----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 23:22:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 3 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 72 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.651127029999998 0.000000000000000 0.000000000000000 b 0.000000000000000 3.475507809999999 0.000000000000000 c 0.000000000000000 0.000000000000000 4.973689750000000 Atomic positions (fractional): *1 Ho 0.85713338568477 0.25000000000000 0.10829748403731 164.930 2 Ho 0.35713338568477 0.25000000000000 0.39170251596270 164.930 3 Ho 0.64286661431523 0.75000000000000 0.60829748403730 164.930 4 Ho 0.14286661431523 0.75000000000000 0.89170251596269 164.930 *5 H 0.60449722012255 0.25000000000000 0.13775411444492 1.008 6 H 0.10449722012255 0.25000000000000 0.36224588555508 1.008 7 H 0.89550277987745 0.75000000000000 0.63775411444492 1.008 8 H 0.39550277987745 0.75000000000000 0.86224588555508 1.008 *9 O 0.07065807768034 0.25000000000000 0.17009021994465 15.999 *10 O 0.31373352696433 0.75000000000000 0.13850005826388 15.999 11 O 0.81373352696433 0.75000000000000 0.36149994173612 15.999 12 O 0.57065807768034 0.25000000000000 0.32990978005535 15.999 13 O 0.42934192231966 0.75000000000000 0.67009021994465 15.999 14 O 0.18626647303567 0.25000000000000 0.63850005826388 15.999 15 O 0.68626647303567 0.25000000000000 0.86149994173612 15.999 16 O 0.92934192231966 0.75000000000000 0.82990978005535 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.651127029999998 0.000000000000000 0.000000000000000 b 0.000000000000000 3.475507809999999 0.000000000000000 c 0.000000000000000 0.000000000000000 4.973689750000000 Atomic positions (fractional): *1 Ho 0.85713338568477 0.25000000000000 0.10829748403731 164.930 > 1 2 Ho 0.35713338568477 0.25000000000000 0.39170251596270 164.930 > 2 3 Ho 0.64286661431523 0.75000000000000 0.60829748403730 164.930 > 3 4 Ho 0.14286661431523 0.75000000000000 0.89170251596270 164.930 > 4 *5 H 0.60449722012255 0.25000000000000 0.13775411444492 1.008 > 5 6 H 0.10449722012255 0.25000000000000 0.36224588555508 1.008 > 6 7 H 0.89550277987745 0.75000000000000 0.63775411444492 1.008 > 7 8 H 0.39550277987745 0.75000000000000 0.86224588555508 1.008 > 8 *9 O 0.07065807768034 0.25000000000000 0.17009021994465 15.999 > 9 *10 O 0.31373352696433 0.75000000000000 0.13850005826388 15.999 > 10 11 O 0.81373352696433 0.75000000000000 0.36149994173612 15.999 > 11 12 O 0.57065807768034 0.25000000000000 0.32990978005535 15.999 > 12 13 O 0.42934192231966 0.75000000000000 0.67009021994465 15.999 > 13 14 O 0.18626647303567 0.25000000000000 0.63850005826388 15.999 > 14 15 O 0.68626647303567 0.25000000000000 0.86149994173612 15.999 > 15 16 O 0.92934192231966 0.75000000000000 0.82990978005535 15.999 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.651127029999998 0.000000000000000 0.000000000000000 b 0.000000000000000 10.426523429999996 0.000000000000000 c 0.000000000000000 0.000000000000000 14.921069250000000 Atomic positions (fractional): *1 Ho 0.85713338568477 0.08333333333333 0.03609916134577 