----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 05:24:48]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnna (52) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.729067840000001 0.000000000000000 0.000000000000000 b 0.000000000000000 11.658109359999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.020799030000000 Atomic positions (fractional): *1 O 0.92258117961035 0.40091182037592 0.91771975184076 15.999 2 O 0.57741882038965 0.59908817962408 0.91771975184076 15.999 3 O 0.92258117961035 0.09908817962408 0.58228024815924 15.999 4 O 0.57741882038965 0.90091182037592 0.58228024815924 15.999 5 O 0.07741882038965 0.59908817962408 0.08228024815924 15.999 6 O 0.42258117961035 0.40091182037592 0.08228024815924 15.999 7 O 0.07741882038965 0.90091182037592 0.41771975184076 15.999 8 O 0.42258117961035 0.09908817962408 0.41771975184076 15.999 *9 O 0.14257289586563 0.30953065351680 0.50626502072422 15.999 10 O 0.35742710413437 0.69046934648320 0.50626502072422 15.999 11 O 0.14257289586563 0.19046934648320 0.99373497927578 15.999 12 O 0.35742710413437 0.80953065351680 0.99373497927578 15.999 13 O 0.85742710413437 0.69046934648320 0.49373497927578 15.999 14 O 0.64257289586563 0.30953065351680 0.49373497927578 15.999 15 O 0.85742710413437 0.80953065351680 0.00626502072422 15.999 16 O 0.64257289586563 0.19046934648320 0.00626502072422 15.999 *17 Nb 0.84930550878042 0.25000000000000 0.75000000000000 92.906 18 Nb 0.65069449121958 0.75000000000000 0.75000000000000 92.906 19 Nb 0.15069449121958 0.75000000000000 0.25000000000000 92.906 20 Nb 0.34930550878042 0.25000000000000 0.25000000000000 92.906 *21 Bi 0.75000000000000 0.00000000000000 0.27541812427080 208.980 22 Bi 0.75000000000000 0.50000000000000 0.22458187572920 208.980 23 Bi 0.25000000000000 0.00000000000000 0.72458187572920 208.980 24 Bi 0.25000000000000 0.50000000000000 0.77541812427080 208.980 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.729067840000001 0.000000000000000 0.000000000000000 b 0.000000000000000 11.658109359999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.020799030000000 Atomic positions (fractional): *1 O 0.92258117961035 0.40091182037592 0.91771975184076 15.999 > 1 2 O 0.57741882038965 0.59908817962408 0.91771975184076 15.999 > 2 3 O 0.92258117961035 0.09908817962408 0.58228024815924 15.999 > 3 4 O 0.57741882038965 0.90091182037592 0.58228024815924 15.999 > 4 5 O 0.07741882038965 0.59908817962408 0.08228024815924 15.999 > 5 6 O 0.42258117961035 0.40091182037592 0.08228024815924 15.999 > 6 7 O 0.07741882038965 0.90091182037592 0.41771975184076 15.999 > 7 8 O 0.42258117961035 0.09908817962408 0.41771975184076 15.999 > 8 *9 O 0.14257289586563 0.30953065351680 0.50626502072422 15.999 > 9 10 O 0.35742710413437 0.69046934648320 0.50626502072422 15.999 > 10 11 O 0.14257289586563 0.19046934648320 0.99373497927578 15.999 > 11 12 O 0.35742710413437 0.80953065351680 0.99373497927578 15.999 > 12 13 O 0.85742710413437 0.69046934648320 0.49373497927578 15.999 > 13 14 O 0.64257289586563 0.30953065351680 0.49373497927578 15.999 > 14 15 O 0.85742710413437 0.80953065351680 0.00626502072422 15.999 > 15 16 O 0.64257289586563 0.19046934648320 0.00626502072422 15.999 > 16 *17 Nb 0.84930550878042 0.25000000000000 0.75000000000000 92.906 > 17 18 Nb 0.65069449121958 0.75000000000000 0.75000000000000 92.906 > 18 19 Nb 0.15069449121958 0.75000000000000 0.25000000000000 92.906 > 19 20 Nb 0.34930550878042 0.25000000000000 0.25000000000000 92.906 > 20 *21 Bi 0.75000000000000 0.00000000000000 0.27541812427080 208.980 > 21 22 Bi 0.75000000000000 0.50000000000000 0.22458187572920 208.980 > 22 23 Bi 0.25000000000000 0.00000000000000 0.72458187572920 208.980 > 23 24 Bi 0.25000000000000 0.50000000000000 0.77541812427080 208.980 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.458135680000002 0.000000000000000 0.000000000000000 b 0.000000000000000 11.658109359999999 0.000000000000000 c 0.000000000000000 0.000000000000000 15.062397090000001 Atomic positions (fractional): *1 O 0.46129058980518 0.40091182037592 0.30590658394692 15.999 > 1 2 O 0.96129058980518 0.40091182037592 0.30590658394692 15.999 > 1 3 O 0.46129058980518 0.40091182037592 0.63923991728025 15.999 > 1 4 O 0.96129058980518 0.40091182037592 0.63923991728025 15.999 > 1 5 O 0.46129058980518 0.40091182037592 0.97257325061359 15.999 > 1 6 O 0.96129058980518 0.40091182037592 0.97257325061359 15.999 > 1 7 O 0.28870941019482 0.59908817962408 0.30590658394692 15.999 > 2 8 O 0.78870941019482 0.59908817962408 0.30590658394692 15.999 > 2 9 O 0.28870941019482 0.59908817962408 0.63923991728025 15.999 > 2 10 O 0.78870941019482 0.59908817962408 0.63923991728025 15.999 > 2 11 O 0.28870941019482 0.59908817962408 0.97257325061359 15.999 > 2 12 O 0.78870941019482 0.59908817962408 0.97257325061359 15.999 > 2 13 O 0.46129058980518 0.09908817962408 0.19409341605308 15.999 > 3 14 O 0.96129058980518 0.09908817962408 0.19409341605308 15.999 > 3 15 O 0.46129058980518 0.09908817962408 0.52742674938641 15.999 > 3 16 O 0.96129058980518 0.09908817962408 0.52742674938641 15.999 > 3 17 O 0.46129058980518 0.09908817962408 0.86076008271975 15.999 > 3 18 O 0.96129058980518 0.09908817962408 0.86076008271975 15.999 > 3 19 O 0.28870941019482 0.90091182037592 0.19409341605308 15.999 > 4 20 O 0.78870941019482 0.90091182037592 0.19409341605308 15.999 > 4 21 O 0.28870941019482 0.90091182037592 0.52742674938641 15.999 > 4 22 O 0.78870941019482 0.90091182037592 0.52742674938641 15.999 > 4 23 O 0.28870941019482 0.90091182037592 0.86076008271975 15.999 > 4 24 O 0.78870941019482 0.90091182037592 0.86076008271975 15.999 > 4 25 O 0.03870941019482 0.59908817962408 0.02742674938641 15.999 > 5 26 O 0.53870941019482 0.59908817962408 0.02742674938641 15.999 > 5 27 O 0.03870941019482 0.59908817962408 0.36076008271975 15.999 > 5 28 O 0.53870941019482 0.59908817962408 0.36076008271975 15.999 > 5 29 O 0.03870941019482 0.59908817962408 0.69409341605308 15.999 > 5 30 O 0.53870941019482 0.59908817962408 0.69409341605308 15.999 > 5 31 O 0.21129058980518 0.40091182037592 0.02742674938641 15.999 > 6 32 O 0.71129058980518 0.40091182037592 0.02742674938641 15.999 > 6 33 O 0.21129058980518 0.40091182037592 0.36076008271975 15.999 > 6 34 O 0.71129058980518 0.40091182037592 0.36076008271975 15.999 > 6 35 O 0.21129058980518 0.40091182037592 0.69409341605308 15.999 > 6 36 O 0.71129058980518 0.40091182037592 0.69409341605308 15.999 > 6 37 O 0.03870941019482 0.90091182037592 0.13923991728025 15.999 > 7 38 O 0.53870941019482 0.90091182037592 0.13923991728025 15.999 > 7 39 O 0.03870941019482 0.90091182037592 0.47257325061359 15.999 > 7 40 O 0.53870941019482 0.90091182037592 0.47257325061359 15.999 > 7 41 O 0.03870941019482 0.90091182037592 0.80590658394692 15.999 > 7 42 O 0.53870941019482 0.90091182037592 0.80590658394692 15.999 > 7 43 O 0.21129058980518 0.09908817962408 0.13923991728025 15.999 > 8 44 O 0.71129058980518 0.09908817962408 0.13923991728025 15.999 > 8 45 O 0.21129058980518 0.09908817962408 0.47257325061359 15.999 > 8 46 O 0.71129058980518 0.09908817962408 0.47257325061359 15.999 > 8 47 O 0.21129058980518 0.09908817962408 0.80590658394692 15.999 > 8 48 O 0.71129058980518 0.09908817962408 0.80590658394692 15.999 > 8 *49 O 0.07128644793281 0.30953065351680 0.16875500690807 15.999 > 9 50 O 0.57128644793281 0.30953065351680 0.16875500690807 15.999 > 9 51 O 0.07128644793281 0.30953065351680 0.50208834024141 15.999 > 9 52 O 0.57128644793281 0.30953065351680 0.50208834024141 15.999 > 9 53 O 0.07128644793281 0.30953065351680 0.83542167357474 15.999 > 9 54 O 0.57128644793281 0.30953065351680 0.83542167357474 15.999 > 9 55 O 0.17871355206719 0.69046934648320 0.16875500690807 15.999 > 10 56 O 0.67871355206719 0.69046934648320 0.16875500690807 15.999 > 10 57 O 0.17871355206719 0.69046934648320 0.50208834024141 15.999 > 10 58 O 0.67871355206719 0.69046934648320 0.50208834024141 15.999 > 10 59 O 0.17871355206719 0.69046934648320 0.83542167357474 15.999 > 10 60 O 0.67871355206719 0.69046934648320 0.83542167357474 15.999 > 10 61 O 0.07128644793281 0.19046934648320 0.33124499309193 15.999 > 11 62 O 0.57128644793281 0.19046934648320 0.33124499309193 15.999 > 11 63 O 0.07128644793281 0.19046934648320 0.66457832642526 15.999 > 11 64 O 0.57128644793281 0.19046934648320 0.66457832642526 15.999 > 11 65 O 0.07128644793281 0.19046934648320 0.99791165975859 15.999 > 11 66 O 0.57128644793281 0.19046934648320 0.99791165975859 15.999 > 11 67 O 0.17871355206719 0.80953065351680 0.33124499309193 15.999 > 12 68 O 0.67871355206719 0.80953065351680 0.33124499309193 15.999 > 12 69 O 0.17871355206719 0.80953065351680 0.66457832642526 15.999 > 12 70 O 0.67871355206719 0.80953065351680 0.66457832642526 15.999 > 12 71 O 0.17871355206719 0.80953065351680 0.99791165975859 15.999 > 12 72 O 0.67871355206719 0.80953065351680 0.99791165975859 15.999 > 12 73 O 0.42871355206719 0.69046934648320 0.16457832642526 15.999 > 13 74 O 0.92871355206719 0.69046934648320 0.16457832642526 15.999 > 13 75 O 0.42871355206719 0.69046934648320 0.49791165975859 15.999 > 13 76 O 0.92871355206719 0.69046934648320 0.49791165975859 15.999 > 13 77 O 0.42871355206719 0.69046934648320 0.83124499309193 15.999 > 13 78 O 0.92871355206719 0.69046934648320 0.83124499309193 15.999 > 13 79 O 0.32128644793281 0.30953065351680 0.16457832642526 15.999 > 14 80 O 0.82128644793281 0.30953065351680 0.16457832642526 15.999 > 14 81 O 0.32128644793281 0.30953065351680 0.49791165975859 15.999 > 14 82 O 0.82128644793281 0.30953065351680 0.49791165975859 15.999 > 14 83 O 0.32128644793281 0.30953065351680 0.83124499309193 15.999 > 14 84 O 0.82128644793281 0.30953065351680 0.83124499309193 15.999 > 14 85 O 0.42871355206719 0.80953065351680 0.00208834024141 15.999 > 15 86 O 0.92871355206719 0.80953065351680 0.00208834024141 15.999 > 15 87 O 0.42871355206719 0.80953065351680 0.33542167357474 15.999 > 15 88 O 0.92871355206719 0.80953065351680 0.33542167357474 15.999 > 15 89 O 0.42871355206719 0.80953065351680 0.66875500690807 15.999 > 15 90 O 0.92871355206719 0.80953065351680 0.66875500690807 15.999 > 15 91 O 0.32128644793281 0.19046934648320 0.00208834024141 15.999 > 16 92 O 0.82128644793281 0.19046934648320 0.00208834024141 15.999 > 16 93 O 0.32128644793281 0.19046934648320 0.33542167357474 15.999 > 16 94 O 0.82128644793281 0.19046934648320 0.33542167357474 15.999 > 16 95 O 0.32128644793281 0.19046934648320 0.66875500690807 15.999 > 16 96 O 0.82128644793281 0.19046934648320 0.66875500690807 15.999 > 16 *97 Nb 0.42465275439021 0.25000000000000 0.25000000000000 92.906 > 17 98 Nb 0.92465275439021 0.25000000000000 0.25000000000000 92.906 > 17 99 Nb 0.42465275439021 0.25000000000000 0.58333333333333 92.906 > 17 100 Nb 0.92465275439021 0.25000000000000 0.58333333333333 92.906 > 17 101 Nb 0.42465275439021 0.25000000000000 0.91666666666667 92.906 > 17 102 Nb 0.92465275439021 0.25000000000000 0.91666666666667 92.906 > 17 103 Nb 0.32534724560979 0.75000000000000 0.25000000000000 92.906 > 18 104 Nb 0.82534724560979 0.75000000000000 0.25000000000000 92.906 > 18 105 Nb 0.32534724560979 0.75000000000000 0.58333333333333 92.906 > 18 106 Nb 0.82534724560979 0.75000000000000 0.58333333333333 92.906 > 18 107 Nb 0.32534724560979 0.75000000000000 0.91666666666667 92.906 > 18 108 Nb 0.82534724560979 0.75000000000000 0.91666666666667 92.906 > 18 109 Nb 0.07534724560979 0.75000000000000 0.08333333333333 92.906 > 19 110 Nb 0.57534724560979 0.75000000000000 0.08333333333333 92.906 > 19 111 Nb 0.07534724560979 0.75000000000000 0.41666666666667 92.906 > 19 112 Nb 0.57534724560979 0.75000000000000 0.41666666666667 92.906 > 19 113 Nb 0.07534724560979 0.75000000000000 0.75000000000000 92.906 > 19 114 Nb 0.57534724560979 0.75000000000000 0.75000000000000 92.906 > 19 115 Nb 0.17465275439021 0.25000000000000 0.08333333333333 92.906 > 20 116 Nb 0.67465275439021 0.25000000000000 0.08333333333333 92.906 > 20 117 Nb 0.17465275439021 0.25000000000000 0.41666666666667 92.906 > 20 118 Nb 0.67465275439021 0.25000000000000 0.41666666666667 92.906 > 20 119 Nb 0.17465275439021 0.25000000000000 0.75000000000000 92.906 > 20 120 Nb 0.67465275439021 0.25000000000000 0.75000000000000 92.906 > 20 *121 Bi 0.37500000000000 0.00000000000000 0.09180604142360 208.980 > 21 122 Bi 0.87500000000000 0.00000000000000 0.09180604142360 208.980 > 21 123 Bi 0.37500000000000 0.00000000000000 0.42513937475693 208.980 > 21 124 Bi 0.87500000000000 0.00000000000000 0.42513937475693 208.980 > 21 125 Bi 0.37500000000000 0.00000000000000 0.75847270809027 208.980 > 21 126 Bi 0.87500000000000 0.00000000000000 0.75847270809027 208.980 > 21 127 Bi 0.37500000000000 0.50000000000000 0.07486062524307 208.980 > 22 128 Bi 0.87500000000000 0.50000000000000 0.07486062524307 208.980 > 22 129 Bi 0.37500000000000 0.50000000000000 0.40819395857640 208.980 > 22 130 Bi 0.87500000000000 0.50000000000000 0.40819395857640 208.980 > 22 131 Bi 0.37500000000000 0.50000000000000 0.74152729190973 208.980 > 22 132 Bi 0.87500000000000 0.50000000000000 0.74152729190973 208.980 > 22 133 Bi 0.12500000000000 0.00000000000000 0.24152729190973 208.980 > 23 134 Bi 0.62500000000000 0.00000000000000 0.24152729190973 208.980 > 23 135 Bi 0.12500000000000 0.00000000000000 0.57486062524307 208.980 > 23 136 Bi 0.62500000000000 0.00000000000000 0.57486062524307 208.980 > 23 137 Bi 0.12500000000000 0.00000000000000 0.90819395857640 208.980 > 23 138 Bi 0.62500000000000 0.00000000000000 0.90819395857640 208.980 > 23 139 Bi 0.12500000000000 0.50000000000000 0.25847270809027 208.980 > 24 140 Bi 0.62500000000000 0.50000000000000 0.25847270809027 208.980 > 24 141 Bi 0.12500000000000 0.50000000000000 0.59180604142360 208.980 > 24 142 Bi 0.62500000000000 0.50000000000000 0.59180604142360 208.980 > 24 143 Bi 0.12500000000000 0.50000000000000 0.92513937475693 208.980 > 24 144 Bi 0.62500000000000 0.50000000000000 0.92513937475693 208.980 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.0726592 0.0000000 0.0000000 0.0000000 6.8219065 0.0000000 0.0000000 0.0000000 6.3281637 -------------------------- Born effective charges -------------------------- 1 O -2.4132790 -0.4220813 0.8436801 -0.7516352 -4.1191229 -1.5380227 0.3601857 -1.4152965 -2.3449463 2 O -2.4132790 -0.4220813 -0.8436801 -0.7516352 -4.1191229 1.5380227 -0.3601857 1.4152965 -2.3449463 3 O -2.4132790 0.4220813 -0.8436801 0.7516352 -4.1191229 -1.5380227 -0.3601857 -1.4152965 -2.3449463 4 O -2.4132790 0.4220813 0.8436801 0.7516352 -4.1191229 1.5380227 0.3601857 1.4152965 -2.3449463 5 O -2.4132790 -0.4220813 0.8436801 -0.7516352 -4.1191229 -1.5380227 0.3601857 -1.4152965 -2.3449463 6 O -2.4132790 -0.4220813 -0.8436801 -0.7516352 -4.1191229 1.5380227 -0.3601857 1.4152965 -2.3449463 7 O -2.4132790 0.4220813 -0.8436801 0.7516352 -4.1191229 -1.5380227 -0.3601857 -1.4152965 -2.3449463 8 O -2.4132790 0.4220813 0.8436801 0.7516352 -4.1191229 1.5380227 0.3601857 1.4152965 -2.3449463 9 O -3.1154611 0.4065286 1.8989457 0.2108418 -2.3514639 -0.8955361 2.0308298 -1.0098628 -3.6254528 10 O -3.1154611 0.4065286 -1.8989457 0.2108418 -2.3514639 0.8955361 -2.0308298 1.0098628 -3.6254528 11 O -3.1154611 -0.4065286 -1.8989457 -0.2108418 -2.3514639 -0.8955361 -2.0308298 -1.0098628 -3.6254528 12 O -3.1154611 -0.4065286 1.8989457 -0.2108418 -2.3514639 0.8955361 2.0308298 1.0098628 -3.6254528 13 O -3.1154611 0.4065286 1.8989457 0.2108418 -2.3514639 -0.8955361 2.0308298 -1.0098628 -3.6254528 14 O -3.1154611 0.4065286 -1.8989457 0.2108418 -2.3514639 0.8955361 -2.0308298 1.0098628 -3.6254528 15 O -3.1154611 -0.4065286 -1.8989457 -0.2108418 -2.3514639 -0.8955361 -2.0308298 -1.0098628 -3.6254528 16 O -3.1154611 -0.4065286 1.8989457 -0.2108418 -2.3514639 0.8955361 2.0308298 1.0098628 -3.6254528 17 Nb 6.6987932 0.0000000 0.0000000 0.0000000 7.4849877 0.4572733 0.0000000 -0.5737871 7.8188864 18 Nb 6.6987932 0.0000000 0.0000000 0.0000000 7.4849877 -0.4572733 0.0000000 0.5737871 7.8188864 19 Nb 6.6987932 0.0000000 0.0000000 0.0000000 7.4849877 0.4572733 0.0000000 -0.5737871 7.8188864 20 Nb 6.6987932 0.0000000 0.0000000 0.0000000 7.4849877 -0.4572733 0.0000000 0.5737871 7.8188864 21 Bi 4.3586869 -0.0805956 0.0000000 -0.7035006 5.4561859 0.0000000 0.0000000 0.0000000 4.1219119 22 Bi 4.3586869 0.0805956 0.0000000 0.7035006 5.4561859 0.0000000 0.0000000 0.0000000 4.1219119 23 Bi 4.3586869 -0.0805956 0.0000000 -0.7035006 5.4561859 0.0000000 0.0000000 0.0000000 4.1219119 24 Bi 4.3586869 0.0805956 0.0000000 0.7035006 5.4561859 0.0000000 0.0000000 0.0000000 4.1219119 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 16056/16056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2057 Number of blocks in projector: 2057 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: 434 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 430 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 422 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 257 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 257 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 257 Use standard eigh solver. Tree of FC basis block matrices: - (2057, 2029), data: False |-- (257, 253), data: True |-- (257, 253), data: True |-- (257, 253), data: True |-- (422, 418), data: True |-- (430, 424), data: True |-- (434, 428), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.013 Solver_block: 100 / 400 - Time: 0.835 Solver_block: 200 / 400 - Time: 0.767 Solver_block: 300 / 400 - Time: 0.757 Solver_block: 400 / 400 - Time: 0.753 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.362 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 16056/16056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2057 Number of blocks in projector: 2057 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: 434 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 430 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 422 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 257 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 257 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 257 Use standard eigh solver. Tree of FC basis block matrices: - (2057, 2029), data: False |-- (257, 253), data: True |-- (257, 253), data: True |-- (257, 253), data: True |-- (422, 418), data: True |-- (430, 424), data: True |-- (434, 428), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 05:25:18]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:25:18]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnna (52) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.729067840000001 0.000000000000000 0.000000000000000 b 0.000000000000000 11.658109359999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.020799030000000 Atomic positions (fractional): 1 O 0.92258117961035 0.40091182037592 0.91771975184076 15.999 2 O 0.57741882038965 0.59908817962408 0.91771975184076 15.999 3 O 0.92258117961035 0.09908817962408 0.58228024815924 15.999 4 O 0.57741882038965 0.90091182037592 0.58228024815924 15.999 5 O 0.07741882038965 0.59908817962408 0.08228024815924 15.999 6 O 0.42258117961035 0.40091182037592 0.08228024815924 15.999 7 O 0.07741882038965 0.90091182037592 0.41771975184076 15.999 8 O 0.42258117961035 0.09908817962408 0.41771975184076 15.999 9 O 0.14257289586563 0.30953065351680 0.50626502072422 15.999 10 O 0.35742710413437 0.69046934648320 0.50626502072422 15.999 11 O 0.14257289586563 0.19046934648320 0.99373497927578 15.999 12 O 0.35742710413437 0.80953065351680 0.99373497927578 15.999 13 O 0.85742710413437 0.69046934648320 0.49373497927578 15.999 14 O 0.64257289586563 0.30953065351680 0.49373497927578 15.999 15 O 0.85742710413437 0.80953065351680 0.00626502072422 15.999 16 O 0.64257289586563 0.19046934648320 0.00626502072422 15.999 17 Nb 0.84930550878042 0.25000000000000 0.75000000000000 92.906 18 Nb 0.65069449121958 0.75000000000000 0.75000000000000 92.906 19 Nb 0.15069449121958 0.75000000000000 0.25000000000000 92.906 20 Nb 0.34930550878042 0.25000000000000 0.25000000000000 92.906 21 Bi 0.75000000000000 0.00000000000000 0.27541812427080 208.980 22 Bi 0.75000000000000 0.50000000000000 0.22458187572920 208.980 23 Bi 0.25000000000000 0.00000000000000 0.72458187572920 208.980 24 Bi 0.25000000000000 0.50000000000000 0.77541812427080 208.980 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.458135680000002 0.000000000000000 0.000000000000000 b 0.000000000000000 11.658109359999999 0.000000000000000 c 0.000000000000000 0.000000000000000 15.062397090000001 Atomic positions (fractional): 1 O 0.46129058980518 0.40091182037592 0.30590658394692 15.999 > 1 2 O 0.96129058980518 0.40091182037592 0.30590658394692 15.999 > 1 3 O 0.46129058980518 0.40091182037592 0.63923991728025 15.999 > 1 4 O 0.96129058980518 0.40091182037592 0.63923991728025 15.999 > 1 5 O 0.46129058980518 0.40091182037592 0.97257325061359 15.999 > 1 6 O 0.96129058980518 0.40091182037592 0.97257325061359 15.999 > 1 7 O 0.28870941019482 0.59908817962408 0.30590658394692 15.999 > 7 8 O 0.78870941019482 0.59908817962408 0.30590658394692 15.999 > 7 9 O 0.28870941019482 0.59908817962408 0.63923991728025 15.999 > 7 10 O 0.78870941019482 0.59908817962408 0.63923991728025 15.999 > 7 11 O 0.28870941019482 0.59908817962408 0.97257325061359 15.999 > 7 12 O 0.78870941019482 0.59908817962408 0.97257325061359 15.999 > 7 13 O 0.46129058980518 0.09908817962408 0.19409341605308 15.999 > 13 14 O 0.96129058980518 0.09908817962408 0.19409341605308 15.999 > 13 15 O 0.46129058980518 0.09908817962408 0.52742674938641 15.999 > 13 16 O 0.96129058980518 0.09908817962408 0.52742674938641 15.999 > 13 17 O 0.46129058980518 0.09908817962408 0.86076008271975 15.999 > 13 18 O 0.96129058980518 0.09908817962408 0.86076008271975 15.999 > 13 19 O 0.28870941019482 0.90091182037592 0.19409341605308 15.999 > 19 20 O 0.78870941019482 0.90091182037592 0.19409341605308 15.999 > 19 21 O 0.28870941019482 0.90091182037592 0.52742674938641 15.999 > 19 22 O 0.78870941019482 0.90091182037592 0.52742674938641 15.999 > 19 23 O 0.28870941019482 0.90091182037592 0.86076008271975 15.999 > 19 24 O 0.78870941019482 0.90091182037592 0.86076008271975 15.999 > 19 25 O 0.03870941019482 0.59908817962408 0.02742674938641 15.999 > 25 26 O 0.53870941019482 0.59908817962408 0.02742674938641 15.999 > 25 27 O 0.03870941019482 0.59908817962408 0.36076008271975 15.999 > 25 28 O 0.53870941019482 0.59908817962408 0.36076008271975 15.999 > 25 29 O 0.03870941019482 0.59908817962408 0.69409341605308 15.999 > 25 30 O 0.53870941019482 0.59908817962408 0.69409341605308 15.999 > 25 31 O 0.21129058980518 0.40091182037592 0.02742674938641 15.999 > 31 32 O 0.71129058980518 0.40091182037592 0.02742674938641 15.999 > 31 33 O 0.21129058980518 0.40091182037592 0.36076008271975 15.999 > 31 34 O 0.71129058980518 0.40091182037592 0.36076008271975 15.999 > 31 35 O 0.21129058980518 0.40091182037592 0.69409341605308 15.999 > 31 36 O 0.71129058980518 0.40091182037592 0.69409341605308 15.999 > 31 37 O 0.03870941019482 0.90091182037592 0.13923991728025 15.999 > 37 38 O 0.53870941019482 0.90091182037592 0.13923991728025 15.999 > 37 39 O 0.03870941019482 0.90091182037592 0.47257325061359 15.999 > 37 40 O 0.53870941019482 0.90091182037592 0.47257325061359 15.999 > 37 41 O 0.03870941019482 0.90091182037592 0.80590658394692 15.999 > 37 42 O 0.53870941019482 0.90091182037592 0.80590658394692 15.999 > 37 43 O 0.21129058980518 0.09908817962408 0.13923991728025 15.999 > 43 44 O 0.71129058980518 0.09908817962408 0.13923991728025 15.999 > 43 45 O 0.21129058980518 0.09908817962408 0.47257325061359 15.999 > 43 46 O 0.71129058980518 0.09908817962408 0.47257325061359 15.999 > 43 47 O 0.21129058980518 0.09908817962408 0.80590658394692 15.999 > 43 48 O 0.71129058980518 0.09908817962408 0.80590658394692 15.999 > 43 49 O 0.07128644793281 0.30953065351680 0.16875500690807 15.999 > 49 50 O 0.57128644793281 0.30953065351680 0.16875500690807 15.999 > 49 51 O 0.07128644793281 0.30953065351680 0.50208834024141 15.999 > 49 52 O 0.57128644793281 0.30953065351680 0.50208834024141 15.999 > 49 53 O 0.07128644793281 0.30953065351680 0.83542167357474 15.999 > 49 54 O 0.57128644793281 0.30953065351680 0.83542167357474 15.999 > 49 55 O 0.17871355206719 0.69046934648320 0.16875500690807 15.999 > 55 56 O 0.67871355206719 0.69046934648320 0.16875500690807 15.999 > 55 57 O 0.17871355206719 0.69046934648320 0.50208834024141 15.999 > 55 58 O 0.67871355206719 0.69046934648320 0.50208834024141 15.999 > 55 59 O 0.17871355206719 0.69046934648320 0.83542167357474 15.999 > 55 60 O 0.67871355206719 0.69046934648320 0.83542167357474 15.999 > 55 61 O 0.07128644793281 0.19046934648320 0.33124499309193 15.999 > 61 62 O 0.57128644793281 0.19046934648320 0.33124499309193 15.999 > 61 63 O 0.07128644793281 0.19046934648320 0.66457832642526 15.999 > 61 64 O 0.57128644793281 0.19046934648320 0.66457832642526 15.999 > 61 65 O 0.07128644793281 0.19046934648320 0.99791165975859 15.999 > 61 66 O 0.57128644793281 0.19046934648320 0.99791165975859 15.999 > 61 67 O 0.17871355206719 0.80953065351680 0.33124499309193 15.999 > 67 68 O 0.67871355206719 0.80953065351680 0.33124499309193 15.999 > 67 69 O 0.17871355206719 0.80953065351680 0.66457832642526 15.999 > 67 70 O 0.67871355206719 0.80953065351680 0.66457832642526 15.999 > 67 71 O 0.17871355206719 0.80953065351680 0.99791165975859 15.999 > 67 72 O 0.67871355206719 0.80953065351680 0.99791165975859 15.999 > 67 73 O 0.42871355206719 0.69046934648320 0.16457832642526 15.999 > 73 74 O 0.92871355206719 0.69046934648320 0.16457832642526 15.999 > 73 75 O 0.42871355206719 0.69046934648320 0.49791165975859 15.999 > 73 76 O 0.92871355206719 0.69046934648320 0.49791165975859 15.999 > 73 77 O 0.42871355206719 0.69046934648320 0.83124499309193 15.999 > 73 78 O 0.92871355206719 0.69046934648320 0.83124499309193 15.999 > 73 79 O 0.32128644793281 0.30953065351680 0.16457832642526 15.999 > 79 80 O 0.82128644793281 0.30953065351680 0.16457832642526 15.999 > 79 81 O 0.32128644793281 0.30953065351680 0.49791165975859 15.999 > 79 82 O 0.82128644793281 0.30953065351680 0.49791165975859 15.999 > 79 83 O 0.32128644793281 0.30953065351680 0.83124499309193 15.999 > 79 84 O 0.82128644793281 0.30953065351680 0.83124499309193 15.999 > 79 85 O 0.42871355206719 0.80953065351680 0.00208834024141 15.999 > 85 86 O 0.92871355206719 0.80953065351680 0.00208834024141 15.999 > 85 87 O 0.42871355206719 0.80953065351680 0.33542167357474 15.999 > 85 88 O 0.92871355206719 0.80953065351680 0.33542167357474 15.999 > 85 89 O 0.42871355206719 0.80953065351680 0.66875500690807 15.999 > 85 90 O 0.92871355206719 0.80953065351680 0.66875500690807 15.999 > 85 91 O 0.32128644793281 0.19046934648320 0.00208834024141 15.999 > 91 92 O 0.82128644793281 0.19046934648320 0.00208834024141 15.999 > 91 93 O 0.32128644793281 0.19046934648320 0.33542167357474 15.999 > 91 94 O 0.82128644793281 0.19046934648320 0.33542167357474 15.999 > 91 95 O 0.32128644793281 0.19046934648320 0.66875500690807 15.999 > 91 96 O 0.82128644793281 0.19046934648320 0.66875500690807 15.999 > 91 97 Nb 0.42465275439021 0.25000000000000 0.25000000000000 92.906 > 97 98 Nb 0.92465275439021 0.25000000000000 0.25000000000000 92.906 > 97 99 Nb 0.42465275439021 0.25000000000000 0.58333333333333 92.906 > 97 100 Nb 0.92465275439021 0.25000000000000 0.58333333333333 92.906 > 97 101 Nb 0.42465275439021 0.25000000000000 0.91666666666667 92.906 > 97 102 Nb 0.92465275439021 0.25000000000000 0.91666666666667 92.906 > 97 103 Nb 0.32534724560979 0.75000000000000 0.25000000000000 92.906 > 103 104 Nb 0.82534724560979 0.75000000000000 0.25000000000000 92.906 > 103 105 Nb 0.32534724560979 0.75000000000000 0.58333333333333 92.906 > 103 106 Nb 0.82534724560979 0.75000000000000 0.58333333333333 92.906 > 103 107 Nb 0.32534724560979 0.75000000000000 0.91666666666667 92.906 > 103 108 Nb 0.82534724560979 0.75000000000000 0.91666666666667 92.906 > 103 109 Nb 0.07534724560979 0.75000000000000 0.08333333333333 92.906 > 109 110 Nb 0.57534724560979 0.75000000000000 0.08333333333333 92.906 > 109 111 Nb 0.07534724560979 0.75000000000000 0.41666666666667 92.906 > 109 112 Nb 0.57534724560979 0.75000000000000 0.41666666666667 92.906 > 109 113 Nb 0.07534724560979 0.75000000000000 0.75000000000000 92.906 > 109 114 Nb 0.57534724560979 0.75000000000000 0.75000000000000 92.906 > 109 115 Nb 0.17465275439021 0.25000000000000 0.08333333333333 92.906 > 115 116 Nb 0.67465275439021 0.25000000000000 0.08333333333333 92.906 > 115 117 Nb 0.17465275439021 0.25000000000000 0.41666666666667 92.906 > 115 118 Nb 0.67465275439021 0.25000000000000 0.41666666666667 92.906 > 115 119 Nb 0.17465275439021 0.25000000000000 0.75000000000000 92.906 > 115 120 Nb 0.67465275439021 0.25000000000000 0.75000000000000 92.906 > 115 121 Bi 0.37500000000000 0.00000000000000 0.09180604142360 208.980 > 121 122 Bi 0.87500000000000 0.00000000000000 0.09180604142360 208.980 > 121 123 Bi 0.37500000000000 0.00000000000000 0.42513937475693 208.980 > 121 124 Bi 0.87500000000000 0.00000000000000 0.42513937475693 208.980 > 121 125 Bi 0.37500000000000 0.00000000000000 0.75847270809027 208.980 > 121 126 Bi 0.87500000000000 0.00000000000000 0.75847270809027 208.980 > 121 127 Bi 0.37500000000000 0.50000000000000 0.07486062524307 208.980 > 127 128 Bi 0.87500000000000 0.50000000000000 0.07486062524307 208.980 > 127 129 Bi 0.37500000000000 0.50000000000000 0.40819395857640 208.980 > 127 130 Bi 0.87500000000000 0.50000000000000 0.40819395857640 208.980 > 127 131 Bi 0.37500000000000 0.50000000000000 0.74152729190973 208.980 > 127 132 Bi 0.87500000000000 0.50000000000000 0.74152729190973 208.980 > 127 133 Bi 0.12500000000000 0.00000000000000 0.24152729190973 208.980 > 133 134 Bi 0.62500000000000 0.00000000000000 0.24152729190973 208.980 > 133 135 Bi 0.12500000000000 0.00000000000000 0.57486062524307 208.980 > 133 136 Bi 0.62500000000000 0.00000000000000 0.57486062524307 208.980 > 133 137 Bi 0.12500000000000 0.00000000000000 0.90819395857640 208.980 > 133 138 Bi 0.62500000000000 0.00000000000000 0.90819395857640 208.980 > 133 139 Bi 0.12500000000000 0.50000000000000 0.25847270809027 208.980 > 139 140 Bi 0.62500000000000 0.50000000000000 0.25847270809027 208.980 > 139 141 Bi 0.12500000000000 0.50000000000000 0.59180604142360 208.980 > 139 142 Bi 0.62500000000000 0.50000000000000 0.59180604142360 208.980 > 139 143 Bi 0.12500000000000 0.50000000000000 0.92513937475693 208.980 > 139 144 Bi 0.62500000000000 0.50000000000000 0.92513937475693 208.980 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.0726592 0.0000000 0.0000000 0.0000000 6.8219065 0.0000000 0.0000000 0.0000000 6.3281637 -------------------------- Born effective charges -------------------------- 1 O -2.4132790 -0.4220813 0.8436801 -0.7516352 -4.1191229 -1.5380227 0.3601857 -1.4152965 -2.3449463 2 O -2.4132790 -0.4220813 -0.8436801 -0.7516352 -4.1191229 1.5380227 -0.3601857 1.4152965 -2.3449463 3 O -2.4132790 0.4220813 -0.8436801 0.7516352 -4.1191229 -1.5380227 -0.3601857 -1.4152965 -2.3449463 4 O -2.4132790 0.4220813 0.8436801 0.7516352 -4.1191229 1.5380227 0.3601857 1.4152965 -2.3449463 5 O -2.4132790 -0.4220813 0.8436801 -0.7516352 -4.1191229 -1.5380227 0.3601857 -1.4152965 -2.3449463 6 O -2.4132790 -0.4220813 -0.8436801 -0.7516352 -4.1191229 1.5380227 -0.3601857 1.4152965 -2.3449463 7 O -2.4132790 0.4220813 -0.8436801 0.7516352 -4.1191229 -1.5380227 -0.3601857 -1.4152965 -2.3449463 8 O -2.4132790 0.4220813 0.8436801 0.7516352 -4.1191229 1.5380227 0.3601857 1.4152965 -2.3449463 9 O -3.1154611 0.4065286 1.8989457 0.2108418 -2.3514639 -0.8955361 2.0308298 -1.0098628 -3.6254528 10 O -3.1154611 0.4065286 -1.8989457 0.2108418 -2.3514639 0.8955361 -2.0308298 1.0098628 -3.6254528 11 O -3.1154611 -0.4065286 -1.8989457 -0.2108418 -2.3514639 -0.8955361 -2.0308298 -1.0098628 -3.6254528 12 O -3.1154611 -0.4065286 1.8989457 -0.2108418 -2.3514639 0.8955361 2.0308298 1.0098628 -3.6254528 13 O -3.1154611 0.4065286 1.8989457 0.2108418 -2.3514639 -0.8955361 2.0308298 -1.0098628 -3.6254528 14 O -3.1154611 0.4065286 -1.8989457 0.2108418 -2.3514639 0.8955361 -2.0308298 1.0098628 -3.6254528 15 O -3.1154611 -0.4065286 -1.8989457 -0.2108418 -2.3514639 -0.8955361 -2.0308298 -1.0098628 -3.6254528 16 O -3.1154611 -0.4065286 1.8989457 -0.2108418 -2.3514639 0.8955361 2.0308298 1.0098628 -3.6254528 17 Nb 6.6987932 0.0000000 0.0000000 0.0000000 7.4849877 0.4572733 0.0000000 -0.5737871 7.8188864 18 Nb 6.6987932 0.0000000 0.0000000 0.0000000 7.4849877 -0.4572733 0.0000000 0.5737871 7.8188864 19 Nb 6.6987932 0.0000000 0.0000000 0.0000000 7.4849877 0.4572733 0.0000000 -0.5737871 7.8188864 20 Nb 6.6987932 0.0000000 0.0000000 0.0000000 7.4849877 -0.4572733 0.0000000 0.5737871 7.8188864 21 Bi 4.3586869 -0.0805956 0.0000000 -0.7035006 5.4561859 0.0000000 0.0000000 0.0000000 4.1219119 22 Bi 4.3586869 0.0805956 0.0000000 0.7035006 5.4561859 0.0000000 0.0000000 0.0000000 4.1219119 23 Bi 4.3586869 -0.0805956 0.0000000 -0.7035006 5.4561859 0.0000000 0.0000000 0.0000000 4.1219119 24 Bi 4.3586869 0.0805956 0.0000000 0.7035006 5.4561859 0.0000000 0.0000000 0.0000000 4.1219119 ---------------------------------------------------------------------------- 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[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 121, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xy) 0.00000000 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:25:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:25:46]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnna (52) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.729067840000001 0.000000000000000 0.000000000000000 b 0.000000000000000 11.658109359999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.020799030000000 Atomic positions (fractional): 1 O 0.92258117961035 0.40091182037592 0.91771975184076 15.999 2 O 0.57741882038965 0.59908817962408 0.91771975184076 15.999 3 O 0.92258117961035 0.09908817962408 0.58228024815924 15.999 4 O 0.57741882038965 0.90091182037592 0.58228024815924 15.999 5 O 0.07741882038965 0.59908817962408 0.08228024815924 15.999 6 O 0.42258117961035 0.40091182037592 0.08228024815924 15.999 7 O 0.07741882038965 0.90091182037592 0.41771975184076 15.999 8 O 0.42258117961035 0.09908817962408 0.41771975184076 15.999 9 O 0.14257289586563 0.30953065351680 0.50626502072422 15.999 10 O 0.35742710413437 0.69046934648320 0.50626502072422 15.999 11 O 0.14257289586563 0.19046934648320 0.99373497927578 15.999 12 O 0.35742710413437 0.80953065351680 0.99373497927578 15.999 13 O 0.85742710413437 0.69046934648320 0.49373497927578 15.999 14 O 0.64257289586563 0.30953065351680 0.49373497927578 15.999 15 O 0.85742710413437 0.80953065351680 0.00626502072422 15.999 16 O 0.64257289586563 0.19046934648320 0.00626502072422 15.999 17 Nb 0.84930550878042 0.25000000000000 0.75000000000000 92.906 18 Nb 0.65069449121958 0.75000000000000 0.75000000000000 92.906 19 Nb 0.15069449121958 0.75000000000000 0.25000000000000 92.906 20 Nb 0.34930550878042 0.25000000000000 0.25000000000000 92.906 21 Bi 0.75000000000000 0.00000000000000 0.27541812427080 208.980 22 Bi 0.75000000000000 0.50000000000000 0.22458187572920 208.980 23 Bi 0.25000000000000 0.00000000000000 0.72458187572920 208.980 24 Bi 0.25000000000000 0.50000000000000 0.77541812427080 208.980 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.458135680000002 0.000000000000000 0.000000000000000 b 0.000000000000000 11.658109359999999 0.000000000000000 c 0.000000000000000 0.000000000000000 15.062397090000001 Atomic positions (fractional): 1 O 0.46129058980518 0.40091182037592 0.30590658394692 15.999 > 1 2 O 0.96129058980518 0.40091182037592 0.30590658394692 15.999 > 1 3 O 0.46129058980518 0.40091182037592 0.63923991728025 15.999 > 1 4 O 0.96129058980518 0.40091182037592 0.63923991728025 15.999 > 1 5 O 0.46129058980518 0.40091182037592 0.97257325061359 15.999 > 1 6 O 0.96129058980518 0.40091182037592 0.97257325061359 15.999 > 1 7 O 0.28870941019482 0.59908817962408 0.30590658394692 15.999 > 7 8 O 0.78870941019482 0.59908817962408 0.30590658394692 15.999 > 7 9 O 0.28870941019482 0.59908817962408 0.63923991728025 15.999 > 7 10 O 0.78870941019482 0.59908817962408 0.63923991728025 15.999 > 7 11 O 0.28870941019482 0.59908817962408 0.97257325061359 15.999 > 7 12 O 0.78870941019482 0.59908817962408 0.97257325061359 15.999 > 7 13 O 0.46129058980518 0.09908817962408 0.19409341605308 15.999 > 13 14 O 0.96129058980518 0.09908817962408 0.19409341605308 15.999 > 13 15 O 0.46129058980518 0.09908817962408 0.52742674938641 15.999 > 13 16 O 0.96129058980518 0.09908817962408 0.52742674938641 15.999 > 13 17 O 0.46129058980518 0.09908817962408 0.86076008271975 15.999 > 13 18 O 0.96129058980518 0.09908817962408 0.86076008271975 15.999 > 13 19 O 0.28870941019482 0.90091182037592 0.19409341605308 15.999 > 19 20 O 0.78870941019482 0.90091182037592 0.19409341605308 15.999 > 19 21 O 0.28870941019482 0.90091182037592 0.52742674938641 15.999 > 19 22 O 0.78870941019482 0.90091182037592 0.52742674938641 15.999 > 19 23 O 0.28870941019482 0.90091182037592 0.86076008271975 15.999 > 19 24 O 0.78870941019482 0.90091182037592 0.86076008271975 15.999 > 19 25 O 0.03870941019482 0.59908817962408 0.02742674938641 15.999 > 25 26 O 0.53870941019482 0.59908817962408 0.02742674938641 15.999 > 25 27 O 0.03870941019482 0.59908817962408 0.36076008271975 15.999 > 25 28 O 0.53870941019482 0.59908817962408 0.36076008271975 15.999 > 25 29 O 0.03870941019482 0.59908817962408 0.69409341605308 15.999 > 25 30 O 0.53870941019482 0.59908817962408 0.69409341605308 15.999 > 25 31 O 0.21129058980518 0.40091182037592 0.02742674938641 15.999 > 31 32 O 0.71129058980518 0.40091182037592 0.02742674938641 15.999 > 31 33 O 0.21129058980518 0.40091182037592 0.36076008271975 15.999 > 31 34 O 0.71129058980518 0.40091182037592 0.36076008271975 15.999 > 31 35 O 0.21129058980518 0.40091182037592 0.69409341605308 15.999 > 31 36 O 0.71129058980518 0.40091182037592 0.69409341605308 15.999 > 31 37 O 0.03870941019482 0.90091182037592 0.13923991728025 