009 10.156 ( -0.748 9.066 -5.588) 10.676 10.156 ( -0.748 9.066 5.588) 10.676 10.526 ( 0.027 -1.477 -3.218) 3.541 10.526 ( 0.027 -1.477 3.218) 3.541 10.916 ( -10.154 1.591 -4.746) 11.321 10.916 ( -10.154 1.591 4.746) 11.321 11.298 ( -4.322 -1.150 -6.939) 8.256 11.298 ( -4.322 -1.150 6.939) 8.256 11.745 ( 2.170 10.438 -8.082) 13.379 11.745 ( 2.170 10.438 8.082) 13.379 12.109 ( -1.250 -12.774 -3.103) 13.205 12.109 ( -1.250 -12.774 3.103) 13.205 12.325 ( 0.369 -22.239 -2.788) 22.416 12.325 ( 0.369 -22.239 2.788) 22.416 12.540 ( 3.506 -6.927 -15.939) 17.729 12.540 ( 3.506 -6.927 15.939) 17.729 12.782 ( 7.786 -0.345 -15.942) 17.744 12.782 ( 7.786 -0.345 15.942) 17.744 13.509 ( -4.009 -3.258 -7.863) 9.408 13.509 ( -4.009 -3.258 7.863) 9.408 14.443 ( 9.078 5.342 -8.286) 13.402 14.443 ( 9.078 5.342 8.286) 13.402 15.274 ( -9.018 0.893 -9.274) 12.967 15.274 ( -9.018 0.893 9.274) 12.967 15.568 ( -0.119 17.735 -7.420) 19.225 15.568 ( -0.119 17.735 7.420) 19.225 15.768 ( 0.602 1.543 -7.297) 7.482 15.768 ( 0.602 1.543 7.297) 7.482 17.227 ( 0.493 -25.307 -4.817) 25.766 17.227 ( 0.493 -25.307 4.817) 25.766 17.281 ( -0.312 -19.934 -2.044) 20.041 17.281 ( -0.312 -19.934 2.044) 20.041 18.702 ( 3.846 1.156 -28.150) 28.435 18.702 ( 3.846 1.156 28.150) 28.435 20.125 ( -11.610 -10.977 -13.383) 20.842 20.125 ( -11.610 -10.977 13.383) 20.842 21.427 ( -2.359 24.774 -1.356) 24.923 21.427 ( -2.359 24.774 1.356) 24.923 21.575 ( -14.122 20.797 -4.610) 25.558 21.575 ( -14.122 20.797 4.610) 25.558 24.030 ( 10.194 -6.176 -10.375) 15.802 24.030 ( 10.194 -6.176 10.375) 15.802 25.053 ( 6.654 -20.370 -7.086) 22.571 25.053 ( 6.654 -20.370 7.086) 22.571 ======================= Grid point 174 (57/72) ======================= q-point: ( 0.40 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.254 ( 9.052 19.540 -5.939) 22.339 2.254 ( 9.052 19.540 5.939) 22.339 2.484 ( 11.227 15.231 -16.007) 24.784 2.484 ( 11.227 15.231 16.007) 24.784 2.848 ( -5.879 11.815 -6.675) 14.789 2.848 ( -5.879 11.815 6.675) 14.789 3.075 ( -19.431 10.665 -10.203) 24.401 3.075 ( -19.431 10.665 10.203) 24.401 3.645 ( -0.696 11.780 -1.424) 11.886 3.645 ( -0.696 11.780 1.424) 11.886 4.044 ( -0.371 4.731 -1.546) 4.991 4.044 ( -0.371 4.731 1.546) 4.991 4.449 ( 13.896 24.419 -18.844) 33.830 4.449 ( 13.896 24.419 18.844) 33.830 4.608 ( 2.046 15.023 -6.072) 16.333 4.608 ( 2.046 15.023 6.072) 16.333 4.801 ( 2.427 12.111 -6.669) 14.037 4.801 ( 2.427 12.111 6.669) 14.037 5.037 ( -5.397 16.185 -11.019) 20.310 5.037 ( -5.397 16.185 11.019) 20.310 5.507 ( -0.965 12.384 -3.353) 12.866 5.507 ( -0.965 12.384 3.353) 12.866 5.646 ( 1.630 4.213 -2.881) 5.358 5.646 ( 1.630 4.213 2.881) 5.358 6.058 ( 4.534 20.657 -6.144) 22.024 6.058 ( 4.534 20.657 6.144) 22.024 6.351 ( -11.592 19.517 -4.544) 23.150 6.351 ( -11.592 19.517 4.544) 23.150 6.467 ( -0.107 12.860 -2.654) 13.131 6.467 ( -0.107 12.860 2.654) 13.131 7.049 ( 1.444 5.573 -2.197) 6.162 7.049 ( 1.444 5.573 2.197) 6.162 7.569 ( 3.837 0.353 -0.180) 3.857 7.569 ( 3.837 0.353 0.180) 3.857 7.787 ( 7.016 -1.511 -6.461) 9.656 7.787 ( 7.016 -1.511 6.461) 9.656 7.835 ( 5.717 -2.625 -3.178) 7.048 7.835 ( 5.717 -2.625 3.178) 7.048 8.037 ( -4.554 0.918 -1.995) 5.056 8.037 ( -4.554 0.918 1.995) 5.056 8.131 ( -7.099 0.579 -1.516) 7.283 8.131 ( -7.099 0.579 1.516) 7.283 8.873 ( 1.602 -1.169 -0.967) 2.206 8.873 ( 1.602 -1.169 0.967) 2.206 9.026 ( 8.303 8.569 -3.439) 12.417 9.026 ( 8.303 8.569 3.439) 12.417 9.312 ( -5.320 0.196 -0.375) 5.337 9.312 ( -5.320 0.196 0.375) 5.337 9.582 ( 0.835 16.659 -4.979) 17.407 9.582 ( 0.835 16.659 4.979) 17.407 9.749 ( -2.783 12.296 -1.843) 12.741 9.749 ( -2.783 12.296 1.843) 12.741 10.125 ( -1.616 7.328 -1.408) 7.635 10.125 ( -1.616 7.328 1.408) 7.635 10.538 ( 0.936 2.799 -2.082) 3.612 10.538 ( 0.936 2.799 2.082) 3.612 10.745 ( -5.594 2.890 -1.320) 6.433 10.745 ( -5.594 2.890 1.320) 6.433 11.205 ( -3.464 1.811 -3.092) 4.984 11.205 ( -3.464 1.811 3.092) 4.984 11.786 ( 1.322 7.643 -3.126) 8.363 11.786 ( 1.322 7.643 3.126) 8.363 12.104 ( 0.216 -22.341 -2.296) 22.460 12.104 ( 0.216 -22.341 2.296) 22.460 12.327 ( 0.093 -23.274 -1.099) 23.300 12.327 ( 0.093 -23.274 1.099) 23.300 12.594 ( 1.613 -4.481 -4.269) 6.396 12.594 ( 1.613 -4.481 4.269) 6.396 12.918 ( 4.524 1.004 -5.854) 7.466 12.918 ( 4.524 1.004 5.854) 7.466 13.437 ( -2.464 -4.059 -3.329) 5.799 13.437 ( -2.464 -4.059 3.329) 5.799 14.664 ( 12.053 8.195 -9.250) 17.262 14.664 ( 12.053 8.195 9.250) 17.262 15.040 ( -12.853 2.386 -9.909) 16.404 15.040 ( -12.853 2.386 9.909) 16.404 15.573 ( 0.368 16.629 -2.594) 16.834 15.573 ( 0.368 16.629 2.594) 16.834 15.778 ( 0.329 1.154 -2.431) 2.711 15.778 ( 0.329 1.154 2.431) 2.711 17.236 ( 0.306 -27.164 -2.470) 27.278 17.236 ( 0.306 -27.164 2.470) 27.278 17.276 ( -0.205 -18.469 -1.402) 18.523 17.276 ( -0.205 -18.469 1.402) 18.523 18.785 ( 3.413 1.276 -13.863) 14.334 18.785 ( 3.413 1.276 13.863) 14.334 19.884 ( -9.179 -10.553 -10.289) 17.363 19.884 ( -9.179 -10.553 10.289) 17.363 21.362 ( -3.468 28.938 -3.755) 29.386 21.362 ( -3.468 28.938 3.755) 29.386 21.406 ( -2.671 25.215 -4.306) 25.720 21.406 ( -2.671 25.215 4.306) 25.720 24.173 ( 3.734 -9.008 -4.798) 10.867 24.173 ( 3.734 -9.008 4.798) 10.867 25.174 ( 4.021 -22.750 -2.329) 23.219 25.174 ( 4.021 -22.750 2.329) 23.219 ======================= Grid point 180 (58/72) ======================= q-point: ( 0.00 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.416 ( 0.000 27.479 -5.956) 28.117 2.416 ( 0.000 27.479 5.956) 28.117 2.679 ( 0.000 28.497 -10.126) 30.243 2.679 ( 0.000 28.497 10.126) 30.243 3.321 ( 0.000 11.043 -2.911) 11.420 3.321 ( 0.000 11.043 2.911) 11.420 3.999 ( 0.000 7.346 -1.744) 7.550 3.999 ( 0.000 7.346 1.744) 7.550 4.029 ( 0.000 5.705 -3.968) 6.949 4.029 ( 0.000 5.705 3.968) 6.949 4.124 ( 0.000 13.035 -14.200) 19.276 4.124 ( 0.000 13.035 14.200) 19.276 4.388 ( 0.000 9.282 -1.954) 9.486 4.388 ( 0.000 9.282 1.954) 9.486 4.601 ( 0.000 20.406 -1.237) 20.444 4.601 ( 0.000 20.406 1.237) 20.444 5.009 ( 0.000 25.353 -16.338) 30.161 5.009 ( 0.000 25.353 16.338) 30.161 5.344 ( 0.000 12.537 -4.839) 13.438 5.344 ( 0.000 12.537 4.839) 13.438 5.608 ( 0.000 2.375 -8.309) 8.642 5.608 ( 0.000 2.375 8.309) 8.642 6.009 ( 0.000 12.051 -5.019) 13.054 6.009 ( 0.000 12.051 5.019) 13.054 6.070 ( 0.000 2.919 -7.206) 7.775 6.070 ( 0.000 2.919 7.206) 7.775 6.736 ( 0.000 1.868 -7.367) 7.600 6.736 ( 0.000 1.868 7.367) 7.600 7.029 ( 0.000 18.051 -1.364) 18.103 7.029 ( 0.000 18.051 1.364) 18.103 7.194 ( 0.000 11.575 -1.576) 11.681 7.194 ( 0.000 11.575 1.576) 11.681 7.363 ( 0.000 -2.495 -2.232) 3.348 7.363 ( 0.000 -2.495 2.232) 3.348 7.626 ( 0.000 -1.324 -1.657) 2.122 7.626 ( 0.000 -1.324 1.657) 2.122 7.706 ( 0.000 14.150 -2.306) 14.336 7.706 ( 0.000 14.150 2.306) 14.336 8.183 ( 0.000 3.249 -4.780) 5.780 8.183 ( 0.000 3.249 4.780) 5.780 8.376 ( 0.000 5.455 -3.934) 6.725 8.376 ( 0.000 5.455 3.934) 6.725 8.888 ( 0.000 5.642 -5.886) 8.153 8.888 ( 0.000 5.642 5.886) 8.153 9.124 ( 0.000 14.330 -8.135) 16.478 9.124 ( 0.000 14.330 8.135) 16.478 9.571 ( 0.000 20.128 -0.348) 20.131 9.571 ( 0.000 20.128 0.348) 20.131 9.767 ( 0.000 5.411 -0.437) 5.429 9.767 ( 0.000 5.411 0.437) 5.429 10.049 ( 0.000 8.950 -2.039) 9.179 10.049 ( 0.000 8.950 2.039) 9.179 10.325 ( 0.000 8.874 -4.464) 9.933 10.325 ( 0.000 8.874 4.464) 9.933 10.545 ( 0.000 2.597 -9.270) 9.627 10.545 ( 0.000 2.597 9.270) 9.627 10.907 ( 0.000 -15.916 -5.088) 16.709 10.907 ( 0.000 -15.916 5.088) 16.709 11.112 ( 0.000 -14.096 -9.317) 16.896 11.112 ( 0.000 -14.096 9.317) 16.896 11.641 ( 0.000 -15.205 -2.383) 15.391 11.641 ( 0.000 -15.205 2.383) 15.391 12.001 ( 0.000 3.042 -3.677) 4.772 12.001 ( 0.000 3.042 3.677) 4.772 12.271 ( 0.000 1.385 -5.287) 5.466 12.271 ( 0.000 1.385 5.287) 5.466 12.373 ( 0.000 1.450 -29.874) 29.909 12.373 ( 0.000 1.450 29.874) 29.909 12.845 ( 0.000 12.297 -34.376) 36.509 12.845 ( 0.000 12.297 34.376) 36.509 13.486 ( 0.000 -3.997 -8.711) 9.584 13.486 ( 0.000 -3.997 8.711) 9.584 14.426 ( 0.000 4.264 -8.863) 9.836 