164.930 > 1 2 Ho 0.85713338568477 0.41666666666667 0.03609916134577 164.930 > 1 3 Ho 0.85713338568477 0.75000000000000 0.03609916134577 164.930 > 1 4 Ho 0.85713338568477 0.08333333333333 0.36943249467910 164.930 > 1 5 Ho 0.85713338568477 0.41666666666667 0.36943249467910 164.930 > 1 6 Ho 0.85713338568477 0.75000000000000 0.36943249467910 164.930 > 1 7 Ho 0.85713338568477 0.08333333333333 0.70276582801244 164.930 > 1 8 Ho 0.85713338568477 0.41666666666667 0.70276582801244 164.930 > 1 9 Ho 0.85713338568477 0.75000000000000 0.70276582801244 164.930 > 1 10 Ho 0.35713338568477 0.08333333333333 0.13056750532090 164.930 > 2 11 Ho 0.35713338568477 0.41666666666667 0.13056750532090 164.930 > 2 12 Ho 0.35713338568477 0.75000000000000 0.13056750532090 164.930 > 2 13 Ho 0.35713338568477 0.08333333333333 0.46390083865423 164.930 > 2 14 Ho 0.35713338568477 0.41666666666667 0.46390083865423 164.930 > 2 15 Ho 0.35713338568477 0.75000000000000 0.46390083865423 164.930 > 2 16 Ho 0.35713338568477 0.08333333333333 0.79723417198757 164.930 > 2 17 Ho 0.35713338568477 0.41666666666667 0.79723417198757 164.930 > 2 18 Ho 0.35713338568477 0.75000000000000 0.79723417198757 164.930 > 2 19 Ho 0.64286661431523 0.25000000000000 0.20276582801243 164.930 > 3 20 Ho 0.64286661431523 0.58333333333333 0.20276582801243 164.930 > 3 21 Ho 0.64286661431523 0.91666666666667 0.20276582801243 164.930 > 3 22 Ho 0.64286661431523 0.25000000000000 0.53609916134577 164.930 > 3 23 Ho 0.64286661431523 0.58333333333333 0.53609916134577 164.930 > 3 24 Ho 0.64286661431523 0.91666666666667 0.53609916134577 164.930 > 3 25 Ho 0.64286661431523 0.25000000000000 0.86943249467910 164.930 > 3 26 Ho 0.64286661431523 0.58333333333333 0.86943249467910 164.930 > 3 27 Ho 0.64286661431523 0.91666666666667 0.86943249467910 164.930 > 3 28 Ho 0.14286661431523 0.25000000000000 0.29723417198756 164.930 > 4 29 Ho 0.14286661431523 0.58333333333333 0.29723417198756 164.930 > 4 30 Ho 0.14286661431523 0.91666666666667 0.29723417198756 164.930 > 4 31 Ho 0.14286661431523 0.25000000000000 0.63056750532090 164.930 > 4 32 Ho 0.14286661431523 0.58333333333333 0.63056750532090 164.930 > 4 33 Ho 0.14286661431523 0.91666666666667 0.63056750532090 164.930 > 4 34 Ho 0.14286661431523 0.25000000000000 0.96390083865423 164.930 > 4 35 Ho 0.14286661431523 0.58333333333333 0.96390083865423 164.930 > 4 36 Ho 0.14286661431523 0.91666666666667 0.96390083865423 164.930 > 4 *37 H 0.60449722012255 0.08333333333333 0.04591803814831 1.008 > 5 38 H 0.60449722012255 0.41666666666667 0.04591803814831 1.008 > 5 39 H 0.60449722012255 0.75000000000000 0.04591803814831 1.008 > 5 40 H 0.60449722012255 0.08333333333333 0.37925137148164 1.008 > 5 41 H 0.60449722012255 0.41666666666667 0.37925137148164 1.008 > 5 42 H 0.60449722012255 0.75000000000000 0.37925137148164 1.008 > 5 43 H 0.60449722012255 0.08333333333333 0.71258470481497 1.008 > 5 44 H 0.60449722012255 0.41666666666667 0.71258470481497 1.008 > 5 45 H 0.60449722012255 0.75000000000000 0.71258470481497 1.008 > 5 46 H 0.10449722012255 0.08333333333333 