15.999 > 37 38 O 0.53870941019482 0.90091182037592 0.13923991728025 15.999 > 37 39 O 0.03870941019482 0.90091182037592 0.47257325061359 15.999 > 37 40 O 0.53870941019482 0.90091182037592 0.47257325061359 15.999 > 37 41 O 0.03870941019482 0.90091182037592 0.80590658394692 15.999 > 37 42 O 0.53870941019482 0.90091182037592 0.80590658394692 15.999 > 37 43 O 0.21129058980518 0.09908817962408 0.13923991728025 15.999 > 43 44 O 0.71129058980518 0.09908817962408 0.13923991728025 15.999 > 43 45 O 0.21129058980518 0.09908817962408 0.47257325061359 15.999 > 43 46 O 0.71129058980518 0.09908817962408 0.47257325061359 15.999 > 43 47 O 0.21129058980518 0.09908817962408 0.80590658394692 15.999 > 43 48 O 0.71129058980518 0.09908817962408 0.80590658394692 15.999 > 43 49 O 0.07128644793281 0.30953065351680 0.16875500690807 15.999 > 49 50 O 0.57128644793281 0.30953065351680 0.16875500690807 15.999 > 49 51 O 0.07128644793281 0.30953065351680 0.50208834024141 15.999 > 49 52 O 0.57128644793281 0.30953065351680 0.50208834024141 15.999 > 49 53 O 0.07128644793281 0.30953065351680 0.83542167357474 15.999 > 49 54 O 0.57128644793281 0.30953065351680 0.83542167357474 15.999 > 49 55 O 0.17871355206719 0.69046934648320 0.16875500690807 15.999 > 55 56 O 0.67871355206719 0.69046934648320 0.16875500690807 15.999 > 55 57 O 0.17871355206719 0.69046934648320 0.50208834024141 15.999 > 55 58 O 0.67871355206719 0.69046934648320 0.50208834024141 15.999 > 55 59 O 0.17871355206719 0.69046934648320 0.83542167357474 15.999 > 55 60 O 0.67871355206719 0.69046934648320 0.83542167357474 15.999 > 55 61 O 0.07128644793281 0.19046934648320 0.33124499309193 15.999 > 61 62 O 0.57128644793281 0.19046934648320 0.33124499309193 15.999 > 61 63 O 0.07128644793281 0.19046934648320 0.66457832642526 15.999 > 61 64 O 0.57128644793281 0.19046934648320 0.66457832642526 15.999 > 61 65 O 0.07128644793281 0.19046934648320 0.99791165975859 15.999 > 61 66 O 0.57128644793281 0.19046934648320 0.99791165975859 15.999 > 61 67 O 0.17871355206719 0.80953065351680 0.33124499309193 15.999 > 67 68 O 0.67871355206719 0.80953065351680 0.33124499309193 15.999 > 67 69 O 0.17871355206719 0.80953065351680 0.66457832642526 15.999 > 67 70 O 0.67871355206719 0.80953065351680 0.66457832642526 15.999 > 67 71 O 0.17871355206719 0.80953065351680 0.99791165975859 15.999 > 67 72 O 0.67871355206719 0.80953065351680 0.99791165975859 15.999 > 67 73 O 0.42871355206719 0.69046934648320 0.16457832642526 15.999 > 73 74 O 0.92871355206719 0.69046934648320 0.16457832642526 15.999 > 73 75 O 0.42871355206719 0.69046934648320 0.49791165975859 15.999 > 73 76 O 0.92871355206719 0.69046934648320 0.49791165975859 15.999 > 73 77 O 0.42871355206719 0.69046934648320 0.83124499309193 15.999 > 73 78 O 0.92871355206719 0.69046934648320 0.83124499309193 15.999 > 73 79 O 0.32128644793281 0.30953065351680 0.16457832642526 15.999 > 79 80 O 0.82128644793281 0.30953065351680 0.16457832642526 15.999 > 79 81 O 0.32128644793281 0.30953065351680 0.49791165975859 15.999 > 79 82 O 0.82128644793281 0.30953065351680 0.49791165975859 15.999 > 79 83 O 0.32128644793281 0.30953065351680 0.83124499309193 15.999 > 79 84 O 0.82128644793281 0.30953065351680 0.83124499309193 15.999 > 79 85 O 0.42871355206719 0.80953065351680 0.00208834024141 15.999 > 85 86 O 0.92871355206719 0.80953065351680 0.00208834024141 15.999 > 85 87 O 0.42871355206719 0.80953065351680 0.33542167357474 15.999 > 85 88 O 0.92871355206719 0.80953065351680 0.33542167357474 15.999 > 85 89 O 0.42871355206719 0.80953065351680 0.66875500690807 15.999 > 85 90 O 0.92871355206719 0.80953065351680 0.66875500690807 15.999 > 85 91 O 0.32128644793281 0.19046934648320 0.00208834024141 15.999 > 91 92 O 0.82128644793281 0.19046934648320 0.00208834024141 15.999 > 91 93 O 0.32128644793281 0.19046934648320 0.33542167357474 15.999 > 91 94 O 0.82128644793281 0.19046934648320 0.33542167357474 15.999 > 91 95 O 0.32128644793281 0.19046934648320 0.66875500690807 15.999 > 91 96 O 0.82128644793281 0.19046934648320 0.66875500690807 15.999 > 91 97 Nb 0.42465275439021 0.25000000000000 0.25000000000000 92.906 > 97 98 Nb 0.92465275439021 0.25000000000000 0.25000000000000 92.906 > 97 99 Nb 0.42465275439021 0.25000000000000 0.58333333333333 92.906 > 97 100 Nb 0.92465275439021 0.25000000000000 0.58333333333333 92.906 > 97 101 Nb 0.42465275439021 0.25000000000000 0.91666666666667 92.906 > 97 102 Nb 0.92465275439021 0.25000000000000 0.91666666666667 92.906 > 97 103 Nb 0.32534724560979 0.75000000000000 0.25000000000000 92.906 > 103 104 Nb 0.82534724560979 0.75000000000000 0.25000000000000 92.906 > 103 105 Nb 0.32534724560979 0.75000000000000 0.58333333333333 92.906 > 103 106 Nb 0.82534724560979 0.75000000000000 0.58333333333333 92.906 > 103 107 Nb 0.32534724560979 0.75000000000000 0.91666666666667 92.906 > 103 108 Nb 0.82534724560979 0.75000000000000 0.91666666666667 92.906 > 103 109 Nb 0.07534724560979 0.75000000000000 0.08333333333333 92.906 > 109 110 Nb 0.57534724560979 0.75000000000000 0.08333333333333 92.906 > 109 111 Nb 0.07534724560979 0.75000000000000 0.41666666666667 92.906 > 109 112 Nb 0.57534724560979 0.75000000000000 0.41666666666667 92.906 > 109 113 Nb 0.07534724560979 0.75000000000000 0.75000000000000 92.906 > 109 114 Nb 0.57534724560979 0.75000000000000 0.75000000000000 92.906 > 109 115 Nb 0.17465275439021 0.25000000000000 0.08333333333333 92.906 > 115 116 Nb 0.67465275439021 0.25000000000000 0.08333333333333 92.906 > 115 117 Nb 0.17465275439021 0.25000000000000 0.41666666666667 92.906 > 115 118 Nb 0.67465275439021 0.25000000000000 0.41666666666667 92.906 > 115 119 Nb 0.17465275439021 0.25000000000000 0.75000000000000 92.906 > 115 120 Nb 0.67465275439021 0.25000000000000 0.75000000000000 92.906 > 115 121 Bi 0.37500000000000 0.00000000000000 0.09180604142360 208.980 > 121 122 Bi 0.87500000000000 0.00000000000000 0.09180604142360 208.980 > 121 123 Bi 0.37500000000000 0.00000000000000 0.42513937475693 208.980 > 121 124 Bi 0.87500000000000 0.00000000000000 0.42513937475693 208.980 > 121 125 Bi 0.37500000000000 0.00000000000000 0.75847270809027 208.980 > 121 126 Bi 0.87500000000000 0.00000000000000 0.75847270809027 208.980 > 121 127 Bi 0.37500000000000 0.50000000000000 0.07486062524307 208.980 > 127 128 Bi 0.87500000000000 0.50000000000000 0.07486062524307 208.980 > 127 129 Bi 0.37500000000000 0.50000000000000 0.40819395857640 208.980 > 127 130 Bi 0.87500000000000 0.50000000000000 0.40819395857640 208.980 > 127 131 Bi 0.37500000000000 0.50000000000000 0.74152729190973 208.980 > 127 132 Bi 0.87500000000000 0.50000000000000 0.74152729190973 208.980 > 127 133 Bi 0.12500000000000 0.00000000000000 0.24152729190973 208.980 > 133 134 Bi 0.62500000000000 0.00000000000000 0.24152729190973 208.980 > 133 135 Bi 0.12500000000000 0.00000000000000 0.57486062524307 208.980 > 133 136 Bi 0.62500000000000 0.00000000000000 0.57486062524307 208.980 > 133 137 Bi 0.12500000000000 0.00000000000000 0.90819395857640 208.980 > 133 138 Bi 0.62500000000000 0.00000000000000 0.90819395857640 208.980 > 133 139 Bi 0.12500000000000 0.50000000000000 0.25847270809027 208.980 > 139 140 Bi 0.62500000000000 0.50000000000000 0.25847270809027 208.980 > 139 141 Bi 0.12500000000000 0.50000000000000 0.59180604142360 208.980 > 139 142 Bi 0.62500000000000 0.50000000000000 0.59180604142360 208.980 > 139 143 Bi 0.12500000000000 0.50000000000000 0.92513937475693 208.980 > 139 144 Bi 0.62500000000000 0.50000000000000 0.92513937475693 208.980 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.0726592 0.0000000 0.0000000 0.0000000 6.8219065 0.0000000 0.0000000 0.0000000 6.3281637 -------------------------- Born effective charges -------------------------- 1 O -2.4132790 -0.4220813 0.8436801 -0.7516352 -4.1191229 -1.5380227 0.3601857 -1.4152965 -2.3449463 2 O -2.4132790 -0.4220813 -0.8436801 -0.7516352 -4.1191229 1.5380227 -0.3601857 1.4152965 -2.3449463 3 O -2.4132790 0.4220813 -0.8436801 0.7516352 -4.1191229 -1.5380227 -0.3601857 -1.4152965 -2.3449463 4 O -2.4132790 0.4220813 0.8436801 0.7516352 -4.1191229 1.5380227 0.3601857 1.4152965 -2.3449463 5 O -2.4132790 -0.4220813 0.8436801 -0.7516352 -4.1191229 -1.5380227 0.3601857 -1.4152965 -2.3449463 6 O -2.4132790 -0.4220813 -0.8436801 -0.7516352 -4.1191229 1.5380227 -0.3601857 1.4152965 -2.3449463 7 O -2.4132790 0.4220813 -0.8436801 0.7516352 -4.1191229 -1.5380227 -0.3601857 -1.4152965 -2.3449463 8 O -2.4132790 0.4220813 0.8436801 0.7516352 -4.1191229 1.5380227 0.3601857 1.4152965 -2.3449463 9 O -3.1154611 0.4065286 1.8989457 0.2108418 -2.3514639 -0.8955361 2.0308298 -1.0098628 -3.6254528 10 O -3.1154611 0.4065286 -1.8989457 0.2108418 -2.3514639 0.8955361 -2.0308298 1.0098628 -3.6254528 11 O -3.1154611 -0.4065286 -1.8989457 -0.2108418 -2.3514639 -0.8955361 -2.0308298 -1.0098628 -3.6254528 12 O -3.1154611 -0.4065286 1.8989457 -0.2108418 -2.3514639 0.8955361 2.0308298 1.0098628 -3.6254528 13 O -3.1154611 0.4065286 1.8989457 0.2108418 -2.3514639 -0.8955361 2.0308298 -1.0098628 -3.6254528 14 O -3.1154611 0.4065286 -1.8989457 0.2108418 -2.3514639 0.8955361 -2.0308298 1.0098628 -3.6254528 15 O -3.1154611 -0.4065286 -1.8989457 -0.2108418 -2.3514639 -0.8955361 -2.0308298 -1.0098628 -3.6254528 16 O -3.1154611 -0.4065286 1.8989457 -0.2108418 -2.3514639 0.8955361 2.0308298 1.0098628 -3.6254528 17 Nb 6.6987932 0.0000000 0.0000000 0.0000000 7.4849877 0.4572733 0.0000000 -0.5737871 7.8188864 18 Nb 6.6987932 0.0000000 0.0000000 0.0000000 7.4849877 -0.4572733 0.0000000 0.5737871 7.8188864 19 Nb 6.6987932 0.0000000 0.0000000 0.0000000 7.4849877 0.4572733 0.0000000 -0.5737871 7.8188864 20 Nb 6.6987932 0.0000000 0.0000000 0.0000000 7.4849877 -0.4572733 0.0000000 0.5737871 7.8188864 21 Bi 4.3586869 -0.0805956 0.0000000 -0.7035006 5.4561859 0.0000000 0.0000000 0.0000000 4.1219119 22 Bi 4.3586869 0.0805956 0.0000000 0.7035006 5.4561859 0.0000000 0.0000000 0.0000000 4.1219119 23 Bi 4.3586869 -0.0805956 0.0000000 -0.7035006 5.4561859 0.0000000 0.0000000 0.0000000 4.1219119 24 Bi 4.3586869 0.0805956 0.0000000 0.7035006 5.4561859 0.0000000 0.0000000 0.0000000 4.1219119 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 4 10 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.60, Number of G-points: 305, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/90) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.472 ( 0.000 0.000 0.000) 0.000 1.188 ( 0.000 0.000 0.000) 0.000 1.951 ( 0.000 0.000 0.000) 0.000 2.375 ( 0.000 0.000 0.000) 0.000 2.405 ( 0.000 0.000 0.000) 0.000 2.528 ( 0.000 0.000 0.000) 0.000 2.618 ( 0.000 0.000 0.000) 0.000 2.921 ( 0.000 0.000 0.000) 0.000 2.970 ( 0.000 0.000 0.000) 0.000 3.150 ( 0.000 0.000 0.000) 0.000 3.234 ( 0.000 0.000 0.000) 0.000 3.362 ( 0.000 0.000 0.000) 0.000 3.497 ( 0.000 0.000 0.000) 0.000 3.666 ( 0.000 0.000 0.000) 0.000 3.932 ( 0.000 0.000 0.000) 0.000 4.171 ( 0.000 0.000 0.000) 0.000 4.227 ( 0.000 0.000 0.000) 0.000 4.590 ( 0.000 0.000 0.000) 0.000 4.718 ( 0.000 0.000 0.000) 0.000 4.954 ( 0.000 0.000 0.000) 0.000 5.124 ( 0.000 0.000 0.000) 0.000 5.628 ( 0.000 0.000 0.000) 0.000 5.720 ( 0.000 0.000 0.000) 0.000 6.000 ( 0.000 0.000 0.000) 0.000 6.466 ( 0.000 0.000 0.000) 0.000 6.637 ( 0.000 0.000 0.000) 0.000 6.751 ( 0.000 0.000 0.000) 0.000 6.752 ( 0.000 0.000 0.000) 0.000 7.441 ( 0.000 0.000 0.000) 0.000 7.577 ( 0.000 0.000 0.000) 0.000 7.582 ( 0.000 0.000 0.000) 0.000 7.594 ( 0.000 0.000 0.000) 0.000 7.884 ( 0.000 0.000 0.000) 0.000 8.145 ( 0.000 0.000 0.000) 0.000 8.276 ( 0.000 0.000 0.000) 0.000 9.383 ( 0.000 0.000 0.000) 0.000 9.408 ( 0.000 0.000 0.000) 0.000 9.573 ( 0.000 0.000 0.000) 0.000 9.938 ( 0.000 0.000 0.000) 0.000 10.084 ( 0.000 0.000 0.000) 0.000 10.102 ( 0.000 0.000 0.000) 0.000 10.156 ( 0.000 0.000 0.000) 0.000 10.602 ( 0.000 0.000 0.000) 0.000 10.637 ( 0.000 0.000 0.000) 0.000 10.641 ( 0.000 0.000 0.000) 0.000 11.030 ( 0.000 0.000 0.000) 0.000 11.268 ( 0.000 0.000 0.000) 0.000 12.579 ( 0.000 0.000 0.000) 0.000 12.720 ( 0.000 0.000 0.000) 0.000 12.737 ( 0.000 0.000 0.000) 0.000 12.915 ( 0.000 0.000 0.000) 0.000 13.561 ( 0.000 0.000 0.000) 0.000 15.195 ( 0.000 0.000 0.000) 0.000 15.311 ( 0.000 0.000 0.000) 0.000 15.440 ( 0.000 0.000 0.000) 0.000 16.250 ( 0.000 0.000 0.000) 0.000 17.210 ( 0.000 0.000 0.000) 0.000 18.131 ( 0.000 0.000 0.000) 0.000 18.233 ( 0.000 0.000 0.000) 0.000 18.422 ( 0.000 0.000 0.000) 0.000 18.624 ( 0.000 0.000 0.000) 0.000 18.641 ( 0.000 0.000 0.000) 0.000 20.297 ( 0.000 0.000 0.000) 0.000 20.566 ( 0.000 0.000 0.000) 0.000 21.078 ( 0.000 0.000 0.000) 0.000 21.850 ( 0.000 0.000 0.000) 0.000 22.875 ( 0.000 0.000 0.000) 0.000 25.584 ( 0.000 0.000 0.000) 0.000 25.596 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/90) ======================= q-point: ( 0.11 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.273 ( 17.528 0.000 0.000) 17.528 0.342 ( 19.501 0.000 0.000) 19.501 0.823 ( 26.440 0.000 0.000) 26.440 0.910 ( 42.864 0.000 0.000) 42.864 1.274 ( 8.176 0.000 0.000) 8.176 1.992 ( 4.156 0.000 0.000) 4.156 2.388 ( -1.441 0.000 0.000) 1.441 2.570 ( 19.504 0.000 0.000) 19.504 2.641 ( 2.659 0.000 0.000) 2.659 2.784 ( 24.393 0.000 0.000) 24.393 2.989 ( -0.822 0.000 0.000) 0.822 3.090 ( 13.131 0.000 0.000) 13.131 3.203 ( 10.997 0.000 0.000) 10.997 3.333 ( 9.902 0.000 0.000) 9.902 3.345 ( -2.143 0.000 0.000) 2.143 3.539 ( 4.529 0.000 0.000) 4.529 3.905 ( -6.835 0.000 0.000) 6.835 4.037 ( 10.595 0.000 0.000) 10.595 4.180 ( 0.718 0.000 0.000) 0.718 4.336 ( 6.785 0.000 0.000) 6.785 4.617 ( -10.758 0.000 0.000) 10.758 4.690 ( 9.548 0.000 0.000) 9.548 4.852 ( -9.383 0.000 0.000) 9.383 5.291 ( 12.007 0.000 0.000) 12.007 5.705 ( 7.026 0.000 0.000) 7.026 5.706 ( -1.573 0.000 0.000) 1.573 5.838 ( -15.399 0.000 0.000) 15.399 6.448 ( -1.832 0.000 0.000) 1.832 6.467 ( -7.317 0.000 0.000) 7.317 6.800 ( 4.861 0.000 0.000) 4.861 6.989 ( 12.061 0.000 0.000) 12.061 7.508 ( -6.862 0.000 0.000) 6.862 7.570 ( -1.291 0.000 0.000) 1.291 7.821 ( -6.270 0.000 0.000) 6.270 7.830 ( 21.065 0.000 0.000) 21.065 7.909 ( 14.116 0.000 0.000) 14.116 8.098 ( -4.676 0.000 0.000) 4.676 8.205 ( -7.383 0.000 0.000) 7.383 9.346 ( -2.783 0.000 0.000) 2.783 9.398 ( -1.172 0.000 0.000) 1.172 9.491 ( -7.671 0.000 0.000) 7.671 9.851 ( -8.577 0.000 0.000) 8.577 9.962 ( -12.088 0.000 0.000) 12.088 10.102 ( -5.464 0.000 0.000) 5.464 10.527 ( -8.060 0.000 0.000) 8.060 10.544 ( -5.068 0.000 0.000) 5.068 10.656 ( 0.296 0.000 0.000) 0.296 10.677 ( -0.367 0.000 0.000) 0.367 11.183 ( 13.265 0.000 0.000) 13.265 12.527 ( -5.207 0.000 0.000) 5.207 12.714 ( -0.520 0.000 0.000) 0.520 12.749 ( 1.290 0.000 0.000) 1.290 12.924 ( 1.151 0.000 0.000) 1.151 13.574 ( 1.014 0.000 0.000) 1.014 14.268 ( 4.662 0.000 0.000) 4.662 15.245 ( 4.752 0.000 0.000) 4.752 15.329 ( 1.769 0.000 0.000) 1.769 15.397 ( -4.314 0.000 0.000) 4.314 16.411 ( 16.393 0.000 0.000) 16.393 17.170 ( -3.954 0.000 0.000) 3.954 17.945 ( -24.937 0.000 0.000) 24.937 18.370 ( -1.152 0.000 0.000) 1.152 18.711 ( 6.965 0.000 0.000) 6.965 18.818 ( 15.781 0.000 0.000) 15.781 20.228 ( -7.153 0.000 0.000) 7.153 20.490 ( -7.903 0.000 0.000) 7.903 20.977 ( 9.337 0.000 0.000) 9.337 21.784 ( 7.044 0.000 0.000) 7.044 22.665 ( -20.806 0.000 0.000) 20.806 22.991 ( 23.359 0.000 0.000) 23.359 25.484 ( -7.025 0.000 0.000) 7.025 25.626 ( -0.474 0.000 0.000) 0.474 ======================= Grid point 2 (3/90) ======================= q-point: ( 0.22 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.647 ( 19.493 0.000 0.000) 19.493 0.742 ( 20.609 0.000 0.000) 20.609 1.308 ( 22.232 0.000 0.000) 22.232 1.464 ( 10.240 0.000 0.000) 10.240 1.597 ( 27.285 0.000 0.000) 27.285 2.096 ( 5.725 0.000 0.000) 5.725 2.375 ( 1.206 0.000 0.000) 1.206 2.735 ( 7.287 0.000 0.000) 7.287 2.893 ( -7.127 0.000 0.000) 7.127 3.030 ( 21.601 0.000 0.000) 21.601 3.273 ( -5.091 0.000 0.000) 5.091 3.378 ( 17.237 0.000 0.000) 17.237 3.384 ( 35.331 0.000 0.000) 35.331 3.576 ( 17.563 0.000 0.000) 17.563 3.601 ( 21.088 0.000 0.000) 21.088 3.674 ( 9.109 0.000 0.000) 9.109 3.809 ( -1.728 0.000 0.000) 1.728 4.187 ( -0.311 0.000 0.000) 0.311 4.318 ( 17.258 0.000 0.000) 17.258 4.371 ( 3.259 0.000 0.000) 3.259 4.639 ( 10.940 0.000 0.000) 10.940 4.648 ( -9.716 0.000 0.000) 9.716 4.917 ( 12.730 0.000 0.000) 12.730 5.485 ( -19.334 0.000 0.000) 19.334 5.548 ( 14.927 0.000 0.000) 14.927 5.654 ( -3.876 0.000 0.000) 3.876 5.861 ( 8.009 0.000 0.000) 8.009 6.341 ( -7.242 0.000 0.000) 7.242 6.397 ( -3.282 0.000 0.000) 3.282 6.921 ( 6.620 0.000 0.000) 6.620 7.094 ( -2.966 0.000 0.000) 2.966 7.332 ( -10.228 0.000 0.000) 10.228 7.529 ( -2.941 0.000 0.000) 2.941 7.656 ( -10.081 0.000 0.000) 10.081 7.977 ( -7.402 0.000 0.000) 7.402 7.980 ( -16.240 0.000 0.000) 16.240 8.205 ( 20.308 0.000 0.000) 20.308 8.410 ( 31.516 0.000 0.000) 31.516 9.302 ( -5.599 0.000 0.000) 5.599 9.355 ( -3.603 0.000 0.000) 3.603 9.358 ( 0.725 0.000 0.000) 0.725 9.632 ( -13.060 0.000 0.000) 13.060 9.720 ( -11.178 0.000 0.000) 11.178 9.958 ( -8.828 0.000 0.000) 8.828 10.333 ( -11.712 0.000 0.000) 11.712 10.404 ( -9.539 0.000 0.000) 9.539 10.621 ( -4.369 0.000 0.000) 4.369 10.628 ( -4.687 0.000 0.000) 4.687 11.461 ( 14.205 0.000 0.000) 14.205 12.392 ( -8.251 0.000 0.000) 8.251 12.706 ( -0.129 0.000 0.000) 0.129 12.782 ( 1.861 0.000 0.000) 1.861 12.968 ( 3.660 0.000 0.000) 3.660 13.583 ( -0.589 0.000 0.000) 0.589 14.392 ( 7.890 0.000 0.000) 7.890 15.282 ( -7.318 0.000 0.000) 7.318 15.355 ( 5.794 0.000 0.000) 5.794 15.374 ( 2.747 0.000 0.000) 2.747 16.865 ( 29.700 0.000 0.000) 29.700 17.067 ( -6.343 0.000 0.000) 6.343 17.436 ( -24.822 0.000 0.000) 24.822 18.436 ( 8.239 0.000 0.000) 8.239 18.899 ( 12.171 0.000 0.000) 12.171 19.177 ( 20.832 0.000 0.000) 20.832 20.020 ( -14.468 0.000 0.000) 14.468 20.259 ( -15.844 0.000 0.000) 15.844 20.793 ( -20.947 0.000 0.000) 20.947 22.119 ( -33.836 0.000 0.000) 33.836 22.382 ( 45.235 0.000 0.000) 45.235 23.493 ( 27.048 0.000 0.000) 27.048 25.316 ( -10.449 0.000 0.000) 10.449 25.558 ( -6.967 0.000 0.000) 6.967 ======================= Grid point 3 (4/90) ======================= q-point: ( 0.33 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( 14.515 0.000 0.000) 14.515 1.090 ( 13.957 0.000 0.000) 13.957 1.644 ( 8.290 0.000 0.000) 8.290 1.666 ( 14.272 0.000 0.000) 14.272 1.980 ( 13.004 0.000 0.000) 13.004 2.170 ( 1.589 0.000 0.000) 1.589 2.481 ( 9.882 0.000 0.000) 9.882 2.762 ( -5.368 0.000 0.000) 5.368 2.892 ( 5.710 0.000 0.000) 5.710 3.184 ( -1.281 0.000 0.000) 1.281 3.188 ( -4.458 0.000 0.000) 4.458 3.674 ( 6.861 0.000 0.000) 6.861 3.788 ( 5.657 0.000 0.000) 5.657 3.817 ( 11.014 0.000 0.000) 11.014 3.871 ( 10.307 0.000 0.000) 10.307 4.060 ( 23.123 0.000 0.000) 23.123 4.131 ( 30.713 0.000 0.000) 30.713 4.157 ( -3.055 0.000 0.000) 3.055 4.586 ( 6.083 0.000 0.000) 6.083 4.636 ( 13.088 0.000 0.000) 13.088 4.691 ( 28.090 0.000 0.000) 28.090 4.961 ( 24.080 0.000 0.000) 24.080 5.127 ( -17.048 0.000 0.000) 17.048 5.140 ( 8.339 0.000 0.000) 8.339 5.575 ( -2.401 0.000 0.000) 2.401 5.890 ( 20.884 0.000 0.000) 20.884 5.972 ( 2.094 0.000 0.000) 2.094 6.145 ( -13.608 0.000 0.000) 13.608 6.338 ( -1.783 0.000 0.000) 1.783 6.851 ( -21.600 0.000 0.000) 21.600 6.926 ( -10.051 0.000 0.000) 10.051 7.239 ( 4.452 0.000 0.000) 4.452 7.459 ( -4.072 0.000 0.000) 4.072 7.467 ( -8.050 0.000 0.000) 8.050 7.566 ( -26.275 0.000 0.000) 26.275 7.822 ( -8.523 0.000 0.000) 8.523 8.631 ( 22.722 0.000 0.000) 22.722 9.016 ( 29.727 0.000 0.000) 29.727 9.207 ( -1.931 0.000 0.000) 1.931 9.254 ( -6.029 0.000 0.000) 6.029 9.382 ( -11.804 0.000 0.000) 11.804 9.501 ( 11.251 0.000 0.000) 11.251 9.571 ( -3.980 0.000 0.000) 3.980 9.780 ( -9.040 0.000 0.000) 9.040 10.088 ( -12.825 0.000 0.000) 12.825 10.177 ( -13.463 0.000 0.000) 13.463 10.479 ( -10.011 0.000 0.000) 10.011 10.498 ( -8.596 0.000 0.000) 8.596 11.708 ( 11.067 0.000 0.000) 11.067 12.223 ( -8.821 0.000 0.000) 8.821 12.716 ( 1.219 0.000 0.000) 1.219 12.808 ( 0.494 0.000 0.000) 0.494 13.074 ( 7.197 0.000 0.000) 7.197 13.536 ( -4.446 0.000 0.000) 4.446 14.563 ( 9.433 0.000 0.000) 9.433 15.122 ( -8.920 0.000 0.000) 8.920 15.429 ( 2.690 0.000 0.000) 2.690 15.448 ( 3.470 0.000 0.000) 3.470 16.939 ( -6.343 0.000 0.000) 6.343 17.041 ( -15.265 0.000 0.000) 15.265 17.531 ( 38.009 0.000 0.000) 38.009 18.685 ( 16.921 0.000 0.000) 16.921 19.173 ( 15.857 0.000 0.000) 15.857 19.618 ( 24.530 0.000 0.000) 24.530 19.647 ( -24.764 0.000 0.000) 24.764 19.896 ( -20.621 0.000 0.000) 20.621 20.347 ( -23.544 0.000 0.000) 23.544 21.419 ( -36.893 0.000 0.000) 36.893 23.295 ( 46.224 0.000 0.000) 46.224 24.013 ( 26.288 0.000 0.000) 26.288 25.069 ( -15.281 0.000 0.000) 15.281 25.343 ( -15.422 0.000 0.000) 15.422 ======================= Grid point 4 (5/90) ======================= q-point: ( 0.44 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( 7.216 0.000 0.000) 7.216 1.249 ( 2.337 0.000 0.000) 2.337 1.788 ( 6.158 0.000 0.000) 6.158 1.836 ( 2.680 0.000 0.000) 2.680 2.137 ( 4.219 0.000 0.000) 4.219 2.177 ( -0.598 0.000 0.000) 0.598 2.722 ( 13.946 0.000 0.000) 13.946 2.728 ( 2.660 0.000 0.000) 2.660 2.844 ( -7.425 0.000 0.000) 7.425 2.993 ( -13.270 0.000 0.000) 13.270 3.326 ( 12.879 0.000 0.000) 12.879 3.578 ( -11.606 0.000 0.000) 11.606 3.920 ( 7.827 0.000 0.000) 7.827 4.017 ( 6.242 0.000 0.000) 6.242 4.028 ( 4.702 0.000 0.000) 4.702 4.065 ( -6.420 0.000 0.000) 6.420 4.478 ( 19.113 0.000 0.000) 19.113 4.562 ( 15.391 0.000 0.000) 15.391 4.730 ( -4.768 0.000 0.000) 4.768 4.830 ( -13.796 0.000 0.000) 13.796 4.840 ( 16.435 0.000 0.000) 16.435 5.120 ( -10.335 0.000 0.000) 10.335 5.292 ( 30.256 0.000 0.000) 30.256 5.589 ( 37.648 0.000 0.000) 37.648 5.674 ( 11.814 0.000 0.000) 11.814 5.801 ( -21.924 0.000 0.000) 21.924 5.903 ( -9.157 0.000 0.000) 9.157 6.300 ( -33.869 0.000 0.000) 33.869 6.374 ( 29.058 0.000 0.000) 29.058 6.391 ( 8.558 0.000 0.000) 8.558 6.647 ( -15.848 0.000 0.000) 15.848 6.985 ( -32.385 0.000 0.000) 32.385 7.335 ( 1.219 0.000 0.000) 1.219 7.381 ( -3.649 0.000 0.000) 3.649 7.449 ( 8.462 0.000 0.000) 8.462 7.643 ( -9.970 0.000 0.000) 9.970 9.033 ( 16.672 0.000 0.000) 16.672 9.169 ( -1.787 0.000 0.000) 1.787 9.201 ( -1.297 0.000 0.000) 1.297 9.206 ( -5.745 0.000 0.000) 5.745 9.518 ( 20.340 0.000 0.000) 20.340 9.551 ( 1.609 0.000 0.000) 1.609 9.628 ( -6.166 0.000 0.000) 6.166 9.691 ( 3.950 0.000 0.000) 3.950 9.884 ( -6.148 0.000 0.000) 6.148 9.927 ( -9.879 0.000 0.000) 9.879 10.279 ( -7.441 0.000 0.000) 7.441 10.315 ( -8.849 0.000 0.000) 8.849 11.896 ( 8.607 0.000 0.000) 8.607 12.057 ( -8.289 0.000 0.000) 8.289 12.752 ( 2.365 0.000 0.000) 2.365 12.795 ( -1.731 0.000 0.000) 1.731 13.238 ( 9.267 0.000 0.000) 9.267 13.412 ( -8.095 0.000 0.000) 8.095 14.751 ( 9.863 0.000 0.000) 9.863 14.941 ( -9.665 0.000 0.000) 9.665 15.472 ( 1.636 0.000 0.000) 1.636 15.485 ( 0.478 0.000 0.000) 0.478 16.842 ( -2.989 0.000 0.000) 2.989 16.851 ( -4.577 0.000 0.000) 4.577 18.301 ( 40.360 0.000 0.000) 40.360 19.052 ( -35.840 0.000 0.000) 35.840 19.063 ( 21.312 0.000 0.000) 21.312 19.484 ( -21.651 0.000 0.000) 21.651 19.511 ( 18.930 0.000 0.000) 18.930 19.905 ( -21.711 0.000 0.000) 21.711 20.131 ( 28.559 0.000 0.000) 28.559 20.731 ( -33.400 0.000 0.000) 33.400 24.112 ( 36.924 0.000 0.000) 36.924 24.506 ( 24.572 0.000 0.000) 24.572 24.700 ( -23.769 0.000 0.000) 23.769 24.967 ( -22.523 0.000 0.000) 22.523 ======================= Grid point 9 (6/90) ======================= q-point: ( 0.00 0.25 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.345 ( 0.000 14.163 0.000) 14.163 0.432 ( 0.000 19.393 0.000) 19.393 0.684 ( 0.000 -0.347 0.000) 0.347 0.965 ( 0.000 38.421 0.000) 38.421 1.088 ( 0.000 -9.125 0.000) 9.125 1.955 ( 0.000 0.781 0.000) 0.781 2.166 ( 0.000 -10.789 0.000) 10.789 2.200 ( 0.000 -15.660 0.000) 15.660 2.590 ( 0.000 5.420 0.000) 5.420 2.867 ( 0.000 -4.810 0.000) 4.810 2.986 ( 0.000 21.488 0.000) 21.488 3.068 ( 0.000 0.156 0.000) 0.156 3.129 ( 0.000 -1.610 0.000) 1.610 3.453 ( 0.000 7.311 0.000) 7.311 3.483 ( 0.000 -1.833 0.000) 1.833 3.843 ( 0.000 14.080 0.000) 14.080 3.999 ( 0.000 -14.114 0.000) 14.114 4.055 ( 0.000 11.493 0.000) 11.493 4.205 ( 0.000 -1.930 0.000) 1.930 4.506 ( 0.000 -10.089 0.000) 10.089 4.572 ( 0.000 -3.763 0.000) 3.763 4.820 ( 0.000 -18.856 0.000) 18.856 5.180 ( 0.000 12.309 0.000) 12.309 5.409 ( 0.000 3.441 0.000) 3.441 5.706 ( 0.000 -0.877 0.000) 0.877 5.879 ( 0.000 -9.171 0.000) 9.171 6.380 ( 0.000 7.036 0.000) 7.036 6.481 ( 0.000 2.329 0.000) 2.329 6.616 ( 0.000 -1.994 0.000) 1.994 6.697 ( 0.000 -4.887 0.000) 4.887 6.904 ( 0.000 11.869 0.000) 11.869 7.455 ( 0.000 1.341 0.000) 1.341 7.463 ( 0.000 -10.172 0.000) 10.172 7.562 ( 0.000 -2.665 0.000) 2.665 7.852 ( 0.000 0.633 0.000) 0.633 7.879 ( 0.000 -0.418 0.000) 0.418 8.192 ( 0.000 3.817 0.000) 3.817 8.291 ( 0.000 0.611 0.000) 0.611 9.406 ( 0.000 2.169 0.000) 2.169 9.544 ( 0.000 -2.601 0.000) 2.601 9.932 ( 0.000 0.149 0.000) 0.149 10.083 ( 0.000 -0.082 0.000) 0.082 10.087 ( 0.000 -5.435 0.000) 5.435 10.091 ( 0.000 -0.519 0.000) 0.519 10.628 ( 0.000 2.008 0.000) 2.008 10.659 ( 0.000 1.260 0.000) 1.260 10.700 ( 0.000 5.050 0.000) 5.050 10.968 ( 0.000 -5.205 0.000) 5.205 11.302 ( 0.000 2.706 0.000) 2.706 11.427 ( 0.000 -2.197 0.000) 2.197 12.580 ( 0.000 0.267 0.000) 0.267 12.663 ( 0.000 -3.709 0.000) 3.709 12.766 ( 0.000 2.514 0.000) 2.514 12.891 ( 0.000 -2.115 0.000) 2.115 13.879 ( 0.000 26.704 0.000) 26.704 15.193 ( 0.000 -21.987 0.000) 21.987 15.282 ( 0.000 8.082 0.000) 8.082 15.972 ( 0.000 -20.982 0.000) 20.982 17.428 ( 0.000 17.613 0.000) 17.613 18.143 ( 0.000 1.149 0.000) 1.149 18.215 ( 0.000 -1.516 0.000) 1.516 18.299 ( 0.000 -18.547 0.000) 18.547 18.564 ( 0.000 10.614 0.000) 10.614 18.799 ( 0.000 3.135 0.000) 3.135 19.815 ( 0.000 5.675 0.000) 5.675 20.185 ( 0.000 -8.860 0.000) 8.860 21.210 ( 0.000 10.647 0.000) 10.647 21.727 ( 0.000 -10.079 0.000) 10.079 22.584 ( 0.000 6.523 0.000) 6.523 22.836 ( 0.000 -3.535 0.000) 3.535 25.586 ( 0.000 0.165 0.000) 0.165 25.595 ( 0.000 -0.154 0.000) 0.154 ======================= Grid point 10 (7/90) ======================= q-point: ( 0.11 0.25 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 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| 0.583 ( 14.315 17.045 0.000) 22.259 0.711 ( 19.107 17.355 0.000) 25.812 0.998 ( 22.948 1.295 0.000) 22.985 1.165 ( 24.073 25.230 0.000) 34.872 1.194 ( 10.201 -7.714 0.000) 12.789 1.976 ( 2.266 -0.907 0.000) 2.441 2.144 ( -1.952 -11.294 0.000) 11.462 2.324 ( 11.440 -19.740 0.000) 22.815 2.767 ( 18.157 5.665 0.000) 19.020 3.006 ( 2.278 21.744 0.000) 21.863 3.038 ( 14.142 -3.638 0.000) 14.603 3.117 ( 5.728 2.696 0.000) 6.331 3.231 ( 11.483 -0.367 0.000) 11.489 3.445 ( -1.251 8.071 0.000) 8.167 3.524 ( 4.230 -1.721 0.000) 4.567 3.736 ( -6.541 12.602 0.000) 14.199 3.994 ( 1.162 -11.556 0.000) 11.615 4.173 ( 10.044 8.104 0.000) 12.906 4.235 ( -0.621 -6.005 0.000) 6.037 4.412 ( -8.153 0.333 0.000) 8.160 4.645 ( 7.157 -5.333 0.000) 8.926 4.711 ( -11.220 -4.301 0.000) 12.016 5.008 ( -19.599 20.025 0.000) 28.020 5.291 ( 1.810 1.518 0.000) 2.363 5.669 ( -4.282 -2.399 0.000) 4.908 5.760 ( -10.408 -5.987 0.000) 12.007 6.065 ( -7.013 23.997 0.000) 25.001 6.474 ( -1.526 2.647 0.000) 3.056 6.527 ( -5.504 2.835 0.000) 6.191 6.720 ( 2.990 -7.456 0.000) 8.033 7.038 ( 8.652 5.846 0.000) 10.442 7.481 ( 1.912 -8.267 0.000) 8.485 7.549 ( 0.349 3.070 0.000) 3.089 7.720 ( 3.814 -4.768 0.000) 6.106 7.870 ( 14.090 2.414 0.000) 14.295 7.963 ( 8.983 0.267 0.000) 8.987 8.127 ( -6.776 3.073 0.000) 7.440 8.225 ( -6.797 0.688 0.000) 6.832 9.359 ( -3.814 1.312 0.000) 4.034 9.465 ( -7.289 -2.269 0.000) 7.634 9.685 ( -20.086 13.870 0.000) 24.409 9.852 ( -7.969 0.672 0.000) 7.997 9.938 ( -13.308 -2.151 0.000) 13.480 10.026 ( -6.138 -5.829 0.000) 8.464 10.585 ( -4.104 3.002 0.000) 5.084 10.628 ( -11.267 5.881 0.000) 12.710 10.658 ( -0.884 -0.024 0.000) 0.884 10.692 ( -3.870 1.131 0.000) 4.032 11.311 ( 15.406 12.475 0.000) 19.824 12.360 ( 23.060 -37.731 0.000) 44.220 12.540 ( -3.957 1.272 0.000) 4.156 12.660 ( -0.420 -3.844 0.000) 3.867 12.889 ( 9.655 1.159 0.000) 9.725 13.121 ( 29.873 -15.636 0.000) 33.717 13.873 ( -0.603 25.448 0.000) 25.455 15.113 ( -5.508 -19.025 0.000) 19.806 15.388 ( 7.850 6.757 0.000) 10.358 16.103 ( 12.739 -22.390 0.000) 25.760 17.039 ( -61.521 52.262 0.000) 80.722 17.411 ( -0.979 18.239 0.000) 18.265 17.884 ( -28.200 -5.841 0.000) 28.798 18.232 ( -2.949 -14.231 0.000) 14.533 18.732 ( 13.178 6.412 0.000) 14.655 18.904 ( 10.746 2.795 0.000) 11.103 20.121 ( 5.802 -9.084 0.000) 10.778 20.180 ( -2.250 -6.224 0.000) 6.618 21.477 ( 19.078 21.598 0.000) 28.817 21.925 ( -1.293 8.356 0.000) 8.456 22.565 ( 9.123 -14.537 0.000) 17.162 22.635 ( -7.432 -10.713 0.000) 13.039 25.505 ( -6.062 1.855 0.000) 6.339 25.605 ( -1.430 -1.837 0.000) 2.328 ======================= Grid point 11 (8/90) ======================= q-point: ( 0.22 0.25 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 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| 0.920 ( 18.579 14.388 0.000) 23.499 1.017 ( 14.053 23.243 0.000) 27.162 1.409 ( 19.019 3.429 0.000) 19.326 1.442 ( 14.188 -3.270 0.000) 14.560 1.685 ( 23.376 8.791 0.000) 24.974 2.041 ( 3.674 -4.330 0.000) 5.679 2.112 ( -0.186 -13.326 0.000) 13.327 2.549 ( 8.756 -24.100 0.000) 25.641 3.064 ( 3.532 8.404 0.000) 9.116 3.086 ( 6.197 21.780 0.000) 22.645 3.352 ( 32.310 3.893 0.000) 32.544 3.391 ( -4.328 10.083 0.000) 10.973 3.475 ( 21.618 -2.585 0.000) 21.772 3.510 ( 13.133 -4.316 0.000) 13.824 3.642 ( 7.636 -3.461 0.000) 8.384 3.742 ( 9.433 7.315 0.000) 11.937 4.023 ( 1.018 -13.236 0.000) 13.275 4.205 ( -7.650 10.428 0.000) 12.933 4.231 ( 5.457 -2.195 0.000) 5.882 4.425 ( 15.375 7.997 0.000) 17.330 4.566 ( -5.754 -3.824 0.000) 6.909 4.823 ( 10.248 -7.861 0.000) 12.916 4.852 ( 4.824 16.087 0.000) 16.795 5.438 ( 11.766 -8.360 0.000) 14.434 5.469 ( -13.947 -0.213 0.000) 13.948 5.614 ( -5.711 -4.000 0.000) 6.973 6.102 ( 6.212 18.600 0.000) 19.610 6.382 ( -6.620 3.273 0.000) 7.385 6.452 ( -4.122 2.714 0.000) 4.936 6.815 ( 5.936 -9.756 0.000) 11.420 7.115 ( -2.363 4.583 0.000) 5.157 7.431 ( -9.431 7.128 0.000) 11.822 7.518 ( 0.643 -4.347 0.000) 4.394 7.633 ( -8.763 -2.041 0.000) 8.998 7.923 ( -14.551 0.990 0.000) 14.585 8.037 ( -11.913 0.692 0.000) 11.933 8.242 ( 20.792 2.794 0.000) 20.979 8.373 ( 28.823 -2.972 0.000) 28.976 9.299 ( -4.667 -0.093 0.000) 4.668 9.336 ( -0.522 -1.651 0.000) 1.731 9.436 ( -8.327 6.224 0.000) 10.396 9.644 ( -12.680 1.470 0.000) 12.764 9.676 ( -11.949 -3.812 0.000) 12.542 9.862 ( -10.213 -7.218 0.000) 12.506 10.409 ( -11.844 5.919 0.000) 13.240 10.465 ( -8.477 4.352 0.000) 9.529 10.602 ( -5.280 -1.640 0.000) 5.529 10.604 ( -6.195 -2.215 0.000) 6.579 11.621 ( 15.011 14.571 0.000) 20.920 12.437 ( -6.299 3.835 0.000) 7.374 12.537 ( 3.873 -19.781 0.000) 20.156 12.648 ( -0.739 -4.621 0.000) 4.680 13.075 ( 9.997 7.542 0.000) 12.523 13.731 ( 26.798 -30.381 0.000) 40.511 13.849 ( -2.154 22.935 0.000) 23.036 14.995 ( -6.777 -20.230 0.000) 21.335 15.546 ( 7.767 11.875 0.000) 14.190 16.223 ( -26.162 44.828 0.000) 51.903 16.400 ( 15.244 -26.436 0.000) 30.516 17.321 ( -26.938 -10.811 0.000) 29.026 17.448 ( 7.135 20.505 0.000) 21.711 18.259 ( 6.496 -14.511 0.000) 15.899 19.009 ( 15.290 8.048 0.000) 17.278 19.198 ( 18.731 0.696 0.000) 18.744 19.998 ( -13.048 -1.620 0.000) 13.149 20.073 ( -11.301 -8.322 0.000) 14.034 21.212 ( -29.982 27.069 0.000) 40.394 22.023 ( -33.034 -8.928 0.000) 34.219 22.486 ( 43.822 9.596 0.000) 44.860 23.236 ( 34.916 -20.157 0.000) 40.317 25.351 ( -9.946 3.149 0.000) 10.433 25.523 ( -7.484 -3.131 0.000) 8.112 ======================= Grid point 12 (9/90) ======================= q-point: ( 0.33 0.25 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 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| 1.241 ( 13.254 13.051 0.000) 18.601 1.255 ( 10.089 19.806 0.000) 22.228 1.701 ( 11.712 3.899 0.000) 12.344 1.716 ( 12.398 1.666 0.000) 12.510 2.010 ( 10.302 4.037 0.000) 11.065 2.062 ( 0.106 -10.233 0.000) 10.234 2.204 ( 8.080 -14.428 0.000) 16.536 2.605 ( -2.008 -16.950 0.000) 17.068 3.116 ( 1.377 4.894 0.000) 5.083 3.228 ( 4.148 21.415 0.000) 21.813 3.304 ( -0.213 10.354 0.000) 10.356 3.648 ( 4.158 -10.293 0.000) 11.101 3.747 ( 4.460 3.416 0.000) 5.618 3.795 ( 7.032 -7.153 0.000) 10.031 3.884 ( 13.084 -0.744 0.000) 13.105 4.022 ( -0.857 -11.872 0.000) 11.903 4.130 ( 25.901 6.102 0.000) 26.610 4.255 ( 17.335 9.306 0.000) 19.675 4.513 ( 10.389 -5.459 0.000) 11.736 4.605 ( 22.984 -6.597 0.000) 23.912 4.716 ( 12.318 6.263 0.000) 13.819 4.991 ( 4.610 -6.978 0.000) 8.364 5.120 ( 21.943 13.555 0.000) 25.792 5.220 ( -10.180 3.568 0.000) 10.787 5.490 ( -6.807 -6.656 0.000) 9.520 5.733 ( 18.283 -10.767 0.000) 21.218 6.217 ( 4.357 17.261 0.000) 17.802 6.240 ( -8.023 5.565 0.000) 9.764 6.351 ( -4.977 0.381 0.000) 4.992 6.868 ( -3.879 -7.297 0.000) 8.264 6.911 ( -18.871 7.665 0.000) 20.368 7.291 ( -1.471 4.957 0.000) 5.171 7.423 ( -15.302 -7.842 0.000) 17.194 7.457 ( -7.672 -1.180 0.000) 7.762 7.593 ( -14.410 5.909 0.000) 15.574 7.810 ( -10.714 -1.618 0.000) 10.836 8.672 ( 22.299 3.593 0.000) 22.587 8.918 ( 24.551 -6.873 0.000) 25.495 9.236 ( -0.425 2.839 0.000) 2.871 9.316 ( -2.748 4.116 0.000) 4.949 9.395 ( -11.448 1.182 0.000) 11.508 9.452 ( 9.724 -3.821 0.000) 10.447 9.518 ( -3.957 -4.393 0.000) 5.912 9.659 ( -9.883 -8.769 0.000) 13.213 10.165 ( -12.827 6.435 0.000) 14.350 10.257 ( -12.649 5.515 0.000) 13.798 10.446 ( -10.600 -2.816 0.000) 10.968 10.449 ( -9.623 -4.364 0.000) 10.567 11.870 ( 10.588 13.955 0.000) 17.517 12.307 ( -6.869 6.934 0.000) 9.760 12.598 ( 2.625 -14.871 0.000) 15.101 12.637 ( -0.210 -6.329 0.000) 6.333 13.274 ( 10.396 14.270 0.000) 17.656 13.780 ( -5.120 20.972 0.000) 21.588 14.152 ( 17.556 -25.841 0.000) 31.240 14.848 ( -8.439 -20.296 0.000) 21.980 15.668 ( 4.627 15.530 0.000) 16.205 15.895 ( -9.919 30.180 0.000) 31.768 16.594 ( 4.144 -24.428 0.000) 24.777 16.894 ( -16.565 -13.295 0.000) 21.241 17.773 ( 26.541 16.456 0.000) 31.229 18.491 ( 17.023 -14.537 0.000) 22.386 19.328 ( 17.616 10.421 0.000) 20.467 19.605 ( 22.917 -1.681 0.000) 22.978 19.647 ( -23.502 0.213 0.000) 23.503 19.766 ( -19.342 -6.871 0.000) 20.526 20.630 ( -28.674 19.814 0.000) 34.854 21.324 ( -36.440 -8.823 0.000) 37.493 23.375 ( 44.584 7.378 0.000) 45.191 23.877 ( 31.027 -11.433 0.000) 33.066 25.109 ( -15.354 3.512 0.000) 15.751 25.302 ( -15.457 -3.568 0.000) 15.863 ======================= Grid point 13 (10/90) ======================= q-point: ( 0.44 0.25 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 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| 1.397 ( 4.248 16.107 0.000) 16.658 1.406 ( 3.693 13.535 0.000) 14.029 1.870 ( 5.026 7.004 0.000) 8.621 1.879 ( 4.148 1.923 0.000) 4.572 2.082 ( 1.918 -9.215 0.000) 9.412 2.108 ( 0.628 -1.381 0.000) 1.517 2.376 ( 8.890 -17.612 0.000) 19.729 2.523 ( -5.944 -15.938 0.000) 17.010 3.111 ( -0.347 10.729 0.000) 10.734 3.153 ( -4.686 15.824 0.000) 16.503 3.477 ( 10.932 12.318 0.000) 16.469 3.663 ( -6.800 2.946 0.000) 7.411 3.767 ( 4.283 -7.836 0.000) 8.930 3.849 ( -2.177 -12.757 0.000) 12.941 4.012 ( 3.120 -3.125 0.000) 4.416 4.024 ( 1.132 -6.415 0.000) 6.514 4.553 ( 18.937 5.941 0.000) 19.847 4.642 ( 15.976 7.039 0.000) 17.457 4.794 ( 17.626 -3.894 0.000) 18.051 4.806 ( -4.675 6.073 0.000) 7.664 4.896 ( -11.109 6.026 0.000) 12.639 5.079 ( -9.906 -3.598 0.000) 10.539 5.114 ( 22.644 -12.762 0.000) 25.993 5.380 ( -5.740 -14.427 0.000) 15.526 5.684 ( 34.080 8.920 0.000) 35.228 6.052 ( 7.176 2.886 0.000) 7.735 6.099 ( -4.544 12.357 0.000) 13.166 6.268 ( -13.643 -1.787 0.000) 13.759 6.326 ( 13.382 3.787 0.000) 13.907 6.474 ( -14.074 8.173 0.000) 16.275 6.685 ( -9.419 -0.163 0.000) 9.421 6.931 ( -28.794 -5.601 0.000) 29.334 7.347 ( 2.789 1.214 0.000) 3.042 7.430 ( 0.009 1.531 0.000) 1.531 7.430 ( 1.155 1.021 0.000) 1.541 7.613 ( -10.032 -2.683 0.000) 10.385 9.049 ( 14.685 1.358 0.000) 14.748 9.137 ( 2.438 -2.464 0.000) 3.466 9.192 ( -5.831 0.725 0.000) 5.876 9.250 ( -4.217 2.009 0.000) 4.671 9.496 ( 13.833 -1.627 0.000) 13.928 9.513 ( 4.699 -2.458 0.000) 5.303 9.531 ( -1.937 -5.399 0.000) 5.736 9.635 ( 4.905 -4.871 0.000) 6.913 9.957 ( -6.269 6.017 0.000) 8.689 10.011 ( -10.642 5.704 0.000) 12.074 10.233 ( -8.408 -3.857 0.000) 9.251 10.255 ( -8.868 -5.320 0.000) 10.341 12.041 ( 7.506 12.226 0.000) 14.346 12.176 ( -6.675 9.861 0.000) 11.908 12.634 ( 0.930 -11.828 0.000) 11.865 12.639 ( 0.157 -8.869 0.000) 8.870 13.473 ( 9.899 18.264 0.000) 20.774 13.650 ( -8.159 19.836 0.000) 21.448 14.442 ( 12.936 -22.121 0.000) 25.626 14.666 ( -10.353 -20.537 0.000) 22.999 15.730 ( 2.202 17.835 0.000) 17.970 15.777 ( -3.360 21.631 0.000) 21.891 16.621 ( 0.667 -18.435 0.000) 18.447 16.677 ( -6.249 -15.175 0.000) 16.411 18.401 ( 35.832 8.470 0.000) 36.819 18.890 ( 23.126 -12.038 0.000) 26.072 19.088 ( -33.405 3.304 0.000) 33.568 19.348 ( -23.251 -8.492 0.000) 24.753 19.694 ( 20.222 12.420 0.000) 23.732 20.086 ( 26.863 -4.329 0.000) 27.210 20.120 ( -23.949 15.030 0.000) 28.275 20.655 ( -32.013 -7.035 0.000) 32.776 24.161 ( 35.625 4.449 0.000) 35.902 24.439 ( 26.986 -5.790 0.000) 27.600 24.737 ( -23.768 3.282 0.000) 23.993 24.926 ( -22.902 -3.653 0.000) 23.192 ======================= Grid point 18 (11/90) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.583 ( 0.000 -7.916 0.000) 7.916 0.583 ( 0.000 7.916 0.000) 7.916 0.815 ( 0.000 -15.824 0.000) 15.824 0.815 ( 0.000 15.824 0.000) 15.824 1.718 ( 0.000 -29.333 0.000) 29.333 1.718 ( 0.000 29.333 0.000) 29.333 2.006 ( 0.000 -4.470 0.000) 4.470 2.006 ( 0.000 4.470 0.000) 4.470 2.734 ( 0.000 -7.145 0.000) 7.145 2.734 ( 0.000 7.145 0.000) 7.145 3.088 ( 0.000 -1.757 0.000) 1.757 3.088 ( 0.000 1.757 0.000) 1.757 3.367 ( 0.000 -11.181 0.000) 11.181 3.367 ( 0.000 11.181 0.000) 11.181 3.666 ( 0.000 -13.935 0.000) 13.935 3.666 ( 0.000 13.935 0.000) 13.935 4.125 ( 0.000 -7.959 0.000) 7.959 4.125 ( 0.000 7.959 0.000) 7.959 4.368 ( 0.000 -14.687 0.000) 14.687 4.368 ( 0.000 14.687 0.000) 14.687 4.466 ( 0.000 -9.583 0.000) 9.583 4.466 ( 0.000 9.583 0.000) 9.583 5.381 ( 0.000 -5.748 0.000) 5.748 5.381 ( 0.000 5.748 0.000) 5.748 5.724 ( 0.000 -3.766 0.000) 3.766 5.724 ( 0.000 3.766 