14.426 ( 0.000 4.264 8.863) 9.836 15.285 ( 0.000 -5.769 -11.841) 13.171 15.285 ( 0.000 -5.769 11.841) 13.171 15.736 ( 0.000 -4.281 -4.212) 6.006 15.736 ( 0.000 -4.281 4.212) 6.006 15.760 ( 0.000 -2.635 -1.072) 2.844 15.760 ( 0.000 -2.635 1.072) 2.844 16.927 ( 0.000 -3.095 -6.038) 6.785 16.927 ( 0.000 -3.095 6.038) 6.785 17.041 ( 0.000 -5.456 -3.784) 6.640 17.041 ( 0.000 -5.456 3.784) 6.640 18.632 ( 0.000 -3.444 -33.713) 33.888 18.632 ( 0.000 -3.444 33.713) 33.888 19.933 ( 0.000 -20.058 -16.065) 25.698 19.933 ( 0.000 -20.058 16.065) 25.698 21.852 ( 0.000 11.130 -0.015) 11.130 21.852 ( 0.000 11.130 0.015) 11.130 21.988 ( 0.000 14.372 -1.769) 14.481 21.988 ( 0.000 14.372 1.769) 14.481 23.883 ( 0.000 0.963 -2.794) 2.956 23.883 ( 0.000 0.963 2.794) 2.956 24.595 ( 0.000 -19.952 -6.557) 21.002 24.595 ( 0.000 -19.952 6.557) 21.002 ======================= Grid point 182 (59/72) ======================= q-point: ( 0.20 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.491 ( 7.514 25.494 -6.272) 27.309 2.491 ( 7.514 25.494 6.272) 27.309 2.726 ( 4.418 25.939 -7.501) 27.360 2.726 ( 4.418 25.939 7.501) 27.360 3.264 ( -5.657 12.517 -1.160) 13.785 3.264 ( -5.657 12.517 1.160) 13.785 3.684 ( -20.333 9.237 -7.781) 23.649 3.684 ( -20.333 9.237 7.781) 23.649 3.979 ( -6.682 15.222 -6.148) 17.724 3.979 ( -6.682 15.222 6.148) 17.724 4.161 ( 2.149 6.984 -2.050) 7.589 4.161 ( 2.149 6.984 2.050) 7.589 4.518 ( 10.693 6.416 -4.033) 13.106 4.518 ( 10.693 6.416 4.033) 13.106 4.789 ( 13.291 20.913 -3.655) 25.048 4.789 ( 13.291 20.913 3.655) 25.048 5.044 ( 1.833 20.435 -11.101) 23.328 5.044 ( 1.833 20.435 11.101) 23.328 5.345 ( 1.365 13.477 -8.436) 15.958 5.345 ( 1.365 13.477 8.436) 15.958 5.640 ( 3.261 4.038 -7.825) 9.390 5.640 ( 3.261 4.038 7.825) 9.390 5.956 ( -6.999 13.216 -12.844) 19.714 5.956 ( -6.999 13.216 12.844) 19.714 6.109 ( 5.454 3.105 -8.771) 10.785 6.109 ( 5.454 3.105 8.771) 10.785 6.708 ( -4.239 3.703 -6.569) 8.651 6.708 ( -4.239 3.703 6.569) 8.651 6.991 ( -3.478 14.846 -1.257) 15.300 6.991 ( -3.478 14.846 1.257) 15.300 7.105 ( -4.905 9.311 -4.278) 11.360 7.105 ( -4.905 9.311 4.278) 11.360 7.475 ( 8.427 -1.210 -3.390) 9.164 7.475 ( 8.427 -1.210 3.390) 9.164 7.673 ( 4.573 0.830 -2.686) 5.368 7.673 ( 4.573 0.830 2.686) 5.368 7.757 ( 4.577 10.653 -3.388) 12.079 7.757 ( 4.577 10.653 3.388) 12.079 8.214 ( 2.639 7.470 -5.207) 9.481 8.214 ( 2.639 7.470 5.207) 9.481 8.305 ( -6.479 6.991 -4.018) 10.344 8.305 ( -6.479 6.991 4.018) 10.344 8.912 ( 1.020 4.695 -3.788) 6.119 8.912 ( 1.020 4.695 3.788) 6.119 9.132 ( 1.652 13.637 -5.571) 14.823 9.132 ( 1.652 13.637 5.571) 14.823 9.477 ( -6.971 10.119 -1.075) 12.335 9.477 ( -6.971 10.119 1.075) 12.335 9.849 ( 5.567 13.298 -5.487) 15.425 9.849 ( 5.567 13.298 5.487) 15.425 10.022 ( -1.947 9.616 -2.440) 10.110 10.022 ( -1.947 9.616 2.440) 10.110 10.277 ( -4.478 7.702 -1.683) 9.067 10.277 ( -4.478 7.702 1.683) 9.067 10.589 ( 3.896 3.238 -6.709) 8.407 10.589 ( 3.896 3.238 6.709) 8.407 10.868 ( -4.283 -9.964 -4.909) 11.905 10.868 ( -4.283 -9.964 4.909) 11.905 11.070 ( -3.302 -16.330 -7.078) 18.102 11.070 ( -3.302 -16.330 7.078) 18.102 11.640 ( -0.166 -16.617 -2.854) 16.861 11.640 ( -0.166 -16.617 2.854) 16.861 11.890 ( -8.535 -2.519 -6.234) 10.865 11.890 ( -8.535 -2.519 6.234) 10.865 12.278 ( 0.510 12.085 -5.098) 13.126 12.278 ( 0.510 12.085 5.098) 13.126 12.436 ( 4.815 -4.340 -16.710) 17.923 12.436 ( 4.815 -4.340 16.710) 17.923 12.918 ( 6.204 10.169 -25.243) 27.912 12.918 ( 6.204 10.169 25.243) 27.912 13.435 ( -4.422 -3.881 -8.066) 9.984 13.435 ( -4.422 -3.881 8.066) 9.984 14.532 ( 10.072 4.308 -10.257) 15.007 14.532 ( 10.072 4.308 10.257) 15.007 15.232 ( -5.884 -4.126 -12.253) 14.205 15.232 ( -5.884 -4.126 12.253) 14.205 15.725 ( -0.587 -3.367 -3.729) 5.058 15.725 ( -0.587 -3.367 3.729) 5.058 15.758 ( -0.271 -3.943 -4.912) 6.304 15.758 ( -0.271 -3.943 4.912) 6.304 16.924 ( -0.252 -3.379 -4.654) 5.757 16.924 ( -0.252 -3.379 4.654) 5.757 17.040 ( -0.076 -5.503 -2.968) 6.253 17.040 ( -0.076 -5.503 2.968) 6.253 18.668 ( 3.509 -3.768 -30.403) 30.836 18.668 ( 3.509 -3.768 30.403) 30.836 19.817 ( -10.622 -18.776 -18.104) 28.162 19.817 ( -10.622 -18.776 18.104) 28.162 21.828 ( -1.809 12.700 -3.128) 13.204 21.828 ( -1.809 12.700 3.128) 13.204 21.941 ( -3.992 17.888 -1.706) 18.407 21.941 ( -3.992 17.888 1.706) 18.407 23.941 ( 4.584 -2.870 -6.092) 8.146 23.941 ( 4.584 -2.870 6.092) 8.146 24.645 ( 4.557 -20.585 -5.646) 21.827 24.645 ( 4.557 -20.585 5.646) 21.827 ======================= Grid point 184 (60/72) ======================= q-point: ( 0.40 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.667 ( 7.664 21.678 -3.801) 23.305 2.667 ( 7.664 21.678 3.801) 23.305 2.841 ( 7.789 20.283 -9.881) 23.869 2.841 ( 7.789 20.283 9.881) 23.869 3.124 ( -8.471 15.304 -5.969) 18.482 3.124 ( -8.471 15.304 5.969) 18.482 3.314 ( -13.592 14.664 -5.559) 20.753 3.314 ( -13.592 14.664 5.559) 20.753 3.920 ( -0.645 15.857 -1.264) 15.921 3.920 ( -0.645 15.857 1.264) 15.921 4.162 ( -0.601 7.151 -1.091) 7.259 4.162 ( -0.601 7.151 1.091) 7.259 4.741 ( 10.975 7.240 -4.798) 13.996 4.741 ( 10.975 7.240 4.798) 13.996 4.910 ( -4.197 11.234 -3.507) 12.494 4.910 ( -4.197 11.234 3.507) 12.494 5.102 ( 6.146 18.634 -10.375) 22.196 5.102 ( 6.146 18.634 10.375) 22.196 5.386 ( 0.752 18.446 -10.740) 21.358 5.386 ( 0.752 18.446 10.740) 21.358 5.723 ( 4.112 6.450 -5.654) 9.512 5.723 ( 4.112 6.450 5.654) 9.512 5.808 ( -5.868 15.204 -7.118) 17.783 5.808 ( -5.868 15.204 7.118) 17.783 6.257 ( 9.687 2.801 -6.914) 12.227 6.257 ( 9.687 2.801 6.914) 12.227 6.527 ( -12.821 6.592 -4.537) 15.113 6.527 ( -12.821 6.592 4.537) 15.113 6.952 ( -0.195 19.852 -2.445) 20.003 6.952 ( -0.195 19.852 2.445) 20.003 7.051 ( -1.183 -1.748 -3.359) 3.967 7.051 ( -1.183 -1.748 3.359) 3.967 7.622 ( 5.066 0.192 -1.916) 5.419 7.622 ( 5.066 0.192 1.916) 5.419 7.758 ( 2.363 0.429 -1.607) 2.889 7.758 ( 2.363 0.429 1.607) 2.889 7.877 ( 8.177 8.216 -4.052) 12.280 7.877 ( 8.177 8.216 4.052) 12.280 8.119 ( -9.712 6.124 -3.269) 11.938 8.119 ( -9.712 6.124 3.269) 11.938 8.294 ( 2.763 17.727 -1.969) 18.049 8.294 ( 2.763 17.727 1.969) 18.049 8.889 ( -2.291 3.786 -0.690) 4.479 8.889 ( -2.291 3.786 0.690) 4.479 9.218 ( 6.532 9.997 -1.039) 11.987 9.218 ( 6.532 9.997 1.039) 11.987 9.348 ( -6.304 4.428 -0.356) 7.712 9.348 ( -6.304 4.428 0.356) 7.712 9.919 ( 1.832 9.398 -1.060) 9.633 9.919 ( 1.832 9.398 1.060) 9.633 9.983 ( -2.587 15.499 -1.831) 15.819 9.983 ( -2.587 15.499 1.831) 15.819 10.218 ( -0.252 10.070 -3.582) 10.691 10.218 ( -0.252 10.070 3.582) 10.691 10.662 ( 2.739 2.822 -4.046) 5.642 10.662 ( 2.739 2.822 4.046) 5.642 10.762 ( -4.765 -3.360 -2.540) 6.360 10.762 ( -4.765 -3.360 2.540) 6.360 11.018 ( -1.642 -17.521 -2.769) 17.815 11.018 ( -1.642 -17.521 2.769) 17.815 11.643 ( 0.769 -17.500 -2.825) 17.743 11.643 ( 0.769 -17.500 2.825) 17.743 11.749 ( -4.884 -7.458 -4.085) 9.806 11.749 ( -4.884 -7.458 4.085) 9.806 12.288 ( 0.371 13.082 -2.534) 13.330 12.288 ( 0.371 13.082 2.534) 13.330 12.512 ( 2.366 -3.640 -6.189) 7.560 12.512 ( 2.366 -3.640 6.189) 7.560 13.028 ( 3.806 7.907 -9.497) 12.930 13.028 ( 3.806 7.907 9.497) 12.930 13.353 ( -2.977 -4.060 -4.131) 6.512 13.353 ( -2.977 -4.060 4.131) 6.512 14.775 ( 13.736 3.889 -11.977) 18.635 14.775 ( 13.736 3.889 11.977) 18.635 15.053 ( -11.944 -0.519 -12.537) 17.323 15.053 ( -11.944 -0.519 12.537) 17.323 15.726 ( 0.666 -3.237 -2.807) 4.336 15.726 ( 0.666 -3.237 2.807) 4.336 15.747 ( -0.797 -5.081 -4.055) 6.549 15.747 ( -0.797 -5.081 4.055) 6.549 16.919 ( -0.184 -3.798 -1.624) 4.135 16.919 ( -0.184 -3.798 1.624) 4.135 17.039 ( -0.030 -5.608 -1.076) 5.710 17.039 ( -0.030 -5.608 1.076) 5.710 18.743 ( 3.075 -4.482 -14.890) 15.851 18.743 ( 3.075 -4.482 14.890) 15.851 19.613 ( -7.395 -16.052 -11.171) 20.908 19.613 ( -7.395 -16.052 11.171) 20.908 21.811 ( 0.390 16.499 -4.098) 17.005 21.811 ( 0.390 16.499 4.098) 17.005 21.865 ( -3.169 19.793 -3.279) 20.312 21.865 ( -3.169 19.793 3.279) 20.312 24.011 ( 2.037 -7.010 -3.143) 7.947 