0.12074862851836 1.008 > 6 47 H 0.10449722012255 0.41666666666667 0.12074862851836 1.008 > 6 48 H 0.10449722012255 0.75000000000000 0.12074862851836 1.008 > 6 49 H 0.10449722012255 0.08333333333333 0.45408196185169 1.008 > 6 50 H 0.10449722012255 0.41666666666667 0.45408196185169 1.008 > 6 51 H 0.10449722012255 0.75000000000000 0.45408196185169 1.008 > 6 52 H 0.10449722012255 0.08333333333333 0.78741529518503 1.008 > 6 53 H 0.10449722012255 0.41666666666667 0.78741529518503 1.008 > 6 54 H 0.10449722012255 0.75000000000000 0.78741529518503 1.008 > 6 55 H 0.89550277987745 0.25000000000000 0.21258470481497 1.008 > 7 56 H 0.89550277987745 0.58333333333333 0.21258470481497 1.008 > 7 57 H 0.89550277987745 0.91666666666667 0.21258470481497 1.008 > 7 58 H 0.89550277987745 0.25000000000000 0.54591803814831 1.008 > 7 59 H 0.89550277987745 0.58333333333333 0.54591803814831 1.008 > 7 60 H 0.89550277987745 0.91666666666667 0.54591803814831 1.008 > 7 61 H 0.89550277987745 0.25000000000000 0.87925137148164 1.008 > 7 62 H 0.89550277987745 0.58333333333333 0.87925137148164 1.008 > 7 63 H 0.89550277987745 0.91666666666667 0.87925137148164 1.008 > 7 64 H 0.39550277987745 0.25000000000000 0.28741529518503 1.008 > 8 65 H 0.39550277987745 0.58333333333333 0.28741529518503 1.008 > 8 66 H 0.39550277987745 0.91666666666667 0.28741529518503 1.008 > 8 67 H 0.39550277987745 0.25000000000000 0.62074862851836 1.008 > 8 68 H 0.39550277987745 0.58333333333333 0.62074862851836 1.008 > 8 69 H 0.39550277987745 0.91666666666667 0.62074862851836 1.008 > 8 70 H 0.39550277987745 0.25000000000000 0.95408196185169 1.008 > 8 71 H 0.39550277987745 0.58333333333333 0.95408196185169 1.008 > 8 72 H 0.39550277987745 0.91666666666667 0.95408196185169 1.008 > 8 *73 O 0.07065807768034 0.08333333333333 0.05669673998155 15.999 > 9 74 O 0.07065807768034 0.41666666666667 0.05669673998155 15.999 > 9 75 O 0.07065807768034 0.75000000000000 0.05669673998155 15.999 > 9 76 O 0.07065807768034 0.08333333333333 0.39003007331488 15.999 > 9 77 O 0.07065807768034 0.41666666666667 0.39003007331488 15.999 > 9 78 O 0.07065807768034 0.75000000000000 0.39003007331488 15.999 > 9 79 O 0.07065807768034 0.08333333333333 0.72336340664822 15.999 > 9 80 O 0.07065807768034 0.41666666666667 0.72336340664822 15.999 > 9 81 O 0.07065807768034 0.75000000000000 0.72336340664822 15.999 > 9 *82 O 0.31373352696433 0.25000000000000 0.04616668608796 15.999 > 10 83 O 0.31373352696433 0.58333333333333 0.04616668608796 15.999 > 10 84 O 0.31373352696433 0.91666666666667 0.04616668608796 15.999 > 10 85 O 0.31373352696433 0.25000000000000 0.37950001942129 15.999 > 10 86 O 0.31373352696433 0.58333333333333 0.37950001942129 15.999 > 10 87 O 0.31373352696433 0.91666666666667 0.37950001942129 15.999 > 10 88 O 0.31373352696433 0.25000000000000 0.71283335275463 15.999 > 10 89 O 0.31373352696433 0.58333333333333 0.71283335275463 15.999 > 10 90 O 0.31373352696433 0.91666666666667 0.71283335275463 15.999 > 10 91 O 0.81373352696433 0.25000000000000 0.12049998057871 15.999 > 11 92 O 0.81373352696433 0.58333333333333 