0.000) 3.766 6.553 ( 0.000 -6.087 0.000) 6.087 6.553 ( 0.000 5.648 0.000) 5.648 6.553 ( 0.000 -5.648 0.000) 5.648 6.553 ( 0.000 6.087 0.000) 6.087 7.193 ( 0.000 -14.003 0.000) 14.003 7.193 ( 0.000 14.003 0.000) 14.003 7.500 ( 0.000 -2.722 0.000) 2.722 7.500 ( 0.000 2.722 0.000) 2.722 7.867 ( 0.000 -0.667 0.000) 0.667 7.867 ( 0.000 0.667 0.000) 0.667 8.271 ( 0.000 -2.696 0.000) 2.696 8.271 ( 0.000 2.696 0.000) 2.696 9.472 ( 0.000 -3.676 0.000) 3.676 9.472 ( 0.000 3.676 0.000) 3.676 9.975 ( 0.000 -4.071 0.000) 4.071 9.975 ( 0.000 4.071 0.000) 4.071 10.083 ( 0.000 -0.181 0.000) 0.181 10.083 ( 0.000 0.181 0.000) 0.181 10.665 ( 0.000 -0.903 0.000) 0.903 10.665 ( 0.000 0.903 0.000) 0.903 10.833 ( 0.000 -6.796 0.000) 6.796 10.833 ( 0.000 6.796 0.000) 6.796 11.367 ( 0.000 -3.110 0.000) 3.110 11.367 ( 0.000 3.110 0.000) 3.110 12.601 ( 0.000 -1.883 0.000) 1.883 12.601 ( 0.000 1.883 0.000) 1.883 12.831 ( 0.000 -3.236 0.000) 3.236 12.831 ( 0.000 3.236 0.000) 3.236 14.565 ( 0.000 -33.965 0.000) 33.965 14.565 ( 0.000 33.965 0.000) 33.965 15.545 ( 0.000 -16.593 0.000) 16.593 15.545 ( 0.000 16.593 0.000) 16.593 17.863 ( 0.000 -21.389 0.000) 21.389 17.863 ( 0.000 21.389 0.000) 21.389 18.177 ( 0.000 -1.855 0.000) 1.855 18.177 ( 0.000 1.855 0.000) 1.855 18.763 ( 0.000 -6.262 0.000) 6.262 18.763 ( 0.000 6.262 0.000) 6.262 19.980 ( 0.000 -9.267 0.000) 9.267 19.980 ( 0.000 9.267 0.000) 9.267 21.472 ( 0.000 -12.841 0.000) 12.841 21.472 ( 0.000 12.841 0.000) 12.841 22.729 ( 0.000 -6.279 0.000) 6.279 22.729 ( 0.000 6.279 0.000) 6.279 25.590 ( 0.000 -0.226 0.000) 0.226 25.590 ( 0.000 0.226 0.000) 0.226 ======================= Grid point 20 (12/90) ======================= q-point: ( 0.11 -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 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| 0.939 ( 26.071 -6.189 0.000) 26.795 0.939 ( 26.071 6.189 0.000) 26.795 0.943 ( 12.529 -15.145 0.000) 19.656 0.943 ( 12.529 15.145 0.000) 19.656 1.794 ( 8.395 -28.816 0.000) 30.014 1.794 ( 8.395 28.816 0.000) 30.014 1.991 ( -1.249 -3.229 0.000) 3.462 1.991 ( -1.249 3.229 0.000) 3.462 2.918 ( 18.090 -7.019 0.000) 19.404 2.918 ( 18.090 7.019 0.000) 19.404 3.186 ( 9.326 -3.326 0.000) 9.901 3.186 ( 9.326 3.326 0.000) 9.901 3.397 ( 3.057 -11.768 0.000) 12.159 3.397 ( 3.057 11.768 0.000) 12.159 3.680 ( 0.877 -14.042 0.000) 14.069 3.680 ( 0.877 14.042 0.000) 14.069 4.005 ( -8.631 -12.380 0.000) 15.091 4.005 ( -8.631 12.380 0.000) 15.091 4.435 ( 6.902 -13.321 0.000) 15.003 4.435 ( 6.902 13.321 0.000) 15.003 4.511 ( 1.479 -8.845 0.000) 8.967 4.511 ( 1.479 8.845 0.000) 8.967 5.263 ( -9.180 -5.449 0.000) 10.675 5.263 ( -9.180 5.449 0.000) 10.675 5.658 ( -6.169 -2.227 0.000) 6.559 5.658 ( -6.169 2.227 0.000) 6.559 6.482 ( -2.661 -14.871 0.000) 15.107 6.482 ( -2.661 14.871 0.000) 15.107 6.532 ( -2.465 -1.996 0.000) 3.172 6.532 ( -2.465 1.996 0.000) 3.172 7.247 ( 4.803 -12.103 0.000) 13.021 7.247 ( 4.803 12.103 0.000) 13.021 7.626 ( 4.783 -4.042 0.000) 6.262 7.626 ( 4.783 4.042 0.000) 6.262 7.928 ( 10.657 -2.666 0.000) 10.986 7.928 ( 10.657 2.666 0.000) 10.986 8.202 ( -7.106 -2.876 0.000) 7.666 8.202 ( -7.106 2.876 0.000) 7.666 9.405 ( -5.856 -2.840 0.000) 6.509 9.405 ( -5.856 2.840 0.000) 6.509 9.867 ( -16.963 -4.852 0.000) 17.644 9.867 ( -16.963 4.852 0.000) 17.644 9.905 ( -7.046 -4.501 0.000) 8.361 9.905 ( -7.046 4.501 0.000) 8.361 10.641 ( -2.660 -1.774 0.000) 3.197 10.641 ( -2.660 1.774 0.000) 3.197 10.698 ( -8.262 -1.138 0.000) 8.340 10.698 ( -8.262 1.138 0.000) 8.340 11.702 ( 22.338 -23.567 0.000) 32.471 11.702 ( 22.338 23.567 0.000) 32.471 12.584 ( -1.709 -2.917 0.000) 3.381 12.584 ( -1.709 2.917 0.000) 3.381 12.960 ( 13.037 -4.690 0.000) 13.855 12.960 ( 13.037 4.690 0.000) 13.855 14.529 ( -3.374 -32.302 0.000) 32.478 14.529 ( -3.374 32.302 0.000) 32.478 15.653 ( 10.182 -17.371 0.000) 20.135 15.653 ( 10.182 17.371 0.000) 20.135 17.670 ( -39.687 -15.581 0.000) 42.636 17.670 ( -39.687 15.581 0.000) 42.636 17.841 ( -1.059 -20.439 0.000) 20.467 17.841 ( -1.059 20.439 0.000) 20.467 18.880 ( 11.173 -5.014 0.000) 12.246 18.880 ( 11.173 5.014 0.000) 12.246 20.075 ( 2.191 -3.010 0.000) 3.723 20.075 ( 2.191 3.010 0.000) 3.723 21.851 ( 31.409 -14.091 0.000) 34.426 21.851 ( 31.409 14.091 0.000) 34.426 22.472 ( -20.690 -6.328 0.000) 21.636 22.472 ( -20.690 6.328 0.000) 21.636 25.555 ( -3.742 -2.610 0.000) 4.563 25.555 ( -3.742 2.610 0.000) 4.563 ======================= Grid point 22 (13/90) ======================= q-point: ( 0.22 -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 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| 1.253 ( 17.904 -14.246 0.000) 22.880 1.253 ( 17.904 14.246 0.000) 22.880 1.368 ( 17.063 -7.951 0.000) 18.825 1.368 ( 17.063 7.951 0.000) 18.825 1.971 ( -0.494 -0.474 0.000) 0.684 1.971 ( -0.494 0.474 0.000) 0.684 2.027 ( 13.469 -22.726 0.000) 26.418 2.027 ( 13.469 22.726 0.000) 26.418 3.288 ( 10.420 -10.844 0.000) 15.039 3.288 ( 10.420 10.844 0.000) 15.039 3.455 ( 22.451 -3.737 0.000) 22.760 3.455 ( 22.451 3.737 0.000) 22.760 3.484 ( 5.617 -12.646 0.000) 13.837 3.484 ( 5.617 12.646 0.000) 13.837 3.680 ( -0.956 -16.651 0.000) 16.678 3.680 ( -0.956 16.651 0.000) 16.678 3.944 ( 6.310 -12.016 0.000) 13.571 3.944 ( 6.310 12.016 0.000) 13.571 4.460 ( -4.956 -6.483 0.000) 8.160 4.460 ( -4.956 6.483 0.000) 8.160 4.624 ( 11.850 -9.910 0.000) 15.447 4.624 ( 11.850 9.910 0.000) 15.447 5.203 ( 5.370 -13.956 0.000) 14.954 5.203 ( 5.370 13.956 0.000) 14.954 5.512 ( -8.446 -4.225 0.000) 9.444 5.512 ( -8.446 4.225 0.000) 9.444 6.450 ( -5.837 -2.419 0.000) 6.319 6.450 ( -5.837 2.419 0.000) 6.319 6.515 ( 4.914 -17.749 0.000) 18.416 6.515 ( 4.914 17.749 0.000) 18.416 7.317 ( 0.272 -12.114 0.000) 12.117 7.317 ( 0.272 12.114 0.000) 12.117 7.564 ( -8.094 -4.690 0.000) 9.355 7.564 ( -8.094 4.690 0.000) 9.355 7.999 ( -13.393 -3.882 0.000) 13.944 7.999 ( -13.393 3.882 0.000) 13.944 8.305 ( 24.294 -3.066 0.000) 24.486 8.305 ( 24.294 3.066 0.000) 24.486 9.306 ( -2.710 -0.873 0.000) 2.848 9.306 ( -2.710 0.873 0.000) 2.848 9.571 ( -12.313 -5.817 0.000) 13.618 9.571 ( -12.313 5.817 0.000) 13.618 9.716 ( -11.846 -5.459 0.000) 13.043 9.716 ( -11.846 5.459 0.000) 13.043 10.531 ( -9.606 -4.705 0.000) 10.696 10.531 ( -9.606 4.705 0.000) 10.696 10.550 ( -6.959 -3.258 0.000) 7.684 10.550 ( -6.959 3.258 0.000) 7.684 12.045 ( 12.925 -23.395 0.000) 26.728 12.045 ( 12.925 23.395 0.000) 26.728 12.538 ( -2.943 -5.215 0.000) 5.988 12.538 ( -2.943 5.215 0.000) 5.988 13.291 ( 19.130 -13.449 0.000) 23.385 13.291 ( 19.130 13.449 0.000) 23.385 14.445 ( -5.189 -29.456 0.000) 29.910 14.445 ( -5.189 29.456 0.000) 29.910 15.884 ( 12.058 -20.229 0.000) 23.550 15.884 ( 12.058 20.229 0.000) 23.550 16.955 ( -31.097 -24.251 0.000) 39.435 16.955 ( -31.097 24.251 0.000) 39.435 17.882 ( 6.775 -19.614 0.000) 20.751 17.882 ( 6.775 19.614 0.000) 20.751 19.159 ( 16.932 -4.766 0.000) 17.590 19.159 ( 16.932 4.766 0.000) 17.590 19.982 ( -11.031 -0.963 0.000) 11.073 19.982 ( -11.031 0.963 0.000) 11.073 21.726 ( -34.057 -19.180 0.000) 39.086 21.726 ( -34.057 19.180 0.000) 39.086 22.793 ( 42.251 -18.687 0.000) 46.199 22.793 ( 42.251 18.687 0.000) 46.199 25.437 ( -8.722 -4.440 0.000) 9.787 25.437 ( -8.722 4.440 0.000) 9.787 ======================= Grid point 24 (14/90) ======================= q-point: ( 0.33 -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 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| 1.581 ( 14.511 -16.206 0.000) 21.753 1.581 ( 14.511 16.206 0.000) 21.753 1.622 ( 9.727 -11.419 0.000) 15.000 1.622 ( 9.727 11.419 0.000) 15.000 1.983 ( 2.117 -6.815 0.000) 7.136 1.983 ( 2.117 6.815 0.000) 7.136 2.216 ( 4.533 -15.539 0.000) 16.186 2.216 ( 4.533 15.539 0.000) 16.186 3.361 ( 1.560 -14.649 0.000) 14.732 3.361 ( 1.560 14.649 0.000) 14.732 3.560 ( -0.491 -10.854 0.000) 10.865 3.560 ( -0.491 10.854 0.000) 10.865 3.688 ( 4.330 -17.135 0.000) 17.674 3.688 ( 4.330 17.135 0.000) 17.674 3.825 ( 10.092 -3.651 0.000) 10.732 3.825 ( 10.092 3.651 0.000) 10.732 4.288 ( 23.931 -7.279 0.000) 25.013 4.288 ( 23.931 7.279 0.000) 25.013 4.481 ( 11.489 -4.486 0.000) 12.334 4.481 ( 11.489 4.486 0.000) 12.334 4.853 ( 10.372 -6.118 0.000) 12.042 4.853 ( 10.372 6.118 0.000) 12.042 5.332 ( -10.305 -7.061 0.000) 12.492 5.332 ( -10.305 7.061 0.000) 12.492 5.450 ( 19.072 -15.254 0.000) 24.422 5.450 ( 19.072 15.254 0.000) 24.422 6.325 ( -6.230 -2.654 0.000) 6.772 6.325 ( -6.230 2.654 0.000) 6.772 6.602 ( 1.990 -16.602 0.000) 16.721 6.602 ( 1.990 16.602 0.000) 16.721 7.171 ( -16.794 -14.048 0.000) 21.894 7.171 ( -16.794 14.048 0.000) 21.894 7.402 ( -6.368 -4.211 0.000) 7.634 7.402 ( -6.368 4.211 0.000) 7.634 7.733 ( -12.289 -5.600 0.000) 13.505 7.733 ( -12.289 5.600 0.000) 13.505 8.776 ( 22.315 -5.947 0.000) 23.093 8.776 ( 22.315 5.947 0.000) 23.093 9.328 ( 3.331 -5.349 0.000) 6.301 9.328 ( 3.331 5.349 0.000) 6.301 9.412 ( -3.278 -4.954 0.000) 5.940 9.412 ( -3.278 4.954 0.000) 5.940 9.487 ( -9.379 -6.083 0.000) 11.179 9.487 ( -9.379 6.083 0.000) 11.179 10.321 ( -11.742 -7.209 0.000) 13.778 10.321 ( -11.742 7.209 0.000) 13.778 10.367 ( -11.721 -4.483 0.000) 12.549 10.367 ( -11.721 4.483 0.000) 12.549 12.234 ( 7.308 -18.276 0.000) 19.683 12.234 ( 7.308 18.276 0.000) 19.683 12.477 ( -3.175 -8.185 0.000) 8.780 12.477 ( -3.175 8.185 0.000) 8.780 13.646 ( 16.855 -20.542 0.000) 26.572 13.646 ( 16.855 20.542 0.000) 26.572 14.326 ( -7.274 -27.120 0.000) 28.078 14.326 ( -7.274 27.120 0.000) 28.078 16.072 ( 6.830 -22.256 0.000) 23.280 16.072 ( 6.830 22.256 0.000) 23.280 16.490 ( -17.188 -23.923 0.000) 29.457 16.490 ( -17.188 23.923 0.000) 29.457 18.141 ( 20.032 -17.276 0.000) 26.452 18.141 ( 20.032 17.276 0.000) 26.452 19.520 ( 20.071 -6.616 0.000) 21.133 19.520 ( 20.071 6.616 0.000) 21.133 19.670 ( -20.805 -2.308 0.000) 20.933 19.670 ( -20.805 2.308 0.000) 20.933 21.044 ( -34.185 -17.043 0.000) 38.198 21.044 ( -34.185 17.043 0.000) 38.198 23.599 ( 39.246 -12.848 0.000) 41.295 23.599 ( 39.246 12.848 0.000) 41.295 25.205 ( -15.460 -5.003 0.000) 16.249 25.205 ( -15.460 5.003 0.000) 16.249 ======================= Grid point 26 (15/90) ======================= q-point: ( 0.44 -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 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| 1.754 ( 3.897 -14.048 0.000) 14.579 1.754 ( 3.897 14.048 0.000) 14.579 1.763 ( 3.741 -17.861 0.000) 18.249 1.763 ( 3.741 17.861 0.000) 18.249 2.074 ( 7.110 -10.907 0.000) 13.020 2.074 ( 7.110 10.907 0.000) 13.020 2.204 ( -4.820 -11.041 0.000) 12.047 2.204 ( -4.820 11.041 0.000) 12.047 3.410 ( 3.643 -15.809 0.000) 16.223 3.410 ( 3.643 15.809 0.000) 16.223 3.494 ( -4.628 -15.490 0.000) 16.167 3.494 ( -4.628 15.490 0.000) 16.167 3.805 ( 5.798 -12.594 0.000) 13.865 3.805 ( 5.798 12.594 0.000) 13.865 3.882 ( -1.690 -8.152 0.000) 8.325 3.882 ( -1.690 8.152 0.000) 8.325 4.687 ( 18.508 -5.893 0.000) 19.423 4.687 ( 18.508 5.893 0.000) 19.423 4.845 ( 18.096 -11.483 0.000) 21.431 4.845 ( 18.096 11.483 0.000) 21.431 4.944 ( -3.995 -5.746 0.000) 6.998 4.944 ( -3.995 5.746 0.000) 6.998 5.109 ( -12.035 -10.419 0.000) 15.918 5.109 ( -12.035 10.419 0.000) 15.918 5.910 ( 26.171 -10.722 0.000) 28.282 5.910 ( 26.171 10.722 0.000) 28.282 6.233 ( -4.895 -2.229 0.000) 5.379 6.233 ( -4.895 2.229 0.000) 5.379 6.561 ( -3.663 -11.131 0.000) 11.718 6.561 ( -3.663 11.131 0.000) 11.718 6.730 ( -23.458 -12.706 0.000) 26.678 6.730 ( -23.458 12.706 0.000) 26.678 7.387 ( 4.735 -2.235 0.000) 5.236 7.387 ( 4.735 2.235 0.000) 5.236 7.532 ( -9.096 -4.687 0.000) 10.232 7.532 ( -9.096 4.687 0.000) 10.232 9.086 ( 9.237 -2.065 0.000) 9.465 9.086 ( 9.237 2.065 0.000) 9.465 9.237 ( -8.241 -2.884 0.000) 8.731 9.237 ( -8.241 2.884 0.000) 8.731 9.478 ( 8.398 -0.451 0.000) 8.410 9.478 ( 8.398 0.451 0.000) 8.410 9.520 ( 5.633 -4.363 0.000) 7.125 9.520 ( 5.633 4.363 0.000) 7.125 10.109 ( -8.027 -7.568 0.000) 11.031 10.109 ( -8.027 7.568 0.000) 11.031 10.131 ( -10.216 -5.329 0.000) 11.523 10.131 ( -10.216 5.329 0.000) 11.523 12.345 ( 4.400 -14.633 0.000) 15.280 12.345 ( 4.400 14.633 0.000) 15.280 12.416 ( -3.198 -11.423 0.000) 11.862 12.416 ( -3.198 11.423 0.000) 11.862 13.936 ( 13.112 -23.776 0.000) 27.152 13.936 ( 13.112 23.776 0.000) 27.152 14.159 ( -9.967 -25.461 0.000) 27.342 14.159 ( -9.967 25.461 0.000) 27.342 16.165 ( 3.714 -21.998 0.000) 22.309 16.165 ( 3.714 21.998 0.000) 22.309 16.261 ( -7.367 -22.216 0.000) 23.405 16.261 ( -7.367 22.216 0.000) 23.405 18.627 ( 28.581 -11.906 0.000) 30.962 18.627 ( 28.581 11.906 0.000) 30.962 19.190 ( -28.016 -6.096 0.000) 28.672 19.190 ( -28.016 6.096 0.000) 28.672 19.938 ( 23.271 -9.479 0.000) 25.128 19.938 ( 23.271 9.479 0.000) 25.128 20.435 ( -28.322 -13.178 0.000) 31.238 20.435 ( -28.322 13.178 0.000) 31.238 24.291 ( 31.855 -7.159 0.000) 32.650 24.291 ( 31.855 7.159 0.000) 32.650 24.829 ( -23.524 -4.889 0.000) 24.027 24.829 ( -23.524 4.889 0.000) 24.027 ======================= Grid point 45 (16/90) ======================= q-point: ( 0.00 0.00 0.10) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.343 ( 0.000 0.000 25.867) 25.867 0.405 ( 0.000 0.000 17.973) 17.973 0.821 ( 0.000 0.000 26.162) 26.162 0.843 ( 0.000 0.000 39.069) 39.069 1.284 ( 0.000 0.000 7.197) 7.197 1.942 ( 0.000 0.000 -0.685) 0.685 2.305 ( 0.000 0.000 -8.592) 8.592 2.369 ( 0.000 0.000 -0.694) 0.694 2.615 ( 0.000 0.000 8.650) 8.650 2.621 ( 0.000 0.000 0.125) 0.125 2.947 ( 0.000 0.000 2.603) 2.603 2.992 ( 0.000 0.000 1.092) 1.092 3.234 ( 0.000 0.000 -12.394) 12.394 3.240 ( 0.000 0.000 7.988) 7.988 3.263 ( 0.000 0.000 3.582) 3.582 3.584 ( 0.000 0.000 -4.618) 4.618 3.617 ( 0.000 0.000 4.467) 4.467 4.071 ( 0.000 0.000 13.600) 13.600 4.172 ( 0.000 0.000 -0.040) 0.040 4.198 ( 0.000 0.000 -2.406) 2.406 4.843 ( 0.000 0.000 -10.782) 10.782 4.954 ( 0.000 0.000 18.959) 18.959 5.111 ( 0.000 0.000 -0.531) 0.531 5.609 ( 0.000 0.000 -2.503) 2.503 5.803 ( 0.000 0.000 8.398) 8.398 5.924 ( 0.000 0.000 7.356) 7.356 6.018 ( 0.000 0.000 2.555) 2.555 6.442 ( 0.000 0.000 -10.584) 10.584 6.629 ( 0.000 0.000 6.456) 6.456 6.790 ( 0.000 0.000 3.708) 3.708 6.944 ( 0.000 0.000 10.347) 10.347 7.392 ( 0.000 0.000 -4.651) 4.651 7.551 ( 0.000 0.000 -2.777) 2.777 7.560 ( 0.000 0.000 -3.133) 3.133 7.595 ( 0.000 0.000 1.180) 1.180 7.797 ( 0.000 0.000 -8.306) 8.306 8.183 ( 0.000 0.000 -9.178) 9.178 8.290 ( 0.000 0.000 -6.034) 6.034 9.386 ( 0.000 0.000 -0.360) 0.360 9.390 ( 0.000 0.000 -1.736) 1.736 9.456 ( 0.000 0.000 -10.779) 10.779 9.993 ( 0.000 0.000 -6.728) 6.728 10.162 ( 0.000 0.000 5.135) 5.135 10.217 ( 0.000 0.000 3.570) 3.570 10.497 ( 0.000 0.000 -9.038) 9.038 10.561 ( 0.000 0.000 -4.025) 4.025 10.622 ( 0.000 0.000 -1.949) 1.949 10.913 ( 0.000 0.000 -0.511) 0.511 11.156 ( 0.000 0.000 8.143) 8.143 11.236 ( 0.000 0.000 -2.298) 2.298 12.641 ( 0.000 0.000 5.098) 5.098 12.735 ( 0.000 0.000 1.354) 1.354 12.770 ( 0.000 0.000 3.273) 3.273 12.913 ( 0.000 0.000 -0.102) 0.102 13.592 ( 0.000 0.000 2.221) 2.221 15.319 ( 0.000 0.000 0.723) 0.723 15.364 ( 0.000 0.000 -7.600) 7.600 16.050 ( 0.000 0.000 -17.551) 17.551 17.182 ( 0.000 0.000 -2.633) 2.633 17.873 ( 0.000 0.000 -20.693) 20.693 18.154 ( 0.000 0.000 1.768) 1.768 18.419 ( 0.000 0.000 0.723) 0.723 18.623 ( 0.000 0.000 -1.739) 1.739 18.746 ( 0.000 0.000 19.821) 19.821 20.311 ( 0.000 0.000 1.274) 1.274 20.517 ( 0.000 0.000 -5.024) 5.024 21.446 ( 0.000 0.000 33.678) 33.678 21.680 ( 0.000 0.000 -14.868) 14.868 22.688 ( 0.000 0.000 -18.086) 18.086 23.255 ( 0.000 0.000 16.009) 16.009 25.550 ( 0.000 0.000 -4.628) 4.628 25.554 ( 0.000 0.000 -3.038) 3.038 ======================= Grid point 46 (17/90) ======================= q-point: ( 0.11 0.00 0.10) 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 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: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.496 ( 10.130 0.000 16.137) 19.053 0.609 ( 11.643 0.000 16.014) 19.799 1.036 ( 18.309 0.000 17.809) 25.542 1.151 ( 28.265 0.000 24.164) 37.186 1.357 ( 7.135 0.000 6.285) 9.509 1.985 ( 4.400 0.000 -0.565) 4.436 2.292 ( -1.044 0.000 -8.285) 8.351 2.564 ( 18.994 0.000 -0.943) 19.018 2.636 ( 2.350 0.000 -0.528) 2.408 2.828 ( 20.322 0.000 4.820) 20.886 3.004 ( -1.264 0.000 1.160) 1.716 3.131 ( 16.755 0.000 2.964) 17.015 3.236 ( 0.605 0.000 -10.552) 10.569 3.279 ( 7.534 0.000 6.682) 10.070 3.355 ( 8.899 0.000 3.343) 9.506 3.558 ( 2.806 0.000 -0.358) 2.829 3.780 ( 6.538 0.000 -2.004) 6.838 4.062 ( 2.603 0.000 5.344) 5.944 4.183 ( 0.879 0.000 0.200) 0.902 4.323 ( 9.430 0.000 1.240) 9.511 4.744 ( -9.130 0.000 -10.261) 13.734 4.818 ( -9.500 0.000 15.814) 18.448 5.092 ( -1.763 0.000 9.546) 9.707 5.640 ( -8.668 0.000 22.737) 24.333 5.655 ( 2.117 0.000 -5.519) 5.911 5.809 ( -1.775 0.000 11.371) 11.509 5.856 ( -11.992 0.000 2.502) 12.250 6.489 ( 1.555 0.000 0.723) 1.715 6.559 ( -2.406 0.000 10.444) 10.717 6.731 ( -0.159 0.000 -2.228) 2.234 7.057 ( 3.775 0.000 2.743) 4.666 7.493 ( -5.029 0.000 -1.679) 5.302 7.565 ( 0.247 0.000 -1.206) 1.231 7.711 ( 17.615 0.000 -8.493) 19.555 7.733 ( -5.731 0.000 -7.883) 9.746 7.830 ( 25.184 0.000 -1.750) 25.245 8.112 ( -7.069 0.000 -8.899) 11.366 8.172 ( -7.325 0.000 -0.194) 7.328 9.346 ( -3.124 0.000 -1.789) 3.600 9.395 ( -3.378 0.000 -4.524) 5.646 9.407 ( -0.815 0.000 -2.046) 2.202 10.012 ( -2.951 0.000 -0.006) 2.951 10.044 ( -10.601 0.000 6.945) 12.674 10.066 ( -15.143 0.000 6.963) 16.667 10.491 ( -8.271 0.000 -3.356) 8.926 10.495 ( -1.977 0.000 -4.533) 4.945 10.559 ( 0.461 0.000 -6.918) 6.933 10.644 ( -0.062 0.000 -1.291) 1.293 11.262 ( 9.822 0.000 5.662) 11.337 12.357 ( 46.352 0.000 -46.776) 65.852 12.581 ( 8.177 0.000 -8.434) 11.748 12.723 ( -1.127 0.000 0.766) 1.363 12.806 ( 2.033 0.000 4.287) 4.744 12.923 ( 1.114 0.000 -0.133) 1.122 13.605 ( 1.056 0.000 1.931) 2.201 15.294 ( -3.898 0.000 -6.172) 7.300 15.357 ( 0.801 0.000 -1.224) 1.462 16.153 ( 8.993 0.000 -17.193) 19.403 17.019 ( -54.463 0.000 39.100) 67.045 17.145 ( -3.638 0.000 -2.328) 4.319 17.984 ( -14.996 0.000 3.374) 15.370 18.355 ( -3.788 0.000 0.827) 3.877 18.681 ( 5.741 0.000 -2.750) 6.366 18.860 ( 11.743 0.000 7.109) 13.727 20.244 ( -6.811 0.000 1.400) 6.954 20.432 ( -8.716 0.000 -5.763) 10.449 21.235 ( -15.915 0.000 9.098) 18.332 21.895 ( 24.675 0.000 17.522) 30.263 22.494 ( -19.302 0.000 -16.629) 25.478 23.335 ( 12.428 0.000 23.078) 26.212 25.447 ( -6.864 0.000 -3.643) 7.771 25.588 ( -0.399 0.000 -3.831) 3.852 ======================= Grid point 47 (18/90) ======================= q-point: ( 0.22 0.00 0.10) 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 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: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( 16.755 0.000 11.369) 20.248 0.847 ( 14.223 0.000 7.078) 15.887 1.401 ( 17.696 0.000 7.992) 19.417 1.523 ( 9.165 0.000 6.263) 11.101 1.656 ( 20.582 0.000 6.607) 21.617 2.090 ( 4.864 0.000 -0.747) 4.921 2.291 ( 2.186 0.000 -7.431) 7.746 2.720 ( 6.949 0.000 -1.320) 7.073 2.918 ( -5.856 0.000 2.335) 6.304 2.940 ( 11.047 0.000 -8.367) 13.858 3.271 ( 18.774 0.000 -1.631) 18.844 3.339 ( 14.930 0.000 -2.094) 15.076 3.477 ( 17.036 0.000 9.057) 19.294 3.588 ( 13.938 0.000 0.154) 13.938 3.592 ( 22.418 0.000 0.541) 22.425 3.684 ( 9.322 0.000 -3.415) 9.928 3.847 ( 5.286 0.000 6.914) 8.703 4.181 ( 8.824 0.000 -3.009) 9.323 4.191 ( -0.363 0.000 0.273) 0.455 4.520 ( 11.583 0.000 3.582) 12.124 4.547 ( -9.302 0.000 -9.082) 13.001 4.730 ( 2.400 0.000 10.173) 10.453 5.169 ( 10.384 0.000 17.264) 20.146 5.465 ( -16.921 0.000 -2.490) 17.103 5.619 ( 2.510 0.000 7.516) 7.924 5.778 ( -0.809 0.000 10.513) 10.544 5.818 ( 3.374 0.000 -2.948) 4.481 6.453 ( -4.644 0.000 9.346) 10.436 6.532 ( -0.407 0.000 12.731) 12.737 6.780 ( 0.144 0.000 -13.536) 13.537 6.970 ( -9.408 0.000 -7.052) 11.758 7.356 ( -10.497 0.000 -6.815) 12.515 7.534 ( -2.696 0.000 0.371) 2.721 7.637 ( -3.687 0.000 2.737) 4.592 7.930 ( -10.952 0.000 -4.504) 11.842 7.957 ( -1.381 0.000 -2.214) 2.609 8.177 ( 16.409 0.000 -2.521) 16.602 8.412 ( 32.437 0.000 0.603) 32.442 9.242 ( -6.033 0.000 -4.353) 7.439 9.378 ( 2.523 0.000 0.769) 2.638 9.400 ( -0.813 0.000 3.722) 3.810 9.722 ( -17.671 0.000 6.413) 18.799 9.810 ( -11.921 0.000 7.718) 14.202 9.892 ( -8.740 0.000 -3.533) 9.427 10.372 ( -7.034 0.000 1.834) 7.269 10.401 ( -7.445 0.000 0.034) 7.445 10.554 ( -2.015 0.000 -5.792) 6.133 10.629 ( -2.261 0.000 1.011) 2.477 11.486 ( 12.179 0.000 1.930) 12.331 12.343 ( -8.951 0.000 -4.441) 9.992 12.699 ( -1.080 0.000 -0.767) 1.324 12.817 ( 0.074 0.000 2.503) 2.504 12.965 ( 3.514 0.000 -0.300) 3.527 13.378 ( 34.201 0.000 -48.451) 59.306 13.630 ( 3.401 0.000 -3.604) 4.955 15.173 ( -8.143 0.000 -9.689) 12.656 15.394 ( 2.556 0.000 0.841) 2.690 16.062 ( -20.424 0.000 25.707) 32.832 16.625 ( 12.528 0.000 -12.879) 17.967 17.050 ( -5.886 0.000 -1.580) 6.095 17.664 ( -13.705 0.000 15.369) 20.592 18.358 ( 4.727 0.000 -5.551) 7.291 18.828 ( 8.679 0.000 -6.442) 10.809 19.173 ( 19.380 0.000 0.924) 19.402 20.043 ( -14.505 0.000 0.228) 14.507 20.190 ( -15.246 0.000 -5.301) 16.141 20.866 ( -20.931 0.000 3.759) 21.265 21.988 ( -31.365 0.000 -12.809) 33.880 22.583 ( 42.252 0.000 19.058) 46.351 23.685 ( 21.522 0.000 16.195) 26.935 25.285 ( -9.939 0.000 -3.018) 10.387 25.524 ( -6.580 0.000 -3.491) 7.449 ======================= Grid point 48 (19/90) ======================= q-point: ( 0.33 0.00 0.10) 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 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: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( 13.983 0.000 9.283) 16.784 1.137 ( 14.211 0.000 2.425) 14.416 1.669 ( 5.788 0.000 3.717) 6.878 1.696 ( 12.380 0.000 2.459) 12.622 1.946 ( 9.748 0.000 -2.302) 10.016 2.119 ( -1.483 0.000 -4.966) 5.183 2.402 ( 7.869 0.000 -6.656) 10.307 2.845 ( -0.025 0.000 7.195) 7.195 2.860 ( 1.773 0.000 -3.314) 3.758 3.002 ( 4.358 0.000 -8.385) 9.450 3.395 ( -3.067 0.000 10.253) 10.702 3.653 ( 11.615 0.000 -10.774) 15.842 3.739 ( 1.106 0.000 4.691) 4.820 3.798 ( 12.161 0.000 -0.408) 12.168 3.848 ( 9.132 0.000 -2.562) 9.484 4.042 ( 20.530 0.000 -2.164) 20.644 4.166 ( 21.659 0.000 1.764) 21.731 4.166 ( -0.770 0.000 0.777) 1.094 4.460 ( 19.580 0.000 -8.345) 21.284 4.499 ( 7.212 0.000 -6.406) 9.646 4.797 ( 15.173 0.000 2.008) 15.305 4.877 ( 11.911 0.000 0.135) 11.911 5.146 ( -15.172 0.000 1.151) 15.216 5.436 ( 13.786 0.000 20.230) 24.481 5.645 ( 2.265 0.000 6.097) 6.504 5.811 ( -5.956 0.000 -10.656) 12.207 5.836 ( 7.376 0.000 -1.932) 7.625 6.306 ( -11.373 0.000 8.311) 14.087 6.537 ( -19.252 0.000 -20.536) 28.149 6.572 ( 5.837 0.000 17.803) 18.736 6.846 ( -11.140 0.000 -9.893) 14.899 7.178 ( -3.727 0.000 -8.653) 9.421 7.472 ( -3.380 0.000 1.172) 3.577 7.534 ( -6.992 0.000 11.533) 13.487 7.716 ( -10.471 0.000 7.044) 12.620 7.847 ( -7.091 0.000 2.064) 7.385 8.589 ( 22.209 0.000 -3.617) 22.502 9.026 ( 29.648 0.000 1.210) 29.673 9.162 ( -1.952 0.000 -3.915) 4.375 9.345 ( -5.215 0.000 7.965) 9.520 9.415 ( -13.149 0.000 2.628) 13.409 9.451 ( 2.573 0.000 -0.686) 2.663 9.677 ( 1.003 0.000 5.306) 5.400 9.715 ( -8.820 0.000 -3.817) 9.611 10.195 ( -10.628 0.000 8.169) 13.405 10.216 ( -11.134 0.000 3.682) 11.727 10.467 ( -6.704 0.000 -0.512) 6.724 10.546 ( -6.213 0.000 4.939) 7.937 11.706 ( 10.149 0.000 -0.291) 10.153 12.173 ( -8.341 0.000 -4.756) 9.602 12.691 ( 0.482 0.000 -2.465) 2.512 12.806 ( -1.254 0.000 -0.556) 1.371 13.067 ( 7.029 0.000 -0.615) 7.056 13.532 ( -4.140 0.000 -1.043) 4.269 14.031 ( 24.931 0.000 -36.994) 44.610 14.988 ( -10.848 0.000 -12.323) 16.417 15.450 ( 3.149 0.000 1.225) 3.379 15.754 ( -10.893 0.000 17.497) 20.611 16.836 ( 2.758 0.000 -15.985) 16.221 16.931 ( -6.015 0.000 -0.797) 6.068 17.666 ( 17.890 0.000 9.176) 20.106 18.530 ( 12.505 0.000 -12.349) 17.575 18.978 ( 5.031 0.000 -14.911) 15.737 19.585 ( 22.652 0.000 -1.702) 22.716 19.640 ( -26.667 0.000 -8.135) 27.880 19.921 ( -10.798 0.000 6.068) 12.386 20.465 ( -19.401 0.000 8.090) 21.020 21.339 ( -34.116 0.000 -7.846) 35.007 23.421 ( 42.295 0.000 11.746) 43.895 24.121 ( 22.761 0.000 9.437) 24.640 25.054 ( -14.210 0.000 -1.605) 14.301 25.321 ( -14.400 0.000 -2.269) 14.577 ======================= Grid point 49 (20/90) ======================= q-point: ( 0.44 0.00 0.10) 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 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: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( 7.100 0.000 8.913) 11.395 1.330 ( 4.144 0.000 6.512) 7.719 1.774 ( 5.740 0.000 -1.233) 5.871 1.845 ( 1.402 0.000 0.424) 1.464 2.053 ( 2.029 0.000 -6.816) 7.112 2.073 ( -1.810 0.000 -9.521) 9.691 2.557 ( 8.533 0.000 -7.173) 11.148 2.740 ( -9.628 0.000 -6.577) 11.660 2.943 ( 9.065 0.000 11.264) 14.459 3.106 ( -3.309 0.000 5.102) 6.081 3.362 ( 7.120 0.000 5.200) 8.816 3.590 ( -12.307 0.000 1.240) 12.369 3.851 ( 9.519 0.000 -7.706) 12.247 3.970 ( 2.364 0.000 -4.726) 5.284 3.996 ( 4.832 0.000 -2.146) 5.287 4.047 ( -4.794 0.000 -1.423) 5.000 4.461 ( 15.275 0.000 -3.488) 15.669 4.497 ( 10.976 0.000 -6.647) 12.832 4.734 ( 10.906 0.000 -2.182) 11.123 4.750 ( 5.856 0.000 0.166) 5.859 4.908 ( -6.882 0.000 2.335) 7.267 4.954 ( -0.522 0.000 -8.433) 8.449 5.204 ( 19.320 0.000 -7.936) 20.886 5.572 ( -17.439 0.000 -15.714) 23.474 5.622 ( 12.821 0.000 8.744) 15.519 5.836 ( 14.027 0.000 -2.091) 14.182 5.985 ( -20.584 0.000 1.763) 20.660 6.109 ( 20.832 0.000 1.482) 20.884 6.163 ( -18.922 0.000 -15.445) 24.425 6.525 ( -19.874 0.000 -1.883) 19.963 6.787 ( 15.392 0.000 17.156) 23.049 7.075 ( -11.251 0.000 3.901) 11.908 7.420 ( -1.508 0.000 3.586) 3.890 7.434 ( -2.930 0.000 7.849) 8.378 7.592 ( 0.648 0.000 11.823) 11.840 7.700 ( -7.726 0.000 5.403) 9.428 8.970 ( 15.245 0.000 -5.371) 16.163 9.133 ( -2.758 0.000 -5.703) 6.335 9.235 ( -4.690 0.000 2.608) 5.366 9.238 ( -4.105 0.000 5.468) 6.837 9.493 ( 2.870 0.000 -0.763) 2.970 9.525 ( 19.170 0.000 0.590) 19.179 9.575 ( -4.052 0.000 -2.823) 4.938 9.746 ( -0.098 0.000 1.229) 1.233 10.007 ( -6.943 0.000 9.630) 11.872 10.011 ( -7.941 0.000 6.932) 10.541 10.346 ( -2.987 0.000 7.302) 7.889 10.406 ( -7.208 0.000 8.718) 11.312 11.877 ( 7.760 0.000 -1.872) 7.982 12.021 ( -7.385 0.000 -3.562) 8.199 12.719 ( 2.262 0.000 -3.323) 4.020 12.768 ( -2.487 0.000 -2.768) 3.722 13.230 ( 9.320 0.000 -0.760) 9.351 13.407 ( -8.305 0.000 -0.580) 8.326 14.445 ( 18.131 0.000 -25.201) 31.046 14.751 ( -13.742 0.000 -16.982) 21.846 15.516 ( 3.742 0.000 2.877) 4.720 15.602 ( -5.552 0.000 7.667) 9.466 16.814 ( -1.317 0.000 -3.580) 3.815 16.835 ( -3.377 0.000 -0.725) 3.454 18.228 ( 34.945 0.000 -7.049) 35.649 18.814 ( 15.831 0.000 -19.221) 24.901 18.863 ( -23.583 0.000 -16.532) 28.800 19.129 ( -19.576 0.000 -18.245) 26.760 19.837 ( 3.433 0.000 14.360) 14.765 19.948 ( 3.469 0.000 1.643) 3.838 20.238 ( 7.982 0.000 8.558) 11.703 20.705 ( -30.507 0.000 -2.842) 30.639 24.171 ( 33.985 0.000 5.357) 34.405 24.556 ( 22.011 0.000 4.239) 22.415 24.713 ( -21.932 0.000 0.997) 21.954 24.974 ( -20.680 0.000 0.308) 20.683 ======================= Grid point 54 (21/90) ======================= q-point: ( 0.00 0.25 0.10) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.543 ( 0.000 13.547 19.754) 23.953 0.623 ( 0.000 11.695 17.400) 20.965 0.865 ( 0.000 2.446 16.894) 17.070 1.170 ( 0.000 -10.126 7.332) 12.502 1.200 ( 0.000 21.598 17.793) 27.983 2.023 ( 0.000 -15.102 -7.769) 16.983 2.045 ( 0.000 3.878 7.345) 8.306 2.322 ( 0.000 -7.150 6.007) 9.339 2.463 ( 0.000 2.771 -7.291) 7.800 2.753 ( 0.000 -1.989 -7.681) 7.934 3.032 ( 0.000 12.996 2.224) 13.185 3.055 ( 0.000 1.374 -0.932) 1.661 3.183 ( 0.000 -1.602 3.395) 3.754 3.376 ( 0.000 10.635 -7.743) 13.155 3.511 ( 0.000 -2.500 2.433) 3.488 3.743 ( 0.000 12.411 -2.954) 12.758 3.974 ( 0.000 -8.745 -2.757) 9.169 4.177 ( 0.000 12.379 -15.063) 19.497 4.220 ( 0.000 9.092 -6.539) 11.199 4.226 ( 0.000 13.370 13.959) 19.329 4.665 ( 0.000 -9.573 7.210) 11.985 4.848 ( 0.000 -15.216 3.304) 15.571 5.077 ( 0.000 5.341 -3.827) 6.571 5.484 ( 0.000 -18.597 4.478) 19.128 5.760 ( 0.000 5.596 -3.335) 6.515 5.794 ( 0.000 -0.534 7.814) 7.832 6.222 ( 0.000 3.459 -1.286) 3.690 6.410 ( 0.000 -3.033 -9.828) 10.286 6.674 ( 0.000 5.001 6.623) 8.299 6.905 ( 0.000 -3.518 9.817) 10.428 6.984 ( 0.000 12.165 5.641) 13.409 7.415 ( 0.000 1.996 -3.686) 4.192 7.485 ( 0.000 -9.088 2.001) 9.306 7.509 ( 0.000 -1.182 -4.463) 4.617 7.764 ( 0.000 6.318 -6.463) 9.038 7.797 ( 0.000 0.036 -7.843) 7.844 8.209 ( 0.000 -1.348 -1.629) 2.115 8.219 ( 0.000 2.175 -7.439) 7.750 9.399 ( 0.000 1.237 -1.260) 1.766 9.451 ( 0.000 -0.382 -9.022) 9.030 9.655 ( 0.000 9.812 -15.768) 18.571 9.936 ( 0.000 -5.621 -8.718) 10.373 10.128 ( 0.000 -1.839 2.909) 3.441 10.144 ( 0.000 -3.502 0.614) 3.556 10.562 ( 0.000 3.541 -5.652) 6.670 10.569 ( 0.000 1.569 -4.937) 5.180 10.711 ( 0.000 6.438 0.533) 6.460 11.038 ( 0.000 -7.467 3.375) 8.195 11.201 ( 0.000 15.061 -10.294) 18.243 11.317 ( 0.000 3.928 1.982) 4.400 12.638 ( 0.000 -0.112 4.670) 4.672 12.687 ( 0.000 -2.878 1.656) 3.321 12.754 ( 0.000 0.134 2.067) 2.071 12.880 ( 0.000 -2.977 -0.828) 3.090 13.877 ( 0.000 24.746 -0.233) 24.747 15.136 ( 0.000 -20.782 -6.011) 21.633 15.336 ( 0.000 3.732 2.792) 4.661 15.832 ( 0.000 -16.531 -12.117) 20.496 17.349 ( 0.000 13.937 -6.699) 15.464 17.883 ( 0.000 -3.047 -22.257) 22.464 18.184 ( 0.000 2.783 3.285) 4.305 18.463 ( 0.000 -10.273 8.097) 13.081 18.538 ( 0.000 9.069 -1.133) 9.139 18.778 ( 0.000 -0.076 5.794) 5.795 20.194 ( 0.000 -11.966 12.222) 17.104 20.239 ( 0.000 -5.619 3.732) 6.746 21.560 ( 0.000 9.672 32.248) 33.667 21.887 ( 0.000 6.723 -4.537) 8.111 22.652 ( 0.000 -3.202 -17.422) 17.714 22.734 ( 0.000 -21.715 24.233) 32.539 25.551 ( 0.000 0.052 -4.363) 4.363 25.553 ( 0.000 -0.038 -3.261) 3.262 ======================= Grid point 55 (22/90) ======================= q-point: ( 0.11 0.25 0.10) 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 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: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.683 ( 11.460 8.250 10.746) 17.744 0.829 ( 14.363 18.737 10.541) 25.854 1.087 ( 16.167 -2.686 7.956) 18.218 1.302 ( 13.121 -3.048 10.889) 17.321 1.349 ( 16.178 15.063 15.610) 27.061 2.017 ( -0.454 -5.553 -2.203) 5.991 2.072 ( 2.326 -5.972 0.428) 6.424 2.409 ( 8.492 -12.304 5.514) 15.934 2.682 ( 21.028 1.955 -4.589) 21.612 2.880 ( 11.005 7.452 -6.911) 14.981 3.096 ( 2.098 4.716 -0.055) 5.162 3.140 ( 11.756 4.869 2.617) 12.991 3.249 ( 8.624 -1.670 0.813) 8.821 3.381 ( 1.070 10.753 -5.456) 12.105 3.537 ( 2.702 -3.008 1.104) 4.192 3.691 ( -2.591 13.786 -2.282) 14.212 3.987 ( 1.040 -9.426 -0.125) 9.484 4.145 ( 0.147 7.301 -3.468) 8.085 4.199 ( -1.774 14.422 -8.157) 16.663 4.339 ( 6.676 3.147 4.878) 8.847 4.657 ( -0.643 -6.264 1.386) 6.448 4.705 ( -9.870 -8.713 4.387) 13.877 5.071 ( -1.167 1.348 3.359) 3.803 5.419 ( -2.654 -13.267 7.518) 15.478 5.749 ( -4.211 1.410 5.026) 6.707 5.782 ( 0.012 0.647 4.894) 4.936 6.072 ( -9.825 11.709 1.644) 15.373 6.451 ( 3.095 -4.944 -5.437) 7.974 6.599 ( -3.987 5.717 8.688) 11.138 6.821 ( -3.411 3.060 8.700) 9.833 7.056 ( 2.466 3.437 0.067) 4.230 7.489 ( 1.014 -7.506 0.141) 7.575 7.531 ( 1.077 2.779 -1.689) 3.426 7.649 ( 3.159 -2.509 -6.418) 7.581 7.814 ( 12.857 2.367 -5.278) 14.098 7.869 ( 13.835 2.099 -6.433) 15.401 8.114 ( -7.860 1.539 -4.424) 9.150 8.177 ( -5.192 0.593 -3.822) 6.474 9.353 ( -3.707 0.461 -1.652) 4.084 9.386 ( -5.321 -0.808 -6.859) 8.719 9.547 ( -6.602 8.270 -5.943) 12.137 9.893 ( -6.607 -8.233 -1.784) 10.706 10.066 ( -6.940 0.433 4.912) 8.514 10.084 ( -9.810 0.178 9.926) 13.957 10.463 ( -7.202 3.113 -7.988) 11.197 10.566 ( -1.482 0.254 -6.800) 6.964 10.641 ( -9.954 5.525 -2.605) 11.679 10.680 ( -2.137 2.695 0.322) 3.454 11.356 ( 12.938 9.596 3.329) 16.449 12.087 ( 37.174 -19.966 -21.680) 47.440 12.581 ( -2.980 0.969 2.051) 3.746 12.681 ( -0.521 -2.883 1.100) 3.129 12.812 ( 7.042 2.491 -2.494) 7.876 12.952 ( 7.746 -0.698 -4.498) 8.984 13.872 ( -0.593 23.508 -0.210) 23.516 15.086 ( -4.739 -21.077 -5.143) 22.207 15.374 ( 3.425 6.010 -0.115) 6.918 15.942 ( 10.634 -17.025 -13.346) 24.105 17.251 ( -24.159 14.242 0.904) 28.059 17.393 ( -25.502 16.947 1.071) 30.639 17.948 ( -16.012 -2.134 6.919) 17.573 18.296 ( -9.704 -8.805 6.698) 14.716 18.680 ( 11.020 4.182 -4.065) 12.468 18.878 ( 9.847 -0.486 0.522) 9.873 20.194 ( -3.680 -5.163 3.605) 7.294 20.218 ( -3.306 -7.552 1.619) 8.401 21.626 ( -11.359 23.441 0.872) 26.063 21.967 ( 20.691 5.579 14.197) 25.707 22.454 ( -18.283 -3.021 -13.718) 23.056 22.932 ( 21.327 -26.680 27.734) 43.998 25.469 ( -5.868 1.854 -3.587) 7.123 25.568 ( -1.324 -1.788 -3.778) 4.385 ======================= Grid point 56 (23/90) ======================= q-point: ( 0.22 0.25 0.10) 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 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: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( 15.308 9.286 2.882) 18.135 1.091 ( 13.034 21.602 6.575) 26.072 1.381 ( 14.844 -5.136 0.037) 15.707 1.575 ( 13.571 2.578 9.037) 16.507 1.708 ( 15.651 5.542 5.037) 17.351 2.028 ( 1.745 -6.786 -1.994) 7.285 2.117 ( 2.709 -6.067 0.327) 6.652 2.577 ( 6.287 -19.723 1.394) 20.748 3.036 ( 5.243 10.305 -1.806) 11.702 3.067 ( 6.484 17.099 -1.699) 18.365 3.266 ( 22.188 2.105 -6.394) 23.187 3.397 ( 5.736 9.383 -0.342) 11.003 3.495 ( 19.870 -3.371 1.956) 20.248 3.522 ( 13.430 -4.315 2.645) 14.351 3.634 ( 9.034 -4.407 -2.891) 10.459 3.759 ( 11.388 8.781 2.086) 14.531 4.025 ( 1.942 -10.538 0.511) 10.728 4.127 ( -1.180 8.887 -3.996) 9.815 4.197 ( 4.844 2.818 0.169) 5.606 4.475 ( -0.638 -2.893 -4.071) 5.035 4.526 ( 3.683 -0.001 -0.580) 3.728 4.732 ( 5.953 -1.477 3.074) 6.860 5.123 ( 7.537 0.153 13.673) 15.613 5.422 ( 0.359 -6.091 0.764) 6.149 5.601 ( -7.001 0.545 10.110) 12.309 5.738 ( -3.858 -3.545 9.557) 10.899 6.013 ( 1.556 14.630 -5.642) 15.757 6.483 ( -1.323 -5.131 0.906) 5.375 6.526 ( -3.052 5.823 10.536) 12.419 6.828 ( 3.343 -0.300 3.052) 4.537 6.965 ( -12.224 4.495 -11.958) 17.681 7.370 ( -13.081 -1.839 -11.744) 17.675 7.492 ( -1.880 0.463 1.810) 2.651 7.678 ( 1.932 -1.223 4.086) 4.682 7.905 ( -12.034 2.332 -2.469) 12.504 8.013 ( -7.588 1.683 -2.499) 8.165 8.198 ( 20.495 2.029 -3.607) 20.909 8.359 ( 29.517 -4.164 -0.906) 29.823 9.254 ( -5.202 1.147 -3.672) 6.470 9.348 ( 1.416 -2.446 0.037) 2.826 9.449 ( -3.455 3.844 1.757) 5.459 9.696 ( -12.830 -4.904 7.345) 15.576 9.808 ( -14.626 1.485 6.503) 16.075 9.872 ( -11.659 -1.485 2.718) 12.063 10.352 ( -6.162 1.962 -3.304) 7.261 10.480 ( -7.819 2.046 -2.046) 8.338 10.543 ( -3.398 0.301 -2.991) 4.537 10.629 ( -3.775 -0.391 1.789) 4.196 11.624 ( 13.464 12.744 0.095) 18.540 12.342 ( -2.620 -4.385 -7.234) 8.856 12.586 ( 1.045 -10.842 2.201) 11.113 12.664 ( -1.244 -5.215 1.237) 5.502 13.033 ( 10.378 4.785 -4.293) 12.207 13.305 ( 28.458 -6.391 -29.389) 41.405 13.847 ( -2.277 20.802 -0.437) 20.931 14.963 ( -7.738 -20.703 -5.584) 22.796 15.451 ( 4.199 10.393 -4.203) 11.971 16.181 ( 10.651 -14.064 -13.133) 21.994 16.572 ( -26.226 18.262 16.512) 35.971 17.197 ( -10.959 3.412 -6.300) 13.093 17.673 ( -6.712 4.226 14.335) 16.383 18.225 ( 2.544 -11.624 -2.110) 12.085 18.907 ( 11.718 6.480 -8.589) 15.908 19.147 ( 16.892 -2.726 -3.434) 17.452 20.030 ( -13.215 -1.036 0.595) 13.269 20.072 ( -10.887 -5.552 0.001) 12.221 21.188 ( -26.901 22.273 -3.384) 35.089 21.899 ( -30.738 -8.300 -12.076) 34.052 22.692 ( 40.760 10.104 19.318) 46.224 23.444 ( 28.589 -19.249 18.061) 38.911 25.322 ( -9.435 3.163 -2.942) 10.377 25.489 ( -7.067 -3.028 -3.370) 8.394 ======================= Grid point 57 (24/90) ======================= q-point: ( 0.33 0.25 0.10) 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 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: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( 14.073 9.760 -0.499) 17.133 1.320 ( 10.165 17.980 6.116) 21.541 1.647 ( 11.820 -1.310 -1.616) 12.002 1.793 ( 8.354 5.343 3.700) 10.585 1.897 ( 4.832 -5.795 -4.554) 8.813 2.077 ( 2.437 -1.443 -2.389) 3.705 2.191 ( 4.666 -10.924 -1.725) 12.003 2.617 ( -1.080 -18.203 0.836) 18.254 3.077 ( -0.329 11.224 -1.808) 11.373 3.210 ( 10.202 18.974 -2.674) 21.708 3.406 ( -0.877 4.924 8.371) 9.751 3.603 ( 7.940 -4.178 -7.141) 11.467 3.687 ( 3.803 -7.139 -1.297) 8.192 3.798 ( 8.311 1.127 1.447) 8.511 3.885 ( 10.085 -1.594 -1.526) 10.324 4.034 ( -0.624 -9.626 0.740) 9.674 4.127 ( 22.446 5.236 -0.401) 23.052 4.232 ( 14.616 5.155 -1.877) 15.612 4.452 ( 7.049 -2.401 -7.062) 10.262 4.472 ( 20.848 -1.635 -4.826) 21.461 4.751 ( 11.302 -1.051 -0.828) 11.381 4.877 ( 8.832 -0.919 -2.626) 9.259 5.217 ( -4.331 6.281 3.875) 8.557 5.437 ( 9.286 0.930 16.889) 19.296 5.563 ( -2.894 -5.921 5.779) 8.765 5.731 ( 6.112 -7.560 0.549) 9.737 6.010 ( -3.053 14.270 -10.708) 18.100 6.356 ( -9.998 0.692 0.401) 10.030 6.537 ( 2.750 0.575 11.948) 12.273 6.650 ( -17.257 5.939 -14.509) 23.315 6.852 ( -5.140 1.263 -2.509) 5.857 7.130 ( -7.244 -4.179 -10.777) 13.641 7.456 ( -1.278 1.595 6.168) 6.498 7.645 ( -13.872 2.593 3.712) 14.592 7.673 ( -3.322 -0.179 10.279) 10.804 7.832 ( -9.407 -1.444 1.756) 9.678 8.633 ( 22.029 3.937 -3.192) 22.605 8.915 ( 25.544 -7.916 0.023) 26.742 9.184 ( -2.150 2.036 -4.344) 5.257 9.346 ( -4.666 -2.687 1.602) 5.618 9.426 ( -2.309 2.864 4.214) 5.594 9.475 ( -4.298 1.787 4.522) 6.489 9.617 ( -4.658 -4.187 5.052) 8.047 9.674 ( -5.370 -4.375 1.711) 7.135 10.194 ( -9.715 2.755 2.669) 10.445 10.290 ( -11.129 3.265 3.480) 12.109 10.439 ( -7.466 -1.862 0.586) 7.717 10.519 ( -7.523 -2.483 5.816) 9.828 11.854 ( 10.053 12.905 -1.551) 16.432 12.251 ( -5.412 5.701 -5.124) 9.384 12.594 ( 0.208 -10.648 -0.865) 10.685 12.640 ( -1.025 -8.260 0.172) 8.325 13.229 ( 10.245 11.429 -4.330) 15.948 13.753 ( -0.911 16.111 -6.629) 17.445 13.851 ( 19.443 -10.890 -20.911) 30.560 14.789 ( -10.223 -19.298 -7.793) 23.187 15.524 ( 3.094 13.189 -6.356) 14.964 16.100 ( -11.628 22.302 10.954) 27.434 16.451 ( 4.012 -22.885 -10.742) 25.597 16.948 ( -12.021 -8.241 2.897) 14.860 17.797 ( 18.331 11.200 2.081) 21.583 18.374 ( 12.039 -12.030 -9.672) 19.576 19.098 ( 5.782 8.451 -16.595) 19.500 19.454 ( 7.288 -8.224 -10.698) 15.337 19.712 ( -13.432 3.966 -0.093) 14.005 19.871 ( -6.152 -3.134 7.260) 10.019 20.683 ( -23.834 16.168 3.859) 29.057 21.261 ( -33.051 -7.316 -6.266) 34.426 23.500 ( 40.535 7.278 11.586) 42.782 23.990 ( 27.117 -11.030 9.987) 30.931 25.095 ( -14.267 3.529 -1.521) 14.776 25.283 ( -14.396 -3.417 -2.086) 14.942 ======================= Grid point 58 (25/90) ======================= q-point: ( 0.44 0.25 0.10) 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 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: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( 4.006 10.709 3.300) 11.901 1.491 ( 6.237 14.247 6.540) 16.872 1.803 ( 3.670 3.260 -2.889) 5.696 1.906 ( 3.829 3.198 -1.953) 5.357 1.951 ( 1.156 -7.115 -7.400) 10.330 2.087 ( -1.022 0.303 -4.816) 4.933 2.276 ( 3.120 -14.953 -6.963) 16.787 2.587 ( -1.213 -20.676 3.967) 21.088 3.058 ( -0.718 17.627 0.034) 17.641 3.338 ( -1.955 9.603 11.273) 14.937 3.443 ( 9.700 8.647 -2.306) 13.198 3.657 ( -5.950 4.166 -0.573) 7.287 3.720 ( 4.205 -9.954 -4.706) 11.786 3.868 ( 0.488 -5.590 1.914) 5.928 3.998 ( 1.216 -1.494 -1.817) 2.648 4.007 ( 0.913 -5.747 -1.499) 6.009 4.489 ( 12.958 2.316 -7.388) 15.095 4.542 ( 11.032 4.460 -8.016) 14.348 4.686 ( 13.627 -4.871 -6.313) 15.789 4.835 ( 10.153 -0.156 -6.730) 12.182 4.855 ( -0.124 2.632 0.205) 2.643 4.973 ( -4.043 2.940 2.612) 5.640 5.177 ( 5.354 -1.211 -2.851) 6.186 5.493 ( -1.724 -11.385 8.577) 14.358 5.651 ( 10.125 -0.271 -1.529) 10.243 5.822 ( -0.986 -3.831 -17.819) 18.253 5.900 ( -10.256 9.824 -11.114) 18.034 6.241 ( 5.049 6.928 5.149) 10.000 6.332 ( -10.728 7.063 -16.615) 21.001 6.639 ( -11.766 10.483 7.831) 17.597 6.687 ( 8.151 -7.448 12.761) 16.875 7.050 ( -4.936 -3.480 5.230) 7.989 7.415 ( -7.505 0.602 5.572) 9.367 7.480 ( 3.853 1.524 6.709) 7.885 7.583 ( -4.298 0.046 10.080) 10.958 7.677 ( -6.011 -1.794 6.413) 8.971 8.977 ( 10.821 0.890 -5.279) 12.073 9.142 ( -1.342 -5.273 1.804) 5.732 9.160 ( -1.120 2.255 -3.797) 4.556 9.307 ( -2.048 3.295 4.932) 6.275 9.412 ( 8.167 -3.982 -4.878) 10.312 9.521 ( -1.740 -2.832 -1.010) 3.475 9.553 ( 7.759 -0.392 3.485) 8.514 9.701 ( -0.611 -4.376 2.651) 5.153 10.027 ( -5.124 4.512 6.459) 9.399 10.097 ( -6.761 4.609 8.194) 11.581 10.295 ( -4.689 -4.146 6.675) 9.150 10.358 ( -7.772 -4.272 9.411) 12.931 12.013 ( 6.259 11.585 -2.926) 13.488 12.148 ( -4.970 10.279 -2.807) 11.757 12.600 ( 0.286 -10.775 -2.839) 11.147 12.626 ( -0.449 -9.379 -1.885) 9.577 13.427 ( 9.620 16.101 -4.554) 19.301 13.630 ( -7.910 18.010 -1.953) 19.767 14.231 ( 15.960 -15.958 -18.062) 28.907 14.571 ( -11.616 -18.325 -11.551) 24.580 15.566 ( 1.134 13.771 -6.494) 15.267 15.952 ( -3.699 20.978 8.172) 22.816 16.486 ( 0.247 -21.489 -8.355) 23.057 16.787 ( -4.203 -11.101 5.819) 13.220 18.285 ( 28.074 5.007 -10.564) 30.411 18.639 ( 12.446 -10.495 -18.809) 24.876 18.955 ( -22.156 6.504 -12.793) 26.398 19.216 ( -12.684 1.306 -14.125) 19.029 19.707 ( 3.347 0.183 2.283) 4.055 20.056 ( 19.366 -3.933 -0.094) 19.761 20.310 ( -12.983 10.543 11.379) 20.228 20.674 ( -25.297 -3.340 1.233) 25.546 24.217 ( 32.455 4.206 5.036) 33.112 24.486 ( 23.905 -5.816 4.076) 24.938 24.752 ( -21.626 3.403 1.257) 21.928 24.936 ( -20.709 -3.360 0.719) 20.992 ======================= Grid point 63 (26/90) ======================= q-point: ( 0.00 -0.50 0.10) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( 0.000 -7.651 17.946) 19.509 0.790 ( 0.000 7.651 17.946) 19.509 0.901 ( 0.000 -13.018 10.068) 16.457 0.901 ( 0.000 13.018 10.068) 16.457 1.670 ( 0.000 -19.402 -2.257) 19.533 1.670 ( 0.000 19.402 -2.257) 19.533 2.151 ( 0.000 -7.058 11.393) 13.402 2.151 ( 0.000 7.058 11.393) 13.402 2.610 ( 0.000 -8.403 -10.248) 13.253 2.610 ( 0.000 8.403 -10.248) 13.253 3.096 ( 0.000 -2.385 0.884) 2.543 3.096 ( 0.000 2.385 0.884) 2.543 3.372 ( 0.000 -10.747 -0.158) 10.748 3.372 ( 0.000 10.747 -0.158) 10.748 3.664 ( 0.000 -15.750 -2.146) 15.896 3.664 ( 0.000 15.750 -2.146) 15.896 4.035 ( 0.000 -12.639 -2.856) 12.958 4.035 ( 0.000 12.639 -2.856) 12.958 4.468 ( 0.000 -2.831 1.717) 3.311 4.468 ( 0.000 2.831 1.717) 3.311 4.578 ( 0.000 -10.003 10.829) 14.742 4.578 ( 0.000 10.003 10.829) 14.742 5.189 ( 0.000 -7.818 -9.814) 12.548 5.189 ( 0.000 7.818 -9.814) 12.548 5.794 ( 0.000 -0.463 4.740) 4.762 5.794 ( 0.000 0.463 4.740) 4.762 6.316 ( 0.000 -5.230 -7.095) 8.814 6.316 ( 0.000 5.230 -7.095) 8.814 6.800 ( 0.000 -5.929 8.501) 10.364 6.800 ( 0.000 5.929 8.501) 10.364 7.248 ( 0.000 -12.164 4.438) 12.948 7.248 ( 0.000 12.164 4.438) 12.948 7.469 ( 0.000 -2.502 -2.889) 3.822 7.469 ( 0.000 2.502 -2.889) 3.822 7.801 ( 0.000 -0.292 -6.275) 6.282 7.801 ( 0.000 0.292 -6.275) 6.282 8.233 ( 0.000 -1.184 -4.403) 4.559 8.233 ( 0.000 1.184 -4.403) 4.559 9.432 ( 0.000 -1.496 -4.469) 4.713 9.432 ( 0.000 1.496 -4.469) 4.713 9.795 ( 0.000 -6.126 -12.244) 13.691 9.795 ( 0.000 6.126 -12.244) 13.691 10.110 ( 0.000 -0.162 0.366) 0.401 10.110 ( 0.000 0.162 0.366) 0.401 10.598 ( 0.000 -0.280 -4.828) 4.837 10.598 ( 0.000 0.280 -4.828) 4.837 10.869 ( 0.000 -7.933 2.194) 8.231 10.869 ( 0.000 7.933 2.194) 8.231 11.359 ( 0.000 -1.068 -0.905) 1.400 11.359 ( 0.000 1.068 -0.905) 1.400 12.645 ( 0.000 -0.990 3.211) 3.360 12.645 ( 0.000 0.990 3.211) 3.360 12.801 ( 0.000 -3.719 -1.260) 3.927 12.801 ( 0.000 3.719 -1.260) 3.927 14.530 ( 0.000 -32.820 -3.843) 33.044 14.530 ( 0.000 32.820 -3.843) 33.044 15.506 ( 0.000 -12.027 -2.755) 12.339 15.506 ( 0.000 12.027 -2.755) 12.339 17.681 ( 0.000 -14.607 -14.629) 20.673 17.681 ( 0.000 14.607 -14.629) 20.673 18.278 ( 0.000 -6.308 7.102) 9.499 18.278 ( 0.000 6.308 7.102) 9.499 18.714 ( 0.000 -6.008 -1.513) 6.195 18.714 ( 0.000 6.008 -1.513) 6.195 20.129 ( 0.000 -3.135 8.582) 9.136 20.129 ( 0.000 3.135 8.582) 9.136 21.804 ( 0.000 -11.166 26.409) 28.673 21.804 ( 0.000 11.166 26.409) 28.673 22.577 ( 0.000 -2.189 -10.517) 10.742 22.577 ( 0.000 2.189 -10.517) 10.742 25.552 ( 0.000 -0.057 -3.803) 3.804 25.552 ( 0.000 0.057 -3.803) 3.804 ======================= Grid point 65 (27/90) ======================= q-point: ( 0.11 -0.50 0.10) 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 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: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( 11.808 -11.139 3.804) 16.672 0.903 ( 11.808 11.139 3.804) 16.672 1.162 ( 19.277 -10.979 14.348) 26.420 1.162 ( 19.277 10.979 14.348) 26.420 1.721 ( 5.826 -16.484 -2.372) 17.644 1.721 ( 5.826 16.484 -2.372) 17.644 2.158 ( 0.502 -8.825 11.130) 14.213 2.158 ( 0.502 8.825 11.130) 14.213 2.814 ( 20.326 -7.564 -8.292) 23.219 2.814 ( 20.326 7.564 -8.292) 23.219 3.183 ( 8.218 -3.674 -0.032) 9.002 3.183 ( 8.218 3.674 -0.032) 9.002 3.392 ( 1.990 -10.867 -0.794) 11.076 3.392 ( 1.990 10.867 -0.794) 11.076 3.681 ( 1.560 -15.887 -1.236) 16.011 3.681 ( 1.560 15.887 -1.236) 16.011 3.985 ( -4.202 -13.320 -0.228) 13.969 3.985 ( -4.202 13.320 -0.228) 13.969 4.485 ( 0.743 -5.308 -3.111) 6.197 4.485 ( 0.743 5.308 -3.111) 6.197 4.528 ( -3.011 -6.510 6.176) 9.465 4.528 ( -3.011 6.510 6.176) 9.465 5.173 ( 0.027 -8.474 -1.045) 8.538 5.173 ( 0.027 8.474 -1.045) 8.538 5.765 ( -3.639 -1.319 7.124) 8.108 5.765 ( -3.639 1.319 7.124) 8.108 6.301 ( -0.570 -8.996 -6.941) 11.377 6.301 ( -0.570 8.996 -6.941) 11.377 6.749 ( -3.717 -6.984 9.897) 12.670 6.749 ( -3.717 6.984 9.897) 12.670 7.263 ( 0.969 -12.331 0.752) 12.392 7.263 ( 0.969 12.331 0.752) 12.392 7.593 ( 4.170 -2.828 -2.977) 5.853 7.593 ( 4.170 2.828 -2.977) 5.853 7.859 ( 11.772 -1.964 -5.892) 13.310 7.859 ( 11.772 1.964 -5.892) 13.310 8.168 ( -6.544 -1.947 -4.008) 7.917 8.168 ( -6.544 1.947 -4.008) 7.917 9.367 ( -5.146 -0.861 -4.058) 6.610 9.367 ( -5.146 0.861 -4.058) 6.610 9.710 ( -7.287 -7.970 -6.317) 12.512 9.710 ( -7.287 7.970 -6.317) 12.512 10.074 ( -6.528 -0.589 7.530) 9.983 10.074 ( -6.528 0.589 7.530) 9.983 10.541 ( -5.518 -2.766 -6.978) 9.316 10.541 ( -5.518 2.766 -6.978) 9.316 10.707 ( -7.414 -0.890 -0.626) 7.494 10.707 ( -7.414 0.890 -0.626) 7.494 11.666 ( 20.917 -18.075 -3.141) 27.822 11.666 ( 20.917 18.075 -3.141) 27.822 12.620 ( -2.261 -2.523 2.905) 4.463 12.620 ( -2.261 2.523 2.905) 4.463 12.892 ( 9.342 -4.098 -4.840) 11.291 12.892 ( 9.342 4.098 -4.840) 11.291 14.497 ( -3.231 -31.451 -3.628) 31.824 14.497 ( -3.231 31.451 -3.628) 31.824 15.588 ( 7.764 -13.861 -4.821) 16.603 15.588 ( 7.764 13.861 -4.821) 16.603 17.514 ( -19.064 -7.260 -10.999) 23.176 17.514 ( -19.064 7.260 -10.999) 23.176 18.037 ( -15.018 -11.687 13.314) 23.225 18.037 ( -15.018 11.687 13.314) 23.225 18.811 ( 9.734 -5.580 -4.679) 12.157 18.811 ( 9.734 5.580 -4.679) 12.157 20.139 ( -1.787 -1.440 3.936) 4.556 20.139 ( -1.787 1.440 3.936) 4.556 21.998 ( 4.275 -7.819 2.001) 9.133 21.998 ( 4.275 7.819 2.001) 9.133 22.486 ( 4.224 -11.112 11.523) 16.555 22.486 ( 4.224 11.112 11.523) 16.555 25.519 ( -3.571 -2.543 -3.652) 5.706 25.519 ( -3.571 2.543 -3.652) 5.706 ======================= Grid point 67 (28/90) ======================= q-point: ( 0.22 -0.50 0.10) 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 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: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( 16.516 -11.420 -2.767) 20.269 1.190 ( 16.516 11.420 -2.767) 20.269 1.476 ( 12.420 -12.115 7.347) 18.842 1.476 ( 12.420 12.115 7.347) 18.842 1.874 ( 7.800 -7.324 -2.035) 10.892 1.874 ( 7.800 7.324 -2.035) 10.892 2.183 ( 2.480 -13.234 7.636) 15.479 2.183 ( 2.480 13.234 7.636) 15.479 3.248 ( 13.886 -8.236 -4.007) 16.634 3.248 ( 13.886 8.236 -4.007) 16.634 3.414 ( 19.426 -4.816 -1.707) 20.087 3.414 ( 19.426 4.816 -1.707) 20.087 3.448 ( 5.125 -10.551 -2.745) 12.046 3.448 ( 5.125 10.551 -2.745) 12.046 3.712 ( 1.040 -15.700 2.041) 15.867 3.712 ( 1.040 15.700 2.041) 15.867 3.975 ( 6.745 -10.956 2.499) 13.106 3.975 ( 6.745 10.956 2.499) 13.106 4.396 ( -4.745 -5.995 -6.007) 9.723 4.396 ( -4.745 5.995 -6.007) 9.723 4.619 ( 8.619 -7.342 0.836) 11.353 4.619 ( 8.619 7.342 0.836) 11.353 5.243 ( 7.357 -8.909 5.791) 12.924 5.243 ( 7.357 8.909 5.791) 12.924 5.650 ( -7.354 -3.780 9.888) 12.890 5.650 ( -7.354 3.780 9.888) 12.890 6.308 ( 0.274 -11.175 -7.181) 13.286 6.308 ( 0.274 11.175 -7.181) 13.286 6.688 ( -2.334 -8.754 9.235) 12.937 6.688 ( -2.334 8.754 9.235) 12.937 7.198 ( -9.296 -12.100 -10.202) 18.355 7.198 ( -9.296 12.100 -10.202) 18.355 7.585 ( -1.113 -5.669 1.684) 6.017 7.585 ( -1.113 5.669 1.684) 6.017 7.992 ( -10.682 -3.530 -1.542) 11.356 7.992 ( -10.682 3.530 -1.542) 11.356 8.266 ( 25.240 -4.067 -3.054) 25.747 8.266 ( 25.240 4.067 -3.054) 25.747 9.292 ( -1.997 -2.372 -1.831) 3.601 9.292 ( -1.997 2.372 -1.831) 3.601 9.557 ( -7.203 -6.375 1.474) 9.732 9.557 ( -7.203 6.375 1.474) 9.732 9.841 ( -15.191 -1.379 9.128) 17.776 9.841 ( -15.191 1.379 9.128) 17.776 10.434 ( -6.037 -4.286 -6.169) 9.637 10.434 ( -6.037 4.286 -6.169) 9.637 10.597 ( -5.812 -2.675 1.565) 6.587 10.597 ( -5.812 2.675 1.565) 6.587 11.998 ( 12.750 -20.577 -4.205) 24.569 11.998 ( 12.750 20.577 -4.205) 24.569 12.564 ( -3.487 -4.140 2.135) 5.819 12.564 ( -3.487 4.140 2.135) 5.819 13.159 ( 17.349 -6.695 -11.041) 21.626 13.159 ( 17.349 6.695 -11.041) 21.626 14.412 ( -5.551 -28.693 -3.790) 29.470 14.412 ( -5.551 28.693 -3.790) 29.470 15.768 ( 9.631 -18.412 -8.771) 22.554 15.768 ( 9.631 18.412 -8.771) 22.554 17.024 ( -26.031 -17.321 3.788) 31.495 17.024 ( -26.031 17.321 3.788) 31.495 17.917 ( 1.844 -15.458 3.855) 16.038 17.917 ( 1.844 15.458 3.855) 16.038 19.051 ( 13.891 -6.034 -8.682) 17.457 19.051 ( 13.891 6.034 -8.682) 17.457 20.016 ( -10.403 -0.362 1.865) 10.575 20.016 ( -10.403 0.362 1.865) 10.575 21.628 ( -30.324 -17.057 -9.560) 36.081 21.628 ( -30.324 17.057 -9.560) 36.081 23.009 ( 36.899 -18.900 19.578) 45.848 23.009 ( 36.899 18.900 19.578) 45.848 25.406 ( -8.240 -4.313 -3.090) 9.801 25.406 ( -8.240 4.313 -3.090) 9.801 ======================= Grid point 69 (29/90) ======================= q-point: ( 0.33 -0.50 0.10) 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 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: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( 14.757 -11.908 -5.890) 19.856 1.505 ( 14.757 11.908 -5.890) 19.856 1.664 ( 7.651 -11.255 3.036) 13.944 1.664 ( 7.651 11.255 3.036) 13.944 1.978 ( 3.256 -8.284 0.036) 8.901 1.978 ( 3.256 8.284 0.036) 8.901 2.225 ( 0.418 -14.440 0.433) 14.452 2.225 ( 0.418 14.440 0.433) 14.452 3.350 ( 2.519 -12.375 -0.974) 12.667 3.350 ( 2.519 12.375 -0.974) 12.667 3.546 ( 3.589 -5.605 -1.515) 6.826 3.546 ( 3.589 5.605 -1.515) 6.826 3.685 ( 3.314 -14.922 0.590) 15.297 3.685 ( 3.314 14.922 0.590) 15.297 3.845 ( 10.657 -3.021 1.057) 11.127 3.845 ( 10.657 3.021 1.057) 11.127 4.260 ( 18.846 -4.572 -1.354) 19.440 4.260 ( 18.846 4.572 -1.354) 19.440 4.415 ( 9.869 -1.540 -5.775) 11.538 4.415 ( 9.869 1.540 -5.775) 11.538 4.814 ( 10.644 -4.652 -2.946) 11.984 4.814 ( 10.644 4.652 -2.946) 11.984 5.373 ( -0.613 -7.379 5.189) 9.042 5.373 ( -0.613 7.379 5.189) 9.042 5.564 ( 3.769 -6.762 7.380) 10.696 5.564 ( 3.769 6.762 7.380) 10.696 6.274 ( -3.371 -8.187 -6.120) 10.763 6.274 ( -3.371 8.187 -6.120) 10.763 6.621 ( -7.059 -6.257 -0.115) 9.433 6.621 ( -7.059 6.257 -0.115) 9.433 6.991 ( -7.707 -8.805 -7.310) 13.797 6.991 ( -7.707 8.805 -7.310) 13.797 7.543 ( -4.363 -5.638 6.792) 9.847 7.543 ( -4.363 5.638 6.792) 9.847 7.777 ( -10.314 -3.924 3.612) 11.612 7.777 ( -10.314 3.924 3.612) 11.612 8.750 ( 22.722 -6.810 -1.840) 23.792 8.750 ( 22.722 6.810 -1.840) 23.792 9.255 ( -2.672 -4.471 -3.637) 6.353 9.255 ( -2.672 4.471 -3.637) 6.353 9.502 ( 1.651 -1.693 5.874) 6.332 9.502 ( 1.651 1.693 5.874) 6.332 9.567 ( -10.571 -2.905 6.213) 12.601 9.567 ( -10.571 2.905 6.213) 12.601 10.283 ( -9.180 -3.929 -0.984) 10.034 10.283 ( -9.180 3.929 -0.984) 10.034 10.451 ( -9.349 -3.147 5.838) 11.463 10.451 ( -9.349 3.147 5.838) 11.463 12.185 ( 7.289 -15.074 -4.461) 17.328 12.185 ( 7.289 15.074 -4.461) 17.328 12.489 ( -4.064 -5.656 0.709) 7.001 12.489 ( -4.064 5.656 0.709) 7.001 13.513 ( 18.076 -14.787 -12.110) 26.307 13.513 ( 18.076 14.787 -12.110) 26.307 14.279 ( -8.179 -25.980 -4.908) 27.676 14.279 ( -8.179 25.980 -4.908) 27.676 15.922 ( 5.712 -22.161 -10.800) 25.306 15.922 ( 5.712 22.161 -10.800) 25.306 16.613 ( -15.594 -20.949 8.481) 27.458 16.613 ( -15.594 20.949 8.481) 27.458 18.082 ( 14.748 -14.290 -5.031) 21.143 18.082 ( 14.748 14.290 -5.031) 21.143 19.278 ( 5.314 -8.134 -15.753) 18.509 19.278 ( 5.314 8.134 -15.753) 18.509 19.798 ( -7.869 -3.803 4.860) 10.000 19.798 ( -7.869 3.803 4.860) 10.000 21.027 ( -29.628 -14.257 -1.956) 32.938 21.027 ( -29.628 14.257 -1.956) 32.938 23.720 ( 35.048 -12.536 10.994) 38.812 23.720 ( 35.048 12.536 10.994) 38.812 25.189 ( -14.361 -4.842 -1.705) 15.251 25.189 ( -14.361 4.842 -1.705) 15.251 ======================= Grid point 71 (30/90) ======================= q-point: ( 0.44 -0.50 0.10) 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 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: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( 3.741 -11.537 -3.935) 12.751 1.692 ( 3.741 11.537 -3.935) 12.751 1.814 ( 7.347 -8.348 1.429) 11.212 1.814 ( 7.347 8.348 1.429) 11.212 2.009 ( -0.120 -8.687 -4.174) 9.639 2.009 ( -0.120 8.687 -4.174) 9.639 2.195 ( -2.214 -12.537 -0.826) 12.757 2.195 ( -2.214 12.537 -0.826) 12.757 3.414 ( 3.972 -13.548 0.432) 14.125 3.414 ( 3.972 13.548 0.432) 14.125 3.519 ( -4.067 -7.119 2.395) 8.542 3.519 ( -4.067 7.119 2.395) 8.542 3.802 ( 6.424 -11.634 -0.806) 13.314 3.802 ( 6.424 11.634 -0.806) 13.314 3.906 ( -1.806 -5.975 1.982) 6.550 3.906 ( -1.806 5.975 1.982) 6.550 4.564 ( 12.087 -4.847 -10.019) 16.431 4.564 ( 12.087 4.847 -10.019) 16.431 4.687 ( 8.964 -7.977 -9.109) 15.065 4.687 ( 8.964 7.977 -9.109) 15.065 5.005 ( 9.073 -5.392 0.945) 10.597 5.005 ( 9.073 5.392 0.945) 10.597 5.236 ( -9.065 -10.145 9.445) 16.563 5.236 ( -9.065 10.145 9.445) 16.563 5.694 ( 4.067 -4.747 -13.619) 14.985 5.694 ( 4.067 4.747 -13.619) 14.985 6.195 ( -5.036 -10.662 -11.144) 16.224 6.195 ( -5.036 10.662 -11.144) 16.224 6.504 ( 0.257 -8.876 3.786) 9.654 6.504 ( 0.257 8.876 3.786) 9.654 6.897 ( -4.529 -10.745 8.570) 14.472 6.897 ( -4.529 10.745 8.570) 14.472 7.450 ( -2.868 -2.622 6.079) 7.215 7.450 ( -2.868 2.622 6.079) 7.215 7.628 ( -4.563 -2.880 7.909) 9.575 7.628 ( -4.563 2.880 7.909) 9.575 9.026 ( 3.812 -4.072 -2.376) 6.062 9.026 ( 3.812 4.072 -2.376) 6.062 9.258 ( 2.169 -5.806 -2.217) 6.582 9.258 ( 2.169 5.806 -2.217) 6.582 9.437 ( 2.176 -4.624 1.298) 5.272 9.437 ( 2.176 4.624 1.298) 5.272 9.596 ( 1.547 -4.401 3.057) 5.578 9.596 ( 1.547 4.401 3.057) 5.578 10.141 ( -2.515 -3.967 5.700) 7.386 10.141 ( -2.515 3.967 5.700) 7.386 10.252 ( -9.879 -3.783 9.257) 14.057 10.252 ( -9.879 3.783 9.257) 14.057 12.299 ( 4.532 -11.703 -4.082) 13.197 12.299 ( 4.532 11.703 -4.082) 13.197 12.411 ( -3.707 -8.765 -1.027) 9.572 12.411 ( -3.707 8.765 -1.027) 9.572 13.836 ( 14.911 -20.118 -9.615) 26.824 13.836 ( 14.911 20.118 -9.615) 26.824 14.091 ( -11.362 -23.618 -6.942) 27.113 14.091 ( -11.362 23.618 -6.942) 27.113 15.988 ( 1.431 -23.088 -10.449) 25.383 15.988 ( 1.431 23.088 -10.449) 25.383 16.418 ( -4.836 -21.204 8.936) 23.512 16.418 ( -4.836 21.204 8.936) 23.512 18.431 ( 17.564 -8.451 -15.909) 25.160 18.431 ( 17.564 8.451 -15.909) 25.160 19.117 ( -15.488 -7.774 -9.054) 19.552 19.117 ( -15.488 7.774 -9.054) 19.552 19.868 ( 9.809 -10.874 -4.533) 15.330 19.868 ( 9.809 10.874 -4.533) 15.330 20.543 ( -17.620 -8.993 7.850) 21.283 20.543 ( -17.620 8.993 7.850) 21.283 24.341 ( 28.455 -6.919 4.395) 29.612 24.341 ( 28.455 6.919 4.395) 29.612 24.844 ( -21.127 -4.761 1.241) 21.693 24.844 ( -21.127 4.761 1.241) 21.693 ======================= Grid point 90 (31/90) ======================= q-point: ( 0.00 0.00 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.745 ( 0.000 0.000 15.946) 15.946 0.902 ( 0.000 0.000 26.785) 26.785 1.301 ( 0.000 0.000 20.224) 20.224 1.437 ( 0.000 0.000 9.431) 9.431 1.501 ( 0.000 0.000 26.180) 26.180 1.933 ( 0.000 0.000 -0.036) 0.036 2.123 ( 0.000 0.000 -8.565) 8.565 2.337 ( 0.000 0.000 -3.213) 3.213 2.588 ( 0.000 0.000 -5.754) 5.754 2.863 ( 0.000 0.000 15.588) 15.588 2.954 ( 0.000 0.000 -10.751) 10.751 2.992 ( 0.000 0.000 -0.474) 0.474 3.031 ( 0.000 0.000 6.045) 6.045 3.365 ( 0.000 0.000 5.048) 5.048 3.428 ( 0.000 0.000 10.292) 10.292 3.587 ( 0.000 0.000 4.305) 4.305 3.703 ( 0.000 0.000 2.522) 2.522 4.162 ( 0.000 0.000 -1.191) 1.191 4.170 ( 0.000 0.000 0.844) 0.844 4.386 ( 0.000 0.000 16.146) 16.146 4.554 ( 0.000 0.000 -17.060) 17.060 5.145 ( 0.000 0.000 4.950) 4.950 5.343 ( 0.000 0.000 19.073) 19.073 5.505 ( 0.000 0.000 -7.933) 7.933 6.047 ( 0.000 0.000 15.305) 15.305 6.089 ( 0.000 0.000 8.646) 8.646 6.136 ( 0.000 0.000 9.421) 9.421 6.277 ( 0.000 0.000 -5.694) 5.694 6.795 ( 0.000 0.000 8.547) 8.547 6.893 ( 0.000 0.000 6.484) 6.484 7.094 ( 0.000 0.000 4.023) 4.023 7.281 ( 0.000 0.000 -5.524) 5.524 7.455 ( 0.000 0.000 -7.110) 7.110 7.502 ( 0.000 0.000 -1.040) 1.040 7.577 ( 0.000 0.000 -12.994) 12.994 7.620 ( 0.000 0.000 1.188) 1.188 7.927 ( 0.000 0.000 -15.813) 15.813 8.122 ( 0.000 0.000 -10.519) 10.519 9.175 ( 0.000 0.000 -16.805) 16.805 9.327 ( 0.000 0.000 -6.415) 6.415 9.349 ( 0.000 0.000 -2.193) 2.193 9.842 ( 0.000 0.000 -8.030) 8.030 10.273 ( 0.000 0.000 1.837) 1.837 10.280 ( 0.000 0.000 6.003) 6.003 10.393 ( 0.000 0.000 -0.437) 0.437 10.460 ( 0.000 0.000 -4.927) 4.927 10.572 ( 0.000 0.000 -2.545) 2.545 10.907 ( 0.000 0.000 0.031) 0.031 11.208 ( 0.000 0.000 -0.395) 0.395 11.267 ( 0.000 0.000 2.430) 2.430 12.728 ( 0.000 0.000 2.614) 2.614 12.766 ( 0.000 0.000 1.536) 1.536 12.855 ( 0.000 0.000 4.760) 4.760 12.912 ( 0.000 0.000 0.018) 0.018 13.655 ( 0.000 0.000 4.093) 4.093 15.147 ( 0.000 0.000 -13.739) 13.739 15.335 ( 0.000 0.000 0.757) 0.757 15.676 ( 0.000 0.000 -17.328) 17.328 17.114 ( 0.000 0.000 -3.918) 3.918 17.493 ( 0.000 0.000 -16.860) 16.860 18.180 ( 0.000 0.000 0.814) 0.814 18.491 ( 0.000 0.000 6.876) 6.876 18.576 ( 0.000 0.000 -2.884) 2.884 19.117 ( 0.000 0.000 17.470) 17.470 20.346 ( 0.000 0.000 2.212) 2.212 20.362 ( 0.000 0.000 -10.635) 10.635 21.342 ( 0.000 0.000 -17.595) 17.595 22.197 ( 0.000 0.000 -29.981) 29.981 22.257 ( 0.000 0.000 44.268) 44.268 23.634 ( 0.000 0.000 20.836) 20.836 25.413 ( 0.000 0.000 -9.181) 9.181 25.463 ( 0.000 0.000 -6.036) 6.036 ======================= Grid point 91 (32/90) ======================= q-point: ( 0.11 0.00 0.20) 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 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: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.820 ( 7.945 0.000 15.765) 17.654 0.972 ( 3.329 0.000 18.955) 19.245 1.389 ( 8.021 0.000 15.559) 17.505 1.492 ( 5.474 0.000 8.833) 10.392 1.652 ( 12.911 0.000 21.635) 25.194 1.974 ( 4.242 0.000 -0.559) 4.279 2.117 ( -0.512 0.000 -8.099) 8.116 2.491 ( 11.887 0.000 -8.545) 14.639 2.607 ( 3.904 0.000 -2.915) 4.872 2.983 ( 9.044 0.000 5.121) 10.393 3.023 ( 11.513 0.000 -0.602) 11.528 3.030 ( 0.751 0.000 1.723) 1.880 3.210 ( 16.770 0.000 5.531) 17.658 3.354 ( 5.646 0.000 1.731) 5.906 3.531 ( 7.277 0.000 11.640) 13.727 3.545 ( -0.561 0.000 0.707) 0.903 3.847 ( 9.740 0.000 4.658) 10.796 4.175 ( 0.829 0.000 5.647) 5.708 4.178 ( 1.222 0.000 -1.087) 1.636 4.427 ( 4.480 0.000 8.627) 9.721 4.482 ( -6.695 0.000 -14.838) 16.279 5.092 ( -6.910 0.000 11.225) 13.181 5.290 ( -0.228 0.000 12.650) 12.652 5.491 ( -2.709 0.000 -10.312) 10.662 5.946 ( -10.625 0.000 6.145) 12.274 5.959 ( -6.329 0.000 14.877) 16.167 6.059 ( -3.042 0.000 10.597) 11.025 6.454 ( 9.190 0.000 -3.074) 9.691 6.783 ( -0.411 0.000 9.330) 9.339 6.787 ( -7.959 0.000 6.260) 10.125 7.034 ( -9.090 0.000 -4.608) 10.192 7.362 ( -11.058 0.000 -13.525) 17.470 7.483 ( 12.486 0.000 -5.735) 13.740 7.610 ( 5.880 0.000 -2.238) 6.292 7.629 ( 7.150 0.000 -0.784) 7.193 7.827 ( 27.509 0.000 2.497) 27.622 7.882 ( -3.853 0.000 -13.315) 13.861 8.081 ( -3.089 0.000 -7.829) 8.416 9.172 ( -0.560 0.000 -12.945) 12.957 9.302 ( 0.076 0.000 -5.036) 5.036 9.415 ( 4.086 0.000 -0.310) 4.098 9.873 ( -1.301 0.000 -7.649) 7.758 10.196 ( -8.669 0.000 7.673) 11.577 10.222 ( -2.258 0.000 1.731) 2.845 10.413 ( 0.508 0.000 -5.180) 5.205 10.444 ( 0.076 0.000 -1.299) 1.301 10.461 ( -20.856 0.000 1.996) 20.952 10.657 ( 2.224 0.000 2.424) 3.290 11.345 ( 7.272 0.000 2.006) 7.544 11.759 ( 35.616 0.000 -16.108) 39.089 12.595 ( -9.301 0.000 2.264) 9.573 12.738 ( -2.704 0.000 0.597) 2.769 12.893 ( 0.935 0.000 3.691) 3.808 12.921 ( 0.980 0.000 -0.068) 0.983 13.660 ( 0.245 0.000 3.509) 3.518 15.083 ( -6.228 0.000 -13.889) 15.221 15.356 ( 1.852 0.000 0.245) 1.869 15.768 ( 9.104 0.000 -18.253) 20.397 17.085 ( -2.900 0.000 -3.524) 4.564 17.228 ( -26.174 0.000 -4.729) 26.598 18.080 ( -9.303 0.000 5.616) 10.866 18.402 ( -6.140 0.000 3.753) 7.196 18.612 ( 3.379 0.000 -3.899) 5.159 19.105 ( 1.545 0.000 15.257) 15.335 20.212 ( -12.566 0.000 -10.014) 16.068 20.323 ( -4.953 0.000 -0.003) 4.953 21.165 ( -14.648 0.000 -10.786) 18.191 22.041 ( -15.445 0.000 -27.682) 31.700 22.508 ( 23.222 0.000 37.937) 44.480 23.756 ( 11.178 0.000 19.686) 22.638 25.337 ( -6.023 0.000 -7.487) 9.609 25.476 ( -0.542 0.000 -7.291) 7.311 ======================= Grid point 92 (33/90) ======================= q-point: ( 0.22 0.00 0.20) 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 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: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( 3.242 0.000 10.273) 10.772 1.041 ( 13.881 0.000 14.169) 19.835 1.565 ( 9.412 0.000 7.517) 12.045 1.635 ( 8.584 0.000 4.746) 9.808 1.872 ( 7.717 0.000 13.017) 15.132 2.055 ( 0.589 0.000 -3.282) 3.335 2.128 ( 4.146 0.000 -7.715) 8.759 2.635 ( 7.325 0.000 -14.603) 16.337 2.737 ( 4.030 0.000 -4.002) 5.679 2.988 ( -2.394 0.000 4.644) 5.225 3.249 ( 16.485 0.000 1.493) 16.553 3.356 ( 18.550 0.000 3.417) 18.862 3.569 ( 16.976 0.000 -0.205) 16.977 3.590 ( 5.259 0.000 -3.350) 6.235 3.633 ( 17.824 0.000 3.796) 18.224 3.709 ( 13.069 0.000 11.268) 17.256 4.013 ( 7.246 0.000 6.082) 9.461 4.191 ( -0.160 0.000 -0.506) 0.531 4.227 ( 5.413 0.000 7.725) 9.433 4.344 ( -5.549 0.000 -9.860) 11.314 4.571 ( 10.637 0.000 2.329) 10.889 4.937 ( -5.825 0.000 9.919) 11.503 5.360 ( -10.251 0.000 -8.208) 13.133 5.435 ( 14.539 0.000 9.362) 17.293 5.790 ( -6.851 0.000 0.436) 6.865 5.847 ( -4.898 0.000 14.615) 15.414 5.987 ( -4.550 0.000 9.807) 10.811 6.464 ( -11.669 0.000 -15.397) 19.319 6.604 ( -12.982 0.000 -0.854) 13.010 6.797 ( 2.106 0.000 10.407) 10.618 6.853 ( -4.660 0.000 -2.533) 5.304 7.106 ( -10.752 0.000 -12.050) 16.150 7.536 ( -1.584 0.000 -0.321) 1.616 7.725 ( 1.872 0.000 2.083) 2.800 7.821 ( -0.402 0.000 -5.223) 5.239 7.890 ( 6.180 0.000 -4.211) 7.478 8.116 ( 14.321 0.000 -3.198) 14.674 8.455 ( 33.850 0.000 4.129) 34.101 9.144 ( -2.260 0.000 -5.622) 6.060 9.349 ( 4.542 0.000 -3.845) 5.950 9.490 ( 3.733 0.000 4.846) 6.117 9.716 ( -12.778 0.000 -3.345) 13.209 9.970 ( -13.569 0.000 7.200) 15.361 9.987 ( -18.359 0.000 8.823) 20.369 10.340 ( 3.118 0.000 -4.658) 5.605 10.368 ( -4.214 0.000 -6.001) 7.333 10.488 ( 2.735 0.000 3.075) 4.115 10.703 ( 1.098 0.000 5.982) 6.082 11.517 ( 9.696 0.000 0.875) 9.736 12.199 ( -1.646 0.000 -11.351) 11.470 12.648 ( 23.529 0.000 -17.330) 29.222 12.673 ( -3.594 0.000 -1.885) 4.058 12.884 ( 0.581 0.000 0.854) 1.033 12.958 ( 3.186 0.000 -0.331) 3.203 13.650 ( -1.648 0.000 2.029) 2.614 14.919 ( -10.519 0.000 -15.325) 18.588 15.400 ( 2.613 0.000 -0.154) 2.617 15.992 ( 11.439 0.000 -17.409) 20.831 16.661 ( -25.583 0.000 6.427) 26.378 17.008 ( -4.758 0.000 -2.476) 5.364 17.899 ( -8.537 0.000 7.864) 11.607 18.294 ( -3.451 0.000 -0.303) 3.464 18.682 ( 2.914 0.000 -7.369) 7.925 19.254 ( 13.525 0.000 7.250) 15.346 19.861 ( -23.404 0.000 -16.915) 28.877 20.193 ( -7.467 0.000 3.833) 8.393 20.861 ( -15.921 0.000 -4.032) 16.423 21.636 ( -25.046 0.000 -21.617) 33.084 23.067 ( 32.550 0.000 27.420) 42.560 24.018 ( 15.042 0.000 15.745) 21.775 25.195 ( -8.595 0.000 -6.038) 10.504 25.418 ( -5.765 0.000 -7.135) 9.173 ======================= Grid point 93 (34/90) ======================= q-point: ( 0.33 0.00 0.20) 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 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: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.152 ( 10.874 0.000 0.436) 10.883 1.314 ( 13.203 0.000 12.850) 18.424 1.738 ( 8.087 0.000 1.520) 8.228 1.782 ( 5.187 0.000 4.456) 6.838 1.938 ( 0.185 0.000 3.286) 3.292 1.983 ( -6.890 0.000 -8.479) 10.925 2.256 ( 7.667 0.000 -7.288) 10.578 2.704 ( -2.648 0.000 -13.462) 13.720 2.891 ( 13.818 0.000 -1.799) 13.935 3.006 ( 4.579 0.000 7.750) 9.002 3.474 ( 8.096 0.000 -4.386) 9.208 3.562 ( 1.617 0.000 4.992) 5.248 3.744 ( 1.591 0.000 0.213) 1.605 3.784 ( 12.099 0.000 -2.410) 12.337 3.894 ( 2.801 0.000 3.506) 4.488 3.970 ( 10.570 0.000 -3.117) 11.020 4.155 ( 8.820 0.000 -1.352) 8.923 4.192 ( 3.411 0.000 2.495) 4.226 4.417 ( 13.600 0.000 2.767) 13.879 4.420 ( 15.232 0.000 -0.887) 15.258 4.784 ( 6.565 0.000 -1.342) 6.700 4.947 ( 9.234 0.000 4.405) 10.231 5.148 ( -10.570 0.000 -1.537) 10.681 5.587 ( -15.191 0.000 -11.278) 18.920 5.753 ( 2.640 0.000 5.710) 6.291 5.833 ( 15.652 0.000 16.139) 22.483 5.873 ( -5.108 0.000 5.995) 7.876 6.142 ( -19.353 0.000 -19.682) 27.603 6.259 ( -17.592 0.000 -11.567) 21.054 6.767 ( -6.508 0.000 4.269) 7.783 6.874 ( 5.913 0.000 10.097) 11.701 7.054 ( 2.834 0.000 -4.147) 5.022 7.501 ( -1.200 0.000 1.730) 2.105 7.671 ( -4.725 0.000 1.397) 4.928 7.842 ( -0.152 0.000 5.450) 5.453 7.878 ( -2.789 0.000 0.465) 2.828 8.523 ( 21.794 0.000 -2.064) 21.892 9.071 ( 28.673 0.000 3.201) 28.851 9.093 ( -2.765 0.000 -2.281) 3.584 9.421 ( 0.561 0.000 -2.073) 2.147 9.454 ( -12.420 0.000 1.446) 12.504 9.557 ( 1.072 0.000 10.990) 11.042 9.693 ( -11.533 0.000 1.570) 11.639 9.746 ( -5.406 0.000 1.946) 5.746 10.256 ( -7.061 0.000 -1.483) 7.215 10.343 ( -3.544 0.000 5.853) 6.843 10.528 ( 1.464 0.000 7.966) 8.100 10.692 ( -2.131 0.000 9.306) 9.547 11.694 ( 8.012 0.000 -0.983) 8.072 12.052 ( -8.316 0.000 -6.860) 10.780 12.618 ( -1.588 0.000 -4.777) 5.034 12.767 ( -3.915 0.000 -4.094) 5.665 13.053 ( 6.661 0.000 -0.699) 6.698 13.286 ( 25.702 0.000 -23.353) 34.727 13.607 ( -0.123 0.000 -2.477) 2.480 14.676 ( -14.516 0.000 -17.909) 23.053 15.460 ( 3.759 0.000 -0.158) 3.763 15.965 ( -13.763 0.000 3.122) 14.113 16.525 ( 9.729 0.000 -12.883) 16.144 16.909 ( -5.242 0.000 -1.359) 5.415 17.809 ( 1.975 0.000 4.841) 5.229 18.307 ( 4.696 0.000 -8.529) 9.736 18.689 ( -3.064 0.000 -12.972) 13.329 19.323 ( -31.091 0.000 -21.404) 37.746 19.586 ( 19.676 0.000 1.880) 19.766 20.075 ( -3.709 0.000 7.425) 8.300 20.567 ( -13.909 0.000 1.579) 13.999 21.117 ( -27.485 0.000 -14.093) 30.887 23.711 ( 32.680 0.000 16.070) 36.418 24.322 ( 16.097 0.000 9.536) 18.710 25.000 ( -11.724 0.000 -3.922) 12.362 25.245 ( -12.052 0.000 -5.516) 13.255 ======================= Grid point 94 (35/90) ======================= q-point: ( 0.44 0.00 0.20) 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 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: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( 12.562 0.000 -1.847) 12.697 1.506 ( 4.402 0.000 10.846) 11.705 1.799 ( -2.500 0.000 5.546) 6.083 1.814 ( -6.045 0.000 -6.183) 8.647 1.876 ( 3.776 0.000 -5.872) 6.981 1.930 ( -1.044 0.000 -4.998) 5.105 2.421 ( 9.260 0.000 -6.801) 11.489 2.596 ( -7.941 0.000 -8.484) 11.621 3.131 ( 6.386 0.000 6.263) 8.945 3.137 ( 8.196 0.000 -0.422) 8.207 3.534 ( 0.278 0.000 9.469) 9.473 3.645 ( -8.979 0.000 5.255) 10.404 3.656 ( 9.848 0.000 -9.146) 13.440 3.839 ( -7.347 0.000 -7.689) 10.635 3.954 ( 5.833 0.000 -2.071) 6.190 4.020 ( -1.201 0.000 -1.650) 2.041 4.338 ( 7.746 0.000 -6.900) 10.374 4.357 ( 6.789 0.000 -3.986) 7.872 4.689 ( 12.199 0.000 -5.625) 13.434 4.729 ( 11.040 0.000 -2.270) 11.271 4.853 ( 3.358 0.000 -3.165) 4.615 4.963 ( -8.632 0.000 3.834) 9.445 5.144 ( 6.553 0.000 1.022) 6.633 5.284 ( -12.231 0.000 -10.848) 16.349 5.706 ( -5.651 0.000 -3.526) 6.661 5.772 ( -14.076 0.000 -18.599) 23.325 5.806 ( 6.510 0.000 8.512) 10.716 6.000 ( -11.542 0.000 -0.411) 11.549 6.268 ( 20.809 0.000 7.585) 22.149 6.591 ( -12.311 0.000 4.841) 13.228 7.010 ( 7.016 0.000 5.173) 8.716 7.093 ( -0.651 0.000 -1.235) 1.396 7.509 ( 2.151 0.000 4.806) 5.266 7.577 ( -4.506 0.000 5.070) 6.783 7.815 ( -1.384 0.000 9.123) 9.228 7.824 ( -2.224 0.000 5.911) 6.315 8.876 ( 13.379 0.000 -2.643) 13.638 9.033 ( -4.140 0.000 -2.734) 4.961 9.292 ( -3.182 0.000 2.775) 4.222 9.336 ( -6.381 0.000 3.184) 7.131 9.529 ( -1.090 0.000 2.528) 2.753 9.539 ( 15.247 0.000 0.761) 15.266 9.545 ( -0.149 0.000 -0.497) 0.519 9.753 ( -1.819 0.000 0.660) 1.934 10.143 ( -1.817 0.000 6.640) 6.884 10.223 ( -7.455 0.000 11.746) 13.912 10.562 ( 2.519 0.000 13.148) 13.387 10.629 ( -3.956 0.000 12.714) 13.316 11.820 ( 5.283 0.000 -3.822) 6.520 11.919 ( -5.497 0.000 -6.452) 8.476 12.622 ( 1.919 0.000 -6.314) 6.599 12.684 ( -4.128 0.000 -5.721) 7.055 13.211 ( 9.166 0.000 -1.093) 9.231 13.382 ( -7.374 0.000 -2.250) 7.709 13.924 ( 24.192 0.000 -23.902) 34.008 14.350 ( -19.354 0.000 -21.423) 28.871 15.553 ( 6.166 0.000 0.859) 6.225 15.713 ( -10.638 0.000 3.248) 11.123 16.709 ( 6.858 0.000 -7.052) 9.837 16.812 ( -4.744 0.000 -1.715) 5.045 18.048 ( 22.148 0.000 -9.887) 24.255 18.456 ( 10.167 0.000 -15.110) 18.212 18.517 ( -17.929 0.000 -16.623) 24.449 18.739 ( -23.846 0.000 -20.392) 31.377 19.969 ( 16.782 0.000 0.854) 16.804 20.065 ( 1.794 0.000 8.741) 8.924 20.365 ( -3.688 0.000 3.295) 4.946 20.607 ( -23.795 0.000 -7.146) 24.844 24.295 ( 26.721 0.000 6.404) 27.477 24.638 ( 16.459 0.000 3.240) 16.775 24.724 ( -17.500 0.000 -0.199) 17.501 24.961 ( -16.507 0.000 -1.965) 16.624 ======================= Grid point 99 (36/90) ======================= q-point: ( 0.00 0.25 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( 0.000 13.325 12.911) 18.554 1.008 ( 0.000 8.278 22.851) 24.304 1.288 ( 0.000 -2.704 21.881) 22.047 1.383 ( 0.000 -6.209 15.160) 16.382 1.553 ( 0.000 5.181 17.041) 17.811 1.882 ( 0.000 -11.281 -6.271) 12.907 2.060 ( 0.000 10.073 -4.697) 11.114 2.419 ( 0.000 -0.914 2.680) 2.832 2.588 ( 0.000 -10.239 17.797) 20.532 2.595 ( 0.000 -2.844 -7.717) 8.225 3.044 ( 0.000 3.146 0.229) 3.154 3.074 ( 0.000 8.881 2.378) 9.194 3.115 ( 0.000 10.053 -8.935) 13.450 3.330 ( 0.000 -1.858 5.473) 5.780 3.555 ( 0.000 -5.026 1.287) 5.188 3.793 ( 0.000 12.982 5.925) 14.270 3.864 ( 0.000 16.424 -7.162) 17.918 3.968 ( 0.000 -8.156 -3.463) 8.861 4.217 ( 0.000 -1.723 0.608) 1.827 4.489 ( 0.000 -2.754 -7.984) 8.446 4.551 ( 0.000 10.615 6.336) 12.362 4.991 ( 0.000 -8.144 11.274) 13.907 5.277 ( 0.000 -5.203 18.078) 18.811 5.453 ( 0.000 -10.032 -5.878) 11.627 5.896 ( 0.000 -2.931 13.321) 13.640 5.997 ( 0.000 -3.939 12.331) 12.945 6.265 ( 0.000 1.184 4.598) 4.748 6.276 ( 0.000 -0.280 -3.453) 3.465 6.798 ( 0.000 3.615 6.478) 7.419 7.028 ( 0.000 -4.906 2.489) 5.501 7.084 ( 0.000 11.640 3.766) 12.234 7.331 ( 0.000 2.979 -4.264) 5.202 7.412 ( 0.000 -1.440 -4.415) 4.644 7.506 ( 0.000 -7.112 -3.440) 7.900 7.611 ( 0.000 1.460 -6.872) 7.026 7.620 ( 0.000 5.247 -7.424) 9.092 7.997 ( 0.000 4.560 -14.408) 15.112 8.092 ( 0.000 -1.393 -9.766) 9.865 9.200 ( 0.000 2.097 -15.496) 15.637 9.314 ( 0.000 -1.366 -8.173) 8.286 9.467 ( 0.000 8.220 -4.524) 9.383 9.783 ( 0.000 -5.785 -5.958) 8.305 10.141 ( 0.000 -5.307 0.285) 5.315 10.192 ( 0.000 -5.655 3.346) 6.571 10.454 ( 0.000 0.839 -6.082) 6.140 10.491 ( 0.000 3.144 -1.901) 3.674 10.717 ( 0.000 9.990 0.233) 9.992 11.076 ( 0.000 -7.280 1.213) 7.380 11.080 ( 0.000 13.092 -3.259) 13.491 11.358 ( 0.000 2.855 0.846) 2.977 12.707 ( 0.000 -1.653 1.297) 2.101 12.731 ( 0.000 -2.880 2.791) 4.011 12.833 ( 0.000 -1.124 4.898) 5.026 12.883 ( 0.000 -2.339 1.614) 2.842 13.868 ( 0.000 19.274 -0.550) 19.282 14.941 ( 0.000 -19.040 -13.601) 23.399 15.377 ( 0.000 3.504 1.544) 3.829 15.593 ( 0.000 -6.050 -9.820) 11.534 17.208 ( 0.000 7.927 -6.809) 10.450 17.488 ( 0.000 -1.509 -16.930) 16.997 18.227 ( 0.000 4.203 0.436) 4.225 18.500 ( 0.000 -6.254 -1.990) 6.563 18.582 ( 0.000 7.814 6.287) 10.029 19.019 ( 0.000 -8.886 14.999) 17.434 20.246 ( 0.000 -5.392 -3.785) 6.588 20.300 ( 0.000 -3.739 2.395) 4.440 21.561 ( 0.000 15.158 -21.518) 26.320 22.067 ( 0.000 -7.709 -16.225) 17.964 22.456 ( 0.000 13.765 30.187) 33.178 23.331 ( 0.000 -23.123 30.075) 37.937 25.422 ( 0.000 0.763 -8.546) 8.580 25.457 ( 0.000 -0.578 -6.401) 6.427 ======================= Grid point 100 (37/90) ======================= q-point: ( 0.11 0.25 0.20) 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 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: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( 3.309 5.990 14.239) 15.798 1.071 ( 6.200 13.015 14.206) 20.239 1.292 ( 4.026 -7.727 12.185) 14.980 1.568 ( 9.758 2.169 13.006) 16.404 1.692 ( 12.910 3.534 17.434) 21.979 1.908 ( 2.387 -11.273 -5.852) 12.924 2.080 ( 1.355 8.878 -2.294) 9.269 2.474 ( 4.000 -5.124 -1.263) 6.622 2.718 ( 15.426 0.455 2.369) 15.613 2.797 ( 17.365 -2.437 5.543) 18.390 3.093 ( 3.407 4.104 -0.910) 5.410 3.126 ( 3.850 9.705 -3.931) 11.156 3.221 ( 12.984 1.699 2.217) 13.281 3.390 ( 7.687 0.598 5.316) 9.365 3.557 ( -1.044 -4.772 0.781) 4.947 3.693 ( -0.800 14.717 1.065) 14.777 3.992 ( 2.700 -12.289 -0.965) 12.620 4.014 ( 7.469 13.329 -1.025) 15.313 4.223 ( 0.453 -2.833 1.958) 3.474 4.428 ( -7.387 -3.976 -14.371) 16.640 4.509 ( -0.392 7.814 10.346) 12.971 4.963 ( -4.882 -8.474 13.370) 16.565 5.240 ( 1.348 -2.525 11.829) 12.170 5.447 ( -1.532 -6.332 -3.083) 7.207 5.885 ( -0.584 0.369 9.908) 9.932 5.969 ( -3.644 -2.756 11.609) 12.475 6.128 ( -8.777 4.766 3.749) 10.668 6.374 ( 5.259 -6.662 -1.647) 8.646 6.756 ( -3.249 4.170 6.594) 8.452 6.979 ( -3.669 -0.667 3.208) 4.919 7.005 ( -8.787 7.569 -2.749) 11.919 7.379 ( -11.867 -1.565 -12.909) 17.605 7.488 ( 3.318 -0.469 -2.590) 4.235 7.541 ( 13.389 -0.025 -2.564) 13.632 7.711 ( 10.653 2.299 -4.373) 11.743 7.791 ( 21.340 -2.063 -0.067) 21.440 7.944 ( -3.383 4.652 -11.000) 12.413 8.062 ( -2.756 -1.292 -8.465) 8.996 9.192 ( -0.748 1.685 -11.842) 11.985 9.285 ( -0.819 -1.565 -5.787) 6.050 9.499 ( 1.655 6.128 -0.318) 6.356 9.814 ( 0.658 -6.319 -5.002) 8.086 10.157 ( -0.990 -1.676 2.036) 2.817 10.205 ( 0.799 -2.603 2.753) 3.872 10.367 ( -11.486 1.186 -0.825) 11.576 10.453 ( -2.039 2.228 -3.680) 4.761 10.590 ( -17.291 5.404 -1.214) 18.156 10.694 ( -1.246 1.679 1.297) 2.460 11.397 ( 11.268 5.968 0.177) 12.752 11.747 ( 29.683 -2.947 -11.454) 31.952 12.616 ( -6.084 1.878 1.716) 6.594 12.708 ( -2.608 -2.086 1.770) 3.779 12.854 ( -0.293 -1.964 3.869) 4.349 12.902 ( 3.081 -2.301 -1.136) 4.010 13.863 ( -0.776 18.269 -0.728) 18.300 14.894 ( -4.817 -18.415 -13.641) 23.418 15.382 ( 0.704 3.973 0.491) 4.065 15.680 ( 8.510 -7.101 -10.922) 15.561 17.158 ( -6.188 6.230 -6.007) 10.639 17.296 ( -17.963 3.768 -9.158) 20.512 18.107 ( -11.094 3.405 7.012) 13.559 18.415 ( -9.775 -2.959 4.200) 11.043 18.606 ( 5.570 3.292 -2.651) 6.992 18.999 ( 1.017 -9.160 10.903) 14.277 20.167 ( -8.542 -2.277 -6.537) 10.995 20.248 ( -5.155 -4.155 2.020) 6.922 21.399 ( -14.671 16.536 -16.830) 27.784 21.953 ( -13.595 -7.570 -24.655) 29.155 22.650 ( 20.465 12.526 35.393) 42.759 23.491 ( 14.710 -21.042 26.470) 36.876 25.361 ( -5.098 1.976 -7.261) 9.089 25.457 ( -1.298 -1.667 -7.213) 7.516 ======================= Grid point 101 (38/90) ======================= q-point: ( 0.22 0.25 0.20) 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 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: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( 6.102 4.619 7.829) 10.948 1.247 ( 11.375 14.901 8.679) 20.658 1.427 ( 9.116 -8.478 4.850) 13.360 1.738 ( 7.991 2.185 6.095) 10.285 1.872 ( 4.017 -0.627 6.870) 7.983 1.968 ( 3.315 -5.623 -2.209) 6.891 2.107 ( 1.437 3.400 -1.012) 3.828 2.547 ( 3.860 -9.780 -4.882) 11.592 3.003 ( 6.160 18.026 -4.501) 19.574 3.036 ( 4.578 6.361 1.649) 8.009 3.219 ( 13.107 -0.447 3.536) 13.583 3.363 ( 20.324 3.490 -1.066) 20.649 3.554 ( 16.617 -3.034 2.869) 17.134 3.578 ( 6.289 -2.760 0.181) 6.871 3.637 ( 15.465 -2.900 7.408) 17.392 3.781 ( 9.006 8.428 -0.098) 12.334 4.038 ( 1.698 -8.623 -0.742) 8.820 4.120 ( 3.532 3.867 3.486) 6.291 4.261 ( 5.634 -2.694 5.329) 8.209 4.295 ( -4.675 -1.779 -9.366) 10.618 4.562 ( 6.296 1.950 2.784) 7.155 4.860 ( -3.544 -6.296 7.504) 10.417 5.326 ( 1.700 -0.246 4.161) 4.501 5.446 ( 6.663 -1.255 2.763) 7.322 5.827 ( -6.098 -0.624 11.462) 12.998 5.897 ( -3.103 0.544 4.276) 5.311 5.961 ( -8.332 5.883 3.150) 10.675 6.418 ( -3.143 -7.436 -6.638) 10.452 6.631 ( -13.490 5.032 -7.325) 16.154 6.773 ( -8.148 -0.833 -1.805) 8.387 6.950 ( -0.529 5.536 6.155) 8.295 7.105 ( -12.114 -0.308 -10.059) 15.749 7.524 ( 1.247 1.031 1.067) 1.938 7.739 ( 5.373 -5.082 0.209) 7.399 7.814 ( -3.987 4.678 -5.634) 8.338 7.935 ( -1.720 1.805 -5.445) 5.988 8.135 ( 20.593 2.471 -2.026) 20.840 8.366 ( 30.972 -6.622 2.326) 31.757 9.168 ( -1.889 2.146 -5.050) 5.803 9.315 ( 3.338 -3.076 -3.473) 5.716 9.521 ( 1.006 2.921 5.079) 5.945 9.760 ( -5.090 -2.977 -2.101) 6.260 9.931 ( -19.745 3.836 8.850) 21.975 10.014 ( -16.613 0.556 7.656) 18.301 10.276 ( 0.550 -1.800 -5.550) 5.861 10.425 ( -0.921 -3.274 -0.394) 3.424 10.484 ( 1.233 5.137 -3.020) 6.086 10.694 ( -0.109 -1.798 4.289) 4.652 11.618 ( 11.089 9.574 -0.765) 14.670 12.159 ( 6.282 -6.359 -11.065) 14.225 12.593 ( 3.391 -3.143 -1.948) 5.017 12.649 ( -1.691 -1.788 -2.676) 3.635 12.885 ( 8.656 2.243 -4.803) 10.150 12.989 ( 6.096 0.608 -5.065) 7.950 13.829 ( -2.983 16.067 -1.407) 16.402 14.756 ( -9.295 -16.621 -14.373) 23.859 15.407 ( 1.850 4.944 -1.177) 5.408 15.896 ( 12.825 -10.419 -13.040) 21.049 16.778 ( -25.778 11.583 4.231) 28.576 17.092 ( -6.108 3.817 -4.378) 8.428 17.906 ( -8.254 1.738 8.451) 11.941 18.226 ( -6.986 -6.733 2.357) 9.985 18.731 ( 5.722 4.893 -8.154) 11.098 19.117 ( 9.716 -10.640 0.677) 14.425 19.912 ( -17.118 4.003 -10.575) 20.516 20.112 ( -8.159 -5.237 1.818) 9.864 21.065 ( -18.284 14.925 -8.248) 25.002 21.571 ( -23.968 -6.114 -19.863) 31.724 23.171 ( 30.878 9.638 26.642) 41.906 23.832 ( 19.225 -15.395 18.902) 31.047 25.234 ( -8.109 3.172 -5.936) 10.538 25.388 ( -6.144 -2.676 -6.842) 9.577 ======================= Grid point 102 (39/90) ======================= q-point: ( 0.33 0.25 0.20) 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 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: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( 10.984 6.319 -0.786) 12.696 1.472 ( 10.683 12.432 8.260) 18.356 1.615 ( 9.542 -8.014 -1.126) 12.512 1.865 ( 3.817 -2.108 -0.010) 4.361 1.887 ( -1.318 0.715 2.980) 3.336 1.990 ( -0.967 0.966 -3.851) 4.087 2.126 ( 0.526 -4.149 -4.133) 5.880 2.620 ( 3.194 -15.545 -0.858) 15.893 3.041 ( 1.300 17.403 -2.868) 17.686 3.172 ( 10.043 12.725 -0.013) 16.211 3.445 ( 9.218 -1.488 -2.632) 9.701 3.598 ( 1.811 4.177 5.122) 6.853 3.680 ( 4.330 -7.087 0.617) 8.328 3.794 ( 6.344 -0.116 -0.581) 6.371 3.891 ( 6.756 -0.998 2.161) 7.163 3.998 ( 5.561 -2.285 -4.459) 7.485 4.119 ( 13.027 -0.409 0.204) 13.035 4.215 ( 3.848 3.758 0.547) 5.406 4.343 ( 13.264 -3.632 -2.488) 13.976 4.459 ( 14.025 -1.541 3.162) 14.459 4.721 ( 7.254 -2.343 -1.382) 7.748 4.866 ( 5.048 -4.929 0.062) 7.056 5.273 ( -4.919 8.914 1.260) 10.259 5.609 ( -2.157 -4.387 -4.695) 6.778 5.743 ( -2.925 -3.641 11.285) 12.214 5.778 ( -7.585 -4.421 4.827) 10.019 5.839 ( 1.707 8.732 -3.172) 9.446 6.233 ( -15.323 -2.497 -11.899) 19.560 6.302 ( -11.656 10.340 -11.884) 19.596 6.752 ( 2.741 -8.890 2.874) 9.737 6.879 ( -5.314 7.229 4.382) 9.985 7.047 ( 3.515 -0.517 1.802) 3.984 7.543 ( 0.799 3.205 3.032) 4.484 7.678 ( -5.894 -0.440 -0.570) 5.938 7.836 ( 1.076 -0.652 5.406) 5.551 7.852 ( -5.024 -1.547 -0.362) 5.270 8.582 ( 22.032 5.258 -1.153) 22.680 8.935 ( 26.017 -9.638 2.117) 27.825 9.118 ( -2.721 2.492 -1.657) 4.044 9.353 ( -1.248 -6.015 -1.202) 6.260 9.496 ( -7.787 3.707 2.080) 8.872 9.622 ( -5.980 2.517 9.052) 11.137 9.683 ( -9.181 -0.017 2.360) 9.480 9.724 ( -4.252 -1.848 2.821) 5.427 10.237 ( -4.017 0.659 0.616) 4.117 10.390 ( -2.979 0.457 6.317) 6.999 10.499 ( -0.552 -0.053 5.693) 5.720 10.667 ( -2.907 -2.714 8.604) 9.479 11.810 ( 8.258 10.505 -2.776) 13.648 12.127 ( -4.094 4.830 -6.673) 9.199 12.553 ( -3.085 -5.953 -3.341) 7.491 12.628 ( -3.192 -9.343 -1.941) 10.062 13.121 ( 9.162 5.230 -5.858) 12.067 13.302 ( 25.674 -0.374 -22.172) 33.925 13.744 ( -5.384 13.036 -2.543) 14.331 14.536 ( -13.408 -14.325 -16.329) 25.527 15.449 ( 2.243 5.550 -2.353) 6.432 16.122 ( 7.931 -8.246 -9.653) 14.970 16.362 ( -14.570 8.514 3.934) 17.328 16.975 ( -5.855 -1.250 0.003) 5.987 17.841 ( 3.360 3.714 2.067) 5.418 18.192 ( 2.975 -8.922 -7.161) 11.820 18.784 ( -1.209 7.428 -13.884) 15.792 19.208 ( -9.073 -10.070 -14.636) 19.949 19.637 ( -2.873 5.847 -5.195) 8.333 19.982 ( -3.430 -7.026 2.809) 8.307 20.733 ( -15.207 11.787 0.804) 19.257 21.085 ( -24.727 -3.222 -10.874) 27.204 23.782 ( 30.847 6.462 15.314) 35.040 24.208 ( 19.219 -9.538 10.630) 23.944 25.043 ( -11.714 3.524 -3.813) 12.813 25.213 ( -11.932 -2.912 -5.086) 13.294 ======================= Grid point 103 (40/90) ======================= q-point: ( 0.44 0.25 0.20) 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 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: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( 10.245 4.795 -3.018) 11.707 1.625 ( 4.222 9.246 6.386) 12.004 1.768 ( 5.016 -6.574 -5.500) 9.931 1.789 ( -6.201 0.536 -2.752) 6.805 1.893 ( -0.772 3.748 -0.058) 3.827 1.976 ( -0.604 3.791 -3.411) 5.135 2.142 ( 1.060 -12.849 -6.304) 14.352 2.657 ( 0.618 -17.042 2.808) 17.283 3.071 ( 1.338 18.010 -0.250) 18.061 3.387 ( 9.607 9.815 -1.346) 13.800 3.568 ( 1.316 0.435 5.249) 5.429 3.600 ( 1.605 -1.828 -1.365) 2.790 3.666 ( -3.413 1.608 1.527) 4.070 3.890 ( 1.841 -1.087 -1.341) 2.524 3.926 ( 1.679 0.591 -4.972) 5.281 3.989 ( -3.178 -3.787 0.018) 4.943 4.324 ( 6.362 0.241 -6.146) 8.849 4.390 ( 7.741 3.728 -5.248) 10.068 4.561 ( 6.320 -8.307 -6.306) 12.195 4.745 ( 11.339 -4.593 -2.051) 12.404 4.843 ( 6.447 2.156 -4.721) 8.276 4.960 ( 2.145 -4.943 -6.850) 8.715 5.131 ( -9.287 10.669 2.539) 14.371 5.496 ( -2.671 0.789 -9.658) 10.051 5.569 ( -8.399 0.555 -1.075) 8.486 5.722 ( 0.342 -4.152 6.227) 7.492 5.817 ( -7.507 -4.065 0.695) 8.565 6.031 ( -4.995 5.530 -9.969) 12.446 6.307 ( 8.147 5.605 1.193) 9.960 6.782 ( -3.777 10.865 5.257) 12.648 6.816 ( 1.897 -10.761 0.549) 10.941 7.130 ( 3.642 -0.920 2.441) 4.480 7.526 ( -3.112 1.534 5.088) 6.158 7.624 ( 1.973 2.861 6.058) 6.984 7.744 ( -5.273 -3.396 6.027) 8.698 7.836 ( -0.582 -1.098 7.434) 7.537 8.910 ( 9.702 3.529 -0.643) 10.344 9.068 ( -1.033 3.288 -3.073) 4.618 9.243 ( -2.628 -7.473 6.484) 10.237 9.333 ( 2.700 -5.391 -2.785) 6.641 9.391 ( 3.272 1.897 2.610) 4.595 9.503 ( -1.942 -1.321 -0.728) 2.459 9.615 ( 1.683 0.426 1.711) 2.438 9.717 ( -4.018 -3.965 0.058) 5.646 10.193 ( 1.365 5.094 9.669) 11.014 10.302 ( -5.700 5.646 11.656) 14.150 10.494 ( 1.176 -5.240 12.438) 13.548 10.588 ( -4.406 -4.126 12.766) 14.121 11.924 ( 3.216 10.204 -5.884) 12.210 12.068 ( -1.710 11.100 -4.973) 12.282 12.521 ( -0.041 -9.440 -5.155) 10.756 12.561 ( -2.935 -9.253 -4.490) 10.696 13.300 ( 8.096 10.087 -7.623) 15.014 13.567 ( -4.509 13.009 -4.946) 14.629 13.832 ( 20.394 -7.643 -19.208) 29.040 14.236 ( -17.379 -12.011 -19.747) 28.918 15.485 ( 1.186 5.394 -2.710) 6.152 16.084 ( -4.883 22.850 5.469) 23.997 16.312 ( 2.409 -23.760 -8.970) 25.511 16.885 ( -2.710 -4.875 3.924) 6.820 18.041 ( 14.108 0.699 -12.376) 18.779 18.289 ( 5.008 -9.690 -14.864) 18.436 18.654 ( -12.211 9.618 -15.438) 21.908 18.876 ( -13.224 6.272 -18.635) 23.696 19.717 ( 3.505 -8.201 -1.303) 9.014 20.042 ( 8.398 -11.415 -2.740) 14.434 20.491 ( -9.624 11.427 6.723) 16.383 20.683 ( -13.503 3.433 -0.587) 13.945 24.330 ( 24.574 3.240 5.535) 25.397 24.565 ( 16.866 -5.714 3.000) 18.058 24.771 ( -16.388 3.642 0.236) 16.789 24.936 ( -15.492 -2.420 -1.077) 15.717 ======================= Grid point 108 (41/90) ======================= q-point: ( 0.00 -0.50 0.20) 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 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| 1.162 ( 0.000 -1.359 17.042) 17.096 1.162 ( 0.000 1.359 17.042) 17.096 1.214 ( 0.000 -1.883 17.764) 17.863 1.214 ( 0.000 1.883 17.764) 17.863 1.694 ( 0.000 -7.726 6.269) 9.949 1.694 ( 0.000 7.726 6.269) 9.949 2.294 ( 0.000 -10.040 -4.055) 10.828 2.294 ( 0.000 10.040 -4.055) 10.828 2.510 ( 0.000 -1.716 8.261) 8.437 2.510 ( 0.000 1.716 8.261) 8.437 3.122 ( 0.000 -3.241 1.549) 3.592 3.122 ( 0.000 3.241 1.549) 3.592 3.351 ( 0.000 -11.399 -1.722) 11.528 3.351 ( 0.000 11.399 -1.722) 11.528 3.571 ( 0.000 -19.149 -5.251) 19.856 3.571 ( 0.000 19.149 -5.251) 19.856 4.064 ( 0.000 -11.026 3.866) 11.685 4.064 ( 0.000 11.026 3.866) 11.685 4.298 ( 0.000 -13.660 -14.569) 19.971 4.298 ( 0.000 13.660 -14.569) 19.971 4.843 ( 0.000 -10.374 13.375) 16.927 4.843 ( 0.000 10.374 13.375) 16.927 5.222 ( 0.000 -4.350 10.445) 11.314 5.222 ( 0.000 4.350 10.445) 11.314 5.917 ( 0.000 -2.915 8.622) 9.102 5.917 ( 0.000 2.915 8.622) 9.102 6.266 ( 0.000 -0.251 1.258) 1.283 6.266 ( 0.000 0.251 1.258) 1.283 6.910 ( 0.000 -5.829 3.558) 6.829 6.910 ( 0.000 5.829 3.558) 6.829 7.313 ( 0.000 -8.911 1.134) 8.983 7.313 ( 0.000 8.911 1.134) 8.983 7.389 ( 0.000 -0.627 -5.469) 5.505 7.389 ( 0.000 0.627 -5.469) 5.505 7.652 ( 0.000 -1.432 -7.039) 7.184 7.652 ( 0.000 1.432 -7.039) 7.184 8.069 ( 0.000 -1.795 -12.240) 12.371 8.069 ( 0.000 1.795 -12.240) 12.371 9.263 ( 0.000 -3.271 -12.590) 13.008 9.263 ( 0.000 3.271 -12.590) 13.008 9.630 ( 0.000 -7.295 -3.468) 8.078 9.630 ( 0.000 7.295 -3.468) 8.078 10.107 ( 0.000 -1.650 0.129) 1.655 10.107 ( 0.000 1.650 0.129) 1.655 10.494 ( 0.000 -1.978 -5.529) 5.872 10.494 ( 0.000 1.978 -5.529) 5.872 10.915 ( 0.000 -8.079 2.520) 8.463 10.915 ( 0.000 8.079 2.520) 8.463 11.322 ( 0.000 -7.026 -2.953) 7.622 11.322 ( 0.000 7.026 -2.953) 7.622 12.685 ( 0.000 -0.444 1.402) 1.470 12.685 ( 0.000 0.444 1.402) 1.470 12.837 ( 0.000 -1.439 4.116) 4.361 12.837 ( 0.000 1.439 4.116) 4.361 14.404 ( 0.000 -28.023 -8.648) 29.327 14.404 ( 0.000 28.023 -8.648) 29.327 15.470 ( 0.000 -5.075 -0.632) 5.114 15.470 ( 0.000 5.075 -0.632) 5.114 17.391 ( 0.000 -7.529 -13.095) 15.106 17.391 ( 0.000 7.529 -13.095) 15.106 18.350 ( 0.000 -6.909 -0.478) 6.926 18.350 ( 0.000 6.909 -0.478) 6.926 18.790 ( 0.000 -11.001 8.980) 14.201 18.790 ( 0.000 11.001 8.980) 14.201 20.222 ( 0.000 -2.443 1.370) 2.801 20.222 ( 0.000 2.443 1.370) 2.801 21.860 ( 0.000 -11.877 -21.517) 24.578 21.860 ( 0.000 11.877 -21.517) 24.578 22.833 ( 0.000 -21.208 34.528) 40.521 22.833 ( 0.000 21.208 34.528) 40.521 25.441 ( 0.000 -0.881 -7.363) 7.415 25.441 ( 0.000 0.881 -7.363) 7.415 ======================= Grid point 110 (42/90) ======================= q-point: ( 0.11 -0.50 0.20) 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 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: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( 1.683 -7.580 13.745) 15.786 1.093 ( 1.683 7.580 13.745) 15.786 1.421 ( 10.311 -14.327 8.857) 19.750 1.421 ( 10.311 14.327 8.857) 19.750 1.772 ( 7.061 -3.388 7.732) 11.006 1.772 ( 7.061 3.388 7.732) 11.006 2.300 ( -0.249 -10.112 0.537) 10.130 2.300 ( -0.249 10.112 0.537) 10.130 2.735 ( 22.263 -3.766 4.257) 22.977 2.735 ( 22.263 3.766 4.257) 22.977 3.196 ( 7.265 -4.483 1.523) 8.671 3.196 ( 7.265 4.483 1.523) 8.671 3.363 ( 1.312 -10.623 -1.959) 10.882 3.363 ( 1.312 10.623 -1.959) 10.882 3.627 ( 5.729 -17.867 -2.663) 18.951 3.627 ( 5.729 17.867 -2.663) 18.951 4.020 ( -3.779 -13.229 2.356) 13.958 4.020 ( -3.779 13.229 2.356) 13.958 4.289 ( -0.863 -9.587 -11.165) 14.742 4.289 ( -0.863 9.587 -11.165) 14.742 4.748 ( -6.061 -12.034 12.480) 18.366 4.748 ( -6.061 12.034 12.480) 18.366 5.281 ( 4.372 -6.587 8.479) 11.593 5.281 ( 4.372 6.587 8.479) 11.593 5.912 ( -1.299 -1.887 8.430) 8.736 5.912 ( -1.299 1.887 8.430) 8.736 6.238 ( -2.200 -5.634 0.523) 6.071 6.238 ( -2.200 5.634 0.523) 6.071 6.874 ( -3.592 -5.756 2.292) 7.162 6.874 ( -3.592 5.756 2.292) 7.162 7.232 ( -7.983 -9.935 -4.528) 13.526 7.232 ( -7.983 9.935 -4.528) 13.526 7.526 ( 6.376 -2.166 -3.114) 7.420 7.526 ( 6.376 2.166 -3.114) 7.420 7.750 ( 15.309 -1.911 -3.943) 15.924 7.750 ( 15.309 1.911 -3.943) 15.924 8.027 ( -3.577 -2.452 -9.885) 10.794 8.027 ( -3.577 2.452 -9.885) 10.794 9.239 ( -1.240 -2.508 -8.804) 9.238 9.239 ( -1.240 2.508 -8.804) 9.238 9.645 ( 0.205 -7.797 -0.626) 7.824 9.645 ( 0.205 7.797 -0.626) 7.824 10.154 ( 3.200 -1.303 0.445) 3.484 10.154 ( 3.200 1.303 0.445) 3.484 10.439 ( -8.544 -3.375 -2.489) 9.517 10.439 ( -8.544 3.375 -2.489) 9.517 10.685 ( -10.854 -2.754 -0.932) 11.237 10.685 ( -10.854 2.754 -0.932) 11.237 11.593 ( 18.332 -10.334 -4.072) 21.435 11.593 ( 18.332 10.334 -4.072) 21.435 12.666 ( -2.059 -2.254 1.502) 3.402 12.666 ( -2.059 2.254 1.502) 3.402 12.846 ( 1.817 -1.656 0.860) 2.604 12.846 ( 1.817 1.656 0.860) 2.604 14.374 ( -3.080 -26.963 -8.578) 28.461 14.374 ( -3.080 26.963 -8.578) 28.461 15.514 ( 4.249 -7.572 -2.209) 8.959 15.514 ( 4.249 7.572 -2.209) 8.959 17.292 ( -9.803 -4.488 -10.422) 14.996 17.292 ( -9.803 4.488 -10.422) 14.996 18.252 ( -10.955 -9.297 6.632) 15.825 18.252 ( -10.955 9.297 6.632) 15.825 18.775 ( 2.174 -10.345 2.391) 10.838 18.775 ( 2.174 10.345 2.391) 10.838 20.173 ( -5.480 -2.505 -0.582) 6.053 20.173 ( -5.480 2.505 -0.582) 6.053 21.730 ( -13.553 -13.194 -21.966) 28.987 21.730 ( -13.553 13.194 -21.966) 28.987 23.016 ( 18.062 -20.855 32.953) 42.977 23.016 ( 18.062 20.855 32.953) 42.977 25.411 ( -3.136 -2.447 -7.108) 8.145 25.411 ( -3.136 2.447 -7.108) 8.145 ======================= Grid point 112 (43/90) ======================= q-point: ( 0.22 -0.50 0.20) 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 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: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( 8.858 -9.135 4.721) 13.572 1.207 ( 8.858 9.135 4.721) 13.572 1.588 ( 7.636 -13.193 3.045) 15.545 1.588 ( 7.636 13.193 3.045) 15.545 1.904 ( 5.413 -2.392 3.583) 6.918 1.904 ( 5.413 2.392 3.583) 6.918 2.282 ( -1.335 -12.130 2.408) 12.438 2.282 ( -1.335 12.130 2.408) 12.438 3.181 ( 15.301 -3.888 -1.211) 15.834 3.181 ( 15.301 3.888 -1.211) 15.834 3.389 ( 4.109 -12.238 -2.003) 13.064 3.389 ( 4.109 12.238 -2.003) 13.064 3.447 ( 19.528 -4.099 4.027) 20.356 3.447 ( 19.528 4.099 4.027) 20.356 3.754 ( 3.845 -12.819 2.861) 13.686 3.754 ( 3.845 12.819 2.861) 13.686 4.009 ( 6.660 -10.892 -0.177) 12.768 4.009 ( 6.660 10.892 -0.177) 12.768 4.273 ( -0.325 -2.963 -4.326) 5.254 4.273 ( -0.325 2.963 -4.326) 5.254 4.692 ( 0.651 -8.526 5.807) 10.336 4.692 ( 0.651 8.526 5.807) 10.336 5.378 ( 5.803 -4.021 5.483) 8.940 5.378 ( 5.803 4.021 5.483) 8.940 5.834 ( -6.585 -1.936 8.421) 10.864 5.834 ( -6.585 1.936 8.421) 10.864 6.203 ( -2.175 -11.700 -2.957) 12.262 6.203 ( -2.175 11.700 -2.957) 12.262 6.733 ( -11.679 -3.344 -7.757) 14.414 6.733 ( -11.679 3.344 -7.757) 14.414 7.060 ( -6.489 -4.234 -0.019) 7.748 7.060 ( -6.489 4.234 -0.019) 7.748 7.608 ( 2.931 -6.032 0.102) 6.707 7.608 ( 2.931 6.032 0.102) 6.707 7.911 ( -4.249 -3.642 -6.553) 8.618 7.911 ( -4.249 3.642 -6.553) 8.618 8.229 ( 26.426 -5.708 0.191) 27.036 8.229 ( 26.426 5.708 0.191) 27.036 9.234 ( 0.195 -3.880 -3.913) 5.514 9.234 ( 0.195 3.880 -3.913) 5.514 9.622 ( -1.733 -6.537 3.849) 7.781 9.622 ( -1.733 6.537 3.849) 7.781 10.016 ( -18.316 -1.139 7.629) 19.874 10.016 ( -18.316 1.139 7.629) 19.874 10.317 ( 0.255 -5.179 -4.774) 7.048 10.317 ( 0.255 5.179 -4.774) 7.048 10.613 ( -0.676 -5.530 0.267) 5.578 10.613 ( -0.676 5.530 0.267) 5.578 11.900 ( 12.386 -15.111 -5.212) 20.222 11.900 ( 12.386 15.111 -5.212) 20.222 12.598 ( -4.946 -2.493 0.808) 5.597 12.598 ( -4.946 2.493 0.808) 5.597 12.956 ( 10.422 -3.292 -7.333) 13.162 12.956 ( 10.422 3.292 -7.333) 13.162 14.284 ( -6.291 -24.302 -8.894) 26.632 14.284 ( -6.291 24.302 -8.894) 26.632 15.619 ( 6.097 -13.103 -5.528) 15.474 15.619 ( 6.097 13.103 -5.528) 15.474 17.038 ( -15.249 -9.319 -1.937) 17.976 17.038 ( -15.249 9.319 -1.937) 17.976 18.030 ( -8.296 -9.516 6.752) 14.317 18.030 ( -8.296 9.516 6.752) 14.317 18.889 ( 7.439 -9.499 -6.657) 13.779 18.889 ( 7.439 9.499 -6.657) 13.779 20.007 ( -11.018 -4.645 -3.207) 12.380 20.007 ( -11.018 4.645 -3.207) 12.380 21.373 ( -21.523 -12.334 -15.037) 29.009 21.373 ( -21.523 12.334 -15.037) 29.009 23.464 ( 26.137 -16.809 23.852) 39.174 23.464 ( 26.137 16.809 23.852) 39.174 25.313 ( -7.081 -3.921 -6.231) 10.215 25.313 ( -7.081 3.921 -6.231) 10.215 ======================= Grid point 114 (44/90) ======================= q-point: ( 0.33 -0.50 0.20) 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 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: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( 10.950 -10.196 -2.842) 15.229 1.406 ( 10.950 10.196 -2.842) 15.229 1.719 ( 5.596 -8.579 1.522) 10.355 1.719 ( 5.596 8.579 1.522) 10.355 1.965 ( 0.606 -3.123 -1.951) 3.732 1.965 ( 0.606 3.123 -1.951) 3.732 2.253 ( -1.431 -15.086 3.345) 15.518 2.253 ( -1.431 15.086 3.345) 15.518 3.336 ( 4.686 -9.117 -0.014) 10.251 3.336 ( 4.686 9.117 -0.014) 10.251 3.494 ( 8.057 -11.675 -3.491) 14.609 3.494 ( 8.057 11.675 -3.491) 14.609 3.738 ( -2.257 -7.715 4.010) 8.983 3.738 ( -2.257 7.715 4.010) 8.983 3.853 ( 13.031 -0.380 0.522) 13.047 3.853 ( 13.031 0.380 0.522) 13.047 4.244 ( 11.764 -6.300 -3.566) 13.813 4.244 ( 11.764 6.300 -3.566) 13.813 4.326 ( 9.026 -7.320 1.307) 11.695 4.326 ( 9.026 7.320 1.307) 11.695 4.766 ( 6.464 -4.513 -2.041) 8.144 4.766 ( 6.464 4.513 -2.041) 8.144 5.467 ( 0.894 -8.447 1.911) 8.706 5.467 ( 0.894 8.447 1.911) 8.706 5.691 ( -7.424 -1.486 5.686) 9.469 5.691 ( -7.424 1.486 5.686) 9.469 6.099 ( -7.958 -10.402 -9.202) 16.007 6.099 ( -7.958 10.402 -9.202) 16.007 6.531 ( -5.518 -10.710 -6.123) 13.514 6.531 ( -5.518 10.710 -6.123) 13.514 7.010 ( 0.321 -3.722 4.994) 6.237 7.010 ( 0.321 3.722 4.994) 6.237 7.624 ( -1.264 -3.966 1.801) 4.535 7.624 ( -1.264 3.966 1.801) 4.535 7.831 ( -3.589 -0.579 1.100) 3.798 7.831 ( -3.589 0.579 1.100) 3.798 8.734 ( 23.571 -8.552 0.647) 25.083 8.734 ( 23.571 8.552 0.647) 25.083 9.210 ( -2.830 -6.089 -1.157) 6.813 9.210 ( -2.830 6.089 -1.157) 6.813 9.592 ( -4.859 -4.306 2.451) 6.940 9.592 ( -4.859 4.306 2.451) 6.940 9.694 ( -9.101 -0.792 6.109) 10.990 9.694 ( -9.101 0.792 6.109) 10.990 10.310 ( -1.020 -5.234 3.768) 6.529 10.310 ( -1.020 5.234 3.768) 6.529 10.578 ( -3.677 -5.091 6.653) 9.148 10.578 ( -3.677 5.091 6.653) 9.148 12.079 ( 6.939 -11.307 -5.687) 14.434 12.079 ( 6.939 11.307 -5.687) 14.434 12.484 ( -6.469 -3.402 -1.548) 7.470 12.484 ( -6.469 3.402 -1.548) 7.470 13.239 ( 17.476 -4.988 -13.472) 22.623 13.239 ( 17.476 4.988 -13.472) 22.623 14.128 ( -9.910 -20.852 -10.018) 25.167 14.128 ( -9.910 20.852 -10.018) 25.167 15.731 ( 4.963 -18.590 -7.907) 20.802 15.731 ( 4.963 18.590 -7.907) 20.802 16.757 ( -12.487 -17.751 5.602) 22.414 16.757 ( -12.487 17.751 5.602) 22.414 17.986 ( 3.510 -9.220 -3.741) 10.551 17.986 ( 3.510 9.220 -3.741) 10.551 18.976 ( -0.760 -10.296 -13.977) 17.376 18.976 ( -0.760 10.296 -13.977) 17.376 19.807 ( -7.191 -8.821 -3.874) 12.022 19.807 ( -7.191 8.821 -3.874) 12.022 20.962 ( -19.324 -8.499 -4.259) 21.536 20.962 ( -19.324 8.499 -4.259) 21.536 23.975 ( 25.670 -10.928 13.188) 30.860 23.975 ( 25.670 10.928 13.188) 30.860 25.131 ( -11.780 -4.325 -4.243) 13.247 25.131 ( -11.780 4.325 -4.243) 13.247 ======================= Grid point 116 (45/90) ======================= q-point: ( 0.44 -0.50 0.20) 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 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: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( 6.358 -7.941 -5.640) 11.632 1.590 ( 6.358 7.941 -5.640) 11.632 1.808 ( 3.929 -3.500 -1.847) 5.576 1.808 ( 3.929 3.500 -1.847) 5.576 1.924 ( -4.094 -4.383 -4.551) 7.529 1.924 ( -4.094 4.383 -4.551) 7.529 2.237 ( -0.251 -18.025 5.764) 18.925 2.237 ( -0.251 18.025 5.764) 18.925 3.427 ( 4.365 -10.464 0.830) 11.368 3.427 ( 4.365 10.464 0.830) 11.368 3.585 ( -1.548 -4.139 3.689) 5.757 3.585 ( -1.548 4.139 3.689) 5.757 3.747 ( 4.909 -8.227 -4.799) 10.715 3.747 ( 4.909 8.227 -4.799) 10.715 3.937 ( -1.169 -0.425 0.405) 1.309 3.937 ( -1.169 0.425 0.405) 1.309 4.395 ( 4.968 -6.236 -5.338) 9.595 4.395 ( 4.968 6.236 -5.338) 9.595 4.547 ( 7.170 -10.203 -4.262) 13.179 4.547 ( 7.170 10.203 -4.262) 13.179 4.906 ( 6.382 -2.542 -11.072) 13.030 4.906 ( 6.382 2.542 -11.072) 13.030 5.384 ( -6.249 -11.746 3.348) 13.720 5.384 ( -6.249 11.746 3.348) 13.720 5.560 ( -4.788 -6.402 3.163) 8.598 5.560 ( -4.788 6.402 3.163) 8.598 5.991 ( -2.654 -9.247 -7.414) 12.146 5.991 ( -2.654 9.247 -7.414) 12.146 6.524 ( 2.337 -13.129 -2.014) 13.486 6.524 ( 2.337 13.129 -2.014) 13.486 7.029 ( 0.757 -8.535 3.932) 9.427 7.029 ( 0.757 8.535 3.932) 9.427 7.587 ( -1.564 -4.104 6.463) 7.814 7.587 ( -1.564 4.104 6.463) 7.814 7.775 ( -1.851 -4.114 5.797) 7.345 7.775 ( -1.851 4.114 5.797) 7.345 9.040 ( 4.911 -8.307 3.171) 10.158 9.040 ( 4.911 8.307 3.171) 10.158 9.183 ( 1.594 -6.383 -3.109) 7.277 9.183 ( 1.594 6.383 -3.109) 7.277 9.485 ( 1.236 -2.996 1.882) 3.747 9.485 ( 1.236 2.996 1.882) 3.747 9.622 ( -5.150 -2.765 0.038) 5.845 9.622 ( -5.150 2.765 0.038) 5.845 10.328 ( 3.787 -6.115 12.061) 14.044 10.328 ( 3.787 6.115 12.061) 14.044 10.469 ( -6.780 -5.802 11.930) 14.899 10.469 ( -6.780 5.802 11.930) 14.899 12.196 ( 5.055 -10.859 -6.085) 13.435 12.196 ( 5.055 10.859 -6.085) 13.435 12.362 ( -5.461 -7.246 -3.995) 9.914 12.362 ( -5.461 7.246 -3.995) 9.914 13.583 ( 16.901 -13.517 -14.735) 26.181 13.583 ( 16.901 13.517 -14.735) 26.181 13.899 ( -13.448 -16.168 -11.350) 23.897 13.899 ( -13.448 16.168 -11.350) 23.897 15.799 ( 1.872 -21.395 -8.395) 23.059 15.799 ( 1.872 21.395 -8.395) 23.059 16.587 ( -4.597 -21.030 8.089) 22.996 16.587 ( -4.597 21.030 8.089) 22.996 18.114 ( 6.807 -6.102 -14.354) 17.018 18.114 ( 6.807 6.102 -14.354) 17.018 18.855 ( -7.842 -7.405 -15.217) 18.652 18.855 ( -7.842 7.405 -15.217) 18.652 19.767 ( 1.159 -11.054 -6.522) 12.886 19.767 ( 1.159 11.054 -6.522) 12.886 20.677 ( -8.619 -4.594 5.045) 10.993 20.677 ( -8.619 4.594 5.045) 10.993 24.431 ( 20.291 -5.968 3.898) 21.507 24.431 ( 20.291 5.968 3.898) 21.507 24.861 ( -15.320 -4.311 0.054) 15.915 24.861 ( -15.320 4.311 0.054) 15.915 ======================= Grid point 135 (46/90) ======================= q-point: ( 0.00 0.00 0.30) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( 0.000 0.000 12.170) 12.170 1.296 ( 0.000 0.000 12.821) 12.821 1.610 ( 0.000 0.000 11.280) 11.280 1.733 ( 0.000 0.000 19.237) 19.237 1.885 ( 0.000 0.000 12.976) 12.976 1.938 ( 0.000 0.000 0.115) 0.115 1.998 ( 0.000 0.000 -3.459) 3.459 2.154 ( 0.000 0.000 -16.677) 16.677 2.417 ( 0.000 0.000 -5.785) 5.785 2.930 ( 0.000 0.000 5.934) 5.934 3.002 ( 0.000 0.000 1.491) 1.491 3.187 ( 0.000 0.000 15.425) 15.425 3.188 ( 0.000 0.000 9.330) 9.330 3.411 ( 0.000 0.000 -0.928) 0.928 3.630 ( 0.000 0.000 9.126) 9.126 3.687 ( 0.000 0.000 -3.331) 3.331 3.711 ( 0.000 0.000 7.152) 7.152 4.111 ( 0.000 0.000 -4.168) 4.168 4.222 ( 0.000 0.000 -14.474) 14.474 4.232 ( 0.000 0.000 3.776) 3.776 4.662 ( 0.000 0.000 10.834) 10.834 5.312 ( 0.000 0.000 -10.798) 10.798 5.339 ( 0.000 0.000 14.825) 14.825 5.714 ( 0.000 0.000 18.395) 18.395 6.216 ( 0.000 0.000 -0.676) 0.676 6.267 ( 0.000 0.000 9.547) 9.547 6.353 ( 0.000 0.000 10.736) 10.736 6.367 ( 0.000 0.000 15.712) 15.712 6.869 ( 0.000 0.000 -2.398) 2.398 7.046 ( 0.000 0.000 8.819) 8.819 7.059 ( 0.000 0.000 -9.240) 9.240 7.210 ( 0.000 0.000 -0.822) 0.822 7.263 ( 0.000 0.000 -12.102) 12.102 7.342 ( 0.000 0.000 -8.004) 8.004 7.585 ( 0.000 0.000 -17.907) 17.907 7.610 ( 0.000 0.000 12.789) 12.789 7.645 ( 0.000 0.000 1.614) 1.614 7.882 ( 0.000 0.000 -13.119) 13.119 8.798 ( 0.000 0.000 -20.821) 20.821 9.122 ( 0.000 0.000 -13.832) 13.832 9.316 ( 0.000 0.000 -0.713) 0.713 9.686 ( 0.000 0.000 -7.505) 7.505 10.284 ( 0.000 0.000 -4.793) 4.793 10.284 ( 0.000 0.000 -0.732) 0.732 10.465 ( 0.000 0.000 6.541) 6.541 10.505 ( 0.000 0.000 9.239) 9.239 10.550 ( 0.000 0.000 1.089) 1.089 10.908 ( 0.000 0.000 -0.170) 0.170 11.203 ( 0.000 0.000 -0.958) 0.958 11.247 ( 0.000 0.000 -4.396) 4.396 12.736 ( 0.000 0.000 -1.230) 1.230 12.786 ( 0.000 0.000 0.288) 0.288 12.916 ( 0.000 0.000 0.409) 0.409 12.938 ( 0.000 0.000 3.044) 3.044 13.762 ( 0.000 0.000 6.962) 6.962 14.837 ( 0.000 0.000 -16.781) 16.781 15.343 ( 0.000 0.000 -0.015) 0.015 15.416 ( 0.000 0.000 -8.558) 8.558 17.037 ( 0.000 0.000 -3.524) 3.524 17.215 ( 0.000 0.000 -11.009) 11.009 18.201 ( 0.000 0.000 1.728) 1.728 18.511 ( 0.000 0.000 -3.599) 3.599 18.686 ( 0.000 0.000 12.473) 12.473 19.454 ( 0.000 0.000 16.886) 16.886 20.094 ( 0.000 0.000 -16.039) 16.039 20.398 ( 0.000 0.000 2.991) 2.991 21.014 ( 0.000 0.000 -14.882) 14.882 21.547 ( 0.000 0.000 -34.061) 34.061 23.117 ( 0.000 0.000 40.704) 40.704 24.056 ( 0.000 0.000 21.066) 21.066 25.184 ( 0.000 0.000 -13.758) 13.758 25.312 ( 0.000 0.000 -9.148) 9.148 ======================= Grid point 136 (47/90) ======================= q-point: ( 0.11 0.00 0.30) 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 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: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( 7.401 0.000 11.956) 14.062 1.277 ( -1.971 0.000 11.288) 11.459 1.631 ( 2.170 0.000 9.072) 9.328 1.731 ( -0.592 0.000 14.297) 14.309 1.957 ( 2.059 0.000 -0.993) 2.286 1.980 ( 8.068 0.000 10.889) 13.552 1.999 ( -0.451 0.000 -3.778) 3.805 2.182 ( 1.398 0.000 -19.308) 19.358 2.556 ( 12.381 0.000 -1.174) 12.437 3.007 ( 9.634 0.000 5.634) 11.160 3.081 ( 3.704 0.000 2.766) 4.623 3.280 ( 8.998 0.000 14.508) 17.072 3.345 ( 9.765 0.000 5.597) 11.255 3.375 ( 9.405 0.000 2.438) 9.716 3.576 ( -3.449 0.000 1.805) 3.892 3.747 ( 7.738 0.000 9.299) 12.097 3.899 ( 10.780 0.000 1.284) 10.856 4.105 ( 0.086 0.000 -8.242) 8.243 4.226 ( 0.169 0.000 -7.683) 7.685 4.308 ( 7.360 0.000 6.114) 9.569 4.608 ( -4.366 0.000 9.182) 10.167 5.270 ( -4.179 0.000 -11.284) 12.033 5.311 ( -3.558 0.000 11.579) 12.114 5.572 ( -10.084 0.000 14.854) 17.953 6.066 ( -10.956 0.000 4.744) 11.939 6.247 ( -2.200 0.000 11.175) 11.390 6.280 ( -6.746 0.000 14.501) 15.993 6.406 ( -1.687 0.000 -1.638) 2.352 6.841 ( -19.639 0.000 -8.493) 21.396 6.860 ( 0.194 0.000 -1.510) 1.523 6.924 ( -10.677 0.000 -5.163) 11.860 7.099 ( -5.354 0.000 -4.609) 7.065 7.404 ( 14.760 0.000 -1.402) 14.826 7.574 ( 12.115 0.000 -3.100) 12.506 7.605 ( 2.079 0.000 -13.762) 13.918 7.632 ( 3.478 0.000 0.614) 3.531 7.890 ( 3.535 0.000 -8.798) 9.482 7.968 ( 27.039 0.000 10.338) 28.948 8.870 ( 6.475 0.000 -17.196) 18.374 9.145 ( 2.855 0.000 -10.769) 11.141 9.407 ( 8.125 0.000 0.294) 8.130 9.745 ( 3.597 0.000 -5.307) 6.411 10.188 ( -5.046 0.000 -2.777) 5.759 10.272 ( -1.443 0.000 -5.195) 5.392 10.352 ( -11.242 0.000 5.825) 12.661 10.512 ( -16.077 0.000 1.697) 16.166 10.530 ( 3.347 0.000 7.613) 8.317 10.728 ( 1.934 0.000 3.909) 4.361 11.339 ( 8.341 0.000 -2.185) 8.623 11.549 ( 23.500 0.000 -7.199) 24.578 12.627 ( -8.906 0.000 0.732) 8.936 12.740 ( -4.589 0.000 -0.573) 4.625 12.922 ( 0.773 0.000 0.296) 0.828 12.947 ( -0.494 0.000 1.809) 1.875 13.750 ( -1.393 0.000 5.874) 6.037 14.770 ( -6.677 0.000 -16.789) 18.068 15.357 ( 1.323 0.000 -0.227) 1.343 15.485 ( 7.093 0.000 -9.796) 12.094 17.014 ( -2.263 0.000 -3.358) 4.049 17.087 ( -13.151 0.000 -7.132) 14.960 18.183 ( -3.577 0.000 4.682) 5.892 18.530 ( -12.502 0.000 9.428) 15.658 18.534 ( 1.857 0.000 -3.922) 4.340 19.417 ( -2.458 0.000 15.979) 16.166 19.911 ( -17.724 0.000 -18.403) 25.550 20.368 ( -3.582 0.000 2.990) 4.666 20.927 ( -7.956 0.000 -11.794) 14.227 21.439 ( -10.610 0.000 -31.613) 33.346 23.263 ( 14.103 0.000 36.336) 38.977 24.135 ( 7.312 0.000 18.480) 19.875 25.144 ( -3.864 0.000 -12.041) 12.645 25.303 ( -1.404 0.000 -9.995) 10.093 ======================= Grid point 137 (48/90) ======================= q-point: ( 0.22 0.00 0.30) 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 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: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( -3.531 0.000 9.102) 9.763 1.299 ( 12.360 0.000 10.829) 16.433 1.691 ( 3.822 0.000 5.094) 6.369 1.740 ( 2.216 0.000 6.075) 6.466 1.949 ( -5.160 0.000 -6.599) 8.377 2.023 ( 4.661 0.000 -2.499) 5.289 2.086 ( 0.277 0.000 5.482) 5.489 2.256 ( 8.171 0.000 -17.745) 19.536 2.745 ( 6.969 0.000 2.775) 7.501 3.073 ( -0.862 0.000 2.692) 2.827 3.310 ( 16.774 0.000 3.824) 17.204 3.480 ( 9.062 0.000 7.142) 11.538 3.580 ( 5.528 0.000 3.797) 6.706 3.581 ( 15.463 0.000 1.563) 15.542 3.737 ( 15.181 0.000 6.310) 16.440 3.876 ( 8.279 0.000 3.293) 8.910 4.077 ( 6.649 0.000 1.519) 6.821 4.146 ( 4.264 0.000 -4.444) 6.159 4.237 ( 2.618 0.000 1.532) 3.034 4.444 ( 3.008 0.000 12.238) 12.602 4.603 ( 7.836 0.000 0.497) 7.851 5.125 ( -12.174 0.000 8.968) 15.121 5.164 ( -6.280 0.000 -10.549) 12.277 5.571 ( 9.750 0.000 4.852) 10.891 5.804 ( -17.088 0.000 -0.521) 17.096 6.147 ( -5.633 0.000 13.809) 14.914 6.187 ( -4.876 0.000 11.137) 12.158 6.192 ( -18.584 0.000 -11.844) 22.038 6.363 ( -23.774 0.000 -15.860) 28.579 6.864 ( 2.181 0.000 -0.344) 2.208 6.888 ( 2.590 0.000 -0.594) 2.658 7.015 ( -3.944 0.000 0.887) 4.043 7.527 ( 0.540 0.000 -0.308) 0.622 7.631 ( 1.327 0.000 -7.539) 7.655 7.781 ( 8.088 0.000 -2.108) 8.358 7.788 ( 5.529 0.000 -6.376) 8.439 8.091 ( 20.746 0.000 2.175) 20.860 8.572 ( 31.646 0.000 7.091) 32.431 9.002 ( 5.873 0.000 -9.106) 10.836 9.232 ( 5.727 0.000 -7.420) 9.373 9.592 ( 10.335 0.000 5.550) 11.731 9.699 ( -8.264 0.000 1.929) 8.486 10.079 ( -15.875 0.000 3.847) 16.334 10.085 ( -18.249 0.000 -0.809) 18.267 10.228 ( -2.928 0.000 -6.907) 7.502 10.262 ( 5.860 0.000 -1.223) 5.986 10.621 ( 5.585 0.000 8.503) 10.173 10.825 ( 4.550 0.000 5.371) 7.039 11.521 ( 9.385 0.000 -0.143) 9.386 11.942 ( 11.562 0.000 -12.022) 16.679 12.506 ( 1.215 0.000 -1.455) 1.896 12.624 ( -6.699 0.000 -2.895) 7.298 12.908 ( -2.482 0.000 1.347) 2.824 12.955 ( 2.850 0.000 -0.004) 2.850 13.700 ( -3.912 0.000 3.351) 5.151 14.588 ( -11.889 0.000 -17.119) 20.843 15.392 ( 2.337 0.000 -0.443) 2.378 15.681 ( 12.395 0.000 -12.625) 17.693 16.730 ( -21.693 0.000 1.709) 21.760 16.955 ( -3.689 0.000 -2.825) 4.647 18.032 ( -9.783 0.000 6.961) 12.007 18.327 ( -8.416 0.000 3.021) 8.942 18.553 ( -0.739 0.000 -5.382) 5.433 19.437 ( 6.034 0.000 10.655) 12.245 19.451 ( -28.665 0.000 -23.194) 36.874 20.268 ( -5.716 0.000 3.068) 6.487 20.745 ( -10.164 0.000 -6.623) 12.131 21.163 ( -17.134 0.000 -24.950) 30.267 23.612 ( 20.646 0.000 26.413) 33.524 24.302 ( 9.223 0.000 13.072) 15.998 25.043 ( -6.433 0.000 -9.331) 11.333 25.243 ( -5.047 0.000 -10.235) 11.411 ======================= Grid point 138 (49/90) ======================= q-point: ( 0.33 0.00 0.30) 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 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: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( 2.210 0.000 3.586) 4.212 1.551 ( 12.734 0.000 9.834) 16.089 1.765 ( 3.463 0.000 0.923) 3.584 1.793 ( -10.276 0.000 -9.628) 14.082 1.801 ( 3.111 0.000 -0.516) 3.154 2.043 ( -3.567 0.000 2.924) 4.612 2.139 ( 7.189 0.000 -3.626) 8.052 2.401 ( 4.320 0.000 -13.699) 14.364 2.906 ( 10.928 0.000 2.844) 11.292 3.106 ( 3.928 0.000 1.954) 4.387 3.485 ( 2.858 0.000 4.095) 4.994 3.602 ( 4.856 0.000 0.717) 4.908 3.787 ( 11.037 0.000 2.364) 11.288 3.794 ( -2.723 0.000 -3.573) 4.492 3.841 ( 9.281 0.000 4.505) 10.317 3.975 ( -3.533 0.000 -0.907) 3.648 4.169 ( 4.419 0.000 2.605) 5.130 4.292 ( 7.784 0.000 5.997) 9.826 4.435 ( 16.192 0.000 2.152) 16.334 4.498 ( 4.354 0.000 4.831) 6.503 4.752 ( 2.002 0.000 -1.904) 2.763 5.027 ( 4.588 0.000 3.283) 5.642 5.045 ( -5.635 0.000 -9.498) 11.044 5.434 ( -17.634 0.000 -2.122) 17.761 5.730 ( -23.215 0.000 -20.338) 30.864 5.816 ( 10.420 0.000 1.126) 10.480 6.043 ( -8.556 0.000 10.394) 13.463 6.103 ( -6.300 0.000 -2.642) 6.832 6.113 ( 3.784 0.000 11.333) 11.948 6.842 ( -7.114 0.000 0.924) 7.174 6.954 ( 3.979 0.000 -1.006) 4.104 6.998 ( 3.271 0.000 -2.043) 3.856 7.540 ( 1.605 0.000 2.113) 2.653 7.646 ( 0.013 0.000 -2.590) 2.590 7.850 ( 2.454 0.000 -3.206) 4.037 7.892 ( 3.540 0.000 -0.671) 3.603 8.538 ( 22.154 0.000 3.924) 22.499 9.066 ( 0.739 0.000 -1.192) 1.403 9.129 ( 24.598 0.000 2.011) 24.680 9.340 ( 4.280 0.000 -5.334) 6.839 9.509 ( -9.454 0.000 4.525) 10.482 9.736 ( -15.116 0.000 1.835) 15.227 9.766 ( -11.492 0.000 0.188) 11.493 9.778 ( 2.883 0.000 10.320) 10.716 10.188 ( 0.599 0.000 -3.930) 3.976 10.420 ( 6.506 0.000 1.914) 6.782 10.731 ( 5.456 0.000 10.780) 12.082 10.881 ( 1.257 0.000 8.591) 8.682 11.671 ( 5.496 0.000 -1.010) 5.588 11.920 ( -7.993 0.000 -6.050) 10.024 12.511 ( -4.177 0.000 -5.573) 6.965 12.621 ( 0.501 0.000 -9.389) 9.402 12.998 ( 16.443 0.000 -5.410) 17.310 13.042 ( 6.263 0.000 -0.373) 6.274 13.602 ( -5.802 0.000 0.739) 5.849 14.314 ( -16.368 0.000 -17.641) 24.065 15.453 ( 4.122 0.000 -0.233) 4.129 15.884 ( 3.291 0.000 -9.424) 9.982 16.395 ( -6.413 0.000 -0.398) 6.425 16.872 ( -4.964 0.000 -2.620) 5.613 17.877 ( -5.293 0.000 2.761) 5.970 18.206 ( -2.960 0.000 -1.906) 3.521 18.478 ( -7.487 0.000 -8.330) 11.201 18.849 ( -31.517 0.000 -24.769) 40.086 19.650 ( 15.030 0.000 4.337) 15.643 20.189 ( -1.670 0.000 3.612) 3.980 20.549 ( -9.739 0.000 -2.466) 10.046 20.801 ( -19.657 0.000 -16.727) 25.811 24.025 ( 21.166 0.000 15.016) 25.952 24.483 ( 9.420 0.000 6.733) 11.579 24.897 ( -8.705 0.000 -6.459) 10.840 25.102 ( -9.382 0.000 -8.640) 12.754 ======================= Grid point 139 (50/90) ======================= q-point: ( 0.44 0.00 0.30) 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 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: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.318 ( 10.156 0.000 -3.773) 10.834 1.548 ( -12.427 0.000 -7.317) 14.421 1.792 ( 9.735 0.000 6.566) 11.742 1.819 ( 2.117 0.000 -2.022) 2.927 1.835 ( 0.295 0.000 -3.576) 3.588 1.951 ( -6.206 0.000 6.019) 8.645 2.288 ( 7.579 0.000 -5.915) 9.614 2.404 ( -3.545 0.000 -9.666) 10.295 3.128 ( 9.090 0.000 -0.226) 9.092 3.183 ( 2.455 0.000 0.255) 2.468 3.536 ( 4.681 0.000 -1.125) 4.814 3.679 ( 4.108 0.000 2.661) 4.894 3.683 ( -8.186 0.000 -6.371) 10.373 3.802 ( -8.508 0.000 5.919) 10.365 3.943 ( 5.324 0.000 1.628) 5.567 3.984 ( 1.689 0.000 0.733) 1.841 4.281 ( 6.530 0.000 1.380) 6.674 4.366 ( -0.688 0.000 3.949) 4.008 4.574 ( 1.952 0.000 -4.542) 4.944 4.602 ( -0.228 0.000 -8.222) 8.225 4.797 ( 6.529 0.000 -3.036) 7.201 4.951 ( -5.554 0.000 -6.330) 8.421 5.141 ( 3.499 0.000 -2.663) 4.397 5.202 ( -6.767 0.000 -2.388) 7.176 5.519 ( 4.811 0.000 -2.466) 5.406 5.749 ( -13.685 0.000 7.094) 15.414 5.970 ( 1.603 0.000 7.919) 8.079 6.021 ( -3.205 0.000 2.923) 4.338 6.352 ( 16.198 0.000 1.052) 16.232 6.641 ( -12.968 0.000 -0.504) 12.978 7.028 ( 3.074 0.000 -2.285) 3.830 7.051 ( 1.035 0.000 -2.775) 2.962 7.589 ( 2.945 0.000 3.175) 4.331 7.633 ( -1.373 0.000 1.199) 1.823 7.897 ( 2.186 0.000 0.932) 2.377 7.923 ( -0.176 0.000 1.633) 1.643 8.890 ( 13.212 0.000 3.912) 13.779 9.041 ( -3.453 0.000 2.927) 4.527 9.344 ( -2.090 0.000 2.633) 3.362 9.365 ( -1.934 0.000 0.288) 1.955 9.535 ( -4.864 0.000 -0.480) 4.887 9.538 ( -6.453 0.000 -1.273) 6.577 9.551 ( 14.382 0.000 -0.129) 14.383 9.770 ( -6.964 0.000 -0.296) 6.971 10.303 ( 9.532 0.000 9.474) 13.439 10.451 ( -3.786 0.000 10.292) 10.967 10.824 ( 3.916 0.000 12.364) 12.969 10.878 ( -1.515 0.000 11.504) 11.603 11.733 ( 1.667 0.000 -4.497) 4.796 11.784 ( -4.682 0.000 -6.386) 7.918 12.483 ( 1.378 0.000 -6.954) 7.090 12.549 ( -4.820 0.000 -7.262) 8.716 13.189 ( 8.330 0.000 -1.001) 8.390 13.298 ( 2.889 0.000 -6.169) 6.812 13.587 ( 12.212 0.000 -9.178) 15.276 13.957 ( -20.213 0.000 -17.106) 26.480 15.563 ( 7.488 0.000 0.575) 7.510 15.748 ( -11.198 0.000 0.806) 11.227 16.534 ( 13.318 0.000 -10.091) 16.710 16.750 ( -8.233 0.000 -5.164) 9.719 17.883 ( 7.730 0.000 -5.815) 9.673 18.196 ( -21.948 0.000 -15.983) 27.151 18.229 ( 4.984 0.000 -7.954) 9.386 18.389 ( -12.383 0.000 -12.980) 17.940 19.982 ( 18.168 0.000 0.401) 18.173 20.199 ( 0.693 0.000 4.988) 5.036 20.381 ( -6.988 0.000 -0.960) 7.053 20.428 ( -16.749 0.000 -10.313) 19.670 24.409 ( 17.784 0.000 4.849) 18.433 24.673 ( 10.415 0.000 0.453) 10.425 24.699 ( -12.140 0.000 -2.295) 12.355 24.891 ( -11.770 0.000 -4.905) 12.751 ======================= Grid point 144 (51/90) ======================= q-point: ( 0.00 0.25 0.30) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( 0.000 9.179 8.202) 12.310 1.358 ( 0.000 5.398 12.805) 13.896 1.623 ( 0.000 -1.070 10.899) 10.951 1.659 ( 0.000 -16.179 -0.272) 16.181 1.841 ( 0.000 -0.723 8.637) 8.667 1.869 ( 0.000 6.909 13.806) 15.438 2.013 ( 0.000 6.502 3.161) 7.230 2.310 ( 0.000 0.939 -10.132) 10.175 2.555 ( 0.000 11.067 1.664) 11.191 2.949 ( 0.000 -8.584 14.706) 17.028 3.007 ( 0.000 8.196 -0.158) 8.197 3.083 ( 0.000 3.064 4.492) 5.438 3.165 ( 0.000 0.445 6.514) 6.530 3.484 ( 0.000 -5.829 8.998) 10.721 3.539 ( 0.000 -6.819 -2.793) 7.369 3.729 ( 0.000 10.243 -6.511) 12.137 3.902 ( 0.000 9.649 2.712) 10.023 3.931 ( 0.000 -13.104 -1.338) 13.172 4.197 ( 0.000 -2.346 -10.950) 11.198 4.234 ( 0.000 -1.227 1.089) 1.641 4.774 ( 0.000 9.442 8.193) 12.501 5.195 ( 0.000 -7.070 0.040) 7.070 5.404 ( 0.000 3.439 10.041) 10.613 5.650 ( 0.000 -5.366 18.770) 19.522 6.169 ( 0.000 -4.730 12.737) 13.587 6.203 ( 0.000 -2.445 3.961) 4.654 6.328 ( 0.000 -1.510 11.889) 11.985 6.385 ( 0.000 -0.480 6.868) 6.884 6.902 ( 0.000 2.629 0.985) 2.808 7.018 ( 0.000 -2.935 -4.343) 5.242 7.100 ( 0.000 4.406 0.004) 4.406 7.220 ( 0.000 0.651 -8.115) 8.141 7.327 ( 0.000 3.881 -6.907) 7.923 7.348 ( 0.000 -0.349 -3.929) 3.945 7.568 ( 0.000 0.212 -6.251) 6.254 7.573 ( 0.000 -2.022 6.414) 6.726 7.705 ( 0.000 3.528 -9.678) 10.301 7.845 ( 0.000 -2.861 -13.762) 14.057 8.846 ( 0.000 3.983 -19.885) 20.280 9.073 ( 0.000 -4.383 -15.483) 16.092 9.432 ( 0.000 9.093 0.448) 9.104 9.688 ( 0.000 -0.513 -4.133) 4.165 10.174 ( 0.000 -6.009 2.442) 6.486 10.229 ( 0.000 -4.166 -1.410) 4.398 10.385 ( 0.000 -4.832 1.556) 5.077 10.473 ( 0.000 -1.961 0.297) 1.983 10.734 ( 0.000 12.100 1.813) 12.235 11.041 ( 0.000 9.404 -1.128) 9.471 11.090 ( 0.000 -5.233 -0.238) 5.238 11.323 ( 0.000 0.946 -4.388) 4.489 12.710 ( 0.000 -1.038 0.120) 1.045 12.783 ( 0.000 -0.858 1.969) 2.148 12.927 ( 0.000 0.330 2.159) 2.184 12.927 ( 0.000 -1.037 4.135) 4.263 13.865 ( 0.000 10.504 0.638) 10.523 14.625 ( 0.000 -17.219 -16.881) 24.113 15.401 ( 0.000 4.287 0.840) 4.368 15.463 ( 0.000 2.540 -3.704) 4.491 17.091 ( 0.000 4.369 -4.745) 6.450 17.215 ( 0.000 -0.291 -10.435) 10.439 18.222 ( 0.000 2.213 -0.148) 2.218 18.440 ( 0.000 -5.849 -3.539) 6.837 18.772 ( 0.000 7.895 12.096) 14.444 19.312 ( 0.000 -12.290 13.834) 18.505 20.113 ( 0.000 2.923 -8.239) 8.742 20.343 ( 0.000 -4.711 2.223) 5.209 21.136 ( 0.000 9.403 -20.138) 22.225 21.492 ( 0.000 -4.957 -32.161) 32.541 23.234 ( 0.000 10.461 38.576) 39.969 23.884 ( 0.000 -14.313 25.443) 