24.011 ( 2.037 -7.010 3.143) 7.947 24.729 ( 2.838 -21.797 -2.157) 22.086 24.729 ( 2.838 -21.797 2.157) 22.086 ======================= Grid point 190 (61/72) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.961 ( 0.000 27.371 -2.467) 27.482 2.961 ( 0.000 27.371 2.467) 27.482 3.182 ( 0.000 20.667 -5.469) 21.378 3.182 ( 0.000 20.667 5.469) 21.378 3.563 ( 0.000 14.900 -4.205) 15.482 3.563 ( 0.000 14.900 4.205) 15.482 4.105 ( 0.000 4.082 -2.563) 4.820 4.105 ( 0.000 4.082 2.563) 4.820 4.142 ( 0.000 5.849 -6.264) 8.570 4.142 ( 0.000 5.849 6.264) 8.570 4.393 ( 0.000 12.833 -7.613) 14.921 4.393 ( 0.000 12.833 7.613) 14.921 4.547 ( 0.000 7.473 -0.546) 7.493 4.547 ( 0.000 7.473 0.546) 7.493 4.908 ( 0.000 12.790 -12.342) 17.774 4.908 ( 0.000 12.790 12.342) 17.774 5.357 ( 0.000 2.375 -1.457) 2.786 5.357 ( 0.000 2.375 1.457) 2.786 5.534 ( 0.000 6.624 -22.278) 23.242 5.534 ( 0.000 6.624 22.278) 23.242 5.745 ( 0.000 17.542 -11.454) 20.950 5.745 ( 0.000 17.542 11.454) 20.950 6.042 ( 0.000 -0.150 -5.204) 5.206 6.042 ( 0.000 -0.150 5.204) 5.206 6.343 ( 0.000 14.533 -17.706) 22.907 6.343 ( 0.000 14.533 17.706) 22.907 6.741 ( 0.000 2.410 -9.027) 9.343 6.741 ( 0.000 2.410 9.027) 9.343 7.224 ( 0.000 -1.493 -4.229) 4.485 7.224 ( 0.000 -1.493 4.229) 4.485 7.290 ( 0.000 -2.881 -1.961) 3.485 7.290 ( 0.000 -2.881 1.961) 3.485 7.352 ( 0.000 7.949 -4.642) 9.205 7.352 ( 0.000 7.949 4.642) 9.205 7.698 ( 0.000 8.784 -7.448) 11.517 7.698 ( 0.000 8.784 7.448) 11.517 7.951 ( 0.000 8.892 -9.136) 12.749 7.951 ( 0.000 8.892 9.136) 12.749 8.332 ( 0.000 11.174 -6.056) 12.709 8.332 ( 0.000 11.174 6.056) 12.709 8.490 ( 0.000 4.237 -10.960) 11.750 8.490 ( 0.000 4.237 10.960) 11.750 9.010 ( 0.000 7.969 -5.243) 9.539 9.010 ( 0.000 7.969 5.243) 9.539 9.401 ( 0.000 10.431 -8.087) 13.199 9.401 ( 0.000 10.431 8.087) 13.199 9.838 ( 0.000 1.600 -2.894) 3.307 9.838 ( 0.000 1.600 2.894) 3.307 9.972 ( 0.000 13.194 -2.325) 13.397 9.972 ( 0.000 13.194 2.325) 13.397 10.170 ( 0.000 5.749 -1.123) 5.857 10.170 ( 0.000 5.749 1.123) 5.857 10.330 ( 0.000 -18.366 -2.211) 18.498 10.330 ( 0.000 -18.366 2.211) 18.498 10.575 ( 0.000 3.917 -0.700) 3.979 10.575 ( 0.000 3.917 0.700) 3.979 10.699 ( 0.000 10.460 -2.145) 10.678 10.699 ( 0.000 10.460 2.145) 10.678 10.970 ( 0.000 -1.019 -14.362) 14.398 10.970 ( 0.000 -1.019 14.362) 14.398 11.501 ( 0.000 3.242 -4.974) 5.937 11.501 ( 0.000 3.242 4.974) 5.937 12.086 ( 0.000 -6.282 -11.183) 12.827 12.086 ( 0.000 -6.282 11.183) 12.827 12.162 ( 0.000 2.395 -5.543) 6.038 12.162 ( 0.000 2.395 5.543) 6.038 12.567 ( 0.000 10.547 -9.765) 14.374 12.567 ( 0.000 10.547 9.765) 14.374 13.084 ( 0.000 11.658 -30.321) 32.485 13.084 ( 0.000 11.658 30.321) 32.485 13.408 ( 0.000 -3.989 -7.252) 8.277 13.408 ( 0.000 -3.989 7.252) 8.277 14.528 ( 0.000 6.533 -5.416) 8.486 14.528 ( 0.000 6.533 5.416) 8.486 15.172 ( 0.000 -5.188 -13.345) 14.318 15.172 ( 0.000 -5.188 13.345) 14.318 15.536 ( 0.000 -13.475 -9.378) 16.417 15.536 ( 0.000 -13.475 9.378) 16.417 15.610 ( 0.000 -10.631 -1.519) 10.739 15.610 ( 0.000 -10.631 1.519) 10.739 17.019 ( 0.000 8.747 -12.424) 15.195 17.019 ( 0.000 8.747 12.424) 15.195 17.040 ( 0.000 4.068 -5.632) 6.947 17.040 ( 0.000 4.068 5.632) 6.947 18.559 ( 0.000 -3.330 -30.056) 30.240 18.559 ( 0.000 -3.330 30.056) 30.240 19.523 ( 0.000 -21.086 -19.875) 28.976 19.523 ( 0.000 -21.086 19.875) 28.976 21.917 ( 0.000 -0.914 -2.258) 2.436 21.917 ( 0.000 -0.914 2.258) 2.436 22.255 ( 0.000 9.286 -0.048) 9.286 22.255 ( 0.000 9.286 0.048) 9.286 23.910 ( 0.000 1.230 -0.654) 1.392 23.910 ( 0.000 1.230 0.654) 1.392 24.235 ( 0.000 -16.181 -4.052) 16.681 24.235 ( 0.000 -16.181 4.052) 16.681 ======================= Grid point 192 (62/72) ======================= q-point: ( 0.20 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.997 ( 3.613 25.543 -5.021) 26.281 2.997 ( 3.613 25.543 5.021) 26.281 3.188 ( 0.626 19.371 -2.876) 19.594 3.188 ( 0.626 19.371 2.876) 19.594 3.514 ( -4.554 13.910 -4.139) 15.210 3.514 ( -4.554 13.910 4.139) 15.210 3.887 ( -13.355 11.334 -7.008) 18.866 3.887 ( -13.355 11.334 7.008) 18.866 4.244 ( 0.554 9.282 -4.676) 10.408 4.244 ( 0.554 9.282 4.676) 10.408 4.318 ( -2.072 10.609 -4.349) 11.651 4.318 ( -2.072 10.609 4.349) 11.651 4.628 ( 7.950 5.438 -3.541) 10.262 4.628 ( 7.950 5.438 3.541) 10.262 5.075 ( 10.902 10.390 -6.300) 16.325 5.075 ( 10.902 10.390 6.300) 16.325 5.296 ( -4.435 1.952 -1.085) 4.966 5.296 ( -4.435 1.952 1.085) 4.966 5.569 ( 3.536 4.869 -21.875) 22.688 5.569 ( 3.536 4.869 21.875) 22.688 5.799 ( 5.271 17.515 -9.644) 20.678 5.799 ( 5.271 17.515 9.644) 20.678 6.115 ( 6.075 2.240 -3.837) 7.526 6.115 ( 6.075 2.240 3.837) 7.526 6.276 ( -5.775 13.706 -15.292) 21.332 6.276 ( -5.775 13.706 15.292) 21.332 6.700 ( -4.751 -1.250 -8.161) 9.525 6.700 ( -4.751 -1.250 8.161) 9.525 7.121 ( -6.268 1.618 -3.965) 7.591 7.121 ( -6.268 1.618 3.965) 7.591 7.265 ( -3.892 4.861 -5.642) 8.403 7.265 ( -3.892 4.861 5.642) 8.403 7.453 ( 8.795 0.558 -2.835) 9.258 7.453 ( 8.795 0.558 2.835) 9.258 7.758 ( 5.379 8.423 -7.379) 12.423 7.758 ( 5.379 8.423 7.379) 12.423 7.982 ( 2.717 9.371 -7.682) 12.418 7.982 ( 2.717 9.371 7.682) 12.418 8.350 ( -1.296 6.525 -9.136) 11.301 8.350 ( -1.296 6.525 9.136) 11.301 8.515 ( 4.953 10.948 -9.006) 15.017 8.515 ( 4.953 10.948 9.006) 15.017 9.025 ( 0.927 7.216 -3.586) 8.111 9.025 ( 0.927 7.216 3.586) 8.111 9.378 ( -1.538 9.355 -5.993) 11.216 9.378 ( -1.538 9.355 5.993) 11.216 9.694 ( -10.610 9.891 -3.593) 14.943 9.694 ( -10.610 9.891 3.593) 14.943 9.976 ( -1.366 1.222 -3.724) 4.150 9.976 ( -1.366 1.222 3.724) 4.150 10.251 ( 6.360 6.017 -4.104) 9.669 10.251 ( 6.360 6.017 4.104) 9.669 10.329 ( -0.331 -15.120 -4.758) 15.855 10.329 ( -0.331 -15.120 4.758) 15.855 10.596 ( 1.704 4.285 -2.059) 5.051 10.596 ( 1.704 4.285 2.059) 5.051 10.633 ( -5.557 6.011 -2.376) 8.524 10.633 ( -5.557 6.011 2.376) 8.524 10.971 ( -0.233 4.541 -15.018) 15.691 10.971 ( -0.233 4.541 15.018) 15.691 11.478 ( -1.625 1.037 -4.314) 4.725 11.478 ( -1.625 1.037 4.314) 4.725 11.888 ( -11.380 -1.057 -8.326) 14.140 11.888 ( -11.380 -1.057 8.326) 14.140 12.338 ( 9.073 -1.384 -7.859) 12.083 12.338 ( 9.073 -1.384 7.859) 12.083 12.548 ( -1.578 10.029 -6.294) 11.945 12.548 ( -1.578 10.029 6.294) 11.945 13.122 ( 3.417 10.215 -25.127) 27.338 13.122 ( 3.417 10.215 25.127) 27.338 13.371 ( -3.304 -2.544 -8.794) 9.732 13.371 ( -3.304 -2.544 8.794) 9.732 14.626 ( 9.160 5.603 -7.760) 13.248 14.626 ( 9.160 5.603 7.760) 13.248 15.148 ( -2.876 -3.822 -13.256) 14.092 15.148 ( -2.876 -3.822 13.256) 14.092 15.533 ( -0.175 -13.388 -8.663) 15.948 15.533 ( -0.175 -13.388 8.663) 15.948 15.593 ( -1.550 -11.196 -3.011) 11.696 15.593 ( -1.550 -11.196 3.011) 11.696 17.014 ( -0.474 8.820 -9.730) 13.141 17.014 ( -0.474 8.820 9.730) 13.141 17.037 ( -0.265 3.860 -4.690) 6.080 17.037 ( -0.265 3.860 4.690) 6.080 18.588 ( 2.793 -3.743 -27.170) 27.569 18.588 ( 2.793 -3.743 27.170) 27.569 19.438 ( -7.663 -19.288 -19.851) 28.719 19.438 ( -7.663 -19.288 19.851) 28.719 21.940 ( 2.336 0.755 -2.528) 3.524 21.940 ( 2.336 0.755 2.528) 3.524 22.219 ( -3.396 8.977 -0.990) 9.648 22.219 ( -3.396 8.977 0.990) 9.648 23.908 ( -0.054 -1.050 -2.391) 2.612 23.908 ( -0.054 -1.050 2.391) 2.612 24.283 ( 4.173 -15.818 -3.315) 16.692 24.283 ( 4.173 -15.818 3.315) 16.692 ======================= Grid point 194 (63/72) ======================= q-point: ( 0.40 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.078 ( 3.294 20.252 -6.594) 21.552 3.078 ( 3.294 20.252 6.594) 21.552 3.210 ( 1.585 16.096 -6.220) 17.328 3.210 ( 1.585 16.096 6.220) 17.328 3.427 ( -3.215 16.285 -3.496) 16.964 3.427 ( -3.215 16.285 3.496) 16.964 3.651 ( -8.624 18.559 -3.450) 20.754 3.651 ( -8.624 18.559 3.450) 20.754 4.238 ( 0.308 15.870 -1.748) 15.969 4.238 ( 0.308 15.870 1.748) 15.969 4.306 ( -0.551 7.265 -1.132) 7.373 4.306 ( -0.551 7.265 1.132) 7.373 4.820 ( 10.440 1.918 -3.140) 11.070 4.820 ( 10.440 1.918 3.140) 11.070 5.055 ( -9.020 3.905 -2.664) 10.184 5.055 ( -9.020 3.905 2.664) 10.184 5.354 ( 5.383 6.224 -1.745) 8.412 5.354 ( 5.383 6.224 1.745) 8.412 5.658 ( 4.420 6.315 -14.706) 16.603 5.658 ( 4.420 6.315 14.706) 16.603 5.917 ( 5.819 14.614 -4.221) 16.286 5.917 ( 5.819 14.614 4.221) 16.286 6.089 ( -7.488 12.122 -10.458) 17.675 6.089 ( -7.488 12.122 10.458) 17.675 6.313 ( 8.918 4.033 -1.180) 9.858 6.313 ( 8.918 4.033 1.180) 9.858 6.550 ( -9.635 -2.425 -4.469) 10.895 6.550 ( -9.635 -2.425 4.469) 10.895 7.032 ( -2.400 3.543 -2.161) 4.794 7.032 ( -2.400 3.543 2.161) 4.794 7.202 ( -1.851 5.542 -2.427) 6.327 7.202 ( -1.851 5.542 2.427) 6.327 7.614 ( 5.987 0.870 -1.848) 6.326 7.614 ( 5.987 0.870 1.848) 6.326 7.843 ( 1.673 7.047 -2.592) 7.693 7.843 ( 1.673 7.047 2.592) 7.693 8.063 ( 6.210 8.816 -8.289) 13.601 8.063 ( 6.210 8.816 8.289) 13.601 8.251 ( -7.257 6.539 -9.336) 13.512 8.251 ( -7.257 6.539 9.336) 13.512 8.670 ( 8.003 16.435 -3.833) 18.678 8.670 ( 8.003 16.435 3.833) 18.678 8.999 ( -3.826 6.187 -0.078) 7.275 8.999 ( -3.826 6.187 0.078) 7.275 9.384 ( 2.283 7.256 -0.488) 7.622 9.384 ( 2.283 7.256 0.488) 7.622 9.518 ( -6.173 11.873 -3.803) 13.912 9.518 ( -6.173 11.873 3.803) 13.912 9.935 ( -1.925 -0.425 -5.634) 5.969 9.935 ( -1.925 -0.425 5.634) 5.969 10.297 ( -1.108 -0.991 -4.124) 4.383 10.297 ( -1.108 -0.991 4.124) 4.383 10.380 ( 5.322 -9.508 -5.982) 12.430 10.380 ( 5.322 -9.508 5.982) 12.431 10.491 ( -6.550 -8.097 -4.376) 11.296 10.491 ( -6.550 -8.097 4.376) 11.296 10.675 ( 3.914 16.257 -3.050) 16.998 10.675 ( 3.914 16.257 3.050) 16.998 10.941 ( -2.523 9.352 -8.342) 12.784 10.941 ( -2.523 9.352 8.342) 12.784 11.478 ( 1.857 -1.956 -1.128) 2.923 11.478 ( 1.857 -1.956 1.128) 2.923 11.697 ( -7.194 0.440 -4.863) 8.694 11.697 ( -7.194 0.440 4.863) 8.694 12.466 ( 3.723 -0.633 -4.748) 6.067 12.466 ( 3.723 -0.633 4.748) 6.067 12.522 ( -0.905 8.541 -3.309) 9.204 12.522 ( -0.905 8.541 3.309) 9.204 13.192 ( 3.149 8.274 -14.071) 16.624 13.192 ( 3.149 8.274 14.071) 16.624 13.303 ( -3.059 -0.564 -8.742) 9.279 13.303 ( -3.059 -0.564 8.742) 9.279 14.839 ( 11.626 3.118 -10.630) 16.059 14.839 ( 11.626 3.118 10.630) 16.059 15.042 ( -8.202 -0.003 -12.422) 14.886 15.042 ( -8.202 -0.003 12.422) 14.886 15.537 ( 0.694 -13.215 -7.252) 15.090 15.537 ( 0.694 -13.215 7.252) 15.090 15.560 ( -1.586 -12.513 -5.585) 13.794 15.560 ( -1.586 -12.513 5.585) 13.794 17.005 ( -0.298 8.936 -3.572) 9.629 17.005 ( -0.298 8.936 3.572) 9.629 17.032 ( -0.169 3.520 -1.893) 4.000 17.032 ( -0.169 3.520 1.893) 4.000 18.647 ( 2.419 -4.618 -13.368) 14.349 18.647 ( 2.419 -4.618 13.368) 14.349 19.292 ( -5.308 -16.255 -11.053) 20.361 19.292 ( -5.308 -16.255 11.053) 20.361 21.999 ( 3.088 3.574 -2.174) 5.200 21.999 ( 3.088 3.574 2.174) 5.200 22.142 ( -3.717 8.093 -1.598) 9.048 22.142 ( -3.717 8.093 1.598) 9.048 23.909 ( 0.103 -3.617 -1.223) 3.819 23.909 ( 0.103 -3.617 1.223) 3.819 24.355 ( 2.323 -16.048 -1.213) 16.261 24.355 ( 2.323 -16.048 1.213) 16.261 ======================= Grid point 200 (64/72) ======================= q-point: ( 0.00 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.430 ( 0.000 9.966 -1.632) 10.099 3.430 ( 0.000 9.966 1.632) 10.099 3.460 ( 0.000 19.583 -0.458) 19.589 3.460 ( 0.000 19.583 0.458) 19.589 3.908 ( 0.000 17.780 -6.045) 18.780 3.908 ( 0.000 17.780 6.045) 18.780 4.148 ( 0.000 -0.036 -6.239) 6.239 4.148 ( 0.000 -0.036 6.239) 6.239 4.249 ( 0.000 5.927 -1.543) 6.125 4.249 ( 0.000 5.927 1.543) 6.125 4.593 ( 0.000 7.746 -0.310) 7.752 4.593 ( 0.000 7.746 0.310) 7.752 4.702 ( 0.000 7.957 -2.235) 8.265 4.702 ( 0.000 7.957 2.235) 8.265 5.118 ( 0.000 8.804 -13.407) 16.039 5.118 ( 0.000 8.804 13.407) 16.039 5.293 ( 0.000 -6.097 -2.451) 6.571 5.293 ( 0.000 -6.097 2.451) 6.571 5.547 ( 0.000 -3.060 -15.968) 16.259 5.547 ( 0.000 -3.060 15.968) 16.259 5.980 ( 0.000 2.994 -1.183) 3.220 5.980 ( 0.000 2.994 1.183) 3.220 6.201 ( 0.000 13.711 -16.961) 21.810 6.201 ( 0.000 13.711 16.961) 21.810 6.530 ( 0.000 7.722 -14.015) 16.001 6.530 ( 0.000 7.722 14.015) 16.001 6.866 ( 0.000 7.361 -5.542) 9.214 6.866 ( 0.000 7.361 5.542) 9.214 7.181 ( 0.000 -0.015 -8.134) 8.134 7.181 ( 0.000 -0.015 8.134) 8.134 7.264 ( 0.000 1.393 -3.054) 3.357 7.264 ( 0.000 1.393 3.054) 3.357 7.478 ( 0.000 4.551 -6.877) 8.247 7.478 ( 0.000 4.551 6.877) 8.247 7.887 ( 0.000 8.927 -9.959) 13.375 7.887 ( 0.000 8.927 9.959) 13.375 8.068 ( 0.000 3.743 -16.460) 16.880 8.068 ( 0.000 3.743 16.460) 16.880 8.446 ( 0.000 -3.255 -11.588) 12.037 8.446 ( 0.000 -3.255 11.588) 12.037 8.622 ( 0.000 12.679 -3.943) 13.278 8.622 ( 0.000 12.679 3.943) 13.278 9.159 ( 0.000 5.411 -2.692) 6.044 9.159 ( 0.000 5.411 2.692) 6.044 9.501 ( 0.000 2.429 -0.017) 2.429 9.501 ( 0.000 2.429 0.017) 2.429 9.773 ( 0.000 -14.529 -0.750) 14.549 9.773 ( 0.000 -14.529 0.750) 14.549 9.874 ( 0.000 -9.219 -5.808) 10.896 9.874 ( 0.000 -9.219 5.808) 10.896 10.021 ( 0.000 -3.515 -4.808) 5.956 10.021 ( 0.000 -3.515 4.808) 5.956 10.463 ( 0.000 14.527 -2.966) 14.827 10.463 ( 0.000 14.527 2.966) 14.827 10.756 ( 0.000 3.591 -6.742) 7.639 10.756 ( 0.000 3.591 6.742) 7.639 10.923 ( 0.000 16.789 -3.801) 17.214 10.923 ( 0.000 16.789 3.801) 17.214 11.078 ( 0.000 8.731 -15.966) 18.197 11.078 ( 0.000 8.731 15.966) 18.197 11.743 ( 0.000 14.718 -1.883) 14.838 11.743 ( 0.000 14.718 1.883) 14.838 11.874 ( 0.000 -6.135 -8.336) 10.351 11.874 ( 0.000 -6.135 8.336) 10.351 12.284 ( 0.000 6.178 -2.032) 6.504 12.284 ( 0.000 6.178 2.032) 6.504 12.700 ( 0.000 3.053 -1.196) 3.279 12.700 ( 0.000 3.053 1.196) 3.279 13.274 ( 0.000 6.880 -20.095) 21.240 13.274 ( 0.000 6.880 20.095) 21.240 13.323 ( 0.000 -4.845 -3.886) 6.211 13.323 ( 0.000 -4.845 3.886) 6.211 14.682 ( 0.000 8.709 -5.417) 10.256 14.682 ( 0.000 8.709 5.417) 10.256 15.093 ( 0.000 -3.304 -15.092) 15.450 15.093 ( 0.000 -3.304 15.092) 15.450 15.298 ( 0.000 -9.466 -14.812) 17.578 15.298 ( 0.000 -9.466 14.812) 17.578 15.408 ( 0.000 -8.706 -2.647) 9.099 15.408 ( 0.000 -8.706 2.647) 9.100 17.129 ( 0.000 4.604 -1.466) 4.832 17.129 ( 0.000 4.604 1.466) 4.832 17.197 ( 0.000 7.977 -14.176) 16.266 17.197 ( 0.000 7.977 14.176) 16.266 18.523 ( 0.000 -0.119 -21.161) 21.162 18.523 ( 0.000 -0.119 21.161) 21.162 19.141 ( 0.000 -17.432 -19.100) 25.859 19.141 ( 0.000 -17.432 19.100) 25.859 21.871 ( 0.000 -2.998 -2.408) 3.845 21.871 ( 0.000 -2.998 2.408) 3.845 22.321 ( 0.000 -1.786 -1.468) 2.312 22.321 ( 0.000 -1.786 1.468) 2.312 23.907 ( 0.000 -2.735 -0.805) 2.851 23.907 ( 0.000 -2.735 0.805) 2.851 23.996 ( 0.000 -7.056 -0.802) 7.101 23.996 ( 0.000 -7.056 0.802) 7.101 ======================= Grid point 202 (65/72) ======================= q-point: ( 0.20 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.412 ( -0.497 11.460 -4.811) 12.439 3.412 ( -0.497 11.460 4.811) 12.439 3.497 ( 2.146 18.760 -1.517) 18.944 3.497 ( 2.146 18.760 1.517) 18.944 3.802 ( -7.204 13.252 -4.856) 15.846 3.802 ( -7.204 13.252 4.856) 15.846 4.108 ( -4.980 11.230 -6.252) 13.784 4.108 ( -4.980 11.230 6.252) 13.784 4.327 ( 5.650 1.026 -2.176) 6.141 4.327 ( 5.650 1.026 2.176) 6.141 4.546 ( -2.679 10.482 -4.046) 11.550 4.546 ( -2.679 10.482 4.046) 11.550 4.738 ( 3.646 5.654 -3.340) 7.511 4.738 ( 3.646 5.654 3.340) 7.511 5.202 ( -1.216 -0.425 -3.278) 3.522 5.202 ( -1.216 -0.425 3.278) 3.522 5.258 ( 4.112 -0.215 -5.165) 6.606 5.258 ( 4.112 -0.215 5.165) 6.606 5.571 ( 3.247 -2.454 -17.957) 18.413 5.571 ( 3.247 -2.454 17.957) 18.413 6.056 ( 6.332 3.555 -1.774) 7.475 6.056 ( 6.332 3.555 1.774) 7.475 6.221 ( 1.547 9.250 -13.606) 16.525 6.221 ( 1.547 9.250 13.606) 16.525 6.504 ( -2.870 10.785 -11.781) 16.228 6.504 ( -2.870 10.785 11.781) 16.228 6.723 ( -10.387 3.342 -6.265) 12.582 6.723 ( -10.387 3.342 6.265) 12.582 7.172 ( -1.719 5.657 -9.254) 10.982 7.172 ( -1.719 5.657 9.254) 10.982 7.331 ( 1.813 3.138 -5.009) 6.183 7.331 ( 1.813 3.138 5.009) 6.183 7.500 ( 5.943 3.070 -3.678) 7.634 7.500 ( 5.943 3.070 3.678) 7.634 7.928 ( 3.311 7.283 -10.064) 12.857 7.928 ( 3.311 7.283 10.064) 12.857 8.100 ( 2.775 3.220 -13.455) 14.110 8.100 ( 2.775 3.220 13.455) 14.110 8.414 ( -2.911 -1.059 -13.542) 13.892 8.414 ( -2.911 -1.059 13.542) 13.892 