0.12049998057871 15.999 > 11 93 O 0.81373352696433 0.91666666666667 0.12049998057871 15.999 > 11 94 O 0.81373352696433 0.25000000000000 0.45383331391204 15.999 > 11 95 O 0.81373352696433 0.58333333333333 0.45383331391204 15.999 > 11 96 O 0.81373352696433 0.91666666666667 0.45383331391204 15.999 > 11 97 O 0.81373352696433 0.25000000000000 0.78716664724537 15.999 > 11 98 O 0.81373352696433 0.58333333333333 0.78716664724537 15.999 > 11 99 O 0.81373352696433 0.91666666666667 0.78716664724537 15.999 > 11 100 O 0.57065807768034 0.08333333333333 0.10996992668512 15.999 > 12 101 O 0.57065807768034 0.41666666666667 0.10996992668512 15.999 > 12 102 O 0.57065807768034 0.75000000000000 0.10996992668512 15.999 > 12 103 O 0.57065807768034 0.08333333333333 0.44330326001845 15.999 > 12 104 O 0.57065807768034 0.41666666666667 0.44330326001845 15.999 > 12 105 O 0.57065807768034 0.75000000000000 0.44330326001845 15.999 > 12 106 O 0.57065807768034 0.08333333333333 0.77663659335178 15.999 > 12 107 O 0.57065807768034 0.41666666666667 0.77663659335178 15.999 > 12 108 O 0.57065807768034 0.75000000000000 0.77663659335178 15.999 > 12 109 O 0.42934192231966 0.25000000000000 0.22336340664822 15.999 > 13 110 O 0.42934192231966 0.58333333333333 0.22336340664822 15.999 > 13 111 O 0.42934192231966 0.91666666666667 0.22336340664822 15.999 > 13 112 O 0.42934192231966 0.25000000000000 0.55669673998155 15.999 > 13 113 O 0.42934192231966 0.58333333333333 0.55669673998155 15.999 > 13 114 O 0.42934192231966 0.91666666666667 0.55669673998155 15.999 > 13 115 O 0.42934192231966 0.25000000000000 0.89003007331488 15.999 > 13 116 O 0.42934192231966 0.58333333333333 0.89003007331488 15.999 > 13 117 O 0.42934192231966 0.91666666666667 0.89003007331488 15.999 > 13 118 O 0.18626647303567 0.08333333333333 0.21283335275463 15.999 > 14 119 O 0.18626647303567 0.41666666666667 0.21283335275463 15.999 > 14 120 O 0.18626647303567 0.75000000000000 0.21283335275463 15.999 > 14 121 O 0.18626647303567 0.08333333333333 0.54616668608796 15.999 > 14 122 O 0.18626647303567 0.41666666666667 0.54616668608796 15.999 > 14 123 O 0.18626647303567 0.75000000000000 0.54616668608796 15.999 > 14 124 O 0.18626647303567 0.08333333333333 0.87950001942129 15.999 > 14 125 O 0.18626647303567 0.41666666666667 0.87950001942129 15.999 > 14 126 O 0.18626647303567 0.75000000000000 0.87950001942129 15.999 > 14 127 O 0.68626647303567 0.08333333333333 0.28716664724537 15.999 > 15 128 O 0.68626647303567 0.41666666666667 0.28716664724537 15.999 > 15 129 O 0.68626647303567 0.75000000000000 0.28716664724537 15.999 > 15 130 O 0.68626647303567 0.08333333333333 0.62049998057871 15.999 > 15 131 O 0.68626647303567 0.41666666666667 0.62049998057871 15.999 > 15 132 O 0.68626647303567 0.75000000000000 0.62049998057871 15.999 > 15 133 O 0.68626647303567 0.08333333333333 0.95383331391204 15.999 > 15 134 O 0.68626647303567 0.41666666666667 0.95383331391204 15.999 > 15 135 O 0.68626647303567 0.75000000000000 0.95383331391204 15.999 > 15 136 O 0.92934192231966 0.25000000000000 0.27663659335178 