29.193 25.212 ( 0.000 2.136 -12.580) 12.760 25.298 ( 0.000 -1.291 -9.546) 9.633 ======================= Grid point 145 (52/90) ======================= q-point: ( 0.11 0.25 0.30) 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 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: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( 4.218 6.360 8.809) 11.655 1.336 ( -1.242 6.301 10.738) 12.512 1.553 ( -2.247 -8.603 11.255) 14.343 1.699 ( 2.453 -7.578 -2.755) 8.428 1.856 ( 0.801 3.242 4.508) 5.610 1.939 ( 3.722 -0.272 3.524) 5.133 2.093 ( 5.295 6.442 6.174) 10.376 2.347 ( 3.333 4.677 -7.118) 9.146 2.721 ( 14.820 12.162 0.082) 19.172 3.000 ( 4.309 -1.908 6.726) 8.212 3.087 ( 9.498 4.277 5.423) 11.744 3.192 ( 8.593 0.248 7.789) 11.600 3.311 ( 15.877 -2.030 6.045) 17.109 3.502 ( 4.266 0.305 3.114) 5.290 3.571 ( 0.379 -6.196 2.245) 6.601 3.714 ( 3.478 8.106 1.885) 9.020 3.947 ( 1.661 -6.183 -2.289) 6.800 4.037 ( 9.543 -0.217 -2.754) 9.935 4.177 ( -1.555 -3.195 -6.163) 7.114 4.268 ( 3.609 -3.371 2.515) 5.542 4.713 ( -5.176 9.080 8.911) 13.734 5.143 ( -5.875 -8.034 0.170) 9.954 5.375 ( -2.262 3.336 6.270) 7.454 5.542 ( -7.395 -2.798 13.178) 15.368 6.083 ( -6.455 0.580 7.964) 10.267 6.192 ( -4.133 -4.919 7.565) 9.925 6.246 ( -6.781 0.227 10.713) 12.681 6.387 ( -0.634 -2.600 3.136) 4.123 6.785 ( -14.354 -0.092 -6.244) 15.654 6.871 ( -11.948 -1.868 -7.925) 14.459 7.029 ( -4.011 6.238 -1.665) 7.600 7.139 ( -5.962 2.259 -5.481) 8.408 7.421 ( 9.504 1.915 -3.120) 10.184 7.530 ( 12.962 -0.777 0.761) 13.008 7.591 ( 3.165 -0.408 -10.594) 11.064 7.739 ( 4.280 4.603 -7.535) 9.812 7.839 ( 9.937 -4.221 -3.704) 11.414 7.911 ( 19.692 -3.303 4.155) 20.394 8.913 ( 6.090 3.676 -16.100) 17.602 9.112 ( 3.840 -3.255 -11.737) 12.771 9.514 ( 6.978 7.834 1.740) 10.635 9.720 ( 2.227 -1.829 -4.031) 4.955 10.144 ( -2.394 -2.657 -1.313) 3.810 10.272 ( 2.224 -5.045 2.051) 5.882 10.325 ( -3.454 1.397 -1.918) 4.190 10.475 ( -5.891 1.621 5.194) 8.019 10.582 ( -14.333 1.264 -0.269) 14.391 10.737 ( -5.483 -0.374 2.381) 5.989 11.363 ( 12.767 4.230 -3.163) 13.817 11.588 ( 20.626 0.524 -5.836) 21.442 12.644 ( -5.928 1.643 1.164) 6.261 12.738 ( -4.723 -0.426 0.930) 4.833 12.906 ( -0.366 -0.953 1.328) 1.675 12.927 ( -1.428 -1.918 3.281) 4.060 13.851 ( -1.593 10.037 -0.018) 10.163 14.577 ( -4.948 -16.346 -16.945) 24.059 15.384 ( -0.707 4.089 -0.369) 4.166 15.535 ( 6.406 1.291 -4.013) 7.669 17.047 ( -5.675 3.131 -5.053) 8.219 17.124 ( -7.828 1.977 -6.986) 10.676 18.203 ( -3.604 2.429 3.100) 5.339 18.451 ( -1.359 -5.922 -1.322) 6.218 18.639 ( -8.877 8.735 7.348) 14.461 19.237 ( -6.182 -14.418 11.380) 19.380 19.987 ( -12.629 5.925 -10.276) 17.326 20.276 ( -6.578 -6.580 0.841) 9.342 21.061 ( -7.023 9.721 -15.924) 19.935 21.394 ( -9.648 -4.193 -29.365) 31.193 23.369 ( 13.049 9.526 34.485) 38.082 23.974 ( 8.448 -13.409 22.217) 27.291 25.178 ( -3.343 2.621 -11.220) 11.998 25.285 ( -1.703 -1.620 -10.013) 10.285 ======================= Grid point 146 (53/90) ======================= q-point: ( 0.22 0.25 0.30) 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 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: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.231 ( -0.703 2.218 8.544) 8.855 1.405 ( 8.917 7.135 5.810) 12.813 1.555 ( 2.215 -8.199 7.060) 11.044 1.766 ( 3.528 -8.223 -4.797) 10.153 1.869 ( 0.638 4.338 1.274) 4.566 1.972 ( -0.358 -0.136 -2.612) 2.640 2.136 ( -0.369 4.968 2.006) 5.370 2.444 ( 6.841 3.833 -2.333) 8.181 2.914 ( 4.324 14.627 -3.324) 15.611 3.098 ( 4.369 4.520 3.369) 7.132 3.334 ( 10.161 -0.760 5.480) 11.569 3.431 ( 17.856 1.698 7.445) 19.420 3.565 ( 3.274 -2.964 0.492) 4.443 3.659 ( 15.296 -2.068 5.374) 16.344 3.747 ( 15.924 6.527 2.836) 17.442 3.831 ( 6.766 -2.193 5.257) 8.845 4.006 ( 5.826 -5.248 -1.270) 7.943 4.112 ( -0.594 -5.534 -6.404) 8.484 4.221 ( 4.997 0.510 4.200) 6.548 4.405 ( 10.365 -7.427 7.176) 14.632 4.633 ( -1.450 6.276 4.375) 7.787 4.977 ( -9.431 -7.447 2.681) 12.312 5.307 ( -4.046 6.815 -1.478) 8.062 5.524 ( 4.791 -3.669 2.999) 6.738 5.893 ( -13.183 6.281 -1.666) 14.698 6.062 ( -10.135 -7.075 4.391) 13.117 6.078 ( -9.976 -1.020 7.535) 12.543 6.316 ( -5.942 3.226 -0.562) 6.784 6.390 ( -21.102 2.329 -9.934) 23.440 6.711 ( -2.189 -8.427 -4.111) 9.628 7.010 ( 0.357 5.720 -0.258) 5.737 7.055 ( -3.264 2.766 0.590) 4.319 7.533 ( 3.337 0.878 -0.597) 3.502 7.622 ( 1.292 -1.087 -7.903) 8.081 7.764 ( 6.856 -1.332 -3.265) 7.710 7.791 ( 2.775 -0.222 -7.105) 7.631 8.145 ( 23.437 4.970 3.568) 24.223 8.461 ( 30.016 -8.296 6.841) 31.884 9.038 ( 5.604 3.201 -8.372) 10.571 9.206 ( 5.412 -2.547 -7.217) 9.374 9.639 ( 3.470 1.811 6.333) 7.444 9.713 ( -2.364 0.681 -1.736) 3.011 10.062 ( -13.958 3.389 3.290) 14.736 10.128 ( -18.273 0.800 2.335) 18.439 10.168 ( -2.604 -1.641 -2.373) 3.886 10.385 ( 4.814 6.598 -3.510) 8.890 10.524 ( 5.882 -6.480 6.089) 10.662 10.780 ( 4.184 -5.073 3.914) 7.652 11.592 ( 10.537 7.213 -1.706) 12.883 11.945 ( 12.458 -1.997 -9.393) 15.730 12.548 ( -1.516 2.989 -1.454) 3.653 12.611 ( -7.717 -1.078 -1.651) 7.965 12.885 ( -1.013 -1.427 2.494) 3.046 12.929 ( 2.634 -1.464 -1.229) 3.254 13.795 ( -4.304 8.909 -1.599) 10.023 14.432 ( -10.071 -14.063 -17.127) 24.342 15.383 ( 0.579 3.371 -1.425) 3.705 15.699 ( 10.311 -2.831 -6.773) 12.657 16.801 ( -17.456 7.581 -0.392) 19.035 17.019 ( -3.748 2.994 -3.000) 5.658 18.049 ( -10.461 2.283 7.012) 12.798 18.292 ( -11.279 -3.741 3.780) 12.470 18.600 ( 0.753 5.107 -4.819) 7.062 19.131 ( -5.740 -16.353 -1.616) 17.406 19.677 ( -15.912 10.010 -10.204) 21.389 20.113 ( -9.192 -10.509 -1.941) 14.096 20.898 ( -9.064 9.919 -7.741) 15.507 21.148 ( -14.796 -1.650 -21.480) 26.135 23.693 ( 19.165 7.326 24.853) 32.228 24.172 ( 11.139 -10.773 15.318) 21.790 25.086 ( -6.089 3.308 -8.886) 11.268 25.220 ( -5.180 -2.045 -9.802) 11.274 ======================= Grid point 147 (54/90) ======================= q-point: ( 0.33 0.25 0.30) 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 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: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( 3.347 4.900 2.959) 6.631 1.600 ( 8.448 -3.972 2.545) 9.676 1.630 ( 6.393 -1.132 3.015) 7.158 1.764 ( -4.984 -3.148 -8.180) 10.083 1.881 ( 0.200 3.319 -0.654) 3.389 1.963 ( 1.079 -4.802 -2.447) 5.497 2.113 ( -1.546 6.465 2.689) 7.170 2.591 ( 7.156 -1.048 -1.358) 7.359 2.977 ( 3.177 13.187 -2.449) 13.784 3.196 ( 6.865 8.685 1.565) 11.181 3.466 ( 4.541 -1.462 4.011) 6.233 3.632 ( 3.134 0.418 0.233) 3.171 3.710 ( 8.241 -4.658 0.836) 9.503 3.824 ( 1.956 2.097 0.326) 2.886 3.909 ( -0.465 0.593 2.063) 2.196 3.933 ( 2.961 -1.471 -1.285) 3.547 4.136 ( 9.456 -2.016 1.627) 9.805 4.271 ( 10.390 -1.960 3.535) 11.149 4.342 ( 9.258 -2.591 2.714) 9.989 4.555 ( 5.559 0.010 5.287) 7.671 4.686 ( 2.983 -3.557 -2.382) 5.218 4.855 ( -2.023 -8.026 -1.720) 8.454 5.249 ( -2.434 10.445 -4.093) 11.479 5.463 ( -10.594 0.547 -4.332) 11.459 5.718 ( -16.368 1.368 -10.809) 19.663 5.844 ( 7.619 0.007 0.156) 7.621 5.958 ( -3.905 -4.793 7.784) 9.940 6.079 ( -13.097 1.369 4.109) 13.795 6.244 ( -0.482 7.284 2.372) 7.676 6.733 ( 2.728 -13.070 -2.372) 13.560 6.943 ( -5.928 6.335 0.315) 8.682 7.068 ( 2.910 1.745 -1.658) 3.776 7.573 ( 1.376 2.163 -0.723) 2.663 7.659 ( 2.525 0.577 0.239) 2.601 7.802 ( 1.038 -2.011 -4.494) 5.031 7.888 ( 3.784 -1.599 0.270) 4.117 8.607 ( 22.028 6.125 3.825) 23.181 8.989 ( 21.997 -9.605 2.851) 24.171 9.102 ( 2.093 2.691 -0.967) 3.543 9.303 ( 3.935 -4.123 -3.468) 6.672 9.535 ( -9.243 2.667 2.581) 9.960 9.695 ( -8.700 -3.108 0.481) 9.250 9.767 ( -14.340 0.157 1.301) 14.400 9.806 ( -5.916 0.194 6.333) 8.668 10.238 ( 6.514 6.079 0.882) 8.953 10.501 ( 5.311 5.321 3.754) 8.403 10.650 ( 6.069 -5.698 8.821) 12.129 10.839 ( 1.528 -4.433 7.977) 9.253 11.751 ( 5.214 8.161 -2.880) 10.103 12.006 ( -2.765 5.091 -5.214) 7.794 12.466 ( -6.322 -3.633 -5.109) 8.903 12.550 ( -2.666 -6.964 -5.574) 9.309 13.009 ( 11.246 0.983 -5.734) 12.661 13.027 ( 11.722 0.223 -4.562) 12.580 13.685 ( -6.737 7.224 -3.160) 10.371 14.189 ( -14.816 -11.265 -17.356) 25.449 15.403 ( 1.421 2.285 -2.395) 3.602 15.916 ( 11.295 -9.735 -9.374) 17.613 16.458 ( -16.106 15.466 5.128) 22.910 16.961 ( -2.217 2.717 -1.284) 3.735 17.880 ( -5.992 0.856 2.202) 6.441 18.109 ( -6.131 -7.140 -1.339) 9.506 18.561 ( -5.525 6.464 -8.588) 12.086 18.863 ( -21.473 -1.486 -19.288) 28.902 19.561 ( 3.924 -3.216 -2.121) 5.499 19.967 ( -4.932 -14.776 -4.171) 16.126 20.730 ( -7.848 10.237 -0.557) 12.911 20.855 ( -14.466 3.378 -11.431) 18.744 24.075 ( 19.499 4.555 13.702) 24.263 24.389 ( 11.072 -7.514 7.523) 15.351 24.943 ( -8.596 3.524 -6.090) 11.108 25.081 ( -9.047 -1.965 -7.924) 12.186 ======================= Grid point 148 (55/90) ======================= q-point: ( 0.44 0.25 0.30) 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 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: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( 7.611 4.206 -3.774) 9.479 1.608 ( -8.758 4.942 -6.966) 12.234 1.682 ( 2.017 -8.430 -3.282) 9.268 1.793 ( 6.543 -0.717 2.618) 7.084 1.866 ( -1.751 -0.233 -0.841) 1.956 2.008 ( 2.797 -7.472 -2.014) 8.228 2.075 ( -2.478 8.108 4.710) 9.698 2.684 ( 2.147 -2.373 -0.445) 3.231 3.034 ( 1.985 11.320 -2.577) 11.778 3.368 ( 9.362 9.712 -1.053) 13.530 3.522 ( 0.884 -0.000 0.220) 0.911 3.666 ( -0.127 -1.146 0.032) 1.153 3.770 ( -1.344 2.261 -0.364) 2.656 3.783 ( -4.676 0.990 -0.025) 4.780 3.885 ( 4.275 -6.717 -0.460) 7.975 3.970 ( -2.028 -2.599 -1.681) 3.700 4.288 ( 5.321 1.350 1.913) 5.813 4.395 ( 2.362 3.053 4.998) 6.315 4.444 ( 1.150 -5.531 -5.110) 7.618 4.635 ( -1.738 -1.924 -9.074) 9.437 4.701 ( 3.173 -3.548 -6.914) 8.394 4.847 ( 0.121 -13.012 -3.429) 13.457 5.164 ( -4.974 11.654 -1.686) 12.782 5.428 ( 5.883 6.906 1.163) 9.146 5.564 ( 0.065 7.193 0.560) 7.215 5.822 ( -12.000 2.622 3.198) 12.693 5.876 ( -1.877 -5.171 8.814) 10.390 5.988 ( 1.983 -5.180 2.224) 5.976 6.313 ( 5.449 2.765 -0.084) 6.111 6.781 ( 1.661 -14.231 -2.320) 14.514 6.827 ( -4.725 11.114 -1.231) 12.139 7.119 ( 1.660 -0.473 -3.523) 3.923 7.594 ( 0.644 1.777 1.444) 2.379 7.714 ( 2.460 4.846 3.586) 6.511 7.812 ( -0.105 -4.698 0.448) 4.720 7.931 ( 0.895 -1.532 2.196) 2.823 8.944 ( 11.672 5.016 3.516) 13.182 9.065 ( -2.394 2.400 2.479) 4.199 9.292 ( 3.283 -7.233 -1.177) 8.030 9.362 ( -3.264 -5.321 4.762) 7.851 9.419 ( 5.687 0.886 0.389) 5.769 9.494 ( -6.515 -0.486 -0.161) 6.535 9.609 ( -1.109 0.082 -1.643) 1.984 9.718 ( -6.592 -4.536 -0.661) 8.029 10.400 ( 8.900 7.729 10.740) 15.947 10.532 ( -2.853 6.516 10.589) 12.756 10.747 ( 3.776 -5.990 12.104) 14.023 10.838 ( -1.318 -4.347 11.702) 12.552 11.790 ( -0.066 8.992 -6.947) 11.363 11.964 ( -0.841 11.522 -4.941) 12.564 12.400 ( 0.037 -7.488 -6.470) 9.896 12.459 ( -5.004 -9.185 -5.483) 11.810 13.152 ( 5.803 2.324 -6.365) 8.921 13.390 ( 15.679 2.128 -11.468) 19.542 13.577 ( 0.079 0.686 -6.872) 6.907 13.863 ( -18.455 -8.201 -16.458) 26.052 15.430 ( 0.940 1.061 -3.060) 3.372 16.097 ( 6.455 -15.433 -8.597) 18.808 16.223 ( -7.588 18.808 5.172) 20.930 16.935 ( -0.527 2.630 0.651) 2.760 17.839 ( 1.417 -1.098 -7.306) 7.523 18.061 ( 0.022 -9.677 -8.261) 12.723 18.369 ( -12.260 11.726 -13.508) 21.686 18.530 ( -7.864 7.027 -14.333) 17.795 19.672 ( 4.336 -14.708 -2.935) 15.612 19.931 ( 0.463 -18.164 -7.658) 19.717 20.587 ( -6.421 12.629 2.690) 14.421 20.655 ( -4.448 9.272 -1.443) 10.384 24.420 ( 14.761 1.391 3.386) 15.209 24.593 ( 9.253 -5.416 -0.046) 10.722 24.756 ( -10.260 3.856 -1.624) 11.080 24.889 ( -9.343 -0.854 -3.518) 10.020 ======================= Grid point 153 (56/90) ======================= q-point: ( 0.00 -0.50 0.30) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( 0.000 -10.732 2.590) 11.040 1.360 ( 0.000 10.732 2.590) 11.040 1.513 ( 0.000 -7.207 11.719) 13.758 1.513 ( 0.000 7.207 11.719) 13.758 1.898 ( 0.000 -3.508 7.998) 8.733 1.898 ( 0.000 3.508 7.998) 8.733 2.206 ( 0.000 -9.517 2.143) 9.755 2.206 ( 0.000 9.517 2.143) 9.755 2.769 ( 0.000 -8.802 13.327) 15.971 2.769 ( 0.000 8.802 13.327) 15.971 3.150 ( 0.000 -0.729 1.418) 1.594 3.150 ( 0.000 0.729 1.418) 1.594 3.316 ( 0.000 -10.280 -1.426) 10.378 3.316 ( 0.000 10.280 -1.426) 10.378 3.519 ( 0.000 -13.926 0.658) 13.941 3.519 ( 0.000 13.926 0.658) 13.941 3.996 ( 0.000 -4.764 -11.993) 12.905 3.996 ( 0.000 4.764 -11.993) 12.905 4.171 ( 0.000 -2.848 3.808) 4.755 4.171 ( 0.000 2.848 3.808) 4.755 5.005 ( 0.000 -10.673 2.150) 10.887 5.005 ( 0.000 10.673 2.150) 10.887 5.513 ( 0.000 -6.569 18.048) 19.206 5.513 ( 0.000 6.569 18.048) 19.206 6.133 ( 0.000 -1.794 11.015) 11.160 6.133 ( 0.000 1.794 11.015) 11.160 6.344 ( 0.000 -2.200 6.750) 7.100 6.344 ( 0.000 2.200 6.750) 7.100 6.959 ( 0.000 -2.549 0.197) 2.557 6.959 ( 0.000 2.549 0.197) 2.557 7.197 ( 0.000 -3.496 -10.050) 10.641 7.197 ( 0.000 3.496 -10.050) 10.641 7.349 ( 0.000 -0.924 1.722) 1.954 7.349 ( 0.000 0.924 1.722) 1.954 7.570 ( 0.000 -0.705 -2.813) 2.900 7.570 ( 0.000 0.705 -2.813) 2.900 7.778 ( 0.000 -3.273 -14.323) 14.692 7.778 ( 0.000 3.273 -14.323) 14.692 8.955 ( 0.000 -5.890 -17.955) 18.897 8.955 ( 0.000 5.890 -17.955) 18.897 9.617 ( 0.000 -6.614 1.138) 6.711 9.617 ( 0.000 6.614 1.138) 6.711 10.133 ( 0.000 -2.636 2.292) 3.493 10.133 ( 0.000 2.636 2.292) 3.493 10.390 ( 0.000 -3.979 -4.262) 5.831 10.390 ( 0.000 3.979 -4.262) 5.831 10.963 ( 0.000 -7.955 1.999) 8.202 10.963 ( 0.000 7.955 1.999) 8.202 11.241 ( 0.000 -8.021 -4.979) 9.441 11.241 ( 0.000 8.021 -4.979) 9.441 12.732 ( 0.000 -2.903 3.310) 4.403 12.732 ( 0.000 2.903 3.310) 4.403 12.921 ( 0.000 -0.538 3.844) 3.881 12.921 ( 0.000 0.538 3.844) 3.881 14.206 ( 0.000 -19.723 -10.570) 22.377 14.206 ( 0.000 19.723 -10.570) 22.377 15.475 ( 0.000 -1.746 0.789) 1.916 15.475 ( 0.000 1.746 0.789) 1.916 17.182 ( 0.000 -3.168 -7.901) 8.512 17.182 ( 0.000 3.168 -7.901) 8.512 18.306 ( 0.000 -5.617 -2.800) 6.277 18.306 ( 0.000 5.617 -2.800) 6.277 19.011 ( 0.000 -13.801 12.010) 18.295 19.011 ( 0.000 13.801 12.010) 18.295 20.219 ( 0.000 -6.165 -0.770) 6.213 20.219 ( 0.000 6.165 -0.770) 6.213 21.342 ( 0.000 -8.816 -27.300) 28.688 21.342 ( 0.000 8.816 -27.300) 28.688 23.534 ( 0.000 -16.517 33.053) 36.950 23.534 ( 0.000 16.517 33.053) 36.950 25.260 ( 0.000 -2.165 -10.739) 10.955 25.260 ( 0.000 2.165 -10.739) 10.955 ======================= Grid point 155 (57/90) ======================= q-point: ( 0.11 -0.50 0.30) 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 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: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( -1.421 -8.189 7.209) 11.002 1.338 ( -1.421 8.189 7.209) 11.002 1.529 ( 2.242 -9.299 4.734) 10.673 1.529 ( 2.242 9.299 4.734) 10.673 1.924 ( 1.998 -2.783 3.944) 5.224 1.924 ( 1.998 2.783 3.944) 5.224 2.279 ( 4.304 -9.211 2.123) 10.386 2.279 ( 4.304 9.211 2.123) 10.386 2.924 ( 14.487 -5.549 10.015) 18.465 2.924 ( 14.487 5.549 10.015) 18.465 3.251 ( 11.159 -6.968 3.977) 13.744 3.251 ( 11.159 6.968 3.977) 13.744 3.323 ( 1.017 -10.336 -1.109) 10.445 3.323 ( 1.017 10.336 -1.109) 10.445 3.625 ( 10.046 -13.184 2.759) 16.803 3.625 ( 10.046 13.184 2.759) 16.803 3.975 ( -1.985 -9.515 -7.540) 12.302 3.975 ( -1.985 9.515 -7.540) 12.302 4.186 ( 1.699 -4.027 1.598) 4.654 4.186 ( 1.699 4.027 1.598) 4.654 4.940 ( -6.194 -10.759 5.074) 13.412 4.940 ( -6.194 10.759 5.074) 13.412 5.460 ( -3.494 -4.380 10.657) 12.040 5.460 ( -3.494 4.380 10.657) 12.040 6.101 ( -3.672 -2.431 8.924) 9.952 6.101 ( -3.672 2.431 8.924) 9.952 6.308 ( -3.810 -4.134 6.260) 8.414 6.308 ( -3.810 4.134 6.260) 8.414 6.818 ( -13.647 -2.444 -7.970) 15.992 6.818 ( -13.647 2.444 -7.970) 15.992 7.131 ( -3.669 -3.042 -3.668) 6.015 7.131 ( -3.669 3.042 -3.668) 6.015 7.485 ( 6.847 -3.445 -1.719) 7.855 7.485 ( 6.847 3.445 -1.719) 7.855 7.667 ( 8.580 -6.860 -7.909) 13.536 7.667 ( 8.580 6.860 -7.909) 13.536 7.855 ( 11.994 -2.694 -2.091) 12.469 7.855 ( 11.994 2.694 -2.091) 12.469 9.014 ( 5.355 -5.303 -13.887) 15.800 9.014 ( 5.355 5.303 -13.887) 15.800 9.657 ( 2.879 -4.722 1.117) 5.642 9.657 ( 2.879 4.722 1.117) 5.642 10.151 ( 2.435 -3.950 0.644) 4.685 10.151 ( 2.435 3.950 0.644) 4.685 10.411 ( -0.785 -5.671 -1.006) 5.813 10.411 ( -0.785 5.671 -1.006) 5.813 10.680 ( -16.154 -5.214 0.118) 16.975 10.680 ( -16.154 5.214 0.118) 16.975 11.507 ( 17.004 -7.246 -4.338) 18.986 11.507 ( 17.004 7.246 -4.338) 18.986 12.700 ( -3.482 -3.056 2.149) 5.107 12.700 ( -3.482 3.056 2.149) 5.107 12.896 ( -1.907 -0.467 3.269) 3.813 12.896 ( -1.907 0.467 3.269) 3.813 14.175 ( -3.241 -18.864 -10.725) 21.940 14.175 ( -3.241 18.864 -10.725) 21.940 15.494 ( 1.909 -4.637 -0.112) 5.016 15.494 ( 1.909 4.637 -0.112) 5.016 17.120 ( -5.800 -2.553 -6.686) 9.212 17.120 ( -5.800 2.553 -6.686) 9.212 18.304 ( -2.046 -6.707 -0.000) 7.012 18.304 ( -2.046 6.707 -0.000) 7.012 18.901 ( -8.569 -15.096 8.905) 19.509 18.901 ( -8.569 15.096 8.905) 19.509 20.129 ( -9.143 -6.927 -3.347) 11.949 20.129 ( -9.143 6.927 -3.347) 11.949 21.261 ( -7.777 -8.120 -23.466) 26.020 21.261 ( -7.777 8.120 -23.466) 26.020 23.646 ( 10.793 -15.430 29.262) 34.797 23.646 ( 10.793 15.430 29.262) 34.797 25.237 ( -2.445 -2.665 -10.289) 10.906 25.237 ( -2.445 2.665 -10.289) 10.906 ======================= Grid point 157 (58/90) ======================= q-point: ( 0.22 -0.50 0.30) 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 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: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( 1.501 -7.513 6.108) 9.799 1.335 ( 1.501 7.513 6.108) 9.799 1.602 ( 4.884 -7.437 -0.797) 8.933 1.602 ( 4.884 7.437 -0.797) 8.933 1.952 ( 0.324 -2.368 0.516) 2.445 1.952 ( 0.324 2.368 0.516) 2.445 2.324 ( 1.204 -10.917 3.167) 11.431 2.324 ( 1.204 10.917 3.167) 11.431 3.199 ( 11.428 -3.680 1.456) 12.094 3.199 ( 11.428 3.680 1.456) 12.094 3.341 ( 1.881 -8.585 -2.167) 9.052 3.341 ( 1.881 8.585 -2.167) 9.052 3.587 ( 19.111 -6.050 8.981) 21.965 3.587 ( 19.111 6.050 8.981) 21.965 3.844 ( 7.600 -6.730 5.568) 11.578 3.844 ( 7.600 6.730 5.568) 11.578 3.955 ( 4.165 -8.451 -3.948) 10.216 3.955 ( 4.165 8.451 -3.948) 10.216 4.257 ( 6.341 -3.826 1.995) 7.670 4.257 ( 6.341 3.826 1.995) 7.670 4.808 ( -6.269 -8.516 4.727) 11.583 4.808 ( -6.269 8.516 4.727) 11.583 5.433 ( 0.649 -4.904 1.117) 5.071 5.433 ( 0.649 4.904 1.117) 5.071 5.959 ( -11.309 -2.079 1.753) 11.631 5.959 ( -11.309 2.079 1.753) 11.631 6.201 ( -7.695 -9.415 3.512) 12.657 6.201 ( -7.695 9.415 3.512) 12.657 6.536 ( -10.837 -7.974 -7.598) 15.451 6.536 ( -10.837 7.974 -7.598) 15.451 7.086 ( -1.629 -0.874 -0.290) 1.871 7.086 ( -1.629 0.874 -0.290) 1.871 7.576 ( 3.195 -2.842 -3.987) 5.847 7.576 ( 3.195 2.842 -3.987) 5.847 7.765 ( 3.521 -1.480 -6.365) 7.423 7.765 ( 3.521 1.480 -6.365) 7.423 8.285 ( 26.847 -7.585 5.396) 28.414 8.285 ( 26.847 7.585 5.396) 28.414 9.126 ( 5.241 -4.495 -7.316) 10.060 9.126 ( 5.241 4.495 -7.316) 10.060 9.680 ( -0.923 -2.537 1.669) 3.173 9.680 ( -0.923 2.537 1.669) 3.173 10.125 ( -17.879 -0.608 3.255) 18.183 10.125 ( -17.879 0.608 3.255) 18.183 10.275 ( 4.728 -10.694 0.912) 11.729 10.275 ( 4.728 10.694 0.912) 11.729 10.617 ( 4.556 -9.205 0.377) 10.277 10.617 ( 4.556 9.205 0.377) 10.277 11.801 ( 12.431 -10.349 -4.643) 16.828 11.801 ( 12.431 10.349 -4.643) 16.828 12.592 ( -7.532 -0.925 -1.064) 7.663 12.592 ( -7.532 0.925 -1.064) 7.663 12.892 ( 2.775 -1.791 0.301) 3.316 12.892 ( 2.775 1.791 0.301) 3.316 14.077 ( -6.943 -16.545 -11.179) 21.140 14.077 ( -6.943 16.545 -11.179) 21.140 15.543 ( 3.019 -9.577 -2.430) 10.331 15.543 ( 3.019 9.577 -2.430) 10.331 16.984 ( -7.565 -6.679 -2.734) 10.455 16.984 ( -7.565 6.679 -2.734) 10.455 18.160 ( -11.837 -7.421 6.007) 15.208 18.160 ( -11.837 7.421 6.007) 15.208 18.798 ( -1.988 -13.242 -2.574) 13.636 18.798 ( -1.988 13.242 -2.574) 13.636 19.891 ( -14.035 -10.081 -8.073) 19.073 19.891 ( -14.035 10.081 -8.073) 19.073 21.073 ( -10.745 -5.802 -14.035) 18.604 21.073 ( -10.745 5.802 -14.035) 18.604 23.910 ( 15.380 -12.232 20.499) 28.397 23.910 ( 15.380 12.232 20.499) 28.397 25.161 ( -5.564 -3.336 -9.004) 11.098 25.161 ( -5.564 3.336 -9.004) 11.098 ======================= Grid point 159 (59/90) ======================= q-point: ( 0.33 -0.50 0.30) 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 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: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( 4.827 -9.135 1.436) 10.431 1.398 ( 4.827 9.135 1.436) 10.431 1.693 ( 3.818 -2.791 -3.800) 6.067 1.693 ( 3.818 2.791 -3.800) 6.067 1.928 ( -2.524 -0.927 -1.032) 2.880 1.928 ( -2.524 0.927 -1.032) 2.880 2.353 ( 1.827 -14.634 5.991) 15.918 2.353 ( 1.827 14.634 5.991) 15.918 3.348 ( 4.674 -13.301 -0.034) 14.098 3.348 ( 4.674 13.301 -0.034) 14.098 3.426 ( 7.566 -12.373 -2.005) 14.641 3.426 ( 7.566 12.373 -2.005) 14.641 3.782 ( -1.504 -6.813 0.450) 6.992 3.782 ( -1.504 6.813 0.450) 6.992 3.893 ( 3.386 -2.995 1.943) 4.921 3.893 ( 3.386 2.995 1.943) 4.921 4.188 ( 13.455 -4.864 0.318) 14.311 4.188 ( 13.455 4.864 0.318) 14.311 4.415 ( 8.120 -8.183 5.201) 12.647 4.415 ( 8.120 8.183 5.201) 12.647 4.720 ( -3.136 -4.636 -2.580) 6.163 4.720 ( -3.136 4.636 -2.580) 6.163 5.424 ( -3.216 -4.926 -4.534) 7.427 5.424 ( -3.216 4.926 -4.534) 7.427 5.763 ( -4.514 -4.537 -0.389) 6.412 5.763 ( -4.514 4.537 -0.389) 6.412 6.026 ( -8.912 -6.618 3.989) 11.795 6.026 ( -8.912 6.618 3.989) 11.795 6.451 ( 0.042 -11.966 -1.779) 12.097 6.451 ( 0.042 11.966 -1.779) 12.097 7.056 ( -1.365 -3.120 -1.344) 3.661 7.056 ( -1.365 3.120 -1.344) 3.661 7.626 ( 2.443 -2.839 -1.607) 4.076 7.626 ( 2.443 2.839 -1.607) 4.076 7.827 ( 2.521 -3.328 -0.754) 4.243 7.827 ( 2.521 3.328 -0.754) 4.243 8.778 ( 22.349 -9.338 3.605) 24.488 8.778 ( 22.349 9.338 3.605) 24.488 9.190 ( 1.326 -5.285 -1.417) 5.630 9.190 ( 1.326 5.285 -1.417) 5.630 9.614 ( -6.847 -4.175 0.532) 8.037 9.614 ( -6.847 4.175 0.532) 8.037 9.782 ( -13.061 -1.335 2.276) 13.325 9.782 ( -13.061 1.335 2.276) 13.325 10.424 ( 8.372 -9.536 7.107) 14.544 10.424 ( 8.372 9.536 7.107) 14.544 10.702 ( 2.888 -7.489 5.398) 9.673 10.702 ( 2.888 7.489 5.398) 9.673 11.975 ( 5.995 -9.394 -4.398) 11.980 11.975 ( 5.995 9.394 -4.398) 11.980 12.425 ( -9.197 -2.459 -4.194) 10.403 12.425 ( -9.197 2.459 -4.194) 10.403 13.033 ( 11.612 -0.495 -6.626) 13.379 13.033 ( 11.612 0.495 -6.626) 13.379 13.905 ( -10.678 -13.026 -11.556) 20.427 13.905 ( -10.678 13.026 -11.556) 20.427 15.604 ( 2.992 -14.600 -5.090) 15.748 15.604 ( 2.992 14.600 -5.090) 15.748 16.843 ( -6.677 -14.250 3.331) 16.085 16.843 ( -6.677 14.250 3.331) 16.085 17.954 ( -7.378 -6.261 0.651) 9.699 17.954 ( -7.378 6.261 0.651) 9.699 18.730 ( -6.886 -8.803 -10.782) 15.529 18.730 ( -6.886 8.803 -10.782) 15.529 19.664 ( -7.438 -11.702 -9.477) 16.795 19.664 ( -7.438 11.702 -9.477) 16.795 20.874 ( -9.063 -2.626 -4.188) 10.323 20.874 ( -9.063 2.626 -4.188) 10.323 24.213 ( 15.346 -7.969 10.498) 20.229 24.213 ( 15.346 7.969 10.498) 20.229 25.021 ( -8.674 -3.442 -6.616) 11.440 25.021 ( -8.674 3.442 -6.616) 11.440 ======================= Grid point 161 (60/90) ======================= q-point: ( 0.44 -0.50 0.30) 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 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: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( 4.034 -7.980 -3.577) 9.631 1.496 ( 4.034 7.980 -3.577) 9.631 1.727 ( -0.368 -5.259 -4.947) 7.229 1.727 ( -0.368 5.259 -4.947) 7.229 1.884 ( -1.147 -3.010 0.194) 3.227 1.884 ( -1.147 3.010 0.194) 3.227 2.381 ( 0.790 -17.210 7.523) 18.799 2.381 ( 0.790 17.210 7.523) 18.799 3.437 ( 3.944 -12.534 -0.604) 13.153 3.437 ( 3.944 12.534 -0.604) 13.153 3.587 ( 7.735 -10.356 -3.670) 13.437 3.587 ( 7.735 10.356 -3.670) 13.437 3.701 ( -4.939 -3.405 1.347) 6.148 3.701 ( -4.939 3.405 1.347) 6.148 3.896 ( -2.403 -4.008 -4.297) 6.349 3.896 ( -2.403 4.008 -4.297) 6.349 4.350 ( 3.032 -3.705 -0.095) 4.789 4.350 ( 3.032 3.705 -0.095) 4.789 4.530 ( 2.849 -8.652 1.540) 9.239 4.530 ( 2.849 8.652 1.540) 9.239 4.663 ( -1.836 -1.686 -10.193) 10.493 4.663 ( -1.836 1.686 -10.193) 10.493 5.408 ( 2.617 -8.812 0.321) 9.198 5.408 ( 2.617 8.812 0.321) 9.198 5.724 ( -2.800 -6.946 9.927) 12.435 5.724 ( -2.800 6.946 9.927) 12.435 5.901 ( -2.852 -5.270 -1.798) 6.257 5.901 ( -2.852 5.270 -1.798) 6.257 6.479 ( 1.688 -11.980 -1.400) 12.179 6.479 ( 1.688 11.980 -1.400) 12.179 7.035 ( -0.725 -7.157 -3.148) 7.853 7.035 ( -0.725 7.157 -3.148) 7.853 7.671 ( 1.719 -5.055 1.516) 5.550 7.671 ( 1.719 5.055 1.516) 5.550 7.856 ( 0.539 -5.010 2.709) 5.721 7.856 ( 0.539 5.010 2.709) 5.721 9.088 ( 8.704 -6.314 1.026) 10.802 9.088 ( 8.704 6.314 1.026) 10.802 9.190 ( -1.949 -5.052 3.569) 6.485 9.190 ( -1.949 5.052 3.569) 6.485 9.499 ( 0.624 -2.136 -0.265) 2.241 9.499 ( 0.624 2.136 -0.265) 2.241 9.614 ( -7.437 -3.201 -0.645) 8.123 9.614 ( -7.437 3.201 -0.645) 8.123 10.578 ( 6.955 -7.805 12.208) 16.072 10.578 ( 6.955 7.805 12.208) 16.072 10.704 ( -2.646 -7.109 11.046) 13.400 10.704 ( -2.646 7.109 11.046) 13.400 12.070 ( 4.245 -12.484 -6.060) 14.512 12.070 ( 4.245 12.484 -6.060) 14.512 12.259 ( -6.844 -6.777 -5.886) 11.287 12.259 ( -6.844 6.777 -5.886) 11.287 13.295 ( 13.128 -8.585 -13.028) 20.390 13.295 ( 13.128 8.585 -13.028) 20.390 13.676 ( -11.634 -7.588 -10.332) 17.312 13.676 ( -11.634 7.588 -10.332) 17.312 15.649 ( 1.364 -17.712 -6.803) 19.023 15.649 ( 1.364 17.712 -6.803) 19.023 16.744 ( -2.934 -19.585 7.692) 21.245 16.744 ( -2.934 19.585 7.692) 21.245 17.888 ( -0.394 -5.684 -8.117) 9.917 17.888 ( -0.394 5.684 -8.117) 9.917 18.567 ( -6.766 -4.829 -13.066) 15.486 18.567 ( -6.766 4.829 -13.066) 15.486 19.602 ( -0.511 -9.056 -9.452) 13.100 19.602 ( -0.511 9.056 -9.452) 13.100 20.745 ( -3.703 -1.463 2.043) 4.475 20.745 ( -3.703 1.463 2.043) 4.475 24.481 ( 10.921 -4.351 1.097) 11.807 24.481 ( 10.921 4.351 1.097) 11.807 24.841 ( -8.655 -3.503 -1.950) 9.539 24.841 ( -8.655 3.503 -1.950) 9.539 ======================= Grid point 180 (61/90) ======================= q-point: ( 0.00 0.00 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( 0.000 0.000 9.240) 9.240 1.501 ( 0.000 0.000 8.627) 8.627 1.752 ( 0.000 0.000 -16.689) 16.689 1.760 ( 0.000 0.000 2.543) 2.543 1.941 ( 0.000 0.000 1.822) 1.822 1.989 ( 0.000 0.000 2.104) 2.104 2.043 ( 0.000 0.000 3.427) 3.427 2.078 ( 0.000 0.000 5.751) 5.751 2.429 ( 0.000 0.000 10.201) 10.201 2.992 ( 0.000 0.000 -5.233) 5.233 3.101 ( 0.000 0.000 9.817) 9.817 3.353 ( 0.000 0.000 -3.457) 3.457 3.377 ( 0.000 0.000 8.898) 8.898 3.434 ( 0.000 0.000 8.936) 8.936 3.614 ( 0.000 0.000 -3.303) 3.303 3.710 ( 0.000 0.000 -3.087) 3.087 3.838 ( 0.000 0.000 5.028) 5.028 4.005 ( 0.000 0.000 -5.773) 5.773 4.081 ( 0.000 0.000 2.245) 2.245 4.267 ( 0.000 0.000 -0.807) 0.807 4.819 ( 0.000 0.000 5.745) 5.745 5.101 ( 0.000 0.000 -9.827) 9.827 5.709 ( 0.000 0.000 20.877) 20.877 6.079 ( 0.000 0.000 18.090) 18.090 6.225 ( 0.000 0.000 0.140) 0.140 6.473 ( 0.000 0.000 10.127) 10.127 6.500 ( 0.000 0.000 2.702) 2.702 6.631 ( 0.000 0.000 9.907) 9.907 6.770 ( 0.000 0.000 -4.022) 4.022 6.771 ( 0.000 0.000 -16.208) 16.208 6.992 ( 0.000 0.000 -13.942) 13.942 7.226 ( 0.000 0.000 8.098) 8.098 7.226 ( 0.000 0.000 -17.780) 17.780 7.260 ( 0.000 0.000 4.998) 4.998 7.277 ( 0.000 0.000 0.358) 0.358 7.592 ( 0.000 0.000 -13.503) 13.503 7.712 ( 0.000 0.000 6.318) 6.318 7.978 ( 0.000 0.000 20.537) 20.537 8.362 ( 0.000 0.000 -22.327) 22.327 8.796 ( 0.000 0.000 -18.492) 18.492 9.332 ( 0.000 0.000 2.532) 2.532 9.543 ( 0.000 0.000 -6.867) 6.867 10.207 ( 0.000 0.000 -2.212) 2.212 10.249 ( 0.000 0.000 -2.525) 2.525 10.610 ( 0.000 0.000 7.139) 7.139 10.626 ( 0.000 0.000 6.113) 6.113 10.726 ( 0.000 0.000 12.110) 12.110 10.894 ( 0.000 0.000 -1.117) 1.117 11.105 ( 0.000 0.000 -9.236) 9.236 11.137 ( 0.000 0.000 -6.104) 6.104 12.715 ( 0.000 0.000 -0.193) 0.193 12.774 ( 0.000 0.000 -1.499) 1.499 12.930 ( 0.000 0.000 0.983) 0.983 12.968 ( 0.000 0.000 0.084) 0.084 13.940 ( 0.000 0.000 10.893) 10.893 14.501 ( 0.000 0.000 -16.520) 16.520 15.319 ( 0.000 0.000 -1.864) 1.864 15.333 ( 0.000 0.000 -0.912) 0.912 16.984 ( 0.000 0.000 -1.567) 1.567 17.051 ( 0.000 0.000 -5.605) 5.605 18.256 ( 0.000 0.000 3.720) 3.720 18.432 ( 0.000 0.000 -4.308) 4.308 18.979 ( 0.000 0.000 16.755) 16.755 19.736 ( 0.000 0.000 -19.403) 19.403 19.817 ( 0.000 0.000 20.209) 20.209 20.466 ( 0.000 0.000 3.699) 3.699 20.760 ( 0.000 0.000 -10.508) 10.508 20.883 ( 0.000 0.000 -31.474) 31.474 23.851 ( 0.000 0.000 32.832) 32.832 24.459 ( 0.000 0.000 19.176) 19.176 24.861 ( 0.000 0.000 -18.827) 18.827 25.097 ( 0.000 0.000 -12.544) 12.544 ======================= Grid point 181 (62/90) ======================= q-point: ( 0.11 0.00 0.40) 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 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: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( 6.196 0.000 8.401) 10.439 1.469 ( -3.454 0.000 8.960) 9.603 1.743 ( -1.426 0.000 0.377) 1.475 1.773 ( 2.673 0.000 -17.844) 18.043 1.945 ( -1.067 0.000 0.968) 1.440 1.961 ( -5.458 0.000 6.825) 8.739 1.984 ( 0.736 0.000 2.843) 2.937 2.130 ( 3.144 0.000 1.252) 3.384 2.619 ( 14.899 0.000 9.028) 17.421 3.072 ( 3.229 0.000 -5.399) 6.291 3.161 ( 7.728 0.000 8.774) 11.692 3.365 ( 7.255 0.000 0.190) 7.257 3.501 ( 4.588 0.000 5.967) 7.527 3.504 ( 12.104 0.000 5.573) 13.326 3.630 ( 3.233 0.000 4.643) 5.657 3.845 ( 10.937 0.000 -2.582) 11.238 3.920 ( 7.719 0.000 0.725) 7.753 3.924 ( -3.893 0.000 -4.544) 5.984 4.194 ( 7.560 0.000 3.493) 8.328 4.365 ( 9.322 0.000 -0.532) 9.337 4.778 ( -4.195 0.000 7.312) 8.430 5.062 ( -3.665 0.000 -9.204) 9.906 5.578 ( -10.918 0.000 15.598) 19.040 5.860 ( -17.768 0.000 13.588) 22.368 6.093 ( -13.685 0.000 -2.962) 14.002 6.369 ( -15.298 0.000 -5.670) 16.315 6.481 ( -0.610 0.000 12.034) 12.049 6.523 ( -8.900 0.000 8.082) 12.022 6.525 ( -20.374 0.000 -12.814) 24.068 6.794 ( 2.087 0.000 -2.043) 2.920 6.854 ( -4.104 0.000 -2.224) 4.668 7.080 ( -5.974 0.000 -6.534) 8.853 7.385 ( 8.066 0.000 -4.529) 9.250 7.422 ( 11.440 0.000 2.069) 11.626 7.502 ( 12.602 0.000 -3.600) 13.106 7.566 ( -0.291 0.000 -8.438) 8.443 7.840 ( 13.731 0.000 7.443) 15.619 8.243 ( 22.724 0.000 15.775) 27.663 8.498 ( 12.604 0.000 -19.680) 23.370 8.886 ( 8.282 0.000 -14.874) 17.024 9.443 ( 10.820 0.000 3.393) 11.340 9.645 ( 9.342 0.000 -5.190) 10.687 10.149 ( -8.154 0.000 -1.034) 8.219 10.177 ( -3.104 0.000 -3.344) 4.563 10.480 ( -15.638 0.000 5.857) 16.699 10.536 ( -15.853 0.000 1.228) 15.901 10.681 ( 3.017 0.000 6.351) 7.031 10.779 ( 3.596 0.000 0.839) 3.693 11.287 ( 13.357 0.000 -1.861) 13.486 11.420 ( 18.603 0.000 -6.257) 19.627 12.638 ( -6.897 0.000 0.903) 6.956 12.714 ( -5.858 0.000 -1.895) 6.157 12.933 ( 0.481 0.000 0.816) 0.947 12.965 ( -0.726 0.000 0.016) 0.726 13.905 ( -3.615 0.000 9.811) 10.455 14.438 ( -6.406 0.000 -16.167) 17.390 15.347 ( 1.408 0.000 -0.662) 1.556 15.364 ( 4.566 0.000 -3.075) 5.505 16.959 ( -2.410 0.000 -1.964) 3.109 16.979 ( -7.378 0.000 -3.547) 8.187 18.275 ( 0.902 0.000 4.740) 4.825 18.455 ( 1.756 0.000 -4.046) 4.411 18.772 ( -18.906 0.000 14.734) 23.969 19.512 ( -21.466 0.000 -20.835) 29.914 19.761 ( -5.076 0.000 19.199) 19.859 20.422 ( -5.223 0.000 1.338) 5.392 20.722 ( -3.746 0.000 -8.593) 9.374 20.829 ( -4.962 0.000 -27.771) 28.211 23.925 ( 7.086 0.000 29.837) 30.667 24.490 ( 2.818 0.000 17.050) 17.281 24.853 ( -0.983 0.000 -17.301) 17.329 25.080 ( -1.818 0.000 -12.360) 12.493 ======================= Grid point 182 (63/90) ======================= q-point: ( 0.22 0.00 0.40) 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 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: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( -5.535 0.000 7.429) 9.264 1.460 ( 10.254 0.000 6.086) 11.924 1.706 ( -2.969 0.000 -5.871) 6.579 1.853 ( 5.016 0.000 -15.144) 15.953 1.859 ( -4.451 0.000 4.335) 6.213 1.873 ( -4.971 0.000 1.353) 5.152 2.041 ( 4.398 0.000 4.082) 6.000 2.201 ( 3.989 0.000 -0.049) 3.989 2.844 ( 8.097 0.000 6.822) 10.588 3.072 ( -0.137 0.000 -2.629) 2.633 3.402 ( 13.415 0.000 5.564) 14.523 3.562 ( 2.884 0.000 3.534) 4.561 3.600 ( 10.403 0.000 -1.120) 10.463 3.762 ( 8.815 0.000 10.610) 13.794 3.808 ( 15.273 0.000 -4.617) 15.955 3.878 ( 1.971 0.000 3.557) 4.066 4.074 ( 11.342 0.000 -2.325) 11.578 4.089 ( 8.254 0.000 -0.334) 8.261 4.355 ( 9.498 0.000 7.938) 12.378 4.574 ( 9.463 0.000 -2.866) 9.887 4.679 ( -3.794 0.000 10.177) 10.861 4.973 ( -5.519 0.000 -8.009) 9.727 5.303 ( -17.277 0.000 9.451) 19.693 5.643 ( -0.045 0.000 2.689) 2.690 5.744 ( -19.130 0.000 -4.719) 19.703 5.878 ( -29.741 0.000 -17.774) 34.647 6.248 ( -9.337 0.000 2.607) 9.694 6.348 ( -7.833 0.000 5.359) 9.491 6.437 ( -4.311 0.000 13.620) 14.287 6.839 ( 2.508 0.000 -2.227) 3.354 6.855 ( 2.443 0.000 -0.276) 2.459 6.962 ( -6.335 0.000 -7.993) 10.199 7.520 ( 5.624 0.000 -2.821) 6.292 7.534 ( 2.264 0.000 0.908) 2.439 7.646 ( 6.546 0.000 -6.692) 9.361 7.700 ( 8.177 0.000 -5.243) 9.713 8.228 ( 23.736 0.000 11.107) 26.206 8.724 ( 24.813 0.000 8.101) 26.102 8.778 ( 14.496 0.000 -13.152) 19.573 9.070 ( 9.714 0.000 -8.645) 13.004 9.713 ( 15.222 0.000 6.334) 16.488 9.776 ( -1.566 0.000 4.830) 5.078 10.013 ( -7.042 0.000 -4.054) 8.126 10.091 ( -5.134 0.000 -4.914) 7.107 10.146 ( -17.129 0.000 1.345) 17.182 10.248 ( -5.262 0.000 -1.768) 5.550 10.783 ( 6.703 0.000 7.058) 9.734 10.897 ( 6.434 0.000 1.654) 6.643 11.531 ( 10.691 0.000 1.648) 10.817 11.741 ( 12.161 0.000 -8.448) 14.807 12.502 ( -5.329 0.000 0.478) 5.351 12.566 ( -8.641 0.000 -2.698) 9.053 12.938 ( -1.328 0.000 1.475) 1.985 12.957 ( 2.309 0.000 0.187) 2.316 13.800 ( -7.134 0.000 7.044) 10.025 14.261 ( -11.623 0.000 -15.371) 19.270 15.388 ( 2.900 0.000 0.248) 2.910 15.494 ( 8.752 0.000 -6.378) 10.830 16.768 ( -14.216 0.000 2.524) 14.438 16.896 ( -4.114 0.000 -3.145) 5.179 18.202 ( -11.424 0.000 9.952) 15.151 18.406 ( -13.879 0.000 5.179) 14.814 18.464 ( -1.937 0.000 -3.901) 4.355 18.981 ( -31.258 0.000 -22.776) 38.676 19.683 ( -0.902 0.000 14.470) 14.498 20.278 ( -7.946 0.000 -4.447) 9.106 20.626 ( -5.944 0.000 -4.938) 7.728 20.706 ( -7.808 0.000 -17.792) 19.430 24.100 ( 10.262 0.000 22.346) 24.589 24.551 ( 3.077 0.000 12.116) 12.500 24.817 ( -2.815 0.000 -13.547) 13.837 25.022 ( -4.238 0.000 -11.585) 12.336 ======================= Grid point 183 (64/90) ======================= q-point: ( 0.33 0.00 0.40) 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 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: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( -3.254 0.000 5.277) 6.200 1.583 ( -8.198 0.000 -9.907) 12.859 1.683 ( 10.699 0.000 3.744) 11.335 1.798 ( -1.958 0.000 0.107) 1.961 1.806 ( -1.714 0.000 1.837) 2.512 1.946 ( 4.003 0.000 -9.543) 10.349 2.137 ( 5.105 0.000 3.102) 5.973 2.268 ( 2.375 0.000 -1.913) 3.050 2.988 ( 7.559 0.000 4.796) 8.952 3.109 ( 3.740 0.000 -0.949) 3.858 3.555 ( 2.859 0.000 1.756) 3.355 3.644 ( 4.408 0.000 3.818) 5.832 3.669 ( -2.451 0.000 -6.074) 6.550 3.874 ( -0.238 0.000 -4.945) 4.950 3.894 ( 3.583 0.000 8.664) 9.376 4.051 ( 5.812 0.000 8.149) 10.009 4.229 ( 7.194 0.000 2.817) 7.726 4.301 ( 9.257 0.000 -3.674) 9.959 4.554 ( 9.266 0.000 6.936) 11.574 4.599 ( -0.148 0.000 3.882) 3.884 4.714 ( -1.087 0.000 -0.769) 1.331 4.831 ( -8.344 0.000 -9.139) 12.375 5.068 ( -4.130 0.000 1.100) 4.274 5.341 ( -22.334 0.000 -14.293) 26.516 5.523 ( -1.889 0.000 5.533) 5.846 5.789 ( 11.608 0.000 -3.947) 12.261 6.133 ( -2.778 0.000 4.669) 5.433 6.232 ( -4.908 0.000 5.679) 7.506 6.323 ( -5.950 0.000 12.004) 13.398 6.786 ( -9.527 0.000 -6.674) 11.633 6.894 ( 3.201 0.000 -3.286) 4.588 6.941 ( 3.129 0.000 -3.646) 4.805 7.587 ( 3.278 0.000 2.505) 4.126 7.605 ( 3.372 0.000 -0.931) 3.498 7.769 ( 6.159 0.000 -4.050) 7.371 7.832 ( 5.418 0.000 -4.621) 7.122 8.674 ( 20.878 0.000 9.066) 22.762 9.010 ( 8.726 0.000 -5.082) 10.098 9.155 ( 18.802 0.000 1.006) 18.829 9.240 ( 7.671 0.000 -4.054) 8.676 9.625 ( -9.930 0.000 6.618) 11.933 9.758 ( -14.253 0.000 0.775) 14.274 9.759 ( -13.563 0.000 -0.680) 13.580 9.895 ( -8.368 0.000 -0.907) 8.417 10.174 ( 16.272 0.000 4.709) 16.940 10.417 ( 13.567 0.000 -2.511) 13.797 10.920 ( 6.854 0.000 7.581) 10.220 11.006 ( 4.530 0.000 3.619) 5.798 11.668 ( 2.893 0.000 1.029) 3.071 11.810 ( -4.416 0.000 -5.108) 6.753 12.419 ( -5.498 0.000 -3.117) 6.320 12.465 ( -0.522 0.000 -5.643) 5.667 12.977 ( 7.339 0.000 1.516) 7.494 13.035 ( 5.818 0.000 -0.521) 5.841 13.641 ( -8.780 0.000 3.673) 9.517 13.996 ( -15.363 0.000 -13.973) 20.767 15.465 ( 5.215 0.000 1.821) 5.524 15.684 ( 9.533 0.000 -9.288) 13.310 16.464 ( -14.722 0.000 6.599) 16.133 16.789 ( -7.448 0.000 -6.096) 9.624 17.945 ( -10.773 0.000 4.536) 11.689 18.213 ( -7.994 0.000 2.085) 8.262 18.332 ( -17.938 0.000 -9.058) 20.095 18.408 ( -18.899 0.000 -15.735) 24.592 19.764 ( 8.934 0.000 7.537) 11.688 20.178 ( -1.475 0.000 -6.513) 6.678 20.497 ( -7.206 0.000 -2.366) 7.584 20.521 ( -11.188 0.000 -8.579) 14.099 24.303 ( 10.403 0.000 12.939) 16.602 24.607 ( 2.871 0.000 6.193) 6.826 24.744 ( -4.618 0.000 -8.871) 10.001 24.917 ( -6.493 0.000 -9.471) 11.483 ======================= Grid point 184 (65/90) ======================= q-point: ( 0.44 0.00 0.40) 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 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: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( 3.408 0.000 0.004) 3.408 1.404 ( -8.670 0.000 -6.122) 10.613 1.777 ( -0.336 0.000 -1.980) 2.009 1.782 ( -0.653 0.000 -1.416) 1.559 1.882 ( 8.245 0.000 1.404) 8.363 1.979 ( -1.377 0.000 -3.245) 3.525 2.228 ( 4.040 0.000 0.290) 4.050 2.281 ( -1.105 0.000 -2.131) 2.401 3.132 ( 6.231 0.000 0.636) 6.264 3.178 ( 1.775 0.000 -0.697) 1.907 3.566 ( -0.870 0.000 2.444) 2.594 3.588 ( -3.853 0.000 -2.512) 4.599 3.694 ( 2.633 0.000 0.531) 2.687 3.794 ( -6.671 0.000 -3.504) 7.535 3.974 ( 6.174 0.000 1.209) 6.291 4.090 ( -3.236 0.000 3.379) 4.679 4.376 ( 6.892 0.000 6.708) 9.618 4.389 ( 3.290 0.000 -0.516) 3.330 4.551 ( -5.275 0.000 2.431) 5.808 4.569 ( -5.751 0.000 5.348) 7.853 4.722 ( 4.851 0.000 -4.315) 6.492 4.796 ( 0.898 0.000 -7.990) 8.040 5.042 ( -1.694 0.000 -6.560) 6.776 5.044 ( -6.673 0.000 -9.718) 11.789 5.667 ( 13.392 0.000 11.842) 17.876 5.903 ( -5.848 0.000 5.462) 8.002 6.115 ( 0.069 0.000 5.907) 5.908 6.122 ( -2.305 0.000 7.138) 7.501 6.343 ( 8.477 0.000 -0.335) 8.484 6.568 ( -12.487 0.000 -6.489) 14.073 6.955 ( 2.649 0.000 -4.044) 4.835 6.980 ( 0.380 0.000 -4.217) 4.234 7.645 ( 2.126 0.000 2.575) 3.339 7.653 ( 1.333 0.000 1.278) 1.846 7.874 ( 3.978 0.000 -2.373) 4.632 7.901 ( 1.322 0.000 -2.960) 3.242 9.003 ( 12.175 0.000 6.336) 13.725 9.107 ( 0.989 0.000 2.468) 2.659 9.367 ( 5.177 0.000 0.455) 5.197 9.395 ( 1.834 0.000 1.989) 2.705 9.510 ( -8.973 0.000 -1.059) 9.035 9.518 ( 1.223 0.000 -1.566) 1.987 9.544 ( -3.533 0.000 0.759) 3.614 9.715 ( -9.999 0.000 -4.931) 11.149 10.493 ( 13.326 0.000 8.673) 15.899 10.602 ( 3.103 0.000 4.365) 5.355 11.030 ( 4.006 0.000 7.786) 8.756 11.062 ( 0.823 0.000 6.401) 6.453 11.662 ( -1.653 0.000 -2.218) 2.766 11.687 ( -5.204 0.000 -3.202) 6.110 12.372 ( 0.505 0.000 -3.604) 3.639 12.418 ( -3.477 0.000 -5.372) 6.399 13.171 ( 7.205 0.000 -0.864) 7.257 13.189 ( 9.539 0.000 -3.562) 10.183 13.503 ( -2.189 0.000 -0.782) 2.324 13.683 ( -16.005 0.000 -10.428) 19.102 15.597 ( 8.334 0.000 3.227) 8.937 15.752 ( -4.809 0.000 -0.907) 4.894 16.356 ( 6.378 0.000 -5.706) 8.558 16.587 ( -13.180 0.000 -10.862) 17.078 17.824 ( -1.258 0.000 -0.533) 1.367 17.936 ( -13.891 0.000 -8.747) 16.415 18.126 ( -0.047 0.000 -2.608) 2.609 18.208 ( -7.782 0.000 -6.222) 9.964 19.993 ( 13.557 0.000 1.156) 13.606 20.204 ( 0.568 0.000 -8.555) 8.574 20.291 ( -9.392 0.000 1.570) 9.522 20.354 ( -7.146 0.000 -1.342) 7.271 24.493 ( 8.899 0.000 3.833) 9.690 24.640 ( -6.263 0.000 -3.411) 7.132 24.673 ( 4.323 0.000 0.147) 4.326 24.783 ( -6.791 0.000 -5.383) 8.666 ======================= Grid point 189 (66/90) ======================= q-point: ( 0.00 0.25 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( 0.000 2.561 4.606) 5.270 1.516 ( 0.000 -11.736 -9.143) 14.877 1.553 ( 0.000 4.358 7.403) 8.591 1.731 ( 0.000 -1.777 0.423) 1.827 1.890 ( 0.000 -3.070 0.862) 3.189 2.006 ( 0.000 -4.303 -4.484) 6.214 2.176 ( 0.000 10.694 8.817) 13.860 2.321 ( 0.000 15.848 8.113) 17.804 2.605 ( 0.000 14.535 6.941) 16.107 3.052 ( 0.000 2.628 -2.868) 3.890 3.098 ( 0.000 0.614 7.809) 7.833 3.235 ( 0.000 -3.773 6.109) 7.181 3.313 ( 0.000 -3.333 7.436) 8.148 3.476 ( 0.000 -6.536 -2.549) 7.016 3.623 ( 0.000 4.826 -3.376) 5.889 3.637 ( 0.000 -5.419 4.108) 6.800 3.836 ( 0.000 -0.632 -4.612) 4.655 3.889 ( 0.000 -10.861 -2.741) 11.202 4.158 ( 0.000 5.241 3.617) 6.368 4.252 ( 0.000 -0.091 0.243) 0.260 4.876 ( 0.000 4.673 3.108) 5.612 5.068 ( 0.000 -2.898 -7.599) 8.133 5.764 ( 0.000 4.797 20.406) 20.962 6.006 ( 0.000 -5.106 15.702) 16.512 6.254 ( 0.000 0.799 2.776) 2.889 6.356 ( 0.000 -6.463 4.942) 8.136 6.538 ( 0.000 1.106 8.388) 8.461 6.599 ( 0.000 -2.094 13.419) 13.581 6.778 ( 0.000 0.862 -16.884) 16.906 6.779 ( 0.000 1.184 -8.543) 8.624 7.131 ( 0.000 9.274 -11.638) 14.881 7.155 ( 0.000 -3.198 -0.278) 3.210 7.191 ( 0.000 -2.416 5.821) 6.302 7.268 ( 0.000 2.490 -15.566) 15.764 7.369 ( 0.000 3.257 2.790) 4.289 7.539 ( 0.000 -4.663 -11.274) 12.200 7.721 ( 0.000 0.971 7.297) 7.362 7.886 ( 0.000 -6.657 18.390) 19.558 8.422 ( 0.000 5.023 -22.164) 22.726 8.717 ( 0.000 -6.514 -19.830) 20.873 9.468 ( 0.000 10.383 2.755) 10.742 9.608 ( 0.000 4.749 -3.914) 6.154 10.175 ( 0.000 -1.697 -2.139) 2.730 10.195 ( 0.000 -3.613 -0.769) 3.694 10.485 ( 0.000 -10.572 6.185) 12.248 10.515 ( 0.000 -8.234 3.525) 8.957 10.802 ( 0.000 9.340 5.042) 10.614 11.027 ( 0.000 6.698 0.017) 6.698 11.047 ( 0.000 -1.232 -4.304) 4.477 11.197 ( 0.000 0.208 -7.535) 7.538 12.732 ( 0.000 2.203 2.006) 2.980 12.801 ( 0.000 1.759 -0.214) 1.772 12.961 ( 0.000 1.930 1.329) 2.344 12.983 ( 0.000 0.724 1.253) 1.447 13.915 ( 0.000 -0.240 4.770) 4.776 14.307 ( 0.000 -14.478 -14.468) 20.468 15.411 ( 0.000 5.582 0.236) 5.587 15.421 ( 0.000 6.308 -0.924) 6.375 17.022 ( 0.000 2.912 -2.158) 3.624 17.065 ( 0.000 0.984 -4.922) 5.020 18.239 ( 0.000 -0.865 1.880) 2.070 18.366 ( 0.000 -5.320 -3.784) 6.528 19.045 ( 0.000 6.088 14.848) 16.047 19.503 ( 0.000 -13.038 1.338) 13.107 20.017 ( 0.000 10.354 3.388) 10.894 20.398 ( 0.000 -5.981 3.326) 6.844 20.784 ( 0.000 2.021 -14.711) 14.849 20.870 ( 0.000 -1.184 -29.028) 29.052 23.926 ( 0.000 6.680 30.621) 31.341 24.339 ( 0.000 -9.438 19.659) 21.808 24.924 ( 0.000 4.465 -15.781) 16.401 25.076 ( 0.000 -1.958 -12.784) 12.933 ======================= Grid point 190 (67/90) ======================= q-point: ( 0.11 0.25 0.40) 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 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: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( 4.144 0.942 3.020) 5.214 1.471 ( -5.279 -3.784 0.558) 6.518 1.577 ( 4.238 -3.869 -0.304) 5.747 1.704 ( -2.364 -2.792 0.325) 3.672 1.908 ( 0.866 -1.526 0.851) 1.950 1.993 ( -1.182 -2.025 -0.609) 2.422 2.137 ( -2.681 11.786 3.375) 12.549 2.371 ( 3.998 14.246 3.903) 15.302 2.754 ( 11.079 10.572 5.518) 16.277 3.076 ( 2.429 0.376 -0.559) 2.520 3.214 ( 10.797 4.869 7.238) 13.881 3.343 ( 8.809 -2.578 5.033) 10.468 3.426 ( 13.926 -2.706 4.124) 14.773 3.489 ( 2.220 -5.603 -1.271) 6.159 3.648 ( 5.980 3.278 3.106) 7.493 3.794 ( 9.518 -3.089 4.408) 10.935 3.873 ( 4.539 -3.555 -7.561) 9.508 3.912 ( 1.654 -3.697 -1.237) 4.235 4.196 ( 5.399 -0.026 3.187) 6.270 4.316 ( 5.663 -2.904 1.684) 6.583 4.841 ( -3.744 5.129 4.153) 7.588 5.037 ( -3.090 -2.425 -6.775) 7.831 5.620 ( -11.980 3.764 15.537) 19.977 5.810 ( -16.152 -3.774 12.623) 20.844 6.123 ( -13.517 1.949 -3.323) 14.055 6.325 ( -7.162 -7.848 3.694) 11.248 6.387 ( -14.978 2.191 -2.930) 15.418 6.525 ( -6.318 -0.375 8.793) 10.834 6.618 ( -10.665 2.745 -0.217) 11.015 6.708 ( -6.023 -4.126 -5.402) 9.082 6.968 ( -3.241 6.257 -3.303) 7.782 7.106 ( -5.519 1.249 -5.385) 7.812 7.332 ( 7.887 -3.006 -6.278) 10.519 7.379 ( 8.180 -1.819 -6.911) 10.862 7.548 ( 11.348 1.162 0.009) 11.408 7.560 ( 2.902 -0.160 -6.739) 7.339 7.874 ( 16.144 3.436 9.571) 19.079 8.145 ( 22.409 -7.454 15.252) 28.113 8.558 ( 12.504 5.045 -19.048) 23.337 8.829 ( 9.921 -5.052 -16.243) 19.693 9.552 ( 8.125 7.950 1.550) 11.472 9.663 ( 4.712 1.534 -1.550) 5.192 10.127 ( -3.990 -0.233 -0.449) 4.022 10.216 ( 1.933 1.836 -3.253) 4.206 10.406 ( -6.011 -5.411 5.369) 9.708 10.563 ( -16.556 2.988 2.046) 16.948 10.606 ( -0.369 -7.134 3.708) 8.049 10.754 ( -6.019 -2.462 -1.072) 6.591 11.296 ( 14.975 4.173 -2.898) 15.813 11.486 ( 17.783 1.575 -4.382) 18.382 12.670 ( -6.065 2.968 1.447) 6.906 12.743 ( -5.991 1.797 -0.287) 6.262 12.937 ( -1.338 0.828 1.426) 2.123 12.978 ( -1.120 0.039 1.573) 1.932 13.884 ( -3.224 -0.076 3.858) 5.029 14.258 ( -5.047 -13.736 -14.475) 20.584 15.372 ( -1.563 5.498 -0.588) 5.746 15.493 ( 4.939 4.844 -0.863) 6.972 16.963 ( -6.180 2.011 -3.007) 7.161 17.029 ( -2.891 2.093 -2.792) 4.531 18.258 ( 0.828 -0.599 2.769) 2.951 18.401 ( 2.798 -4.647 -2.918) 6.160 18.854 ( -17.553 7.532 13.090) 23.156 19.354 ( -14.794 -11.658 -3.355) 19.132 19.876 ( -12.971 7.924 3.628) 15.627 20.276 ( -11.162 -10.140 -1.614) 15.166 20.798 ( 0.079 4.162 -10.279) 11.090 20.843 ( -2.405 1.006 -23.647) 23.790 23.991 ( 6.247 5.947 27.686) 28.999 24.373 ( 3.117 -9.065 17.198) 19.690 24.918 ( -0.844 4.460 -14.329) 15.031 25.061 ( -1.610 -1.762 -12.363) 12.591 ======================= Grid point 191 (68/90) ======================= q-point: ( 0.22 0.25 0.40) 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 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: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( -3.268 -0.514 5.055) 6.042 1.436 ( 7.083 -2.353 -2.155) 7.768 1.646 ( -3.500 -3.791 -1.981) 5.527 1.676 ( 4.428 -6.692 0.535) 8.042 1.901 ( -0.906 1.668 0.936) 2.116 1.957 ( -2.492 1.600 2.082) 3.621 2.110 ( 0.371 10.999 -2.252) 11.233 2.468 ( 5.773 12.497 1.828) 13.887 2.895 ( 4.032 4.561 1.631) 6.302 3.139 ( 3.890 6.929 0.491) 7.962 3.437 ( 7.826 -0.049 4.584) 9.070 3.537 ( 9.091 -8.400 -0.791) 12.403 3.567 ( 8.200 2.718 3.956) 9.501 3.788 ( 7.793 2.922 4.238) 9.339 3.815 ( 17.961 3.321 -0.924) 18.289 3.872 ( 3.676 -1.335 6.459) 7.551 3.985 ( 4.058 -5.060 -4.745) 8.036 4.053 ( 11.988 -3.651 2.172) 12.718 4.326 ( 6.833 -2.680 6.148) 9.574 4.487 ( 11.506 -7.966 0.532) 14.005 4.734 ( -6.503 4.855 5.129) 9.600 4.946 ( -6.688 -2.847 -4.051) 8.322 5.363 ( -13.472 5.276 6.912) 16.035 5.574 ( -6.354 -4.212 2.384) 7.987 5.804 ( -14.034 3.413 -5.834) 15.577 5.892 ( -26.189 0.395 -14.635) 30.004 6.232 ( -6.349 1.102 7.674) 10.020 6.389 ( -6.659 2.819 4.245) 8.385 6.449 ( -8.086 -0.134 10.845) 13.529 6.655 ( 0.523 -10.427 -1.597) 10.562 6.962 ( 1.040 4.096 -2.969) 5.165 6.998 ( -5.711 2.505 -7.349) 9.638 7.449 ( 4.723 -2.490 -5.053) 7.351 7.532 ( 7.311 -5.149 -5.449) 10.471 7.634 ( 4.751 3.572 -1.753) 6.197 7.738 ( 7.882 0.371 -2.522) 8.284 8.290 ( 24.017 5.499 10.870) 26.930 8.622 ( 24.582 -7.748 8.873) 27.258 8.830 ( 13.753 4.152 -12.202) 18.848 9.038 ( 10.582 -3.176 -9.513) 14.580 9.699 ( 2.011 -1.614 0.194) 2.586 9.741 ( 2.996 -2.185 3.076) 4.818 10.083 ( 1.497 8.019 1.230) 8.250 10.138 ( -17.265 0.460 0.543) 17.280 10.179 ( -18.861 2.051 0.647) 18.983 10.321 ( 7.968 7.933 -3.305) 11.720 10.647 ( 7.006 -9.577 5.190) 12.952 10.841 ( 7.155 -7.075 2.116) 10.282 11.560 ( 11.432 5.042 -1.187) 12.551 11.795 ( 12.724 1.342 -5.659) 13.991 12.524 ( -8.004 1.895 -1.158) 8.306 12.584 ( -9.363 0.779 -0.809) 9.430 12.927 ( 0.389 -0.463 0.603) 0.854 12.948 ( -0.901 -0.789 3.139) 3.360 13.788 ( -6.616 0.303 1.604) 6.815 14.112 ( -9.965 -11.789 -14.279) 21.027 15.354 ( -0.356 3.607 -1.296) 3.849 15.611 ( 7.232 1.439 -2.518) 7.792 16.796 ( -10.578 5.078 0.143) 11.735 16.972 ( -2.852 3.208 -1.756) 4.638 18.196 ( -9.292 0.420 7.173) 11.746 18.369 ( -11.052 -3.083 3.702) 12.056 18.546 ( -7.077 7.408 -0.024) 10.246 18.963 ( -24.291 -3.684 -14.149) 28.352 19.625 ( -9.776 -2.002 4.897) 11.116 20.028 ( -12.651 -16.319 -6.789) 21.736 20.755 ( -4.133 6.539 -11.720) 14.043 20.793 ( -3.012 5.704 -7.209) 9.673 24.145 ( 9.027 4.169 20.361) 22.659 24.443 ( 3.765 -7.859 11.438) 14.379 24.884 ( -2.734 4.339 -10.761) 11.921 25.008 ( -3.911 -1.318 -11.091) 11.834 ======================= Grid point 192 (69/90) ======================= q-point: ( 0.33 0.25 0.40) 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 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: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( -1.437 3.395 4.166) 5.563 1.557 ( -1.197 -3.736 -7.125) 8.134 1.622 ( 6.468 -2.675 -3.240) 7.713 1.686 ( -2.758 -5.063 1.423) 5.939 1.884 ( -0.882 2.529 0.474) 2.720 1.960 ( 2.845 -3.238 2.109) 4.799 2.138 ( 2.127 12.370 -0.165) 12.553 2.577 ( 4.992 11.882 -0.336) 12.892 2.959 ( 3.003 2.225 0.362) 3.755 3.227 ( 5.307 10.009 1.615) 11.443 3.542 ( 3.962 -1.208 2.425) 4.800 3.636 ( 2.507 -7.512 -2.558) 8.322 3.676 ( 0.833 3.145 0.278) 3.265 3.865 ( -0.030 -1.216 2.727) 2.987 3.886 ( 0.500 0.416 -0.630) 0.906 3.996 ( -0.391 -6.048 2.970) 6.749 4.197 ( 13.589 -0.558 3.883) 14.144 4.250 ( 7.237 -2.534 -3.041) 8.248 4.475 ( 7.058 -3.001 6.748) 10.215 4.620 ( -2.322 0.265 -2.040) 3.102 4.647 ( -1.531 -4.636 1.778) 5.196 4.792 ( -5.895 -5.077 -3.439) 8.506 5.172 ( -5.919 8.960 -1.718) 10.875 5.439 ( -9.293 3.095 -4.665) 10.849 5.525 ( -2.407 4.079 -1.617) 5.004 5.799 ( 8.826 -0.758 -3.628) 9.573 6.123 ( -4.578 0.951 8.600) 9.789 6.263 ( -10.889 -1.997 10.665) 15.372 6.311 ( -1.752 3.607 3.068) 5.049 6.690 ( 2.422 -12.118 -1.790) 12.487 6.877 ( -6.562 5.076 -6.273) 10.401 6.991 ( 1.602 0.929 -4.734) 5.083 7.532 ( 4.086 -0.760 -2.152) 4.680 7.666 ( 6.529 -5.236 -3.179) 8.952 7.723 ( 4.111 5.122 0.309) 6.575 7.865 ( 5.290 0.225 -2.222) 5.742 8.728 ( 19.931 4.884 7.926) 21.998 9.038 ( 14.688 -7.073 1.855) 16.407 9.047 ( 10.507 2.391 -4.735) 11.770 9.234 ( 10.140 -2.594 -3.065) 10.906 9.612 ( -8.746 -0.232 4.998) 10.076 9.699 ( -7.642 -3.175 0.197) 8.277 9.776 ( -17.978 0.145 -0.241) 17.980 9.843 ( -11.118 -3.699 -2.393) 11.959 10.311 ( 15.683 10.835 6.023) 19.991 10.532 ( 11.702 9.194 -0.522) 14.891 10.809 ( 8.607 -8.340 6.184) 13.486 10.965 ( 5.281 -5.381 4.483) 8.772 11.704 ( 2.470 6.284 -1.680) 6.958 11.923 ( 0.491 6.016 -3.106) 6.788 12.370 ( -7.396 -2.955 -3.853) 8.847 12.446 ( -4.579 -4.334 -4.023) 7.479 12.977 ( 6.860 -0.692 -0.486) 6.912 12.983 ( 4.153 -2.228 1.141) 4.849 13.636 ( -8.688 0.446 -1.126) 8.772 13.878 ( -13.739 -9.175 -13.182) 21.136 15.357 ( 0.583 0.804 -2.022) 2.253 15.768 ( 8.681 -5.971 -5.254) 11.774 16.570 ( -12.015 14.934 5.889) 20.051 16.922 ( -2.167 6.244 -2.568) 7.090 17.944 ( -12.823 0.710 4.498) 13.608 18.115 ( -12.721 -5.576 0.857) 13.916 18.427 ( -11.906 6.579 -5.983) 14.860 18.499 ( -17.765 5.424 -14.492) 23.559 19.551 ( 1.289 -12.898 0.962) 12.998 19.843 ( -5.738 -20.923 -7.090) 22.825 20.661 ( -5.174 10.290 -7.156) 13.559 20.724 ( -3.707 9.282 -0.249) 9.998 24.322 ( 8.886 1.907 11.129) 14.369 24.512 ( 3.358 -6.180 4.613) 8.411 24.812 ( -4.525 4.008 -6.336) 8.757 24.913 ( -5.655 -0.573 -8.384) 10.129 ======================= Grid point 193 (70/90) ======================= q-point: ( 0.44 0.25 0.40) 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 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: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( 0.624 3.666 -1.347) 3.955 1.491 ( -3.245 6.660 -4.132) 8.482 1.630 ( -1.260 -8.197 -1.777) 8.481 1.773 ( 5.480 -3.516 -2.095) 6.840 1.866 ( -1.075 0.254 -1.339) 1.736 2.008 ( 1.446 -7.273 2.855) 7.946 2.173 ( 1.042 13.864 3.220) 14.271 2.648 ( 2.074 12.248 -2.202) 12.616 3.004 ( 1.281 0.502 -0.328) 1.415 3.339 ( 5.281 10.169 -1.923) 11.619 3.551 ( -2.463 0.726 1.466) 2.957 3.644 ( -1.393 -2.912 -0.709) 3.305 3.698 ( 1.990 3.930 -1.233) 4.575 3.827 ( -2.497 -0.232 -2.955) 3.876 3.870 ( 1.541 -7.058 1.788) 7.442 3.958 ( -4.877 -12.011 -1.429) 13.042 4.324 ( 2.941 -1.066 -0.024) 3.128 4.399 ( 6.806 -1.708 3.217) 7.719 4.500 ( -5.353 -3.664 -3.583) 7.411 4.549 ( -2.065 0.543 7.408) 7.709 4.577 ( -1.483 -4.913 -4.243) 6.659 4.788 ( 1.531 -7.380 -3.343) 8.245 5.098 ( -1.840 14.475 -3.453) 14.995 5.370 ( 0.346 15.278 -5.532) 16.252 5.677 ( 13.969 0.519 8.813) 16.525 5.935 ( -3.594 1.217 2.713) 4.665 6.037 ( -5.856 -9.107 5.133) 11.982 6.062 ( -1.688 -2.832 8.745) 9.346 6.323 ( 1.766 4.381 1.308) 4.901 6.725 ( 0.030 -0.765 -4.376) 4.442 6.766 ( -3.114 -2.072 -2.928) 4.750 7.015 ( 0.716 -1.255 -5.800) 5.978 7.598 ( 2.152 0.443 -0.291) 2.216 7.769 ( 3.304 -4.544 -1.915) 5.935 7.783 ( 1.697 5.008 1.301) 5.446 7.939 ( 2.066 0.051 -0.941) 2.271 9.030 ( 10.404 2.618 4.398) 11.595 9.132 ( 1.714 2.107 3.321) 4.290 9.283 ( 7.263 -5.711 -0.031) 9.239 9.416 ( 3.687 -6.303 0.179) 7.304 9.435 ( -4.320 1.607 2.459) 5.224 9.491 ( -8.117 -0.056 -0.356) 8.125 9.575 ( -3.263 0.225 -1.263) 3.506 9.673 ( -7.967 -3.453 -3.716) 9.445 10.597 ( 11.476 8.179 8.239) 16.324 10.693 ( 2.910 7.672 5.160) 9.693 10.947 ( 4.632 -6.141 7.300) 10.605 11.032 ( 1.437 -4.236 7.290) 8.553 11.674 ( -3.010 7.879 -4.242) 9.442 11.888 ( -2.113 11.328 -2.459) 11.782 12.291 ( -0.574 -6.432 -3.886) 7.537 12.359 ( -4.056 -8.530 -4.034) 10.270 13.075 ( 4.053 -3.584 -1.126) 5.526 13.206 ( 14.798 -3.013 -6.691) 16.518 13.462 ( -9.810 -1.100 -5.434) 11.268 13.612 ( -11.196 -5.070 -8.107) 14.724 15.370 ( 0.509 -1.646 -2.577) 3.100 15.918 ( 5.418 -18.622 -7.587) 20.826 16.375 ( -6.516 28.218 9.010) 30.330 16.892 ( -0.851 11.753 -5.117) 12.847 17.748 ( -6.644 -1.722 -2.423) 7.279 17.945 ( -3.630 -9.214 -3.859) 10.628 18.140 ( -9.262 12.225 -7.732) 17.176 18.332 ( -4.637 4.790 -6.318) 9.185 19.605 ( 2.456 -19.312 -3.623) 19.802 19.789 ( -0.754 -23.058 -5.265) 23.664 20.576 ( -2.781 14.798 -2.110) 15.204 20.668 ( -1.638 11.380 1.555) 11.602 24.469 ( 5.133 -0.949 1.682) 5.484 24.576 ( 3.198 -5.127 -1.259) 6.172 24.717 ( -4.742 4.147 -1.822) 6.558 24.814 ( -3.468 0.977 -3.397) 4.951 ======================= Grid point 198 (71/90) ======================= q-point: ( 0.00 -0.50 0.40) 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 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| 1.340 ( 0.000 -4.843 -3.163) 5.784 1.340 ( 0.000 4.843 -3.163) 5.784 1.662 ( 0.000 -4.998 3.914) 6.348 1.662 ( 0.000 4.998 3.914) 6.348 1.896 ( 0.000 -4.196 -3.547) 5.494 1.896 ( 0.000 4.196 -3.547) 5.494 2.414 ( 0.000 -7.881 12.809) 15.039 2.414 ( 0.000 7.881 12.809) 15.039 2.929 ( 0.000 -12.974 0.825) 13.000 2.929 ( 0.000 12.974 0.825) 13.000 3.206 ( 0.000 -5.633 4.760) 7.375 3.206 ( 0.000 5.633 4.760) 7.375 3.329 ( 0.000 -4.522 3.004) 5.428 3.329 ( 0.000 4.522 3.004) 5.428 3.567 ( 0.000 -3.656 2.668) 4.527 3.567 ( 0.000 3.656 2.668) 4.527 3.798 ( 0.000 -2.677 -7.163) 7.647 3.798 ( 0.000 2.677 -7.163) 7.647 4.242 ( 0.000 -1.949 2.657) 3.295 4.242 ( 0.000 1.949 2.657) 3.295 4.984 ( 0.000 -4.805 -2.485) 5.409 4.984 ( 0.000 4.805 -2.485) 5.409 5.886 ( 0.000 -5.964 17.707) 18.684 5.886 ( 0.000 5.964 17.707) 18.684 6.264 ( 0.000 -1.632 3.009) 3.423 6.264 ( 0.000 1.632 3.009) 3.423 6.562 ( 0.000 -1.367 13.524) 13.593 6.562 ( 0.000 1.367 13.524) 13.593 6.797 ( 0.000 -0.153 -13.673) 13.674 6.797 ( 0.000 0.153 -13.673) 13.674 7.136 ( 0.000 -1.277 2.269) 2.604 7.136 ( 0.000 1.277 2.269) 2.604 7.292 ( 0.000 -3.046 -15.922) 16.210 7.292 ( 0.000 3.046 -15.922) 16.210 7.427 ( 0.000 -4.246 -1.466) 4.491 7.427 ( 0.000 4.246 -1.466) 4.491 7.767 ( 0.000 -3.740 12.072) 12.638 7.767 ( 0.000 3.740 12.072) 12.638 8.559 ( 0.000 -7.442 -21.447) 22.701 8.559 ( 0.000 7.442 -21.447) 22.701 9.648 ( 0.000 -3.544 1.491) 3.845 9.648 ( 0.000 3.544 1.491) 3.845 10.155 ( 0.000 -0.253 -0.847) 0.884 10.155 ( 0.000 0.253 -0.847) 0.884 10.365 ( 0.000 -2.088 2.016) 2.902 10.365 ( 0.000 2.088 2.016) 2.902 10.991 ( 0.000 -6.040 1.006) 6.123 10.991 ( 0.000 6.040 1.006) 6.123 11.138 ( 0.000 -4.268 -4.907) 6.504 11.138 ( 0.000 4.268 -4.907) 6.504 12.798 ( 0.000 -2.608 2.726) 3.773 12.798 ( 0.000 2.608 2.726) 3.773 12.985 ( 0.000 -0.353 2.496) 2.521 12.985 ( 0.000 0.353 2.496) 2.521 14.017 ( 0.000 -10.303 -7.476) 12.729 14.017 ( 0.000 10.303 -7.476) 12.729 15.492 ( 0.000 -0.586 0.722) 0.930 15.492 ( 0.000 0.586 0.722) 0.930 17.071 ( 0.000 -0.990 -3.426) 3.566 17.071 ( 0.000 0.990 -3.426) 3.566 18.260 ( 0.000 -3.395 -1.689) 3.793 18.260 ( 0.000 3.395 -1.689) 3.793 19.234 ( 0.000 -11.262 9.400) 14.669 19.234 ( 0.000 11.262 9.400) 14.669 20.230 ( 0.000 -9.250 2.780) 9.659 20.230 ( 0.000 9.250 2.780) 9.659 20.833 ( 0.000 -2.201 -22.648) 22.755 20.833 ( 0.000 2.201 -22.648) 22.755 24.116 ( 0.000 -10.401 25.034) 27.109 24.116 ( 0.000 10.401 25.034) 27.109 25.015 ( 0.000 -3.656 -13.648) 14.129 25.015 ( 0.000 3.656 -13.648) 14.129 ======================= Grid point 200 (72/90) ======================= q-point: ( 0.11 -0.50 0.40) 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 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: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( 0.985 -3.613 -3.223) 4.940 1.350 ( 0.985 3.613 -3.223) 4.940 1.631 ( -2.269 -4.111 3.896) 6.101 1.631 ( -2.269 4.111 3.896) 6.101 1.922 ( 2.043 -3.000 -1.948) 4.119 1.922 ( 2.043 3.000 -1.948) 4.119 2.413 ( -0.382 -10.181 8.734) 13.419 2.413 ( -0.382 10.181 8.734) 13.419 3.007 ( 7.265 -11.124 -1.563) 13.378 3.007 ( 7.265 11.124 -1.563) 13.378 3.297 ( 2.425 -4.357 2.000) 5.373 3.297 ( 2.425 4.357 2.000) 5.373 3.413 ( 15.598 -3.393 7.581) 17.672 3.413 ( 15.598 3.393 7.581) 17.672 3.705 ( 11.230 -6.917 3.819) 13.731 3.705 ( 11.230 6.917 3.819) 13.731 3.826 ( 3.166 -4.127 -5.999) 7.940 3.826 ( 3.166 4.127 -5.999) 7.940 4.245 ( 0.709 -3.863 2.966) 4.922 4.245 ( 0.709 3.863 2.966) 4.922 4.957 ( -3.048 -4.959 -1.671) 6.056 4.957 ( -3.048 4.959 -1.671) 6.056 5.718 ( -13.867 -4.750 13.919) 20.214 5.718 ( -13.867 4.750 13.919) 20.214 6.185 ( -10.167 -4.628 -0.935) 11.210 6.185 ( -10.167 4.628 -0.935) 11.210 6.469 ( -8.235 -4.420 5.695) 10.944 6.469 ( -8.235 4.420 5.695) 10.944 6.653 ( -10.512 -1.408 -2.589) 10.917 6.653 ( -10.512 1.408 -2.589) 10.917 7.077 ( -3.446 -3.708 -3.591) 6.207 7.077 ( -3.446 3.708 -3.591) 6.207 7.335 ( 4.469 -2.183 -12.217) 13.191 7.335 ( 4.469 2.183 -12.217) 13.191 7.555 ( 8.578 -0.609 -0.939) 8.651 7.555 ( 8.578 0.609 -0.939) 8.651 7.985 ( 20.353 -6.664 12.921) 25.012 7.985 ( 20.353 6.664 12.921) 25.012 8.692 ( 11.897 -6.955 -17.989) 22.661 8.692 ( 11.897 6.955 -17.989) 22.661 9.673 ( 1.999 -2.060 0.417) 2.900 9.673 ( 1.999 2.060 0.417) 2.900 10.180 ( 3.281 -5.190 1.450) 6.309 10.180 ( 3.281 5.190 1.450) 6.309 10.410 ( 2.024 -7.942 1.221) 8.287 10.410 ( 2.024 7.942 1.221) 8.287 10.673 ( -17.334 -5.356 -0.896) 18.165 10.673 ( -17.334 5.356 -0.896) 18.165 11.430 ( 16.698 -6.100 -3.147) 18.054 11.430 ( 16.698 6.100 -3.147) 18.054 12.742 ( -5.989 -2.500 1.654) 6.697 12.742 ( -5.989 2.500 1.654) 6.697 12.960 ( -1.983 -1.158 2.884) 3.686 12.960 ( -1.983 1.158 2.884) 3.686 13.982 ( -3.662 -9.758 -7.712) 12.965 13.982 ( -3.662 9.758 -7.712) 12.965 15.498 ( 0.581 -4.146 0.292) 4.197 15.498 ( 0.581 4.146 0.292) 4.197 17.025 ( -4.103 -2.488 -2.977) 5.646 17.025 ( -4.103 2.488 -2.977) 5.646 18.294 ( 2.323 -4.140 -0.572) 4.782 18.294 ( 2.323 4.140 -0.572) 4.782 19.080 ( -14.461 -12.757 7.971) 20.866 19.080 ( -14.461 12.757 7.971) 20.866 20.062 ( -15.488 -9.355 -2.884) 18.322 20.062 ( -15.488 9.355 -2.884) 18.322 20.851 ( 0.927 -0.769 -16.262) 16.307 20.851 ( 0.927 0.769 -16.262) 16.307 24.163 ( 4.499 -9.591 22.273) 24.664 24.163 ( 4.499 9.591 22.273) 24.664 25.005 ( -1.139 -3.429 -12.702) 13.205 25.005 ( -1.139 3.429 -12.702) 13.205 ======================= Grid point 202 (73/90) ======================= q-point: ( 0.22 -0.50 0.40) 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 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: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( 2.187 -1.990 -1.536) 3.332 1.379 ( 2.187 1.990 -1.536) 3.332 1.607 ( -0.163 -0.554 1.574) 1.676 1.607 ( -0.163 0.554 1.574) 1.676 1.940 ( -0.563 -1.929 -0.968) 2.231 1.940 ( -0.563 1.929 -0.968) 2.231 2.418 ( 1.535 -13.624 5.356) 14.720 2.418 ( 1.535 13.624 5.356) 14.720 3.167 ( 7.738 -16.600 -3.962) 18.739 3.167 ( 7.738 16.600 -3.962) 18.739 3.351 ( 4.431 -5.756 2.411) 7.654 3.351 ( 4.431 5.756 2.411) 7.654 3.758 ( 11.595 -9.474 7.112) 16.577 3.758 ( 11.595 9.474 7.112) 16.577 3.861 ( 5.000 -3.447 -2.522) 6.576 3.861 ( 5.000 3.447 -2.522) 6.576 3.962 ( 11.063 -4.822 2.855) 12.401 3.962 ( 11.063 4.822 2.855) 12.401 4.321 ( 8.512 -4.585 3.696) 10.351 4.321 ( 8.512 4.585 3.696) 10.351 4.853 ( -7.800 -5.520 0.016) 9.556 4.853 ( -7.800 5.520 0.016) 9.556 5.481 ( -8.963 -4.830 4.193) 11.011 5.481 ( -8.963 4.830 4.193) 11.011 5.868 ( -17.501 -2.419 -8.090) 19.432 5.868 ( -17.501 2.419 -8.090) 19.432 6.341 ( -5.692 -7.764 7.647) 12.295 6.341 ( -5.692 7.764 7.647) 12.295 6.483 ( -6.050 -4.799 1.837) 7.937 6.483 ( -6.050 4.799 1.837) 7.937 7.021 ( -2.599 -1.038 -5.698) 6.348 7.021 ( -2.599 1.038 -5.698) 6.348 7.443 ( 6.176 -2.260 -7.359) 9.869 7.443 ( 6.176 2.260 -7.359) 9.869 7.707 ( 7.035 -2.819 -0.406) 7.589 7.707 ( 7.035 2.819 -0.406) 7.589 8.443 ( 24.447 -8.247 10.331) 27.792 8.443 ( 24.447 8.247 10.331) 27.792 8.939 ( 12.089 -5.506 -11.232) 17.396 8.939 ( 12.089 5.506 -11.232) 17.396 9.694 ( -0.496 -1.481 0.017) 1.562 9.694 ( -0.496 1.481 0.017) 1.562 10.160 ( -19.423 -1.945 0.714) 19.533 10.160 ( -19.423 1.945 0.714) 19.533 10.327 ( 8.900 -11.310 3.136) 14.730 10.327 ( 8.900 11.310 3.136) 14.730 10.629 ( 7.421 -10.534 0.619) 12.901 10.629 ( 7.421 10.534 0.619) 12.901 11.721 ( 12.855 -7.562 -3.165) 15.247 11.721 ( 12.855 7.562 -3.165) 15.247 12.570 ( -11.180 -1.923 -0.955) 11.385 12.570 ( -11.180 1.923 -0.955) 11.385 12.932 ( -0.385 -0.695 2.769) 2.880 12.932 ( -0.385 0.695 2.769) 2.880 13.874 ( -7.433 -8.297 -8.203) 13.834 13.874 ( -7.433 8.297 -8.203) 13.834 15.511 ( 0.682 -8.542 -1.013) 8.629 15.511 ( 0.682 8.542 -1.013) 8.629 16.943 ( -3.651 -5.885 -1.317) 7.050 16.943 ( -3.651 5.885 -1.317) 7.050 18.264 ( -7.924 -5.573 4.238) 10.574 18.264 ( -7.924 5.573 4.238) 10.574 18.774 ( -14.107 -12.249 -0.192) 18.684 18.774 ( -14.107 12.249 -0.192) 18.684 19.719 ( -17.261 -10.741 -7.890) 21.807 19.719 ( -17.261 10.741 -7.890) 21.807 20.847 ( -1.411 -1.278 -8.091) 8.312 20.847 ( -1.411 1.278 -8.091) 8.312 24.272 ( 6.240 -7.404 15.559) 18.326 24.272 ( 6.240 7.404 15.559) 18.326 24.964 ( -3.239 -2.889 -10.279) 11.158 24.964 ( -3.239 2.889 -10.279) 11.158 ======================= Grid point 204 (74/90) ======================= q-point: ( 0.33 -0.50 0.40) 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 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: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( 1.913 -6.395 0.495) 6.693 1.426 ( 1.913 6.395 0.495) 6.693 1.619 ( 1.599 -1.780 -2.405) 3.393 1.619 ( 1.599 1.780 -2.405) 3.393 1.916 ( -1.364 -1.304 -0.419) 1.933 1.916 ( -1.364 1.304 -0.419) 1.933 2.466 ( 2.785 -15.095 4.702) 16.053 2.466 ( 2.785 15.095 4.702) 16.053 3.290 ( 5.369 -20.711 -3.891) 21.746 3.290 ( 5.369 20.711 -3.891) 21.746 3.456 ( 5.645 -7.764 2.958) 10.045 3.456 ( 5.645 7.764 2.958) 10.045 3.786 ( -4.342 -6.962 0.145) 8.206 3.786 ( -4.342 6.962 0.145) 8.206 3.895 ( -0.749 -0.933 -0.772) 1.424 3.895 ( -0.749 0.933 -0.772) 1.424 4.222 ( 10.755 -1.767 0.941) 10.939 4.222 ( 10.755 1.767 0.941) 10.939 4.503 ( 7.006 -5.629 3.541) 9.660 4.503 ( 7.006 5.629 3.541) 9.660 4.679 ( -8.795 -4.006 -1.143) 9.731 4.679 ( -8.795 4.006 -1.143) 9.731 5.359 ( -2.316 -7.332 -1.450) 7.825 5.359 ( -2.316 7.332 -1.450) 7.825 5.707 ( 1.323 -7.865 -3.376) 8.660 5.707 ( 1.323 7.865 -3.376) 8.660 6.192 ( -9.363 -4.350 9.977) 14.357 6.192 ( -9.363 4.350 9.977) 14.357 6.443 ( 0.988 -9.031 0.159) 9.086 6.443 ( 0.988 9.031 0.159) 9.086 6.971 ( -2.468 -2.828 -5.938) 7.024 6.971 ( -2.468 2.828 -5.938) 7.024 7.563 ( 5.924 -3.491 -3.914) 7.912 7.563 ( 5.924 3.491 -3.914) 7.912 7.825 ( 5.021 -3.662 0.451) 6.231 7.825 ( 5.021 3.662 0.451) 6.231 8.867 ( 17.943 -7.619 5.051) 20.137 8.867 ( 17.943 7.619 5.051) 20.137 9.140 ( 8.862 -5.146 -3.674) 10.886 9.140 ( 8.862 5.146 -3.674) 10.886 9.637 ( -6.432 -2.370 1.891) 7.110 9.637 ( -6.432 2.370 1.891) 7.111 9.786 ( -15.776 -1.319 -1.531) 15.905 9.786 ( -15.776 1.319 -1.531) 15.905 10.562 ( 13.242 -11.024 5.817) 18.186 10.562 ( 13.242 11.024 5.817) 18.186 10.785 ( 7.619 -9.967 2.944) 12.886 10.785 ( 7.619 9.967 2.944) 12.886 11.908 ( 6.132 -8.854 -2.362) 11.025 11.908 ( 6.132 8.854 -2.362) 11.025 12.339 ( -11.791 -1.905 -3.766) 12.524 12.339 ( -11.791 1.905 -3.766) 12.524 12.968 ( 4.604 -0.815 -0.613) 4.716 12.968 ( 4.604 0.815 -0.613) 4.716 13.700 ( -10.202 -6.018 -8.199) 14.405 13.700 ( -10.202 6.018 -8.199) 14.405 15.523 ( 0.578 -12.433 -2.958) 12.794 15.523 ( 0.578 12.433 -2.958) 12.794 16.895 ( -1.344 -9.975 1.924) 10.248 16.895 ( -1.344 9.975 1.924) 10.248 18.005 ( -15.169 -4.851 4.014) 16.424 18.005 ( -15.169 4.851 4.014) 16.424 18.541 ( -11.564 -2.852 -8.052) 14.377 18.541 ( -11.564 2.852 -8.052) 14.377 19.480 ( -6.519 -9.074 -7.709) 13.575 19.480 ( -6.519 9.074 -7.709) 13.575 20.806 ( -2.418 -1.940 -2.508) 3.987 20.806 ( -2.418 1.940 -2.508) 3.987 24.391 ( 5.838 -4.609 7.336) 10.447 24.391 ( 5.838 4.609 7.336) 10.447 24.883 ( -4.860 -2.361 -6.707) 8.613 24.883 ( -4.860 2.361 -6.707) 8.613 ======================= Grid point 206 (75/90) ======================= q-point: ( 0.44 -0.50 0.40) 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 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: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.441 ( 0.004 -7.657 -2.174) 7.960 1.441 ( 0.004 7.657 -2.174) 7.960 1.661 ( 1.819 -7.012 -1.453) 7.388 1.661 ( 1.819 7.012 -1.453) 7.388 1.897 ( -0.540 -3.303 0.657) 3.411 1.897 ( -0.540 3.303 0.657) 3.411 2.505 ( 1.053 -15.374 4.502) 16.054 2.505 ( 1.053 15.374 4.502) 16.054 3.379 ( 3.378 -21.698 -3.939) 22.310 3.379 ( 3.378 21.698 -3.939) 22.310 3.565 ( 5.398 -8.379 0.862) 10.005 3.565 ( 5.398 8.379 0.862) 10.005 3.676 ( -5.931 -8.217 -4.023) 10.903 3.676 ( -5.931 8.217 -4.023) 10.903 3.843 ( -3.438 -2.357 -0.015) 4.168 3.843 ( -3.438 2.357 -0.015) 4.168 4.345 ( 3.668 -2.437 -1.151) 4.551 4.345 ( 3.668 2.437 -1.151) 4.551 4.485 ( -5.430 -2.791 -3.132) 6.862 4.485 ( -5.430 2.791 -3.132) 6.862 4.635 ( 2.016 -6.264 3.629) 7.515 4.635 ( 2.016 6.264 3.629) 7.515 5.411 ( 4.530 -12.174 0.161) 12.990 5.411 ( 4.530 12.174 0.161) 12.990 5.798 ( 5.502 -10.630 -1.591) 12.075 5.798 ( 5.502 10.630 -1.591) 12.075 6.005 ( -8.624 -2.633 10.099) 13.539 6.005 ( -8.624 2.633 10.099) 13.539 6.479 ( 1.772 -10.071 1.011) 10.276 6.479 ( 1.772 10.071 1.011) 10.276 6.931 ( -1.384 -6.481 -6.176) 9.059 6.931 ( -1.384 6.481 -6.176) 9.059 7.655 ( 2.894 -4.434 -2.227) 5.745 7.655 ( 2.894 4.434 -2.227) 5.745 7.895 ( 1.956 -3.921 1.272) 4.563 7.895 ( 1.956 3.921 1.272) 4.563 9.114 ( 8.252 -4.665 1.629) 9.618 9.114 ( 8.252 4.665 1.629) 9.618 9.264 ( 0.203 -5.688 3.207) 6.532 9.264 ( 0.203 5.688 3.207) 6.532 9.485 ( -1.597 -1.995 -0.987) 2.740 9.485 ( -1.597 1.995 -0.987) 2.740 9.595 ( -7.096 -2.911 -1.233) 7.768 9.595 ( -7.096 2.911 -1.233) 7.768 10.783 ( 7.951 -8.267 7.610) 13.765 10.783 ( 7.951 8.267 7.610) 13.765 10.886 ( 1.993 -8.519 6.808) 11.086 10.886 ( 1.993 8.519 6.808) 11.086 11.973 ( 1.495 -15.751 -3.349) 16.172 11.973 ( 1.495 15.751 -3.349) 16.172 12.151 ( -6.277 -6.832 -4.325) 10.236 12.151 ( -6.277 6.832 -4.325) 10.236 13.095 ( 6.538 -4.846 -6.787) 10.597 13.095 ( 6.538 4.846 -6.787) 10.597 13.507 ( -7.965 -4.262 -6.247) 10.983 13.507 ( -7.965 4.262 -6.247) 10.983 15.532 ( 0.286 -14.678 -4.584) 15.379 15.532 ( 0.286 14.678 -4.584) 15.379 16.883 ( -0.211 -13.983 5.694) 15.100 16.883 ( -0.211 13.983 5.694) 15.100 17.784 ( -6.228 -4.994 -2.690) 8.424 17.784 ( -6.228 4.994 -2.690) 8.424 18.349 ( -6.279 -4.586 -8.456) 11.488 18.349 ( -6.279 4.586 -8.456) 11.488 19.429 ( -0.402 -6.087 -6.926) 9.229 19.429 ( -0.402 6.087 -6.926) 9.229 20.768 ( -1.174 -2.377 0.485) 2.695 20.768 ( -1.174 2.377 0.485) 2.695 24.485 ( 3.182 -2.692 -0.325) 4.180 24.485 ( 3.182 2.692 -0.325) 4.180 24.796 ( -3.146 -2.579 -2.066) 4.562 24.796 ( -3.146 2.579 -2.066) 4.562 ======================= Grid point 225 (76/90) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( 0.000 0.000 -11.459) 11.459 1.432 ( 0.000 0.000 11.459) 11.459 1.695 ( 0.000 0.000 -6.799) 6.799 1.695 ( 0.000 0.000 6.799) 6.799 2.038 ( 0.000 0.000 -5.863) 5.863 2.038 ( 0.000 0.000 5.863) 5.863 2.045 ( 0.000 0.000 -2.435) 2.435 2.045 ( 0.000 0.000 2.435) 2.435 2.753 ( 0.000 0.000 -17.138) 17.138 2.753 ( 0.000 0.000 17.138) 17.138 3.271 ( 0.000 0.000 -6.218) 6.218 3.271 ( 0.000 0.000 6.218) 6.218 3.511 ( 0.000 0.000 -3.432) 3.432 3.511 ( 0.000 0.000 3.432) 3.432 3.602 ( 0.000 0.000 -4.679) 4.679 3.602 ( 0.000 0.000 4.679) 4.679 3.913 ( 0.000 0.000 -3.350) 3.350 3.913 ( 0.000 0.000 3.350) 3.350 4.196 ( 0.000 0.000 -6.006) 6.006 4.196 ( 0.000 0.000 6.006) 6.006 4.935 ( 0.000 0.000 -6.759) 6.759 4.935 ( 0.000 0.000 6.759) 6.759 6.097 ( 0.000 0.000 -15.327) 15.327 6.097 ( 0.000 0.000 15.327) 15.327 6.404 ( 0.000 0.000 -12.685) 12.685 6.404 ( 0.000 0.000 12.685) 12.685 6.566 ( 0.000 0.000 -2.476) 2.476 6.566 ( 0.000 0.000 2.476) 2.476 6.778 ( 0.000 0.000 -6.954) 6.954 6.778 ( 0.000 0.000 6.954) 6.954 6.889 ( 0.000 0.000 -14.808) 14.808 6.889 ( 0.000 0.000 14.808) 14.808 7.322 ( 0.000 0.000 -0.687) 0.687 7.322 ( 0.000 0.000 0.687) 0.687 7.364 ( 0.000 0.000 -8.395) 8.395 7.364 ( 0.000 0.000 8.395) 8.395 7.949 ( 0.000 0.000 -17.625) 17.625 7.949 ( 0.000 0.000 17.625) 17.625 8.399 ( 0.000 0.000 -20.985) 20.985 8.399 ( 0.000 0.000 20.985) 20.985 9.416 ( 0.000 0.000 -5.612) 5.612 9.416 ( 0.000 0.000 5.612) 5.612 10.203 ( 0.000 0.000 -1.549) 1.549 10.203 ( 0.000 0.000 1.549) 1.549 10.709 ( 0.000 0.000 -1.048) 1.048 10.709 ( 0.000 0.000 1.048) 1.048 10.924 ( 0.000 0.000 -6.669) 6.669 10.924 ( 0.000 0.000 6.669) 6.669 10.962 ( 0.000 0.000 -10.973) 10.973 10.962 ( 0.000 0.000 10.973) 10.973 12.735 ( 0.000 0.000 -1.950) 1.950 12.735 ( 0.000 0.000 1.950) 1.950 12.953 ( 0.000 0.000 -1.218) 1.218 12.953 ( 0.000 0.000 1.218) 1.218 14.192 ( 0.000 0.000 -14.271) 14.271 14.192 ( 0.000 0.000 14.271) 14.271 15.314 ( 0.000 0.000 -0.763) 0.763 15.314 ( 0.000 0.000 0.763) 0.763 16.982 ( 0.000 0.000 -1.537) 1.537 16.982 ( 0.000 0.000 1.537) 1.537 18.342 ( 0.000 0.000 -4.660) 4.660 18.342 ( 0.000 0.000 4.660) 4.660 19.344 ( 0.000 0.000 -19.485) 19.485 19.344 ( 0.000 0.000 19.485) 19.485 20.274 ( 0.000 0.000 -25.425) 25.425 20.274 ( 0.000 0.000 25.425) 25.425 20.595 ( 0.000 0.000 -5.727) 5.727 20.595 ( 0.000 0.000 5.727) 5.727 24.426 ( 0.000 0.000 -25.102) 25.102 24.426 ( 0.000 0.000 25.102) 25.102 24.812 ( 0.000 0.000 -16.076) 16.076 24.812 ( 0.000 0.000 16.076) 16.076 ======================= Grid point 227 (77/90) ======================= q-point: ( 0.11 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 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: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( 4.640 0.000 -10.380) 11.370 1.480 ( 4.640 0.000 10.380) 11.370 1.645 ( -4.495 0.000 -7.729) 8.941 1.645 ( -4.495 0.000 7.729) 8.941 2.000 ( -3.727 0.000 -1.145) 3.899 2.000 ( -3.727 0.000 1.145) 3.899 2.074 ( 2.769 0.000 -3.303) 4.310 2.074 ( 2.769 0.000 3.303) 4.310 2.870 ( 8.475 0.000 -13.431) 15.882 2.870 ( 8.475 0.000 13.431) 15.882 3.316 ( 7.438 0.000 -5.749) 9.401 3.316 ( 7.438 0.000 5.749) 9.401 3.554 ( 4.088 0.000 -0.262) 4.097 3.554 ( 4.088 0.000 0.262) 4.096 3.732 ( 10.549 0.000 -4.753) 11.570 3.732 ( 10.549 0.000 4.753) 11.570 3.917 ( 2.365 0.000 -0.824) 2.504 3.917 ( 2.365 0.000 0.824) 2.504 4.302 ( 9.216 0.000 -5.012) 10.491 4.302 ( 9.216 0.000 5.012) 10.491 4.908 ( -2.593 0.000 -6.451) 6.952 4.908 ( -2.593 0.000 6.451) 6.952 5.909 ( -16.706 0.000 -15.573) 22.839 5.909 ( -16.706 0.000 15.573) 22.839 6.111 ( -23.570 0.000 -12.692) 26.770 6.111 ( -23.570 0.000 12.692) 26.770 6.508 ( -7.755 0.000 -2.718) 8.217 6.508 ( -7.755 0.000 2.718) 8.217 6.763 ( -0.422 0.000 -10.411) 10.420 6.763 ( -0.422 0.000 10.411) 10.420 6.861 ( -2.263 0.000 -8.584) 8.877 6.861 ( -2.263 0.000 8.584) 8.877 7.402 ( 6.007 0.000 -3.683) 7.047 7.402 ( 6.007 0.000 3.683) 7.047 7.466 ( 7.745 0.000 -0.053) 7.745 7.466 ( 7.745 0.000 0.053) 7.745 8.113 ( 16.212 0.000 -17.966) 24.200 8.113 ( 16.212 0.000 17.966) 24.200 8.569 ( 15.129 0.000 -16.535) 22.412 8.569 ( 15.129 0.000 16.535) 22.412 9.535 ( 11.747 0.000 -5.169) 12.834 9.535 ( 11.747 0.000 5.169) 12.834 10.142 ( -5.824 0.000 -0.108) 5.825 10.142 ( -5.824 0.000 0.108) 5.825 10.551 ( -20.233 0.000 -0.183) 20.233 10.551 ( -20.233 0.000 0.183) 20.233 10.763 ( 5.092 0.000 -1.361) 5.270 10.763 ( 5.092 0.000 1.361) 5.270 11.308 ( 17.492 0.000 -2.717) 17.702 11.308 ( 17.492 0.000 2.717) 17.702 12.671 ( -6.211 0.000 -1.993) 6.523 12.671 ( -6.211 0.000 1.993) 6.523 12.953 ( -0.065 0.000 -0.747) 0.749 12.953 ( -0.065 0.000 0.747) 0.749 14.139 ( -5.388 0.000 -13.544) 14.576 14.139 ( -5.388 0.000 13.544) 14.576 15.338 ( 2.494 0.000 -0.000) 2.494 15.338 ( 2.494 0.000 0.000) 2.494 16.942 ( -4.013 0.000 -0.072) 4.014 16.942 ( -4.013 0.000 0.072) 4.014 18.369 ( 2.115 0.000 -4.406) 4.888 18.369 ( 2.115 0.000 4.406) 4.888 19.110 ( -22.125 0.000 -18.906) 29.103 19.110 ( -22.125 0.000 18.906) 29.103 20.190 ( -8.244 0.000 -22.720) 24.169 20.190 ( -8.244 0.000 22.720) 24.169 20.594 ( -0.355 0.000 -2.040) 2.071 20.594 ( -0.355 0.000 2.040) 2.071 24.451 ( 2.314 0.000 -23.154) 23.269 24.451 ( 2.314 0.000 23.154) 23.269 24.809 ( -0.423 0.000 -14.850) 14.856 24.809 ( -0.423 0.000 14.850) 14.856 ======================= Grid point 229 (78/90) ======================= q-point: ( 0.22 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 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: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( -5.201 0.000 -6.354) 8.211 1.528 ( -5.201 0.000 6.354) 8.211 1.614 ( 6.647 0.000 -4.839) 8.222 1.614 ( 6.647 0.000 4.839) 8.222 1.908 ( -5.085 0.000 -0.239) 5.091 1.908 ( -5.085 0.000 0.239) 5.091 2.144 ( 4.059 0.000 -2.581) 4.810 2.144 ( 4.059 0.000 2.581) 4.810 2.982 ( 4.074 0.000 -5.736) 7.035 2.982 ( 4.074 0.000 5.736) 7.035 3.523 ( 7.919 0.000 -5.832) 9.835 3.523 ( 7.919 0.000 5.832) 9.835 3.667 ( 7.206 0.000 -7.077) 10.100 3.667 ( 7.206 0.000 7.077) 10.100 3.912 ( 9.680 0.000 -2.051) 9.895 3.912 ( 9.680 0.000 2.051) 9.895 4.065 ( 10.670 0.000 -0.663) 10.691 4.065 ( 10.670 0.000 0.663) 10.691 4.490 ( 8.789 0.000 -5.329) 10.278 4.490 ( 8.789 0.000 5.329) 10.278 4.841 ( -4.273 0.000 -5.936) 7.314 4.841 ( -4.273 0.000 5.936) 7.314 5.530 ( -23.251 0.000 -13.751) 27.013 5.530 ( -23.251 0.000 13.751) 27.013 5.693 ( -12.485 0.000 -2.347) 12.703 5.693 ( -12.485 0.000 2.347) 12.703 6.340 ( -7.868 0.000 -4.546) 9.087 6.340 ( -7.868 0.000 4.546) 9.087 6.723 ( -4.863 0.000 -13.925) 14.750 6.723 ( -4.863 0.000 13.925) 14.750 6.841 ( 0.916 0.000 -0.421) 1.008 6.841 ( 0.916 0.000 0.421) 1.008 7.516 ( 5.396 0.000 -0.957) 5.480 7.516 ( 5.396 0.000 0.957) 5.480 7.610 ( 7.183 0.000 -2.110) 7.487 7.610 ( 7.183 0.000 2.110) 7.487 8.495 ( 20.857 0.000 -14.641) 25.482 8.495 ( 20.857 0.000 14.641) 25.482 8.894 ( 16.718 0.000 -8.773) 18.880 8.894 ( 16.718 0.000 8.773) 18.880 9.816 ( 13.309 0.000 -2.139) 13.479 9.816 ( 13.309 0.000 2.139) 13.479 9.994 ( -9.075 0.000 -3.247) 9.638 9.994 ( -9.075 0.000 3.247) 9.638 10.193 ( -13.466 0.000 -2.799) 13.753 10.193 ( -13.466 0.000 2.799) 13.753 10.885 ( 6.978 0.000 -1.928) 7.240 10.885 ( 6.978 0.000 1.928) 7.240 11.601 ( 11.720 0.000 -4.154) 12.435 11.601 ( 11.720 0.000 4.154) 12.435 12.523 ( -8.084 0.000 -1.161) 8.167 12.523 ( -8.084 0.000 1.161) 8.167 12.957 ( 0.960 0.000 -0.109) 0.967 12.957 ( 0.960 0.000 0.109) 0.967 13.988 ( -10.011 0.000 -11.761) 15.445 13.988 ( -10.011 0.000 11.761) 15.445 15.411 ( 5.094 0.000 -0.787) 5.155 15.411 ( 5.094 0.000 0.787) 5.155 16.830 ( -7.699 0.000 -2.311) 8.038 16.830 ( -7.699 0.000 2.311) 8.038 18.376 ( -2.959 0.000 -5.272) 6.046 18.376 ( -2.959 0.000 5.272) 6.046 18.590 ( -28.309 0.000 -14.942) 32.010 18.590 ( -28.309 0.000 14.942) 32.010 20.017 ( -7.408 0.000 -17.398) 18.909 20.017 ( -7.408 0.000 17.398) 18.909 20.563 ( -3.289 0.000 -0.073) 3.290 20.563 ( -3.289 0.000 0.073) 3.290 24.502 ( 2.560 0.000 -18.055) 18.235 24.502 ( 2.560 0.000 18.055) 18.235 24.789 ( -1.773 0.000 -11.818) 11.951 24.789 ( -1.773 0.000 11.818) 11.951 ======================= Grid point 231 (79/90) ======================= q-point: ( 0.33 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 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: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( -6.287 