8.713 ( 8.009 10.389 -6.308) 14.555 8.713 ( 8.009 10.389 6.308) 14.555 9.157 ( -0.612 4.559 -0.857) 4.679 9.157 ( -0.612 4.559 0.857) 4.679 9.478 ( -1.356 2.548 -1.375) 3.198 9.478 ( -1.356 2.548 1.375) 3.198 9.735 ( -2.781 -7.177 -3.634) 8.512 9.735 ( -2.781 -7.177 3.634) 8.512 9.909 ( 2.497 -12.207 -7.296) 14.439 9.909 ( 2.497 -12.207 7.296) 14.439 10.017 ( -0.064 -0.797 -4.258) 4.333 10.017 ( -0.064 -0.797 4.258) 4.333 10.359 ( -8.834 7.928 -2.843) 12.205 10.359 ( -8.834 7.928 2.843) 12.205 10.669 ( -8.501 0.673 -6.563) 10.761 10.669 ( -8.501 0.673 6.563) 10.761 10.990 ( 5.604 20.736 -4.357) 21.917 10.990 ( 5.604 20.736 4.357) 21.917 11.138 ( 5.989 9.449 -14.975) 18.693 11.138 ( 5.989 9.449 14.975) 18.693 11.616 ( -9.683 6.335 -11.521) 16.329 11.616 ( -9.683 6.335 11.521) 16.329 11.856 ( -3.416 4.225 -7.687) 9.413 11.856 ( -3.416 4.225 7.687) 9.413 12.367 ( 6.901 3.787 -2.789) 8.351 12.367 ( 6.901 3.787 2.789) 8.351 12.669 ( -2.754 2.724 -2.027) 4.372 12.669 ( -2.754 2.724 2.027) 4.372 13.287 ( 0.990 5.579 -18.691) 19.531 13.287 ( 0.990 5.579 18.691) 19.531 13.326 ( 0.395 -2.307 -7.154) 7.527 13.326 ( 0.395 -2.307 7.154) 7.527 14.755 ( 6.811 7.180 -5.295) 11.224 14.755 ( 6.811 7.180 5.295) 11.224 15.092 ( -0.338 -2.393 -14.073) 14.279 15.092 ( -0.338 -2.393 14.073) 14.279 15.294 ( -0.337 -9.592 -13.916) 16.905 15.294 ( -0.337 -9.592 13.916) 16.905 15.382 ( -2.519 -8.977 -2.906) 9.767 15.382 ( -2.519 -8.977 2.906) 9.767 17.127 ( -0.177 4.766 -1.515) 5.004 17.127 ( -0.177 4.766 1.515) 5.004 17.189 ( -0.725 7.722 -11.824) 14.141 17.189 ( -0.725 7.722 11.824) 14.141 18.543 ( 1.959 -0.563 -19.287) 19.394 18.543 ( 1.959 -0.563 19.287) 19.394 19.091 ( -4.579 -15.781 -18.002) 24.374 19.091 ( -4.579 -15.781 18.002) 24.374 21.909 ( 3.719 -2.881 -2.437) 5.298 21.909 ( 3.719 -2.881 2.437) 5.298 22.281 ( -3.947 -1.925 -1.710) 4.712 22.281 ( -3.947 -1.925 1.710) 4.712 23.880 ( -1.590 -2.204 -0.369) 2.743 23.880 ( -1.590 -2.204 0.369) 2.743 24.048 ( 3.760 -8.221 -0.369) 9.048 24.048 ( 3.760 -8.221 0.369) 9.048 ======================= Grid point 204 (66/72) ======================= q-point: ( 0.40 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.427 ( 2.042 13.633 -6.462) 15.225 3.427 ( 2.042 13.633 6.462) 15.225 3.495 ( -2.690 15.428 -5.903) 16.737 3.495 ( -2.690 15.428 5.903) 16.737 3.731 ( 0.292 13.719 -1.320) 13.785 3.731 ( 0.292 13.719 1.320) 13.785 3.986 ( -5.482 15.067 -3.559) 16.423 3.986 ( -5.482 15.067 3.559) 16.423 4.410 ( 2.350 3.855 -1.320) 4.704 4.410 ( 2.350 3.855 1.320) 4.704 4.521 ( -0.298 11.092 -2.373) 11.347 4.521 ( -0.298 11.092 2.373) 11.347 4.839 ( 6.000 0.714 -2.744) 6.636 4.839 ( 6.000 0.714 2.744) 6.636 5.060 ( -7.873 -3.008 -2.865) 8.902 5.060 ( -7.873 -3.008 2.865) 8.902 5.397 ( 4.375 -0.101 -0.438) 4.398 5.397 ( 4.375 -0.101 0.438) 4.398 5.679 ( 6.334 -2.466 -13.611) 15.214 5.679 ( 6.334 -2.466 13.611) 15.214 6.155 ( 2.348 5.514 -5.645) 8.233 6.155 ( 2.348 5.514 5.645) 8.233 6.211 ( -3.124 3.405 -7.051) 8.430 6.211 ( -3.124 3.405 7.051) 8.430 6.460 ( 0.997 10.081 -6.801) 12.201 6.460 ( 0.997 10.081 6.801) 12.201 6.562 ( -5.837 5.242 -7.851) 11.099 6.562 ( -5.837 5.242 7.851) 11.099 7.151 ( -0.211 8.183 -5.207) 9.701 7.151 ( -0.211 8.183 5.207) 9.701 7.298 ( -2.342 5.063 -4.001) 6.865 7.298 ( -2.342 5.063 4.001) 6.865 7.674 ( 7.779 4.943 -3.138) 9.736 7.674 ( 7.779 4.943 3.138) 9.736 7.959 ( -0.850 3.739 -2.288) 4.466 7.959 ( -0.850 3.739 2.288) 4.466 8.177 ( 5.256 2.331 -11.914) 13.229 8.177 ( 5.256 2.331 11.914) 13.229 8.331 ( -5.352 0.927 -12.487) 13.618 8.331 ( -5.352 0.927 12.487) 13.618 8.889 ( 9.300 7.057 -1.968) 11.839 8.889 ( 9.300 7.057 1.968) 11.839 9.087 ( -6.968 2.463 -2.753) 7.886 9.087 ( -6.968 2.463 2.753) 7.886 9.517 ( 5.121 5.939 -2.043) 8.104 9.517 ( 5.121 5.939 2.043) 8.104 9.684 ( -2.398 1.627 -6.260) 6.898 9.684 ( -2.398 1.627 6.260) 6.898 9.946 ( 1.551 -8.232 -7.487) 11.235 9.946 ( 1.551 -8.232 7.487) 11.235 10.003 ( -3.006 2.329 -5.831) 6.961 10.003 ( -3.006 2.329 5.831) 6.961 10.223 ( -2.240 -6.343 -0.609) 6.754 10.223 ( -2.240 -6.343 0.609) 6.754 10.481 ( -8.129 -0.739 -4.666) 9.402 10.481 ( -8.129 -0.739 4.666) 9.402 11.126 ( 7.836 18.435 -1.704) 20.103 11.126 ( 7.836 18.435 1.704) 20.103 11.234 ( 0.423 18.623 -12.067) 22.195 11.234 ( 0.423 18.623 12.067) 22.195 11.455 ( -4.566 -1.349 -10.303) 11.350 11.455 ( -4.566 -1.349 10.303) 11.350 11.762 ( -4.388 7.836 -4.443) 10.020 11.762 ( -4.388 7.836 4.443) 10.020 12.493 ( 5.022 3.211 -3.868) 7.106 12.493 ( 5.022 3.211 3.868) 7.106 12.611 ( -2.854 1.804 -3.377) 4.775 12.611 ( -2.854 1.804 3.377) 4.775 13.300 ( 0.259 1.837 -7.587) 7.811 13.300 ( 0.259 1.837 7.587) 7.811 13.337 ( 0.454 3.017 -3.915) 4.963 13.337 ( 0.454 3.017 3.915) 4.963 14.905 ( 7.058 3.378 -5.322) 9.463 14.905 ( 7.058 3.378 5.322) 9.463 15.064 ( -2.712 1.808 -9.353) 9.904 15.064 ( -2.712 1.808 9.353) 9.904 15.291 ( 0.234 -10.658 -9.774) 14.463 15.291 ( 0.234 -10.658 9.774) 14.463 15.327 ( -2.446 -9.738 -4.386) 10.957 15.327 ( -2.446 -9.738 4.386) 10.957 17.124 ( -0.092 5.073 -0.890) 5.151 17.124 ( -0.092 5.073 0.890) 5.151 17.175 ( -0.477 7.270 -4.842) 8.748 17.175 ( -0.477 7.270 4.842) 8.748 18.585 ( 1.673 -1.495 -9.636) 9.893 18.585 ( 1.673 -1.495 9.636) 9.893 19.003 ( -3.243 -12.968 -9.361) 16.319 19.003 ( -3.243 -12.968 9.361) 16.319 21.997 ( 4.283 -2.485 -1.850) 5.286 21.997 ( 4.283 -2.485 1.850) 5.286 22.189 ( -4.433 -2.323 -1.594) 5.252 22.189 ( -4.433 -2.323 1.594) 5.252 23.860 ( -0.453 -1.661 -0.104) 1.724 23.860 ( -0.453 -1.661 0.104) 1.724 24.106 ( 1.764 -9.766 -0.104) 9.925 24.106 ( 1.764 -9.766 0.104) 9.925 ======================= Grid point 210 (67/72) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.518 ( 0.000 2.197 -0.929) 2.385 3.518 ( 0.000 2.197 0.929) 2.385 3.811 ( 0.000 13.294 -2.144) 13.466 3.811 ( 0.000 13.294 2.144) 13.466 4.120 ( 0.000 -1.982 -4.176) 4.622 4.120 ( 0.000 -1.982 4.176) 4.622 4.137 ( 0.000 4.995 -3.700) 6.216 4.137 ( 0.000 4.995 3.700) 6.216 4.428 ( 0.000 12.706 -0.081) 12.706 4.428 ( 0.000 12.706 0.081) 12.706 4.708 ( 0.000 3.496 -1.001) 3.637 4.708 ( 0.000 3.496 1.001) 3.637 4.813 ( 0.000 2.825 -1.699) 3.296 4.813 ( 0.000 2.825 1.699) 3.296 5.156 ( 0.000 -6.501 -4.082) 7.677 5.156 ( 0.000 -6.501 4.082) 7.677 5.261 ( 0.000 5.256 -12.927) 13.954 5.261 ( 0.000 5.256 12.927) 13.954 5.453 ( 0.000 -5.431 -16.468) 17.341 5.453 ( 0.000 -5.431 16.468) 17.341 6.044 ( 0.000 3.698 -2.169) 4.287 6.044 ( 0.000 3.698 2.169) 4.287 6.330 ( 0.000 1.365 -4.684) 4.879 6.330 ( 0.000 1.365 4.684) 4.879 6.715 ( 0.000 8.598 -1.761) 8.777 6.715 ( 0.000 8.598 1.761) 8.777 6.951 ( 0.000 2.352 -3.413) 4.145 6.951 ( 0.000 2.352 3.413) 4.145 7.211 ( 0.000 1.520 -0.739) 1.690 7.211 ( 0.000 1.520 0.739) 1.690 7.363 ( 0.000 7.698 -10.135) 12.727 7.363 ( 0.000 7.698 10.135) 12.727 7.533 ( 0.000 0.896 -2.474) 2.631 7.533 ( 0.000 0.896 2.474) 2.631 8.013 ( 0.000 4.119 -1.208) 4.292 8.013 ( 0.000 4.119 1.208) 4.292 8.101 ( 0.000 -0.119 -9.824) 9.824 8.101 ( 0.000 -0.119 9.824) 9.824 8.346 ( 0.000 -4.983 -6.996) 8.589 8.346 ( 0.000 -4.983 6.996) 8.589 8.873 ( 0.000 11.591 -5.528) 12.841 8.873 ( 0.000 11.591 5.528) 12.841 9.192 ( 0.000 -0.675 -1.117) 1.305 9.192 ( 0.000 -0.675 1.117) 1.305 9.471 ( 0.000 -9.972 -6.449) 11.876 9.471 ( 0.000 -9.972 6.449) 11.876 9.578 ( 0.000 2.173 -1.259) 2.511 9.578 ( 0.000 2.173 1.259) 2.511 9.794 ( 0.000 -1.679 -2.931) 3.378 9.794 ( 0.000 -1.679 2.931) 3.378 9.942 ( 0.000 -4.058 -3.156) 5.141 9.942 ( 0.000 -4.058 3.156) 5.141 10.717 ( 0.000 9.722 -8.964) 13.224 10.717 ( 0.000 9.722 8.964) 13.224 10.802 ( 0.000 3.058 -10.109) 10.562 10.802 ( 0.000 3.058 10.109) 10.562 11.067 ( 0.000 0.431 -11.687) 11.695 11.067 ( 0.000 0.431 11.687) 11.695 11.348 ( 0.000 13.947 -4.677) 14.710 11.348 ( 0.000 13.947 4.677) 14.710 11.607 ( 0.000 -9.528 -7.301) 12.003 11.607 ( 0.000 -9.528 7.301) 12.003 12.220 ( 0.000 20.119 -0.489) 20.125 12.220 ( 0.000 20.119 0.489) 20.125 12.372 ( 0.000 2.331 -1.368) 