15.999 > 16 137 O 0.92934192231966 0.58333333333333 0.27663659335178 15.999 > 16 138 O 0.92934192231966 0.91666666666667 0.27663659335178 15.999 > 16 139 O 0.92934192231966 0.25000000000000 0.60996992668512 15.999 > 16 140 O 0.92934192231966 0.58333333333333 0.60996992668512 15.999 > 16 141 O 0.92934192231966 0.91666666666667 0.60996992668512 15.999 > 16 142 O 0.92934192231966 0.25000000000000 0.94330326001845 15.999 > 16 143 O 0.92934192231966 0.58333333333333 0.94330326001845 15.999 > 16 144 O 0.92934192231966 0.91666666666667 0.94330326001845 15.999 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.5453876 0.0000000 0.0000000 0.0000000 3.6793864 0.0000000 0.0000000 0.0000000 3.5450611 -------------------------- Born effective charges -------------------------- 1 Ho 3.6723587 0.0000000 -0.0744116 0.0000000 4.1063276 0.0000000 0.0137068 0.0000000 3.2576960 2 Ho 3.6723587 0.0000000 0.0744116 0.0000000 4.1063276 0.0000000 -0.0137068 0.0000000 3.2576960 3 Ho 3.6723587 0.0000000 0.0744116 0.0000000 4.1063276 0.0000000 -0.0137068 0.0000000 3.2576960 4 Ho 3.6723587 0.0000000 -0.0744116 0.0000000 4.1063276 0.0000000 0.0137068 0.0000000 3.2576960 5 H 0.5748070 0.0000000 -0.6269189 0.0000000 0.2350672 0.0000000 -0.6264549 0.0000000 1.4319357 6 H 0.5748070 0.0000000 0.6269189 0.0000000 0.2350672 0.0000000 0.6264549 0.0000000 1.4319357 7 H 0.5748070 0.0000000 0.6269189 0.0000000 0.2350672 0.0000000 0.6264549 0.0000000 1.4319357 8 H 0.5748070 0.0000000 -0.6269189 0.0000000 0.2350672 0.0000000 -0.6264549 0.0000000 1.4319357 9 O -2.2188473 0.0000000 -0.2157509 0.0000000 -1.8076322 0.0000000 -0.2300761 0.0000000 -2.0915194 10 O -2.0283184 0.0000000 -0.4660208 0.0000000 -2.5337626 0.0000000 -0.4782582 0.0000000 -2.5981123 11 O -2.0283184 0.0000000 0.4660208 0.0000000 -2.5337626 0.0000000 0.4782582 0.0000000 -2.5981123 12 O -2.2188473 0.0000000 0.2157509 0.0000000 -1.8076322 0.0000000 0.2300761 0.0000000 -2.0915194 13 O -2.2188473 0.0000000 0.2157509 0.0000000 -1.8076322 0.0000000 0.2300761 0.0000000 -2.0915194 14 O -2.0283184 0.0000000 0.4660208 0.0000000 -2.5337626 0.0000000 0.4782582 0.0000000 -2.5981123 15 O -2.0283184 0.0000000 -0.4660208 0.0000000 -2.5337626 0.0000000 -0.4782582 0.0000000 -2.5981123 16 O -2.2188473 0.0000000 -0.2157509 0.0000000 -1.8076322 0.0000000 -0.2300761 0.0000000 -2.0915194 ---------------------------------------------------------------------------- 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: 10920/10920 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1440 Number of blocks in projector: 1440 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: 384 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 192 Use standard eigh solver. Tree of FC basis block matrices: - (1440, 1420), data: False |-- (192, 192), data: True |-- (192, 192), data: True |-- (224, 220), data: True |-- (224, 220), data: True |-- (224, 220), data: True |-- (384, 376), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 240 - Time: 2.491 Solver_block: 200 / 240 - Time: 2.463 Solver_block: 240 / 240 - Time: 1.068 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.056 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 10920/10920 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1440 Number of blocks in projector: 1440 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: 384 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 192 Use standard eigh solver. Tree of FC basis block matrices: - (1440, 1420), data: False |-- (192, 192), data: True |-- (192, 192), data: True |-- (224, 220), data: True |-- (224, 220), data: True |-- (224, 220), data: True |-- (384, 376), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 23:22:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:22:39]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 3 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.651127029999998 0.000000000000000 0.000000000000000 b 0.000000000000000 3.475507809999999 0.000000000000000 c 0.000000000000000 0.000000000000000 4.973689750000000 Atomic positions (fractional): 1 Ho 0.85713338568477 0.25000000000000 0.10829748403731 164.930 2 Ho 0.35713338568477 0.25000000000000 0.39170251596270 164.930 3 Ho 0.64286661431523 0.75000000000000 0.60829748403730 164.930 4 Ho 0.14286661431523 0.75000000000000 0.89170251596269 164.930 5 H 0.60449722012255 0.25000000000000 0.13775411444492 1.008 6 H 0.10449722012255 0.25000000000000 0.36224588555508 1.008 7 H 0.89550277987745 0.75000000000000 0.63775411444492 1.008 8 H 0.39550277987745 0.75000000000000 0.86224588555508 1.008 9 O 0.07065807768034 0.25000000000000 0.17009021994465 15.999 10 O 0.31373352696433 0.75000000000000 0.13850005826388 15.999 11 O 0.81373352696433 0.75000000000000 0.36149994173612 15.999 12 O 0.57065807768034 0.25000000000000 0.32990978005535 15.999 13 O 0.42934192231966 0.75000000000000 0.67009021994465 15.999 14 O 0.18626647303567 0.25000000000000 0.63850005826388 15.999 15 O 0.68626647303567 0.25000000000000 0.86149994173612 15.999 16 O 0.92934192231966 0.75000000000000 0.82990978005535 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.651127029999998 0.000000000000000 0.000000000000000 b 0.000000000000000 10.426523429999996 0.000000000000000 c 0.000000000000000 0.000000000000000 14.921069250000000 Atomic positions (fractional): 1 Ho 0.85713338568477 0.08333333333333 0.03609916134577 164.930 > 1 2 Ho 0.85713338568477 0.41666666666667 0.03609916134577 164.930 > 1 3 Ho 0.85713338568477 0.75000000000000 0.03609916134577 164.930 > 1 4 Ho 0.85713338568477 0.08333333333333 0.36943249467910 164.930 > 1 5 Ho 0.85713338568477 0.41666666666667 0.36943249467910 164.930 > 1 6 Ho 0.85713338568477 0.75000000000000 0.36943249467910 164.930 > 1 7 Ho 0.85713338568477 0.08333333333333 0.70276582801244 164.930 > 1 8 Ho 0.85713338568477 0.41666666666667 0.70276582801244 164.930 > 1 9 Ho 0.85713338568477 0.75000000000000 0.70276582801244 164.930 > 1 10 Ho 0.35713338568477 0.08333333333333 0.13056750532090 164.930 > 10 11 Ho 0.35713338568477 0.41666666666667 0.13056750532090 164.930 > 10 12 Ho 0.35713338568477 0.75000000000000 