0.000 -7.489) 9.778 1.407 ( -6.287 0.000 7.489) 9.778 1.756 ( 5.601 0.000 -2.144) 5.998 1.756 ( 5.601 0.000 2.144) 5.998 1.833 ( -1.046 0.000 -0.555) 1.184 1.833 ( -1.046 0.000 0.556) 1.184 2.216 ( 3.088 0.000 -1.423) 3.400 2.216 ( 3.088 0.000 1.423) 3.400 3.071 ( 5.146 0.000 -1.976) 5.512 3.071 ( 5.146 0.000 1.976) 5.512 3.582 ( 0.172 0.000 -2.226) 2.232 3.582 ( 0.172 0.000 2.226) 2.232 3.752 ( 1.213 0.000 -6.171) 6.289 3.752 ( 1.213 0.000 6.171) 6.289 4.075 ( 2.361 0.000 -6.811) 7.208 4.075 ( 2.361 0.000 6.811) 7.208 4.262 ( 10.246 0.000 -0.052) 10.246 4.262 ( 10.246 0.000 0.052) 10.246 4.602 ( 3.286 0.000 -0.382) 3.308 4.602 ( 3.286 0.000 0.382) 3.308 4.754 ( -4.581 0.000 -1.286) 4.758 4.754 ( -4.581 0.000 1.286) 4.758 5.121 ( -15.762 0.000 -5.485) 16.689 5.121 ( -15.762 0.000 5.486) 16.689 5.670 ( 7.686 0.000 -6.853) 10.298 5.670 ( 7.686 0.000 6.853) 10.298 6.237 ( -2.635 0.000 -3.991) 4.782 6.237 ( -2.635 0.000 3.991) 4.782 6.583 ( -9.023 0.000 -11.748) 14.813 6.583 ( -9.023 0.000 11.748) 14.813 6.878 ( 2.358 0.000 -0.867) 2.512 6.878 ( 2.358 0.000 0.867) 2.512 7.610 ( 4.342 0.000 -0.104) 4.344 7.610 ( 4.342 0.000 0.104) 4.344 7.746 ( 6.701 0.000 -1.623) 6.895 7.746 ( 6.701 0.000 1.623) 6.895 8.864 ( 16.288 0.000 -9.099) 18.657 8.864 ( 16.288 0.000 9.099) 18.657 9.182 ( 12.729 0.000 -1.191) 12.785 9.182 ( 12.729 0.000 1.191) 12.785 9.735 ( -14.258 0.000 -2.586) 14.490 9.735 ( -14.258 0.000 2.586) 14.490 9.802 ( -10.380 0.000 -5.150) 11.588 9.802 ( -10.380 0.000 5.150) 11.588 10.317 ( 18.007 0.000 -7.032) 19.331 10.317 ( 18.007 0.000 7.032) 19.331 11.020 ( 6.526 0.000 -1.449) 6.685 11.020 ( 6.526 0.000 1.449) 6.685 11.718 ( -0.152 0.000 -2.509) 2.514 11.718 ( -0.152 0.000 2.509) 2.514 12.398 ( -4.178 0.000 -0.550) 4.214 12.398 ( -4.178 0.000 0.550) 4.214 13.015 ( 5.517 0.000 -1.475) 5.711 13.015 ( 5.517 0.000 1.475) 5.711 13.765 ( -12.442 0.000 -8.988) 15.349 13.765 ( -12.442 0.000 8.988) 15.349 15.536 ( 7.669 0.000 -2.446) 8.049 15.536 ( 7.669 0.000 2.446) 8.049 16.631 ( -12.901 0.000 -7.376) 14.861 16.631 ( -12.901 0.000 7.376) 14.861 18.083 ( -19.643 0.000 -9.580) 21.855 18.083 ( -19.643 0.000 9.580) 21.855 18.274 ( -8.864 0.000 -2.639) 9.249 18.274 ( -8.864 0.000 2.639) 9.249 19.962 ( 1.941 0.000 -10.281) 10.463 19.962 ( 1.941 0.000 10.281) 10.463 20.465 ( -6.596 0.000 -0.045) 6.596 20.465 ( -6.596 0.000 0.045) 6.596 24.544 ( 1.703 0.000 -11.129) 11.259 24.544 ( 1.703 0.000 11.129) 11.259 24.743 ( -2.679 0.000 -7.631) 8.088 24.743 ( -2.679 0.000 7.631) 8.088 ======================= Grid point 233 (80/90) ======================= q-point: ( 0.44 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 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: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( -2.831 0.000 -2.346) 3.677 1.312 ( -2.831 0.000 2.346) 3.677 1.762 ( -0.989 0.000 -0.044) 0.990 1.762 ( -0.989 0.000 0.044) 0.990 1.907 ( 3.679 0.000 -0.881) 3.783 1.907 ( 3.679 0.000 0.881) 3.783 2.257 ( 1.083 0.000 -0.225) 1.106 2.257 ( 1.083 0.000 0.225) 1.106 3.154 ( 2.581 0.000 -0.461) 2.622 3.154 ( 2.581 0.000 0.461) 2.622 3.580 ( 0.240 0.000 -0.229) 0.332 3.580 ( 0.240 0.000 0.229) 0.332 3.728 ( -2.610 0.000 -1.978) 3.275 3.728 ( -2.610 0.000 1.978) 3.275 4.036 ( -2.582 0.000 -5.060) 5.681 4.036 ( -2.582 0.000 5.060) 5.681 4.448 ( 8.643 0.000 -1.006) 8.701 4.448 ( 8.643 0.000 1.006) 8.701 4.627 ( -7.963 0.000 -2.110) 8.238 4.627 ( -7.963 0.000 2.110) 8.238 4.677 ( 3.802 0.000 -0.641) 3.856 4.677 ( 3.802 0.000 0.641) 3.856 4.936 ( -4.717 0.000 -0.222) 4.722 4.936 ( -4.717 0.000 0.222) 4.722 5.877 ( 10.154 0.000 -7.470) 12.606 5.877 ( 10.154 0.000 7.470) 12.606 6.203 ( -2.302 0.000 -0.564) 2.370 6.203 ( -2.302 0.000 0.564) 2.370 6.413 ( -6.391 0.000 -5.289) 8.295 6.413 ( -6.391 0.000 5.289) 8.295 6.916 ( 1.174 0.000 -0.298) 1.211 6.916 ( 1.174 0.000 0.298) 1.211 7.676 ( 2.028 0.000 -0.007) 2.028 7.676 ( 2.028 0.000 0.007) 2.028 7.849 ( 3.183 0.000 -0.289) 3.196 7.849 ( 3.183 0.000 0.289) 3.196 9.103 ( 7.683 0.000 -2.628) 8.120 9.103 ( 7.683 0.000 2.628) 8.120 9.394 ( 9.347 0.000 -0.919) 9.392 9.394 ( 9.347 0.000 0.919) 9.392 9.500 ( -8.031 0.000 0.000) 8.031 9.500 ( -8.031 0.000 0.000) 8.031 9.605 ( -9.549 0.000 -5.018) 10.787 9.605 ( -9.549 0.000 5.018) 10.787 10.616 ( 9.831 0.000 -2.970) 10.270 10.616 ( 9.831 0.000 2.970) 10.270 11.118 ( 2.987 0.000 -0.378) 3.011 11.118 ( 2.987 0.000 0.378) 3.011 11.649 ( -4.075 0.000 -0.108) 4.077 11.649 ( -4.075 0.000 0.108) 4.077 12.350 ( -1.232 0.000 -0.748) 1.441 12.350 ( -1.232 0.000 0.748) 1.441 13.159 ( 7.540 0.000 -0.001) 7.540 13.159 ( 7.540 0.000 0.001) 7.540 13.537 ( -9.427 0.000 -3.455) 10.040 13.537 ( -9.427 0.000 3.455) 10.040 15.687 ( 6.328 0.000 -1.369) 6.475 15.687 ( 6.328 0.000 1.369) 6.475 16.378 ( -10.020 0.000 -4.046) 10.806 16.378 ( -10.020 0.000 4.046) 10.806 17.840 ( -5.671 0.000 -0.694) 5.713 17.840 ( -5.671 0.000 0.694) 5.713 18.123 ( -5.013 0.000 -0.834) 5.082 18.123 ( -5.013 0.000 0.834) 5.082 20.054 ( 5.512 0.000 -2.108) 5.901 20.054 ( 5.512 0.000 2.108) 5.901 20.327 ( -6.269 0.000 -0.193) 6.272 20.327 ( -6.269 0.000 0.193) 6.272 24.568 ( 0.758 0.000 -2.931) 3.027 24.568 ( 0.758 0.000 2.931) 3.027 24.698 ( -1.502 0.000 -1.797) 2.342 24.698 ( -1.502 0.000 1.797) 2.342 ======================= Grid point 243 (81/90) ======================= q-point: ( 0.00 0.25 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( 0.000 -5.153 -5.568) 7.586 1.363 ( 0.000 -5.153 5.568) 7.586 1.674 ( 0.000 0.532 -4.944) 4.972 1.674 ( 0.000 0.532 4.944) 4.972 1.927 ( 0.000 -5.038 -2.788) 5.758 1.927 ( 0.000 -5.038 2.788) 5.758 2.318 ( 0.000 16.207 -5.121) 16.996 2.318 ( 0.000 16.207 5.121) 16.996 2.867 ( 0.000 7.499 -14.275) 16.125 2.867 ( 0.000 7.499 14.275) 16.125 3.243 ( 0.000 -1.534 -4.876) 5.112 3.243 ( 0.000 -1.534 4.876) 5.112 3.428 ( 0.000 -5.495 -3.632) 6.587 3.428 ( 0.000 -5.495 3.632) 6.587 3.617 ( 0.000 0.677 -2.388) 2.483 3.617 ( 0.000 0.677 2.388) 2.483 3.839 ( 0.000 -7.101 -2.104) 7.406 3.839 ( 0.000 -7.101 2.104) 7.406 4.229 ( 0.000 2.782 -2.415) 3.685 4.229 ( 0.000 2.782 2.415) 3.685 4.944 ( 0.000 0.698 -4.587) 4.640 4.944 ( 0.000 0.698 4.587) 4.640 6.099 ( 0.000 -0.069 -9.246) 9.246 6.099 ( 0.000 -0.069 9.246) 9.246 6.390 ( 0.000 -2.598 -5.611) 6.183 6.390 ( 0.000 -2.598 5.611) 6.183 6.512 ( 0.000 -0.690 -1.051) 1.257 6.512 ( 0.000 -0.690 1.051) 1.257 6.859 ( 0.000 4.001 -8.368) 9.275 6.859 ( 0.000 4.001 8.368) 9.275 6.905 ( 0.000 1.942 -10.719) 10.893 6.905 ( 0.000 1.942 10.719) 10.893 7.236 ( 0.000 -4.548 -2.336) 5.112 7.236 ( 0.000 -4.548 2.336) 5.112 7.408 ( 0.000 1.338 -1.620) 2.101 7.408 ( 0.000 1.338 1.620) 2.101 7.993 ( 0.000 4.005 -18.962) 19.381 7.993 ( 0.000 4.005 18.962) 19.381 8.301 ( 0.000 -7.754 -21.375) 22.738 8.301 ( 0.000 -7.754 21.375) 22.738 9.533 ( 0.000 8.869 -3.526) 9.544 9.533 ( 0.000 8.869 3.526) 9.544 10.167 ( 0.000 -2.388 -0.996) 2.588 10.167 ( 0.000 -2.388 0.996) 2.588 10.561 ( 0.000 -11.206 -0.073) 11.207 10.561 ( 0.000 -11.206 0.073) 11.207 10.926 ( 0.000 4.389 -5.371) 6.936 10.926 ( 0.000 4.389 5.371) 6.936 11.067 ( 0.000 2.939 -2.507) 3.863 11.067 ( 0.000 2.939 2.507) 3.863 12.777 ( 0.000 3.323 -1.990) 3.874 12.777 ( 0.000 3.323 1.990) 3.874 12.983 ( 0.000 2.147 -0.763) 2.279 12.983 ( 0.000 2.147 0.763) 2.279 14.062 ( 0.000 -9.209 -9.964) 13.568 14.062 ( 0.000 -9.209 9.964) 13.568 15.413 ( 0.000 6.711 -0.012) 6.711 15.413 ( 0.000 6.711 0.012) 6.711 17.009 ( 0.000 2.034 -0.809) 2.189 17.009 ( 0.000 2.034 0.809) 2.189 18.293 ( 0.000 -3.628 -3.374) 4.955 18.293 ( 0.000 -3.628 3.374) 4.955 19.340 ( 0.000 -0.212 -13.823) 13.825 19.340 ( 0.000 -0.212 13.823) 13.825 20.293 ( 0.000 1.420 -19.583) 19.635 20.293 ( 0.000 1.420 19.583) 19.635 20.567 ( 0.000 -2.127 -5.324) 5.733 20.567 ( 0.000 -2.127 5.324) 5.733 24.435 ( 0.000 0.653 -18.194) 18.206 24.435 ( 0.000 0.653 18.194) 18.206 24.806 ( 0.000 -0.411 -11.834) 11.841 24.806 ( 0.000 -0.411 11.834) 11.841 ======================= Grid point 245 (82/90) ======================= q-point: ( 0.11 0.25 -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 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| 1.331 ( 0.715 -5.275 0.000) 5.324 1.443 ( 2.601 -8.482 0.000) 8.871 1.631 ( -0.312 2.443 0.000) 2.463 1.666 ( -2.372 0.387 -0.000) 2.403 1.931 ( -0.106 -2.950 0.000) 2.952 1.955 ( 2.398 -3.791 0.000) 4.485 2.210 ( -7.258 15.113 0.000) 16.766 2.385 ( 4.002 16.180 0.000) 16.668 2.902 ( 2.355 0.981 0.000) 2.551 2.992 ( 8.911 7.928 -0.000) 11.927 3.341 ( 10.133 -1.471 -0.000) 10.239 3.355 ( 9.930 4.528 0.000) 10.914 3.451 ( 5.370 -4.104 0.000) 6.759 3.495 ( 7.208 -5.143 0.000) 8.854 3.684 ( 7.120 0.552 -0.000) 7.142 3.755 ( 9.287 -0.524 0.000) 9.301 3.860 ( 6.429 -5.859 0.000) 8.699 3.916 ( 3.630 -2.623 0.000) 4.479 4.236 ( 5.875 -1.498 0.000) 6.063 4.330 ( 5.995 -0.488 0.000) 6.015 4.901 ( -3.674 0.989 0.000) 3.805 4.940 ( -1.199 0.840 0.000) 1.464 5.907 ( -16.704 0.115 -0.000) 16.704 5.917 ( -16.856 0.140 0.000) 16.857 6.099 ( -21.381 -0.169 0.000) 21.381 6.132 ( -24.588 1.617 -0.000) 24.641 6.413 ( -2.967 -3.155 0.000) 4.331 6.589 ( -2.665 -2.013 0.000) 3.339 6.686 ( -9.131 1.288 0.000) 9.221 6.797 ( -7.264 1.014 -0.000) 7.334 6.883 ( -1.133 3.189 0.000) 3.384 6.945 ( -0.032 2.961 0.000) 2.961 7.270 ( 4.942 -5.925 -0.000) 7.715 7.304 ( 6.959 -6.799 0.000) 9.729 7.514 ( 7.994 2.814 0.000) 8.475 7.540 ( 8.385 1.944 0.000) 8.608 8.164 ( 16.343 5.192 -0.000) 17.148 8.174 ( 17.052 4.639 0.000) 17.672 8.477 ( 15.806 -7.096 0.000) 17.325 8.496 ( 17.011 -6.379 -0.000) 18.168 9.566 ( 5.943 4.929 0.000) 7.721 9.652 ( 8.221 5.507 0.000) 9.895 10.123 ( -1.842 1.231 0.000) 2.216 10.182 ( 0.023 1.705 0.000) 1.705 10.463 ( -10.936 -4.185 0.000) 11.709 10.612 ( -15.108 -2.924 0.000) 15.389 10.635 ( -5.695 -3.631 0.000) 6.754 10.727 ( 0.478 -5.185 0.000) 5.207 11.266 ( 16.572 4.085 0.000) 17.068 11.436 ( 17.487 2.625 0.000) 17.683 12.689 ( -7.317 3.092 0.000) 7.943 12.736 ( -5.636 3.328 0.000) 6.545 12.954 ( -1.472 1.472 0.000) 2.082 12.990 ( -0.302 1.453 0.000) 1.484 14.015 ( -4.588 -8.268 -0.000) 9.456 14.019 ( -4.688 -9.181 0.000) 10.308 15.366 ( -1.901 6.220 0.000) 6.504 15.486 ( 4.466 5.660 0.000) 7.210 16.933 ( -5.815 1.871 0.000) 6.109 17.002 ( -1.890 2.111 0.000) 2.834 18.301 ( 1.129 -3.122 0.000) 3.320 18.358 ( 4.596 -2.855 0.000) 5.411 19.107 ( -20.997 1.988 -0.000) 21.091 19.169 ( -18.161 2.364 0.000) 18.314 20.058 ( -15.710 -4.840 0.000) 16.439 20.173 ( -14.593 -7.531 0.000) 16.421 20.564 ( 3.662 4.562 0.000) 5.850 20.700 ( 4.859 2.158 0.000) 5.317 24.441 ( 1.357 0.010 0.000) 1.358 24.462 ( 1.657 -0.002 -0.000) 1.657 24.802 ( 0.149 0.121 0.000) 0.192 24.819 ( 0.316 0.111 -0.000) 0.335 ======================= Grid point 247 (83/90) ======================= q-point: ( 0.22 0.25 -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 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| 1.395 ( 5.482 -5.836 0.000) 8.007 1.432 ( -1.590 -5.444 0.000) 5.672 1.587 ( -5.566 1.294 0.000) 5.715 1.705 ( 4.988 -3.291 0.000) 5.976 1.913 ( -1.303 0.156 0.000) 1.312 1.982 ( -1.057 -3.087 0.000) 3.263 2.095 ( -1.819 17.200 0.000) 17.295 2.479 ( 5.347 15.424 0.000) 16.325 2.932 ( 1.419 -1.802 0.000) 2.293 3.135 ( 6.118 10.069 0.000) 11.782 3.491 ( 5.821 -9.553 0.000) 11.187 3.506 ( 4.978 -2.813 0.000) 5.717 3.668 ( 9.127 5.302 0.000) 10.555 3.715 ( 10.146 4.138 -0.000) 10.957 3.855 ( 12.044 1.981 0.000) 12.206 3.919 ( 7.504 -6.157 0.000) 9.706 4.009 ( 8.929 2.354 0.000) 9.234 4.047 ( 9.424 -5.571 0.000) 10.948 4.430 ( 11.136 -4.725 -0.000) 12.096 4.451 ( 6.718 -4.118 0.000) 7.879 4.797 ( -7.049 -0.066 0.000) 7.049 4.890 ( -4.579 0.288 0.000) 4.588 5.521 ( -22.428 1.071 0.000) 22.454 5.580 ( -14.803 -0.256 0.000) 14.805 5.668 ( -19.794 3.543 0.000) 20.108 5.745 ( -9.413 1.720 0.000) 9.569 6.337 ( -3.567 0.499 0.000) 3.601 6.415 ( -10.527 5.641 0.000) 11.943 6.633 ( -9.279 -3.256 0.000) 9.834 6.640 ( 0.838 -11.190 0.000) 11.221 6.844 ( -2.899 5.323 0.000) 6.061 6.936 ( -0.464 2.081 0.000) 2.132 7.390 ( 6.595 -4.277 -0.000) 7.861 7.455 ( 8.082 -6.427 0.000) 10.326 7.654 ( 6.193 4.189 -0.000) 7.476 7.692 ( 7.455 2.259 0.000) 7.790 8.548 ( 19.220 4.067 -0.000) 19.645 8.549 ( 21.341 5.354 0.000) 22.003 8.802 ( 15.833 -5.884 0.000) 16.891 8.863 ( 19.146 -4.640 -0.000) 19.701 9.705 ( 5.415 -3.615 0.000) 6.510 9.765 ( 1.289 -4.166 0.000) 4.361 10.117 ( -3.567 8.778 -0.000) 9.475 10.124 ( -19.052 2.255 0.000) 19.185 10.222 ( -12.548 0.653 0.000) 12.565 10.252 ( 8.583 11.582 -0.000) 14.416 10.702 ( 7.707 -10.500 0.000) 13.025 10.863 ( 8.130 -7.409 0.000) 10.999 11.550 ( 11.940 3.427 0.000) 12.422 11.733 ( 12.627 3.036 0.000) 12.987 12.510 ( -10.392 1.274 0.000) 10.470 12.578 ( -9.735 1.495 0.000) 9.849 12.935 ( -0.154 0.219 0.000) 0.267 12.984 ( 0.100 0.387 0.000) 0.400 13.879 ( -9.613 -8.106 -0.000) 12.575 13.888 ( -8.314 -6.756 0.000) 10.713 15.339 ( -0.792 3.936 0.000) 4.015 15.587 ( 5.984 2.569 0.000) 6.512 16.800 ( -7.525 3.785 0.000) 8.424 16.953 ( -3.005 3.722 0.000) 4.783 18.280 ( -4.846 -2.602 0.000) 5.500 18.409 ( -3.044 -2.365 0.000) 3.854 18.619 ( -24.722 6.639 0.000) 25.598 18.720 ( -25.210 6.711 0.000) 26.088 19.750 ( -14.077 -12.278 0.000) 18.679 19.893 ( -11.992 -15.656 0.000) 19.721 20.606 ( 0.348 8.966 0.000) 8.973 20.746 ( 0.132 5.795 0.000) 5.797 24.480 ( 2.332 -1.251 0.000) 2.646 24.487 ( 0.824 -1.267 -0.000) 1.511 24.804 ( -0.171 1.150 0.000) 1.163 24.807 ( -1.749 1.131 -0.000) 2.082 ======================= Grid point 249 (84/90) ======================= q-point: ( 0.33 0.25 -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 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| 1.410 ( -6.411 0.754 0.000) 6.455 1.425 ( 0.828 0.476 -0.000) 0.955 1.585 ( 8.068 -3.140 0.000) 8.657 1.706 ( -4.697 -5.834 0.000) 7.489 1.890 ( -1.291 0.993 0.000) 1.629 1.990 ( 3.184 -4.286 0.000) 5.339 2.132 ( 3.755 16.856 0.000) 17.269 2.572 ( 3.915 15.304 0.000) 15.797 2.968 ( 2.220 -2.188 0.000) 3.117 3.248 ( 5.169 11.123 0.000) 12.266 3.568 ( 1.412 -0.817 -0.000) 1.631 3.580 ( 3.856 -4.625 0.000) 6.022 3.709 ( -1.874 -0.746 0.000) 2.017 3.831 ( 2.534 3.392 0.000) 4.234 3.974 ( -2.708 -6.560 0.000) 7.097 3.992 ( -0.988 -8.247 0.000) 8.305 4.205 ( 7.577 -2.757 0.000) 8.063 4.254 ( 12.446 -0.355 0.000) 12.451 4.544 ( -1.139 -2.083 0.000) 2.375 4.575 ( 4.193 -0.727 0.000) 4.256 4.673 ( -3.469 -4.945 0.000) 6.040 4.765 ( -6.213 -2.404 0.000) 6.662 5.169 ( -11.464 7.510 0.000) 13.705 5.346 ( -6.817 12.335 0.000) 14.093 5.560 ( 6.852 -4.284 0.000) 8.081 5.747 ( 7.147 1.032 0.000) 7.221 6.248 ( -6.384 2.652 0.000) 6.913 6.306 ( 0.359 4.156 0.000) 4.172 6.426 ( -12.371 -5.815 0.000) 13.670 6.664 ( 0.931 -9.563 0.000) 9.609 6.778 ( -3.438 5.207 0.000) 6.240 6.934 ( 0.332 0.097 0.000) 0.346 7.511 ( 5.718 -2.278 -0.000) 6.156 7.609 ( 7.486 -5.678 0.000) 9.396 7.755 ( 4.257 5.245 0.000) 6.755 7.828 ( 6.296 2.037 0.000) 6.618 8.872 ( 13.727 1.916 -0.000) 13.860 8.936 ( 17.325 5.362 0.000) 18.136 9.063 ( 11.479 -6.307 0.000) 13.097 9.197 ( 14.726 -2.820 0.000) 14.993 9.699 ( -8.680 -2.023 0.000) 8.913 9.701 ( -5.179 -2.967 -0.000) 5.969 9.772 ( -14.251 -2.191 -0.000) 14.419 9.775 ( -18.247 -0.928 0.000) 18.270 10.404 ( 16.528 8.633 0.000) 18.646 10.504 ( 14.738 12.992 0.000) 19.647 10.873 ( 9.193 -9.004 0.000) 12.868 11.011 ( 6.786 -5.308 0.000) 8.615 11.687 ( 1.320 5.160 0.000) 5.326 11.889 ( 2.593 6.762 0.000) 7.242 12.330 ( -6.986 -2.925 0.000) 7.574 12.405 ( -7.023 -3.907 0.000) 8.037 12.970 ( 4.537 -2.177 0.000) 5.032 13.011 ( 3.010 -1.306 0.000) 3.281 13.655 ( -13.060 -6.255 0.000) 14.480 13.706 ( -9.954 -5.082 0.000) 11.177 15.335 ( 0.210 0.263 0.000) 0.337 15.715 ( 6.997 -4.519 0.000) 8.329 16.648 ( -8.083 12.662 0.000) 15.022 16.882 ( -4.427 9.442 0.000) 10.429 18.042 ( -22.877 1.413 0.000) 22.921 18.087 ( -13.197 -3.978 0.000) 13.784 18.305 ( -16.258 8.675 0.000) 18.428 18.398 ( -7.358 4.418 0.000) 8.583 19.574 ( -3.722 -18.106 0.000) 18.485 19.751 ( -2.900 -21.427 0.000) 21.622 20.587 ( -1.922 12.864 0.000) 13.006 20.722 ( -2.087 8.919 0.000) 9.160 24.493 ( -0.161 -2.095 0.000) 2.101 24.524 ( 2.142 -2.717 0.000) 3.460 24.755 ( -3.270 2.377 0.000) 4.043 24.793 ( -0.921 1.762 0.000) 1.989 ======================= Grid point 251 (85/90) ======================= q-point: ( 0.44 0.25 -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 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| 1.301 ( -3.343 2.840 0.000) 4.386 1.450 ( 1.208 7.584 0.000) 7.679 1.613 ( -3.334 -7.446 0.000) 8.158 1.747 ( 7.132 -2.539 0.000) 7.570 1.851 ( -3.068 0.246 0.000) 3.077 2.045 ( 1.605 -7.453 0.000) 7.624 2.202 ( 2.481 16.354 0.000) 16.541 2.624 ( 1.355 15.532 0.000) 15.591 3.005 ( 1.157 -2.870 0.000) 3.095 3.312 ( 1.499 9.437 0.000) 9.555 3.572 ( -0.187 1.685 0.000) 1.696 3.642 ( -3.368 -3.764 0.000) 5.051 3.685 ( 6.393 2.347 0.000) 6.810 3.792 ( -4.966 -0.360 0.000) 4.979 3.904 ( -6.285 -10.707 0.000) 12.415 3.908 ( -0.915 -8.428 -0.000) 8.478 4.341 ( 6.292 -3.653 0.000) 7.276 4.422 ( 4.255 -7.694 0.000) 8.792 4.483 ( -1.665 -1.835 0.000) 2.478 4.530 ( -5.239 -4.630 0.000) 6.991 4.679 ( -2.938 0.992 0.000) 3.101 4.711 ( 2.960 -3.675 0.000) 4.719 5.059 ( -1.742 16.533 0.000) 16.625 5.302 ( -0.007 18.373 0.000) 18.373 5.807 ( 16.360 -6.467 0.000) 17.592 5.904 ( 6.015 -1.158 -0.000) 6.125 6.135 ( -16.375 -5.467 0.000) 17.264 6.167 ( -1.998 -1.277 0.000) 2.371 6.343 ( 1.426 5.139 0.000) 5.333 6.652 ( -1.641 7.884 0.000) 8.053 6.739 ( -0.416 -8.781 0.000) 8.791 6.944 ( 0.401 -1.751 0.000) 1.797 7.598 ( 2.634 -0.991 0.000) 2.814 7.724 ( 3.608 -5.623 0.000) 6.681 7.814 ( 1.672 5.790 0.000) 6.026 7.921 ( 2.783 1.354 0.000) 3.095 9.082 ( 7.699 0.725 -0.000) 7.733 9.169 ( 6.691 2.630 0.000) 7.190 9.283 ( 10.145 -4.638 0.000) 11.155 9.415 ( 2.774 -4.061 0.000) 4.918 9.473 ( -3.408 0.220 0.000) 3.415 9.483 ( -9.655 -1.660 0.000) 9.796 9.574 ( -7.391 -0.493 0.000) 7.408 9.607 ( -7.209 -1.297 0.000) 7.325 10.691 ( 9.955 6.756 0.000) 12.031 10.737 ( 7.374 9.542 0.000) 12.059 11.021 ( 4.824 -6.183 0.000) 7.843 11.108 ( 2.770 -4.010 0.000) 4.874 11.631 ( -4.234 7.247 0.000) 8.393 11.865 ( -2.538 11.075 0.000) 11.362 12.253 ( -1.522 -5.853 0.000) 6.048 12.316 ( -2.403 -8.459 0.000) 8.794 13.088 ( 3.586 -3.728 0.000) 5.173 13.123 ( 10.444 -7.517 0.000) 12.868 13.394 ( -13.069 -2.386 0.000) 13.285 13.537 ( -5.982 -3.463 0.000) 6.912 15.342 ( 0.316 -2.963 0.000) 2.980 15.837 ( 4.397 -16.981 0.000) 17.541 16.507 ( -5.106 29.752 0.000) 30.187 16.797 ( -3.212 16.763 0.000) 17.068 17.725 ( -8.619 -1.635 0.000) 8.772 17.904 ( -4.179 -8.142 0.000) 9.152 18.074 ( -7.138 9.805 0.000) 12.128 18.266 ( -4.465 3.861 0.000) 5.902 19.559 ( 0.547 -20.815 0.000) 20.822 19.739 ( 0.416 -25.079 0.000) 25.082 20.551 ( -1.216 16.302 0.000) 16.347 20.685 ( -1.259 11.339 0.000) 11.409 24.487 ( -0.229 -2.407 0.000) 2.418 24.559 ( 1.280 -4.851 0.000) 5.017 24.697 ( -2.084 4.375 0.000) 4.846 24.776 ( -0.558 1.939 0.000) 2.018 ======================= Grid point 261 (86/90) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( 0.000 -0.000 0.000) 0.000 1.295 ( 0.000 0.000 0.000) 0.000 1.698 ( 0.000 0.000 0.000) 0.000 1.698 ( 0.000 -0.000 0.000) 0.000 1.853 ( 0.000 0.000 0.000) 0.000 1.853 ( 0.000 0.000 0.000) 0.000 2.571 ( 0.000 0.000 -0.000) 0.000 2.571 ( 0.000 0.000 0.000) 0.000 2.895 ( 0.000 -0.000 0.000) 0.000 2.895 ( 0.000 -0.000 0.000) 0.000 3.271 ( 0.000 0.000 0.000) 0.000 3.271 ( 0.000 0.000 0.000) 0.000 3.379 ( 0.000 0.000 0.000) 0.000 3.379 ( 0.000 0.000 0.000) 0.000 3.590 ( 0.000 -0.000 -0.000) 0.000 3.590 ( 0.000 0.000 0.000) 0.000 3.727 ( 0.000 0.000 0.000) 0.000 3.727 ( 0.000 0.000 0.000) 0.000 4.269 ( 0.000 0.000 0.000) 0.000 4.269 ( 0.000 0.000 0.000) 0.000 4.954 ( 0.000 -0.000 0.000) 0.000 4.954 ( 0.000 0.000 0.000) 0.000 6.094 ( 0.000 0.000 0.000) 0.000 6.094 ( 0.000 0.000 0.000) 0.000 6.346 ( 0.000 -0.000 0.000) 0.000 6.346 ( 0.000 0.000 0.000) 0.000 6.524 ( 0.000 -0.000 -0.000) 0.000 6.524 ( 0.000 0.000 0.000) 0.000 6.892 ( 0.000 0.000 0.000) 0.000 6.892 ( 0.000 -0.000 0.000) 0.000 6.948 ( 0.000 0.000 -0.000) 0.000 6.948 ( 0.000 0.000 -0.000) 0.000 7.178 ( 0.000 0.000 0.000) 0.000 7.178 ( 0.000 -0.000 0.000) 0.000 7.419 ( 0.000 0.000 0.000) 0.000 7.419 ( 0.000 -0.000 0.000) 0.000 8.094 ( 0.000 0.000 -0.000) 0.000 8.094 ( 0.000 0.000 0.000) 0.000 8.151 ( 0.000 -0.000 -0.000) 0.000 8.151 ( 0.000 -0.000 0.000) 0.000 9.665 ( 0.000 -0.000 0.000) 0.000 9.665 ( 0.000 0.000 0.000) 0.000 10.137 ( 0.000 0.000 0.000) 0.000 10.137 ( 0.000 0.000 0.000) 0.000 10.402 ( 0.000 -0.000 0.000) 0.000 10.402 ( 0.000 0.000 0.000) 0.000 11.005 ( 0.000 0.000 0.000) 0.000 11.005 ( 0.000 0.000 0.000) 0.000 11.077 ( 0.000 0.000 0.000) 0.000 11.077 ( 0.000 0.000 0.000) 0.000 12.827 ( 0.000 -0.000 0.000) 0.000 12.827 ( 0.000 0.000 0.000) 0.000 13.012 ( 0.000 0.000 0.000) 0.000 13.012 ( 0.000 0.000 0.000) 0.000 13.938 ( 0.000 -0.000 0.000) 0.000 13.938 ( 0.000 0.000 0.000) 0.000 15.499 ( 0.000 -0.000 0.000) 0.000 15.499 ( 0.000 0.000 0.000) 0.000 17.038 ( 0.000 -0.000 0.000) 0.000 17.038 ( 0.000 0.000 0.000) 0.000 18.243 ( 0.000 -0.000 0.000) 0.000 18.243 ( 0.000 0.000 0.000) 0.000 19.338 ( 0.000 -0.000 0.000) 0.000 19.338 ( 0.000 0.000 0.000) 0.000 20.313 ( 0.000 0.000 0.000) 0.000 20.313 ( 0.000 0.000 0.000) 0.000 20.537 ( 0.000 0.000 0.000) 0.000 20.537 ( 0.000 0.000 0.000) 0.000 24.444 ( 0.000 0.000 0.000) 0.000 24.444 ( 0.000 -0.000 0.000) 0.000 24.801 ( 0.000 0.000 -0.000) 0.000 24.801 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 265 (87/90) ======================= q-point: ( 0.11 -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 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: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( 1.082 -3.045 0.000) 3.232 1.303 ( 1.082 3.045 0.000) 3.232 1.668 ( -2.293 -0.615 0.000) 2.374 1.668 ( -2.293 0.615 0.000) 2.374 1.898 ( 3.337 -0.618 0.000) 3.393 1.898 ( 3.337 0.618 0.000) 3.393 2.522 ( -3.784 -9.014 0.000) 9.776 2.522 ( -3.784 9.014 0.000) 9.776 2.965 ( 6.726 -9.869 0.000) 11.943 2.965 ( 6.726 9.869 0.000) 11.943 3.327 ( 1.295 -6.300 0.000) 6.432 3.327 ( 1.295 6.300 0.000) 6.432 3.505 ( 17.250 -0.661 0.000) 17.263 3.505 ( 17.250 0.661 0.000) 17.263 3.728 ( 7.440 -2.259 0.000) 7.776 3.728 ( 7.440 2.259 0.000) 7.776 3.777 ( 8.108 -4.247 -0.000) 9.153 3.777 ( 8.108 4.247 0.000) 9.153 4.278 ( 1.334 -3.741 0.000) 3.972 4.278 ( 1.334 3.741 0.000) 3.972 4.933 ( -2.368 -1.319 0.000) 2.711 4.933 ( -2.368 1.319 0.000) 2.711 5.913 ( -16.778 -0.372 0.000) 16.782 5.913 ( -16.778 0.372 0.000) 16.782 6.126 ( -20.203 -2.199 0.000) 20.322 6.126 ( -20.203 2.199 0.000) 20.322 6.451 ( -3.841 -6.530 0.000) 7.575 6.451 ( -3.841 6.530 0.000) 7.575 6.781 ( -11.162 -3.241 0.000) 11.623 6.781 ( -11.162 3.241 0.000) 11.623 6.950 ( -0.149 -2.239 0.000) 2.244 6.950 ( -0.149 2.239 -0.000) 2.244 7.208 ( 6.165 -0.968 0.000) 6.241 7.208 ( 6.165 0.968 0.000) 6.241 7.551 ( 8.676 -0.710 0.000) 8.705 7.551 ( 8.676 0.710 0.000) 8.705 8.280 ( 16.960 -1.095 0.000) 16.995 8.280 ( 16.960 1.095 0.000) 16.995 8.352 ( 17.730 -2.235 0.000) 17.870 8.352 ( 17.730 2.235 -0.000) 17.870 9.676 ( 1.028 -3.449 0.000) 3.599 9.676 ( 1.028 3.449 0.000) 3.599 10.193 ( 5.847 -3.443 0.000) 6.786 10.193 ( 5.847 3.443 0.000) 6.786 10.434 ( 0.918 -6.700 0.000) 6.763 10.434 ( 0.918 6.700 0.000) 6.763 10.658 ( -17.361 -3.120 0.000) 17.640 10.658 ( -17.361 3.120 0.000) 17.640 11.396 ( 16.691 -5.622 0.000) 17.612 11.396 ( 16.691 5.622 0.000) 17.612 12.759 ( -7.116 -1.865 0.000) 7.356 12.759 ( -7.116 1.865 0.000) 7.356 12.993 ( -1.562 -1.323 0.000) 2.047 12.993 ( -1.562 1.323 0.000) 2.047 13.900 ( -3.936 -0.289 0.000) 3.947 13.900 ( -3.936 0.289 0.000) 3.947 15.501 ( 0.131 -4.153 0.000) 4.155 15.501 ( 0.131 4.153 0.000) 4.155 16.996 ( -3.626 -2.665 0.000) 4.500 16.996 ( -3.626 2.665 0.000) 4.500 18.288 ( 3.636 -2.238 0.000) 4.269 18.288 ( 3.636 2.238 0.000) 4.269 19.170 ( -16.365 -2.485 0.000) 16.553 19.170 ( -16.365 2.485 0.000) 16.553 20.031 ( -20.865 -3.121 0.000) 21.098 20.031 ( -20.865 3.121 0.000) 21.098 20.676 ( 7.141 -4.047 0.000) 8.208 20.676 ( 7.141 4.047 0.000) 8.208 24.451 ( 0.704 -0.733 0.000) 1.017 24.451 ( 0.704 0.733 0.000) 1.017 24.812 ( 0.887 -0.612 -0.000) 1.077 24.812 ( 0.887 0.612 0.000) 1.077 ======================= Grid point 269 (88/90) ======================= q-point: ( 0.22 -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 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: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( 3.756 -1.383 0.000) 4.002 1.349 ( 3.756 1.383 0.000) 4.002 1.628 ( -1.898 -2.861 0.000) 3.433 1.628 ( -1.898 2.861 0.000) 3.433 1.929 ( -0.436 -1.591 0.000) 1.650 1.929 ( -0.436 1.591 0.000) 1.650 2.483 ( 0.397 -14.856 0.000) 14.861 2.483 ( 0.397 14.856 0.000) 14.861 3.115 ( 7.606 -17.846 0.000) 19.399 3.115 ( 7.606 17.846 0.000) 19.399 3.381 ( 4.751 -8.170 0.000) 9.451 3.381 ( 4.751 8.170 0.000) 9.451 3.810 ( 4.625 -3.858 0.000) 6.023 3.810 ( 4.625 3.858 0.000) 6.023 3.864 ( 8.887 -9.796 -0.000) 13.227 3.864 ( 8.887 9.796 0.000) 13.227 3.980 ( 12.588 -5.951 0.000) 13.924 3.980 ( 12.588 5.951 0.000) 13.924 4.367 ( 8.816 -1.226 0.000) 8.901 4.367 ( 8.816 1.226 0.000) 8.901 4.845 ( -7.299 -3.548 0.000) 8.116 4.845 ( -7.299 3.548 0.000) 8.116 5.551 ( -17.571 -1.453 0.000) 17.631 5.551 ( -17.571 1.453 0.000) 17.631 5.756 ( -13.395 -1.798 0.000) 13.515 5.756 ( -13.395 1.798 0.000) 13.515 6.410 ( -0.471 -7.542 0.000) 7.557 6.410 ( -0.471 7.542 0.000) 7.557 6.549 ( -11.785 -5.133 0.000) 12.854 6.549 ( -11.785 5.133 0.000) 12.854 6.931 ( -1.644 -2.403 0.000) 2.912 6.931 ( -1.644 2.403 0.000) 2.912 7.360 ( 8.405 -1.716 0.000) 8.578 7.360 ( 8.405 1.716 0.000) 8.578 7.707 ( 7.332 -0.853 0.000) 7.382 7.707 ( 7.332 0.853 0.000) 7.382 8.646 ( 18.506 -3.142 0.000) 18.771 8.646 ( 18.506 3.142 0.000) 18.771 8.728 ( 19.390 -5.382 0.000) 20.123 8.728 ( 19.390 5.382 -0.000) 20.123 9.692 ( 0.226 -2.013 0.000) 2.025 9.692 ( 0.226 2.013 0.000) 2.025 10.166 ( -21.675 -2.214 0.000) 21.788 10.166 ( -21.675 2.214 0.000) 21.788 10.363 ( 11.554 -8.546 0.000) 14.371 10.363 ( 11.554 8.546 0.000) 14.371 10.636 ( 8.205 -10.366 0.000) 13.221 10.636 ( 8.205 10.366 0.000) 13.221 11.687 ( 13.020 -6.561 0.000) 14.579 11.687 ( 13.020 6.561 0.000) 14.579 12.560 ( -12.771 -2.567 0.000) 13.027 12.560 ( -12.771 2.567 0.000) 13.027 12.966 ( -0.928 -1.842 0.000) 2.063 12.966 ( -0.928 1.842 0.000) 2.063 13.786 ( -7.703 -0.943 0.000) 7.760 13.786 ( -7.703 0.943 0.000) 7.760 15.501 ( -0.241 -8.409 0.000) 8.413 15.501 ( -0.241 8.409 0.000) 8.413 16.931 ( -2.414 -5.536 0.000) 6.040 16.931 ( -2.414 5.536 0.000) 6.040 18.311 ( -4.027 -4.868 0.000) 6.318 18.311 ( -4.027 4.868 0.000) 6.318 18.775 ( -21.423 -3.807 0.000) 21.758 18.775 ( -21.423 3.807 0.000) 21.758 19.630 ( -18.077 -3.989 0.000) 18.512 19.630 ( -18.077 3.989 0.000) 18.512 20.765 ( 2.246 -4.005 0.000) 4.591 20.765 ( 2.246 4.005 0.000) 4.591 24.467 ( 0.781 -0.271 0.000) 0.827 24.467 ( 0.781 0.271 0.000) 0.827 24.820 ( -0.334 -0.079 0.000) 0.343 24.820 ( -0.334 0.079 0.000) 0.343 ======================= Grid point 273 (89/90) ======================= q-point: ( 0.33 -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 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: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( 2.190 -0.452 0.000) 2.236 1.423 ( 2.190 0.452 0.000) 2.236 1.602 ( 0.418 -3.588 0.000) 3.612 1.602 ( 0.418 3.588 0.000) 3.612 1.911 ( -0.742 -1.944 0.000) 2.081 1.911 ( -0.742 1.944 0.000) 2.081 2.517 ( 2.250 -15.573 0.000) 15.735 2.517 ( 2.250 15.573 0.000) 15.735 3.245 ( 5.850 -21.279 0.000) 22.069 3.245 ( 5.850 21.279 0.000) 22.069 3.491 ( 5.724 -7.549 0.000) 9.474 3.491 ( 5.724 7.549 0.000) 9.474 3.788 ( -8.361 -8.114 0.000) 11.651 3.788 ( -8.361 8.114 0.000) 11.651 3.887 ( 0.074 -2.233 0.000) 2.234 3.887 ( 0.074 2.233 0.000) 2.234 4.220 ( 7.558 -2.693 0.000) 8.023 4.220 ( 7.558 2.693 0.000) 8.023 4.544 ( 6.016 -2.104 0.000) 6.373 4.544 ( 6.016 2.104 0.000) 6.373 4.670 ( -7.992 -4.772 0.000) 9.308 4.670 ( -7.992 4.772 0.000) 9.308 5.350 ( -1.626 -8.082 0.000) 8.244 5.350 ( -1.626 8.082 0.000) 8.244 5.669 ( 2.980 -8.600 0.000) 9.102 5.669 ( 2.980 8.600 0.000) 9.102 6.326 ( -10.954 -4.010 0.000) 11.664 6.326 ( -10.954 4.010 0.000) 11.664 6.434 ( 2.526 -8.689 0.000) 9.049 6.434 ( 2.526 8.689 0.000) 9.049 6.893 ( -2.192 -3.888 0.000) 4.464 6.893 ( -2.192 3.888 0.000) 4.464 7.516 ( 7.335 -2.514 0.000) 7.753 7.516 ( 7.335 2.514 0.000) 7.753 7.831 ( 5.357 -1.717 0.000) 5.625 7.831 ( 5.357 1.717 0.000) 5.625 8.942 ( 11.884 -4.612 0.000) 12.747 8.942 ( 11.884 4.612 0.000) 12.747 9.079 ( 16.188 -7.184 0.000) 17.711 9.079 ( 16.188 7.184 0.000) 17.711 9.669 ( -3.186 -0.221 0.000) 3.193 9.669 ( -3.186 0.221 0.000) 3.193 9.756 ( -19.303 -0.555 0.000) 19.311 9.756 ( -19.303 0.555 0.000) 19.311 10.624 ( 14.386 -10.076 0.000) 17.564 10.624 ( 14.386 10.076 0.000) 17.564 10.816 ( 9.291 -11.183 0.000) 14.539 10.816 ( 9.291 11.183 0.000) 14.539 11.883 ( 6.746 -8.795 0.000) 11.084 11.883 ( 6.746 8.795 0.000) 11.084 12.298 ( -13.130 -1.541 0.000) 13.221 12.298 ( -13.130 1.541 0.000) 13.221 12.970 ( 1.701 -1.898 0.000) 2.549 12.970 ( 1.701 1.898 0.000) 2.549 13.612 ( -9.755 -2.292 0.000) 10.021 13.612 ( -9.755 2.292 0.000) 10.021 15.492 ( -0.551 -11.825 0.000) 11.838 15.492 ( -0.551 11.825 0.000) 11.838 16.915 ( 0.782 -7.258 0.000) 7.300 16.915 ( 0.782 7.258 0.000) 7.300 18.063 ( -18.652 -0.642 0.000) 18.663 18.063 ( -18.652 0.642 0.000) 18.663 18.445 ( -12.826 -1.894 0.000) 12.965 18.445 ( -12.826 1.894 0.000) 12.965 19.398 ( -5.731 -5.639 0.000) 8.040 19.398 ( -5.731 5.639 0.000) 8.040 20.780 ( -0.198 -3.693 0.000) 3.698 20.780 ( -0.198 3.693 0.000) 3.698 24.478 ( 0.292 -0.912 0.000) 0.957 24.478 ( 0.292 0.912 0.000) 0.957 24.800 ( -1.531 -1.146 0.000) 1.912 24.800 ( -1.531 1.146 0.000) 1.912 ======================= Grid point 277 (90/90) ======================= q-point: ( 0.44 -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 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: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( -1.206 -7.180 0.000) 7.281 1.416 ( -1.206 7.180 0.000) 7.281 1.652 ( 2.674 -7.094 0.000) 7.581 1.652 ( 2.674 7.094 0.000) 7.581 1.904 ( -0.156 -5.294 0.000) 5.296 1.904 ( -0.156 5.294 0.000) 5.296 2.551 ( 1.031 -14.571 0.000) 14.608 2.551 ( 1.031 14.571 0.000) 14.608 3.334 ( 2.919 -22.773 0.000) 22.959 3.334 ( 2.919 22.773 0.000) 22.959 3.573 ( 0.730 -8.603 0.000) 8.634 3.573 ( 0.730 8.603 0.000) 8.634 3.627 ( -3.941 -1.715 0.000) 4.298 3.627 ( -3.941 1.715 0.000) 4.298 3.850 ( -2.712 -1.222 0.000) 2.974 3.850 ( -2.712 1.222 0.000) 2.974 4.325 ( 5.475 -1.833 0.000) 5.774 4.325 ( 5.475 1.833 0.000) 5.774 4.462 ( -7.908 -1.045 0.000) 7.977 4.462 ( -7.908 1.045 0.000) 7.977 4.679 ( 2.454 -0.281 0.000) 2.470 4.679 ( 2.454 0.281 0.000) 2.470 5.413 ( 4.284 -13.483 0.000) 14.147 5.413 ( 4.284 13.483 0.000) 14.147 5.775 ( 5.438 -9.521 0.000) 10.965 5.775 ( 5.438 9.521 0.000) 10.965 6.129 ( -7.907 -2.296 0.000) 8.234 6.129 ( -7.907 2.296 0.000) 8.234 6.493 ( 2.476 -8.914 0.000) 9.251 6.493 ( 2.476 8.914 0.000) 9.251 6.853 ( -1.535 -6.591 0.000) 6.768 6.853 ( -1.535 6.591 0.000) 6.768 7.625 ( 3.309 -3.231 0.000) 4.625 7.625 ( 3.309 3.231 0.000) 4.625 7.907 ( 2.155 -2.596 0.000) 3.373 7.907 ( 2.155 2.596 0.000) 3.373 9.135 ( 8.702 -3.810 -0.000) 9.499 9.135 ( 8.702 3.810 0.000) 9.499 9.301 ( 1.919 -4.953 0.000) 5.312 9.301 ( 1.919 4.953 0.000) 5.312 9.470 ( -4.177 -0.365 -0.000) 4.193 9.470 ( -4.177 0.365 0.000) 4.193 9.579 ( -6.412 -0.852 0.000) 6.468 9.579 ( -6.412 0.852 0.000) 6.468 10.861 ( 7.868 -8.141 0.000) 11.321 10.861 ( 7.868 8.141 0.000) 11.321 10.958 ( 4.310 -9.337 0.000) 10.284 10.958 ( 4.310 9.337 0.000) 10.284 11.940 ( -0.270 -17.768 0.000) 17.770 11.940 ( -0.270 17.768 0.000) 17.770 12.106 ( -5.144 -6.470 0.000) 8.266 12.106 ( -5.144 6.470 0.000) 8.266 13.028 ( 3.156 -0.587 0.000) 3.210 13.028 ( 3.156 0.587 0.000) 3.210 13.442 ( -6.177 -4.471 0.000) 7.626 13.442 ( -6.177 4.471 0.000) 7.626 15.483 ( -0.276 -13.572 0.000) 13.575 15.483 ( -0.276 13.572 0.000) 13.575 16.945 ( 1.450 -6.538 0.000) 6.697 16.945 ( 1.450 6.538 0.000) 6.697 17.762 ( -9.366 -4.380 0.000) 10.340 17.762 ( -9.366 4.380 0.000) 10.340 18.257 ( -5.606 -5.289 0.000) 7.708 18.257 ( -5.606 5.289 0.000) 7.708 19.356 ( -0.223 -5.592 0.000) 5.596 19.356 ( -0.223 5.592 0.000) 5.596 20.772 ( -0.379 -3.431 0.000) 3.452 20.772 ( -0.379 3.431 0.000) 3.452 24.480 ( 0.014 -1.871 0.000) 1.871 24.480 ( 0.014 1.871 0.000) 1.871 24.773 ( -0.863 -2.127 0.000) 2.296 24.773 ( -0.863 2.127 0.000) 2.296 =================== 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 3/25920 10.0 55.279 45.707 61.671 0.000 0.000 -0.000 3/25920 20.0 39.311 35.748 37.381 0.000 0.000 -0.000 3/25920 30.0 22.889 22.202 20.914 0.000 0.000 -0.000 3/25920 40.0 15.212 15.333 13.299 0.000 0.000 -0.000 3/25920 50.0 11.308 11.558 9.461 0.000 0.000 -0.000 3/25920 60.0 9.032 9.223 7.282 0.000 0.000 -0.000 3/25920 70.0 7.556 7.646 5.915 0.000 0.000 -0.000 3/25920 80.0 6.523 6.515 4.987 0.000 0.000 -0.000 3/25920 90.0 5.760 5.668 4.320 0.000 0.000 -0.000 3/25920 100.0 5.171 5.013 3.816 0.000 0.000 -0.000 3/25920 110.0 4.702 4.493 3.423 0.000 0.000 -0.000 3/25920 120.0 4.319 4.071 3.108 0.000 0.000 -0.000 3/25920 130.0 4.000 3.723 2.850 0.000 0.000 -0.000 3/25920 140.0 3.729 3.432 2.634 0.000 0.000 -0.000 3/25920 150.0 3.497 3.184 2.451 0.000 0.000 -0.000 3/25920 160.0 3.294 2.972 2.294 0.000 0.000 -0.000 3/25920 170.0 3.117 2.787 2.158 0.000 0.000 -0.000 3/25920 180.0 2.960 2.626 2.038 0.000 0.000 -0.000 3/25920 190.0 2.819 2.483 1.933 0.000 0.000 -0.000 3/25920 200.0 2.693 2.355 1.839 0.000 0.000 -0.000 3/25920 210.0 2.579 2.241 1.754 0.000 0.000 -0.000 3/25920 220.0 2.475 2.138 1.678 0.000 0.000 -0.000 3/25920 230.0 2.380 2.045 1.609 0.000 0.000 -0.000 3/25920 240.0 2.293 1.960 1.546 0.000 0.000 -0.000 3/25920 250.0 2.212 1.882 1.488 0.000 0.000 -0.000 3/25920 260.0 2.137 1.810 1.434 0.000 0.000 -0.000 3/25920 270.0 2.068 1.744 1.385 0.000 0.000 -0.000 3/25920 280.0 2.003 1.683 1.339 0.000 0.000 -0.000 3/25920 290.0 1.942 1.625 1.297 0.000 0.000 -0.000 3/25920 300.0 1.885 1.572 1.257 0.000 0.000 -0.000 3/25920 310.0 1.832 1.523 1.219 0.000 0.000 -0.000 3/25920 320.0 1.781 1.476 1.184 0.000 0.000 -0.000 3/25920 330.0 1.734 1.432 1.151 0.000 0.000 -0.000 3/25920 340.0 1.689 1.391 1.120 0.000 0.000 -0.000 3/25920 350.0 1.646 1.352 1.091 0.000 0.000 -0.000 3/25920 360.0 1.605 1.316 1.063 0.000 0.000 -0.000 3/25920 370.0 1.567 1.281 1.037 0.000 0.000 -0.000 3/25920 380.0 1.530 1.248 1.011 0.000 0.000 -0.000 3/25920 390.0 1.495 1.217 0.987 0.000 0.000 -0.000 3/25920 400.0 1.461 1.187 0.965 0.000 0.000 -0.000 3/25920 410.0 1.429 1.159 0.943 0.000 0.000 -0.000 3/25920 420.0 1.398 1.132 0.922 0.000 0.000 -0.000 3/25920 430.0 1.369 1.106 0.902 0.000 0.000 -0.000 3/25920 440.0 1.341 1.082 0.883 0.000 0.000 -0.000 3/25920 450.0 1.314 1.058 0.865 0.000 0.000 -0.000 3/25920 460.0 1.288 1.036 0.848 0.000 0.000 -0.000 3/25920 470.0 1.262 1.014 0.831 0.000 0.000 -0.000 3/25920 480.0 1.238 0.993 0.815 0.000 0.000 -0.000 3/25920 490.0 1.215 0.974 0.799 0.000 0.000 -0.000 3/25920 500.0 1.193 0.954 0.784 0.000 0.000 -0.000 3/25920 510.0 1.171 0.936 0.770 0.000 0.000 -0.000 3/25920 520.0 1.150 0.919 0.756 0.000 0.000 -0.000 3/25920 530.0 1.130 0.902 0.742 0.000 0.000 -0.000 3/25920 540.0 1.111 0.885 0.729 0.000 0.000 -0.000 3/25920 550.0 1.092 0.869 0.717 0.000 0.000 -0.000 3/25920 560.0 1.074 0.854 0.705 0.000 0.000 -0.000 3/25920 570.0 1.056 0.839 0.693 0.000 0.000 -0.000 3/25920 580.0 1.039 0.825 0.682 0.000 0.000 -0.000 3/25920 590.0 1.023 0.811 0.671 0.000 0.000 -0.000 3/25920 600.0 1.007 0.798 0.660 0.000 0.000 -0.000 3/25920 610.0 0.992 0.785 0.650 0.000 0.000 -0.000 3/25920 620.0 0.976 0.773 0.640 0.000 0.000 -0.000 3/25920 630.0 0.962 0.761 0.630 0.000 0.000 -0.000 3/25920 640.0 0.948 0.749 0.621 0.000 0.000 -0.000 3/25920 650.0 0.934 0.738 0.612 0.000 0.000 -0.000 3/25920 660.0 0.921 0.727 0.603 0.000 0.000 -0.000 3/25920 670.0 0.908 0.716 0.594 0.000 0.000 -0.000 3/25920 680.0 0.895 0.706 0.586 0.000 0.000 -0.000 3/25920 690.0 0.883 0.696 0.578 0.000 0.000 -0.000 3/25920 700.0 0.871 0.686 0.570 0.000 0.000 -0.000 3/25920 710.0 0.859 0.676 0.562 0.000 0.000 -0.000 3/25920 720.0 0.848 0.667 0.555 0.000 0.000 -0.000 3/25920 730.0 0.836 0.658 0.547 0.000 0.000 -0.000 3/25920 740.0 0.826 0.649 0.540 0.000 0.000 -0.000 3/25920 750.0 0.815 0.641 0.533 0.000 0.000 -0.000 3/25920 760.0 0.805 0.632 0.527 0.000 0.000 -0.000 3/25920 770.0 0.795 0.624 0.520 0.000 0.000 -0.000 3/25920 780.0 0.785 0.616 0.514 0.000 0.000 -0.000 3/25920 790.0 0.776 0.609 0.507 0.000 0.000 -0.000 3/25920 800.0 0.766 0.601 0.501 0.000 0.000 -0.000 3/25920 810.0 0.757 0.594 0.495 0.000 0.000 -0.000 3/25920 820.0 0.748 0.587 0.489 0.000 0.000 -0.000 3/25920 830.0 0.740 0.580 0.484 0.000 0.000 -0.000 3/25920 840.0 0.731 0.573 0.478 0.000 0.000 -0.000 3/25920 850.0 0.723 0.566 0.473 0.000 0.000 -0.000 3/25920 860.0 0.715 0.560 0.467 0.000 0.000 -0.000 3/25920 870.0 0.707 0.553 0.462 0.000 0.000 -0.000 3/25920 880.0 0.699 0.547 0.457 0.000 0.000 -0.000 3/25920 890.0 0.691 0.541 0.452 0.000 0.000 -0.000 3/25920 900.0 0.684 0.535 0.447 0.000 0.000 -0.000 3/25920 910.0 0.677 0.529 0.442 0.000 0.000 -0.000 3/25920 920.0 0.670 0.523 0.438 0.000 0.000 -0.000 3/25920 930.0 0.663 0.518 0.433 0.000 0.000 -0.000 3/25920 940.0 0.656 0.512 0.428 0.000 0.000 -0.000 3/25920 950.0 0.649 0.507 0.424 0.000 0.000 -0.000 3/25920 960.0 0.643 0.502 0.420 0.000 0.000 -0.000 3/25920 970.0 0.636 0.497 0.416 0.000 0.000 -0.000 3/25920 980.0 0.630 0.492 0.411 0.000 0.000 -0.000 3/25920 990.0 0.624 0.487 0.407 0.000 0.000 -0.000 3/25920 1000.0 0.618 0.482 0.403 0.000 0.000 -0.000 3/25920 Thermal conductivity related properties were written into "kappa-m9410.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:29:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|