2.702 12.372 ( 0.000 2.331 1.368) 2.702 12.718 ( 0.000 -0.230 -2.221) 2.233 12.718 ( 0.000 -0.230 2.221) 2.233 13.221 ( 0.000 -4.803 -0.284) 4.811 13.221 ( 0.000 -4.803 0.284) 4.811 13.339 ( 0.000 0.101 -9.766) 9.766 13.339 ( 0.000 0.101 9.766) 9.766 14.802 ( 0.000 1.532 -13.196) 13.285 14.802 ( 0.000 1.532 13.196) 13.285 15.046 ( 0.000 -0.185 -16.119) 16.120 15.046 ( 0.000 -0.185 16.119) 16.120 15.183 ( 0.000 -2.990 -12.741) 13.088 15.183 ( 0.000 -2.990 12.741) 13.088 15.316 ( 0.000 -0.704 -4.462) 4.517 15.316 ( 0.000 -0.704 4.462) 4.517 17.196 ( 0.000 2.126 -0.751) 2.255 17.196 ( 0.000 2.126 0.751) 2.255 17.319 ( 0.000 4.379 -9.641) 10.589 17.319 ( 0.000 4.379 9.641) 10.589 18.547 ( 0.000 2.121 -9.997) 10.220 18.547 ( 0.000 2.121 9.997) 10.220 18.865 ( 0.000 -10.406 -12.597) 16.339 18.865 ( 0.000 -10.406 12.597) 16.339 21.820 ( 0.000 -1.892 -1.468) 2.395 21.820 ( 0.000 -1.892 1.468) 2.395 22.238 ( 0.000 -5.050 -1.482) 5.263 22.238 ( 0.000 -5.050 1.482) 5.263 23.817 ( 0.000 -4.002 -0.928) 4.109 23.817 ( 0.000 -4.003 0.928) 4.109 23.942 ( 0.000 -1.032 -0.542) 1.166 23.942 ( 0.000 -1.032 0.542) 1.166 ======================= Grid point 212 (68/72) ======================= q-point: ( 0.20 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.542 ( 2.612 4.093 -3.422) 5.940 3.542 ( 2.612 4.093 3.422) 5.940 3.843 ( 2.143 14.033 -2.210) 14.367 3.843 ( 2.143 14.033 2.210) 14.367 3.969 ( -7.394 4.241 -3.384) 9.171 3.969 ( -7.394 4.241 3.384) 9.171 4.255 ( 3.795 -0.406 -4.905) 6.215 4.255 ( 3.795 -0.406 4.905) 6.215 4.392 ( -2.143 10.280 -0.697) 10.524 4.392 ( -2.143 10.280 0.697) 10.524 4.683 ( -2.418 2.524 -2.587) 4.349 4.683 ( -2.418 2.524 2.587) 4.349 4.827 ( 1.553 2.969 -2.160) 3.987 4.827 ( 1.553 2.969 2.160) 3.987 5.100 ( -5.240 -5.662 -3.861) 8.627 5.100 ( -5.240 -5.662 3.861) 8.627 5.318 ( 4.919 3.542 -9.460) 11.235 5.318 ( 4.919 3.542 9.460) 11.235 5.497 ( 4.311 -4.528 -17.117) 18.224 5.497 ( 4.311 -4.528 17.117) 18.224 6.096 ( 4.702 2.036 -2.293) 5.614 6.096 ( 4.702 2.036 2.293) 5.614 6.319 ( -1.154 1.616 -3.693) 4.193 6.319 ( -1.154 1.616 3.693) 4.193 6.710 ( -0.960 8.400 -3.938) 9.327 6.710 ( -0.960 8.400 3.938) 9.327 6.792 ( -9.940 3.171 -4.659) 11.427 6.792 ( -9.940 3.171 4.659) 11.427 7.330 ( -0.776 8.720 -9.908) 13.222 7.330 ( -0.776 8.720 9.908) 13.222 7.397 ( 6.749 3.400 -2.037) 7.826 7.397 ( 6.748 3.400 2.037) 7.826 7.537 ( 5.029 0.285 -2.715) 5.722 7.537 ( 5.029 0.285 2.715) 5.722 8.017 ( 0.070 2.285 -4.129) 4.720 8.017 ( 0.070 2.285 4.129) 4.720 8.112 ( 1.138 -1.607 -9.683) 9.882 8.112 ( 1.138 -1.607 9.683) 9.881 8.353 ( -0.428 -3.585 -6.714) 7.624 8.353 ( -0.428 -3.585 6.714) 7.624 8.911 ( 3.240 8.888 -3.266) 10.008 8.911 ( 3.240 8.888 3.266) 10.008 9.177 ( -1.558 -1.276 -2.327) 3.078 9.177 ( -1.558 -1.276 2.327) 3.078 9.483 ( 1.853 -4.169 -3.212) 5.579 9.483 ( 1.853 -4.169 3.212) 5.579 9.603 ( 2.519 0.510 -6.008) 6.535 9.603 ( 2.519 0.510 6.008) 6.535 9.826 ( 2.898 -1.251 -1.588) 3.533 9.826 ( 2.898 -1.251 1.588) 3.533 9.951 ( 1.854 -3.835 -3.594) 5.573 9.951 ( 1.854 -3.835 3.594) 5.573 10.563 ( -14.135 9.650 -6.063) 18.157 10.563 ( -14.135 9.650 6.063) 18.157 10.678 ( -10.636 0.685 -8.392) 13.566 10.678 ( -10.636 0.685 8.392) 13.566 11.128 ( 4.672 -0.097 -10.276) 11.289 11.128 ( 4.672 -0.097 10.276) 11.289 11.430 ( 5.891 11.942 -11.679) 17.713 11.430 ( 5.891 11.942 11.679) 17.713 11.563 ( -2.720 -3.509 -6.495) 7.867 11.563 ( -2.720 -3.509 6.495) 7.867 12.124 ( -7.645 13.377 -5.613) 16.398 12.124 ( -7.645 13.377 5.613) 16.398 12.461 ( 6.473 5.985 -3.836) 9.614 12.461 ( 6.473 5.985 3.836) 9.614 12.697 ( -1.820 1.122 -2.715) 3.455 12.697 ( -1.820 1.122 2.715) 3.455 13.253 ( 2.625 -4.022 -3.418) 5.895 13.253 ( 2.625 -4.022 3.418) 5.895 13.341 ( 0.175 -0.379 -9.325) 9.334 13.341 ( 0.175 -0.379 9.325) 9.334 14.844 ( 3.963 0.206 -11.287) 11.965 14.844 ( 3.963 0.206 11.287) 11.965 15.046 ( -0.078 -1.184 -12.828) 12.883 15.046 ( -0.078 -1.184 12.828) 12.883 15.183 ( 0.093 -2.109 -10.692) 10.898 15.183 ( 0.093 -2.109 10.692) 10.898 15.296 ( -2.010 -0.030 -3.190) 3.771 15.296 ( -2.010 -0.030 3.190) 3.771 17.199 ( 0.372 2.452 -0.667) 2.568 17.199 ( 0.372 2.452 0.667) 2.568 17.302 ( -1.521 3.864 -8.249) 9.235 17.302 ( -1.521 3.864 8.249) 9.235 18.562 ( 1.382 2.051 -9.399) 9.719 18.562 ( 1.382 2.051 9.399) 9.719 18.841 ( -2.234 -9.528 -11.574) 15.157 18.841 ( -2.234 -9.528 11.574) 15.157 21.856 ( 3.559 -2.080 -1.546) 4.403 21.856 ( 3.559 -2.080 1.546) 4.403 22.198 ( -3.959 -4.964 -1.540) 6.534 22.198 ( -3.959 -4.964 1.540) 6.534 23.827 ( 0.847 -2.568 -1.217) 2.966 23.827 ( 0.847 -2.568 1.217) 2.966 23.948 ( 0.598 -2.730 -0.957) 2.953 23.948 ( 0.598 -2.730 0.957) 2.953 ======================= Grid point 214 (69/72) ======================= q-point: ( 0.40 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.623 ( 5.697 7.317 -4.559) 10.333 3.623 ( 5.697 7.317 4.559) 10.333 3.766 ( -7.652 9.703 -4.470) 13.141 3.766 ( -7.652 9.703 4.470) 13.141 3.961 ( 3.443 10.908 -1.735) 11.570 3.961 ( 3.443 10.908 1.735) 11.570 4.217 ( -4.341 7.610 -3.013) 9.265 4.217 ( -4.341 7.610 3.013) 9.265 4.439 ( 4.559 0.079 -1.587) 4.828 4.439 ( 4.559 0.079 1.587) 4.828 4.618 ( -3.659 -1.527 -2.427) 4.649 4.618 ( -3.659 -1.527 2.427) 4.649 4.877 ( 3.455 2.527 -3.079) 5.273 4.877 ( 3.455 2.527 3.079) 5.273 4.985 ( -5.577 -2.940 -3.410) 7.167 4.985 ( -5.577 -2.940 3.410) 7.167 5.400 ( 2.526 1.514 -2.997) 4.202 5.400 ( 2.526 1.514 2.997) 4.202 5.594 ( 4.104 -5.684 -9.382) 11.713 5.594 ( 4.104 -5.684 9.382) 11.713 6.185 ( 3.191 1.463 -4.159) 5.442 6.185 ( 3.191 1.463 4.159) 5.442 6.286 ( -1.857 2.041 -2.403) 3.659 6.286 ( -1.857 2.041 2.403) 3.659 6.631 ( -3.999 7.311 -1.060) 8.401 6.631 ( -3.999 7.311 1.060) 8.401 6.699 ( -1.274 6.092 -3.199) 6.998 6.699 ( -1.274 6.092 3.199) 6.998 7.320 ( 0.535 7.873 -6.853) 10.451 7.320 ( 0.535 7.873 6.853) 10.451 7.388 ( -2.711 3.611 -3.978) 6.018 7.388 ( -2.711 3.611 3.978) 6.018 7.775 ( 12.387 4.552 -3.567) 13.671 7.775 ( 12.387 4.552 3.567) 13.671 7.991 ( -3.350 0.412 -1.309) 3.620 7.991 ( -3.350 0.412 1.309) 3.620 8.152 ( 3.009 -3.758 -8.269) 9.568 8.152 ( 3.009 -3.758 8.269) 9.568 8.294 ( -4.984 -3.906 -6.126) 8.811 8.294 ( -4.984 -3.906 6.126) 8.811 8.988 ( 5.037 3.721 -0.876) 6.323 8.988 ( 5.037 3.721 0.876) 6.323 9.103 ( -5.913 -0.312 -3.045) 6.658 9.103 ( -5.913 -0.312 3.045) 6.658 9.581 ( 6.451 -0.094 -2.677) 6.985 9.581 ( 6.451 -0.094 2.677) 6.985 9.643 ( 0.382 -0.086 -5.179) 5.194 9.643 ( 0.382 -0.086 5.179) 5.194 9.912 ( 7.334 1.903 -1.576) 7.739 9.912 ( 7.334 1.903 1.576) 7.739 10.034 ( 4.193 -1.287 -3.463) 5.589 10.034 ( 4.193 -1.287 3.463) 5.589 10.258 ( -14.047 7.186 -4.097) 16.301 10.258 ( -14.047 7.186 4.097) 16.301 10.448 ( -10.352 -2.182 -5.547) 11.945 10.448 ( -10.352 -2.182 5.547) 11.945 11.241 ( 6.885 -0.634 -10.260) 12.373 11.241 ( 6.885 -0.634 10.260) 12.373 11.386 ( -7.166 -2.618 -12.458) 14.609 11.386 ( -7.166 -2.618 12.458) 14.609 11.654 ( 7.555 16.622 -2.331) 18.406 11.654 ( 7.555 16.622 2.331) 18.406 11.965 ( -7.318 8.982 -4.051) 12.273 11.965 ( -7.318 8.982 4.051) 12.273 12.577 ( 5.044 5.051 -3.760) 8.068 12.577 ( 5.044 5.051 3.760) 8.068 12.653 ( -2.858 3.213 -3.344) 5.447 12.653 ( -2.858 3.213 3.344) 5.447 13.297 ( 1.432 -1.739 -3.631) 4.273 13.297 ( 1.432 -1.739 3.631) 4.273 13.343 ( -0.003 -2.087 -5.590) 5.967 13.343 ( -0.003 -2.087 5.590) 5.967 14.929 ( 3.770 -1.603 -5.356) 6.743 14.929 ( 3.770 -1.603 5.356) 6.743 15.035 ( -1.150 -4.833 -4.975) 7.031 15.035 ( -1.150 -4.833 4.975) 7.031 15.196 ( 1.377 1.004 -7.122) 7.323 15.196 ( 1.377 1.004 7.122) 7.323 15.246 ( -2.784 1.121 -1.513) 3.361 15.246 ( -2.784 1.121 1.513) 3.361 17.210 ( 0.553 3.435 -0.950) 3.607 17.210 ( 0.553 3.435 0.950) 3.607 17.271 ( -1.264 2.596 -3.955) 4.897 17.271 ( -1.264 2.596 3.955) 4.897 18.591 ( 1.195 1.993 -5.074) 5.581 18.591 ( 1.195 1.993 5.074) 5.581 18.796 ( -1.713 -8.200 -5.947) 10.273 18.796 ( -1.713 -8.200 5.947) 10.273 21.945 ( 4.737 -2.082 -1.378) 5.355 21.945 ( 4.737 -2.082 1.378) 5.355 22.102 ( -4.973 -5.115 -1.368) 7.264 22.102 ( -4.973 -5.115 1.368) 7.264 23.842 ( 0.481 -0.153 -0.661) 0.832 23.842 ( 0.481 -0.153 0.661) 0.832 23.960 ( 0.391 -5.564 -0.557) 5.606 23.960 ( 0.391 -5.564 0.557) 5.606 ======================= Grid point 220 (70/72) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.537 ( 0.000 0.000 -0.000) 0.000 3.537 ( 0.000 0.000 0.000) 0.000 3.947 ( 0.000 0.000 -0.000) 0.000 3.947 ( 0.000 0.000 0.000) 0.000 4.095 ( 0.000 0.000 -0.000) 0.000 4.095 ( 0.000 0.000 0.000) 0.000 4.174 ( 0.000 0.000 -0.000) 0.000 4.174 ( 0.000 0.000 0.000) 0.000 4.658 ( 0.000 -0.000 -0.000) 0.000 4.658 ( 0.000 0.000 0.000) 0.000 4.667 ( 0.000 -0.000 0.000) 0.000 4.667 ( 0.000 0.000 0.000) 0.000 4.834 ( 0.000 0.000 -0.000) 0.000 4.834 ( 0.000 0.000 0.000) 0.000 5.078 ( 0.000 0.000 -0.000) 0.000 5.078 ( 0.000 0.000 0.000) 0.000 5.329 ( 0.000 0.000 -0.000) 0.000 5.329 ( 0.000 0.000 0.000) 0.000 5.381 ( 0.000 -0.000 -0.000) 0.000 5.381 ( 0.000 -0.000 0.000) 0.000 6.089 ( 0.000 0.000 -0.000) 0.000 6.089 ( 0.000 0.000 0.000) 0.000 6.333 ( 0.000 0.000 -0.000) 0.000 6.333 ( 0.000 0.000 -0.000) 0.000 6.800 ( 0.000 0.000 -0.000) 0.000 6.800 ( 0.000 0.000 0.000) 0.000 6.977 ( 0.000 0.000 -0.000) 0.000 6.977 ( 0.000 0.000 0.000) 0.000 7.225 ( 0.000 0.000 0.000) 0.000 7.225 ( 0.000 0.000 0.000) 0.000 7.485 ( 0.000 0.000 -0.000) 0.001 7.485 ( 0.000 0.000 0.000) 0.000 7.507 ( 0.000 -0.000 -0.000) 0.000 7.507 ( 0.000 -0.000 0.000) 0.001 8.060 ( 0.000 0.000 -0.000) 0.000 8.060 ( 0.000 0.000 0.000) 0.000 8.088 ( 0.000 0.000 -0.000) 0.000 8.088 ( 0.000 0.000 0.000) 0.000 8.290 ( 0.000 0.000 -0.000) 0.000 8.290 ( 0.000 0.000 0.000) 0.000 9.006 ( 0.000 0.000 -0.000) 0.000 9.006 ( 0.000 0.000 0.000) 0.000 9.182 ( 0.000 0.000 -0.000) 0.000 9.182 ( 0.000 0.000 0.000) 0.000 9.373 ( 0.000 0.000 -0.000) 0.000 9.373 ( 0.000 0.000 0.000) 0.000 9.575 ( 0.000 0.000 -0.000) 0.000 9.575 ( 0.000 0.000 0.000) 0.000 9.820 ( 0.000 0.000 0.000) 0.000 9.820 ( 0.000 0.000 0.000) 0.000 9.877 ( 0.000 0.000 -0.000) 0.000 9.877 ( 0.000 0.000 0.000) 0.000 10.807 ( 0.000 0.000 -0.000) 0.000 10.807 ( 0.000 0.000 0.000) 0.000 10.852 ( 0.000 0.000 -0.000) 0.000 10.852 ( 0.000 0.000 0.000) 0.000 11.058 ( 0.000 0.000 -0.000) 0.000 11.058 ( 0.000 0.000 0.000) 0.000 11.494 ( 0.000 0.000 -0.001) 0.001 11.494 ( 0.000 0.000 0.000) 0.000 11.506 ( 0.000 -0.000 -0.000) 0.000 11.506 ( 0.000 -0.000 0.001) 0.001 12.381 ( 0.000 0.000 -0.000) 0.000 12.381 ( 0.000 0.000 0.000) 0.000 12.450 ( 0.000 0.000 -0.000) 0.000 12.450 ( 0.000 0.000 0.000) 0.000 12.711 ( 0.000 -0.000 -0.000) 0.000 12.711 ( 0.000 0.000 0.000) 0.000 13.168 ( 0.000 0.000 -0.000) 0.000 13.168 ( 0.000 0.000 0.000) 0.000 13.326 ( 0.000 -0.000 -0.000) 0.000 13.326 ( 0.000 -0.000 0.000) 0.000 14.793 ( 0.000 0.000 -0.000) 0.000 14.793 ( 0.000 0.000 0.000) 0.000 15.053 ( 0.000 0.000 -0.000) 0.000 15.053 ( 0.000 0.000 0.000) 0.000 15.166 ( 0.000 0.000 -0.000) 0.000 15.166 ( 0.000 0.000 0.000) 0.000 15.322 ( 0.000 0.000 -0.000) 0.000 15.322 ( 0.000 0.000 0.000) 0.000 17.216 ( 0.000 0.000 -0.000) 0.000 17.216 ( 0.000 0.000 0.000) 0.000 17.362 ( 0.000 0.000 -0.000) 0.000 17.362 ( 0.000 0.000 0.000) 0.000 18.576 ( 0.000 0.000 -0.000) 0.000 18.576 ( 0.000 0.000 0.000) 0.000 18.757 ( 0.000 0.000 -0.000) 0.000 18.757 ( 0.000 0.000 0.000) 0.000 21.802 ( 0.000 0.000 -0.000) 0.000 21.802 ( 0.000 0.000 0.000) 0.000 22.181 ( 0.000 0.000 -0.000) 0.000 22.181 ( 0.000 0.000 0.000) 0.000 23.778 ( 0.000 0.000 -0.000) 0.000 23.778 ( 0.000 0.000 0.000) 0.000 23.931 ( 0.000 0.000 -0.000) 0.000 23.931 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 224 (71/72) ======================= q-point: ( 0.20 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.582 ( 4.499 0.000 -0.000) 4.499 3.582 ( 4.499 0.000 0.000) 4.499 3.995 ( 4.847 0.000 -0.000) 4.847 3.995 ( 4.847 0.000 0.000) 4.847 4.002 ( -7.071 0.000 -0.000) 7.071 4.002 ( -7.071 0.000 0.000) 7.071 4.225 ( 2.770 0.000 -0.000) 2.770 4.225 ( 2.770 0.000 0.000) 2.770 4.605 ( -5.097 0.000 -0.000) 5.097 4.605 ( -5.097 0.000 0.000) 5.097 4.611 ( -4.632 -0.000 0.000) 4.632 4.611 ( -4.632 -0.000 -0.000) 4.632 4.857 ( 1.893 0.000 0.000) 1.893 4.857 ( 1.893 0.000 0.000) 1.893 5.038 ( -3.542 0.000 -0.000) 3.542 5.038 ( -3.542 0.000 0.000) 3.542 5.375 ( 4.251 0.000 -0.000) 4.251 5.375 ( 4.251 0.000 0.000) 4.251 5.429 ( 4.034 0.000 -0.000) 4.034 5.429 ( 4.034 -0.000 0.000) 4.034 6.123 ( 3.342 0.000 -0.000) 3.342 6.123 ( 3.342 0.000 0.000) 3.342 6.329 ( -0.518 0.000 -0.000) 0.518 6.329 ( -0.518 0.000 0.000) 0.518 6.793 ( -1.018 0.000 -0.000) 1.018 6.793 ( -1.018 0.000 0.000) 1.018 6.827 ( -8.851 0.000 -0.000) 8.851 6.827 ( -8.851 0.000 0.000) 8.851 7.416 ( 6.096 0.000 -0.000) 6.096 7.416 ( 6.096 0.000 0.000) 6.096 7.469 ( -3.270 0.000 -0.000) 3.270 7.469 ( -3.270 0.000 0.000) 3.270 7.514 ( 9.902 -0.000 -0.000) 9.902 7.514 ( 9.902 -0.000 0.000) 9.902 8.037 ( -1.782 0.000 -0.000) 1.782 8.037 ( -1.782 0.000 0.000) 1.782 8.088 ( 0.060 0.000 -0.000) 0.060 8.088 ( 0.060 0.000 0.000) 0.060 8.310 ( 0.212 0.000 -0.000) 0.212 8.310 ( 0.212 0.000 0.000) 0.212 9.011 ( 0.554 0.000 -0.000) 0.554 9.011 ( 0.554 0.000 0.000) 0.554 9.154 ( -2.653 0.000 -0.000) 2.653 9.154 ( -2.653 0.000 0.000) 2.653 9.441 ( 6.617 0.000 0.000) 6.617 9.441 ( 6.617 0.000 0.000) 6.617 9.615 ( 3.162 0.000 -0.000) 3.162 9.615 ( 3.162 0.000 0.000) 3.162 9.821 ( 1.154 0.000 -0.000) 1.154 9.821 ( 1.154 0.000 0.000) 1.154 9.909 ( 3.712 0.000 -0.000) 3.712 9.909 ( 3.712 0.000 0.000) 3.712 10.667 ( -13.494 0.000 -0.000) 13.494 10.667 ( -13.494 0.000 0.000) 13.494 10.688 ( -13.608 0.000 -0.000) 13.608 10.688 ( -13.608 0.000 0.000) 13.608 11.117 ( 4.627 0.000 -0.000) 4.627 11.117 ( 4.627 0.000 0.000) 4.627 11.455 ( -3.883 0.000 -0.000) 3.883 11.455 ( -3.883 0.000 0.000) 3.883 11.618 ( 9.757 0.000 -0.000) 9.757 11.618 ( 9.757 0.000 0.000) 9.757 12.238 ( -9.456 0.000 -0.000) 9.456 12.238 ( -9.456 0.000 0.000) 9.456 12.557 ( 5.769 0.000 -0.000) 5.769 12.557 ( 5.769 0.000 0.000) 5.769 12.710 ( -0.179 0.000 -0.000) 0.179 12.710 ( -0.179 0.000 0.000) 0.179 13.204 ( 3.168 0.000 -0.000) 3.168 13.204 ( 3.168 0.000 0.000) 3.168 13.323 ( -0.307 -0.000 -0.000) 0.307 13.323 ( -0.307 -0.000 0.000) 0.307 14.823 ( 2.996 0.000 -0.000) 2.996 14.823 ( 2.996 0.000 0.000) 2.996 15.034 ( -1.933 0.000 -0.000) 1.933 15.034 ( -1.933 0.000 0.000) 1.933 15.182 ( 1.576 0.000 -0.000) 1.576 15.182 ( 1.576 0.000 0.000) 1.576 15.308 ( -1.345 0.000 -0.000) 1.345 15.308 ( -1.345 0.000 0.000) 1.345 17.223 ( 0.770 0.000 -0.000) 0.770 17.223 ( 0.770 0.000 0.000) 0.770 17.340 ( -2.131 0.000 -0.000) 2.131 17.340 ( -2.131 0.000 0.000) 2.131 18.593 ( 1.692 0.000 -0.000) 1.692 18.593 ( 1.692 0.000 0.000) 1.692 18.739 ( -1.793 0.000 -0.000) 1.793 18.739 ( -1.793 0.000 0.000) 1.793 21.836 ( 3.402 0.000 -0.000) 3.402 21.836 ( 3.402 0.000 0.000) 3.402 22.141 ( -3.886 0.000 -0.000) 3.886 22.141 ( -3.886 0.000 0.000) 3.886 23.800 ( 2.104 0.000 -0.000) 2.104 23.800 ( 2.104 0.000 0.000) 2.104 23.923 ( -0.888 0.000 -0.000) 0.888 23.923 ( -0.888 0.000 0.000) 0.888 ======================= Grid point 228 (72/72) ======================= q-point: ( 0.40 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.700 ( 7.233 0.000 -0.000) 7.233 3.700 ( 7.233 0.000 0.000) 7.233 3.851 ( -8.066 0.000 0.000) 8.066 3.851 ( -8.066 0.000 0.000) 8.066 4.123 ( 7.696 0.000 -0.000) 7.696 4.123 ( 7.696 0.000 0.000) 7.696 4.240 ( -2.536 0.000 -0.000) 2.536 4.240 ( -2.536 0.000 0.000) 2.536 4.505 ( -3.075 0.000 -0.000) 3.075 4.505 ( -3.075 0.000 0.000) 3.075 4.522 ( -3.770 0.000 -0.000) 3.770 4.522 ( -3.770 0.000 0.000) 3.770 4.900 ( 2.630 0.000 0.000) 2.630 4.900 ( 2.630 0.000 0.000) 2.630 4.963 ( -3.775 0.000 -0.000) 3.775 4.963 ( -3.775 0.000 0.000) 3.775 5.462 ( 3.776 0.000 -0.000) 3.776 5.462 ( 3.776 0.000 0.000) 3.776 5.490 ( 1.243 -0.000 -0.000) 1.243 5.490 ( 1.243 -0.000 0.000) 1.243 6.210 ( 5.170 0.000 -0.000) 5.170 6.210 ( 5.170 0.000 0.000) 