0.13056750532090 164.930 > 10 13 Ho 0.35713338568477 0.08333333333333 0.46390083865423 164.930 > 10 14 Ho 0.35713338568477 0.41666666666667 0.46390083865423 164.930 > 10 15 Ho 0.35713338568477 0.75000000000000 0.46390083865423 164.930 > 10 16 Ho 0.35713338568477 0.08333333333333 0.79723417198757 164.930 > 10 17 Ho 0.35713338568477 0.41666666666667 0.79723417198757 164.930 > 10 18 Ho 0.35713338568477 0.75000000000000 0.79723417198757 164.930 > 10 19 Ho 0.64286661431523 0.25000000000000 0.20276582801243 164.930 > 19 20 Ho 0.64286661431523 0.58333333333333 0.20276582801243 164.930 > 19 21 Ho 0.64286661431523 0.91666666666667 0.20276582801243 164.930 > 19 22 Ho 0.64286661431523 0.25000000000000 0.53609916134577 164.930 > 19 23 Ho 0.64286661431523 0.58333333333333 0.53609916134577 164.930 > 19 24 Ho 0.64286661431523 0.91666666666667 0.53609916134577 164.930 > 19 25 Ho 0.64286661431523 0.25000000000000 0.86943249467910 164.930 > 19 26 Ho 0.64286661431523 0.58333333333333 0.86943249467910 164.930 > 19 27 Ho 0.64286661431523 0.91666666666667 0.86943249467910 164.930 > 19 28 Ho 0.14286661431523 0.25000000000000 0.29723417198756 164.930 > 28 29 Ho 0.14286661431523 0.58333333333333 0.29723417198756 164.930 > 28 30 Ho 0.14286661431523 0.91666666666667 0.29723417198756 164.930 > 28 31 Ho 0.14286661431523 0.25000000000000 0.63056750532090 164.930 > 28 32 Ho 0.14286661431523 0.58333333333333 0.63056750532090 164.930 > 28 33 Ho 0.14286661431523 0.91666666666667 0.63056750532090 164.930 > 28 34 Ho 0.14286661431523 0.25000000000000 0.96390083865423 164.930 > 28 35 Ho 0.14286661431523 0.58333333333333 0.96390083865423 164.930 > 28 36 Ho 0.14286661431523 0.91666666666667 0.96390083865423 164.930 > 28 37 H 0.60449722012255 0.08333333333333 0.04591803814831 1.008 > 37 38 H 0.60449722012255 0.41666666666667 0.04591803814831 1.008 > 37 39 H 0.60449722012255 0.75000000000000 0.04591803814831 1.008 > 37 40 H 0.60449722012255 0.08333333333333 0.37925137148164 1.008 > 37 41 H 0.60449722012255 0.41666666666667 0.37925137148164 1.008 > 37 42 H 0.60449722012255 0.75000000000000 0.37925137148164 1.008 > 37 43 H 0.60449722012255 0.08333333333333 0.71258470481497 1.008 > 37 44 H 0.60449722012255 0.41666666666667 0.71258470481497 1.008 > 37 45 H 0.60449722012255 0.75000000000000 0.71258470481497 1.008 > 37 46 H 0.10449722012255 0.08333333333333 0.12074862851836 1.008 > 46 47 H 0.10449722012255 0.41666666666667 0.12074862851836 1.008 > 46 48 H 0.10449722012255 0.75000000000000 0.12074862851836 1.008 > 46 49 H 0.10449722012255 0.08333333333333 0.45408196185169 1.008 > 46 50 H 0.10449722012255 0.41666666666667 0.45408196185169 1.008 > 46 51 H 0.10449722012255 0.75000000000000 0.45408196185169 1.008 > 46 52 H 0.10449722012255 0.08333333333333 0.78741529518503 1.008 > 46 53 H 0.10449722012255 0.41666666666667 0.78741529518503 1.008 > 46 54 H 0.10449722012255 0.75000000000000 0.78741529518503 1.008 > 46 55 H 0.89550277987745 0.25000000000000 0.21258470481497 1.008 > 55 56 H 0.89550277987745 0.58333333333333 0.21258470481497 1.008 > 55 57 H 0.89550277987745 