5.170 6.298 ( -3.192 0.000 -0.000) 3.192 6.298 ( -3.192 0.000 0.000) 3.192 6.720 ( -1.406 0.000 -0.000) 1.406 6.720 ( -1.406 0.000 0.000) 1.406 6.751 ( -3.017 0.000 -0.000) 3.017 6.751 ( -3.017 0.000 0.000) 3.017 7.415 ( -1.138 0.002 -0.003) 1.138 7.415 ( -1.138 0.001 0.002) 1.138 7.415 ( -1.561 -0.001 -0.002) 1.561 7.415 ( -1.561 -0.002 0.003) 1.561 7.825 ( 15.264 0.000 -0.000) 15.264 7.825 ( 15.264 0.000 0.000) 15.264 7.995 ( -3.284 0.000 -0.000) 3.284 7.995 ( -3.284 0.000 0.000) 3.284 8.107 ( 2.856 0.000 -0.000) 2.856 8.107 ( 2.856 0.000 0.000) 2.856 8.234 ( -7.953 0.000 -0.000) 7.953 8.234 ( -7.953 0.000 0.000) 7.953 9.034 ( 2.079 0.000 -0.000) 2.079 9.034 ( 2.079 0.000 0.000) 2.079 9.091 ( -3.479 0.000 -0.000) 3.479 9.091 ( -3.479 0.000 0.000) 3.479 9.583 ( 6.101 0.000 -0.000) 6.101 9.583 ( 6.101 0.000 0.000) 6.101 9.647 ( -0.608 0.000 -0.000) 0.608 9.647 ( -0.608 0.000 0.000) 0.608 9.927 ( 10.441 0.000 -0.000) 10.441 9.927 ( 10.441 0.000 0.000) 10.441 10.027 ( 6.246 0.000 -0.000) 6.246 10.027 ( 6.246 0.000 0.000) 6.246 10.360 ( -13.911 -0.000 -0.000) 13.911 10.360 ( -13.911 -0.000 0.000) 13.911 10.405 ( -13.675 0.000 -0.000) 13.675 10.405 ( -13.675 0.000 0.000) 13.675 11.224 ( 6.312 0.000 -0.000) 6.312 11.224 ( 6.312 0.000 0.000) 6.312 11.352 ( -6.394 0.000 -0.000) 6.394 11.352 ( -6.394 0.000 0.000) 6.394 11.830 ( 11.262 0.000 -0.000) 11.262 11.830 ( 11.262 0.000 0.000) 11.262 12.043 ( -10.570 0.000 -0.000) 10.570 12.043 ( -10.570 0.000 0.000) 10.570 12.648 ( 3.611 0.000 -0.000) 3.611 12.648 ( 3.611 0.000 0.000) 3.611 12.697 ( -1.438 0.000 -0.000) 1.438 12.697 ( -1.438 0.000 0.000) 1.438 13.267 ( 2.911 0.000 -0.000) 2.911 13.267 ( 2.911 0.000 0.000) 2.911 13.309 ( -1.343 -0.000 -0.000) 1.343 13.309 ( -1.343 -0.000 0.000) 1.343 14.898 ( 4.343 0.000 -0.000) 4.343 14.898 ( 4.343 0.000 0.000) 4.343 14.979 ( -3.663 0.000 -0.000) 3.663 14.979 ( -3.663 0.000 0.000) 3.663 15.223 ( 2.477 0.000 -0.000) 2.477 15.223 ( 2.477 0.000 0.000) 2.477 15.272 ( -2.348 0.000 -0.000) 2.348 15.272 ( -2.348 0.000 0.000) 2.348 17.247 ( 1.776 0.000 -0.000) 1.776 17.247 ( 1.776 0.000 0.000) 1.776 17.291 ( -2.605 0.000 -0.000) 2.605 17.291 ( -2.605 0.000 0.000) 2.605 18.637 ( 2.720 0.000 -0.000) 2.720 18.637 ( 2.720 0.000 0.000) 2.720 18.693 ( -2.792 0.000 -0.000) 2.792 18.693 ( -2.792 0.000 0.000) 2.792 21.926 ( 5.624 0.000 -0.000) 5.624 21.926 ( 5.624 0.000 0.000) 5.624 22.042 ( -5.909 0.000 -0.000) 5.909 22.042 ( -5.909 0.000 0.000) 5.909 23.849 ( 2.690 0.000 -0.000) 2.690 23.849 ( 2.690 0.000 0.000) 2.690 23.895 ( -1.956 0.000 -0.000) 1.956 23.895 ( -1.956 0.000 0.000) 1.956 =================== 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 3/26880 10.0 7046.257 6459.296 2835.590 0.000 0.000 -0.000 3/26880 20.0 1568.757 2111.837 1461.624 0.000 0.000 -0.000 3/26880 30.0 475.492 791.180 490.005 0.000 0.000 0.000 3/26880 40.0 199.673 361.544 210.272 0.000 0.000 0.000 3/26880 50.0 105.042 197.799 111.328 0.000 0.000 0.000 3/26880 60.0 64.460 124.142 68.453 0.000 0.000 0.000 3/26880 70.0 43.983 85.957 46.699 0.000 0.000 0.000 3/26880 80.0 32.351 63.867 34.298 0.000 0.000 0.000 3/26880 90.0 25.133 49.975 26.587 0.000 0.000 0.000 3/26880 100.0 20.339 40.658 21.464 0.000 0.000 0.000 3/26880 110.0 16.982 34.085 17.879 0.000 0.000 0.000 3/26880 120.0 14.529 29.255 15.265 0.000 0.000 0.000 3/26880 130.0 12.672 25.585 13.293 0.000 0.000 0.000 3/26880 140.0 11.227 22.720 11.762 0.000 0.000 0.000 3/26880 150.0 10.075 20.429 10.546 0.000 0.000 0.000 3/26880 160.0 9.137 18.562 9.560 0.000 0.000 0.000 3/26880 170.0 8.360 17.013 8.746 0.000 0.000 0.000 3/26880 180.0 7.707 15.710 8.063 0.000 0.000 0.000 3/26880 190.0 7.151 14.599 7.484 0.000 0.000 0.000 3/26880 200.0 6.672 13.642 6.986 0.000 0.000 0.000 3/26880 210.0 6.256 12.808 6.554 0.000 0.000 0.000 3/26880 220.0 5.890 12.076 6.175 0.000 0.000 0.000 3/26880 230.0 5.566 11.427 5.840 0.000 0.000 0.000 3/26880 240.0 5.278 10.849 5.542 0.000 0.000 0.000 3/26880 250.0 5.020 10.330 5.274 0.000 0.000 0.000 3/26880 260.0 4.786 9.861 5.033 0.000 0.000 0.000 3/26880 270.0 4.575 9.436 4.814 0.000 0.000 0.000 3/26880 280.0 4.382 9.048 4.615 0.000 0.000 0.000 3/26880 290.0 4.206 8.692 4.433 0.000 0.000 0.000 3/26880 300.0 4.044 8.366 4.265 0.000 0.000 0.000 3/26880 310.0 3.895 8.064 4.110 0.000 0.000 0.000 3/26880 320.0 3.756 7.785 3.967 0.000 0.000 0.000 3/26880 330.0 3.628 7.525 3.834 0.000 0.000 0.000 3/26880 340.0 3.509 7.283 3.710 0.000 0.000 0.000 3/26880 350.0 3.397 7.057 3.594 0.000 0.000 0.000 3/26880 360.0 3.293 6.845 3.485 0.000 0.000 0.000 3/26880 370.0 3.195 6.647 3.384 0.000 0.000 0.000 3/26880 380.0 3.103 6.460 3.288 0.000 0.000 0.000 3/26880 390.0 3.017 6.283 3.197 0.000 0.000 0.000 3/26880 400.0 2.935 6.117 3.112 0.000 0.000 0.000 3/26880 410.0 2.858 5.959 3.032 0.000 0.000 0.000 3/26880 420.0 2.785 5.810 2.955 0.000 0.000 0.000 3/26880 430.0 2.716 5.668 2.883 0.000 0.000 0.000 3/26880 440.0 2.650 5.533 2.814 0.000 0.000 0.000 3/26880 450.0 2.587 5.405 2.748 0.000 0.000 0.000 3/26880 460.0 2.527 5.283 2.685 0.000 0.000 0.000 3/26880 470.0 2.471 5.166 2.626 0.000 0.000 0.000 3/26880 480.0 2.416 5.054 2.569 0.000 0.000 0.000 3/26880 490.0 2.364 4.948 2.514 0.000 0.000 0.000 3/26880 500.0 2.315 4.846 2.462 0.000 0.000 0.000 3/26880 510.0 2.267 4.748 2.412 0.000 0.000 0.000 3/26880 520.0 2.222 4.654 2.364 0.000 0.000 0.000 3/26880 530.0 2.178 4.564 2.318 0.000 0.000 0.000 3/26880 540.0 2.136 4.477 2.274 0.000 0.000 0.000 3/26880 550.0 2.095 4.394 2.231 0.000 0.000 0.000 3/26880 560.0 2.057 4.313 2.190 0.000 0.000 0.000 3/26880 570.0 2.019 4.236 2.151 0.000 0.000 0.000 3/26880 580.0 1.983 4.161 2.113 0.000 0.000 0.000 3/26880 590.0 1.948 4.089 2.076 0.000 0.000 0.000 3/26880 600.0 1.915 4.020 2.040 0.000 0.000 0.000 3/26880 610.0 1.882 3.953 2.006 0.000 0.000 0.000 3/26880 620.0 1.851 3.888 1.973 0.000 0.000 0.000 3/26880 630.0 1.821 3.825 1.941 0.000 0.000 0.000 3/26880 640.0 1.792 3.765 1.910 0.000 0.000 0.000 3/26880 650.0 1.763 3.706 1.880 0.000 0.000 0.000 3/26880 660.0 1.736 3.649 1.851 0.000 0.000 0.000 3/26880 670.0 1.709 3.594 1.823 0.000 0.000 0.000 3/26880 680.0 1.684 3.540 1.796 0.000 0.000 0.000 3/26880 690.0 1.659 3.488 1.769 0.000 0.000 0.000 3/26880 700.0 1.634 3.438 1.744 0.000 0.000 0.000 3/26880 710.0 1.611 3.389 1.719 0.000 0.000 0.000 3/26880 720.0 1.588 3.341 1.694 0.000 0.000 0.000 3/26880 730.0 1.566 3.295 1.671 0.000 0.000 0.000 3/26880 740.0 1.544 3.250 1.648 0.000 0.000 0.000 3/26880 750.0 1.523 3.206 1.626 0.000 0.000 0.000 3/26880 760.0 1.503 3.163 1.604 0.000 0.000 0.000 3/26880 770.0 1.483 3.122 1.583 0.000 0.000 0.000 3/26880 780.0 1.464 3.082 1.562 0.000 0.000 0.000 3/26880 790.0 1.445 3.042 1.542 0.000 0.000 0.000 3/26880 800.0 1.426 3.004 1.523 0.000 0.000 0.000 3/26880 810.0 1.408 2.967 1.504 0.000 0.000 0.000 3/26880 820.0 1.391 2.930 1.485 0.000 0.000 0.000 3/26880 830.0 1.374 2.895 1.467 0.000 0.000 0.000 3/26880 840.0 1.357 2.860 1.449 0.000 0.000 0.000 3/26880 850.0 1.341 2.826 1.432 0.000 0.000 0.000 3/26880 860.0 1.325 2.793 1.415 0.000 0.000 0.000 3/26880 870.0 1.310 2.761 1.399 0.000 0.000 0.000 3/26880 880.0 1.295 2.729 1.383 0.000 0.000 0.000 3/26880 890.0 1.280 2.698 1.367 0.000 0.000 0.000 3/26880 900.0 1.266 2.668 1.352 0.000 0.000 0.000 3/26880 910.0 1.251 2.638 1.337 0.000 0.000 0.000 3/26880 920.0 1.238 2.610 1.322 0.000 0.000 0.000 3/26880 930.0 1.224 2.581 1.308 0.000 0.000 0.000 3/26880 940.0 1.211 2.554 1.294 0.000 0.000 0.000 3/26880 950.0 1.198 2.527 1.280 0.000 0.000 0.000 3/26880 960.0 1.186 2.500 1.267 0.000 0.000 0.000 3/26880 970.0 1.173 2.474 1.254 0.000 0.000 0.000 3/26880 980.0 1.161 2.449 1.241 0.000 0.000 0.000 3/26880 990.0 1.149 2.424 1.228 0.000 0.000 0.000 3/26880 1000.0 1.138 2.400 1.216 0.000 0.000 0.000 3/26880 Thermal conductivity related properties were written into "kappa-m5144.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:36:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|