0.91666666666667 0.21258470481497 1.008 > 55 58 H 0.89550277987745 0.25000000000000 0.54591803814831 1.008 > 55 59 H 0.89550277987745 0.58333333333333 0.54591803814831 1.008 > 55 60 H 0.89550277987745 0.91666666666667 0.54591803814831 1.008 > 55 61 H 0.89550277987745 0.25000000000000 0.87925137148164 1.008 > 55 62 H 0.89550277987745 0.58333333333333 0.87925137148164 1.008 > 55 63 H 0.89550277987745 0.91666666666667 0.87925137148164 1.008 > 55 64 H 0.39550277987745 0.25000000000000 0.28741529518503 1.008 > 64 65 H 0.39550277987745 0.58333333333333 0.28741529518503 1.008 > 64 66 H 0.39550277987745 0.91666666666667 0.28741529518503 1.008 > 64 67 H 0.39550277987745 0.25000000000000 0.62074862851836 1.008 > 64 68 H 0.39550277987745 0.58333333333333 0.62074862851836 1.008 > 64 69 H 0.39550277987745 0.91666666666667 0.62074862851836 1.008 > 64 70 H 0.39550277987745 0.25000000000000 0.95408196185169 1.008 > 64 71 H 0.39550277987745 0.58333333333333 0.95408196185169 1.008 > 64 72 H 0.39550277987745 0.91666666666667 0.95408196185169 1.008 > 64 73 O 0.07065807768034 0.08333333333333 0.05669673998155 15.999 > 73 74 O 0.07065807768034 0.41666666666667 0.05669673998155 15.999 > 73 75 O 0.07065807768034 0.75000000000000 0.05669673998155 15.999 > 73 76 O 0.07065807768034 0.08333333333333 0.39003007331488 15.999 > 73 77 O 0.07065807768034 0.41666666666667 0.39003007331488 15.999 > 73 78 O 0.07065807768034 0.75000000000000 0.39003007331488 15.999 > 73 79 O 0.07065807768034 0.08333333333333 0.72336340664822 15.999 > 73 80 O 0.07065807768034 0.41666666666667 0.72336340664822 15.999 > 73 81 O 0.07065807768034 0.75000000000000 0.72336340664822 15.999 > 73 82 O 0.31373352696433 0.25000000000000 0.04616668608796 15.999 > 82 83 O 0.31373352696433 0.58333333333333 0.04616668608796 15.999 > 82 84 O 0.31373352696433 0.91666666666667 0.04616668608796 15.999 > 82 85 O 0.31373352696433 0.25000000000000 0.37950001942129 15.999 > 82 86 O 0.31373352696433 0.58333333333333 0.37950001942129 15.999 > 82 87 O 0.31373352696433 0.91666666666667 0.37950001942129 15.999 > 82 88 O 0.31373352696433 0.25000000000000 0.71283335275463 15.999 > 82 89 O 0.31373352696433 0.58333333333333 0.71283335275463 15.999 > 82 90 O 0.31373352696433 0.91666666666667 0.71283335275463 15.999 > 82 91 O 0.81373352696433 0.25000000000000 0.12049998057871 15.999 > 91 92 O 0.81373352696433 0.58333333333333 0.12049998057871 15.999 > 91 93 O 0.81373352696433 0.91666666666667 0.12049998057871 15.999 > 91 94 O 0.81373352696433 0.25000000000000 0.45383331391204 15.999 > 91 95 O 0.81373352696433 0.58333333333333 0.45383331391204 15.999 > 91 96 O 0.81373352696433 0.91666666666667 0.45383331391204 15.999 > 91 97 O 0.81373352696433 0.25000000000000 0.78716664724537 15.999 > 91 98 O 0.81373352696433 0.58333333333333 0.78716664724537 15.999 > 91 99 O 0.81373352696433 0.91666666666667 0.78716664724537 15.999 > 91 100 O 0.57065807768034 0.08333333333333 0.10996992668512 15.999 > 100 101 O 0.57065807768034 0.41666666666667 0.10996992668512 15.999 > 100 102 O 0.57065807768034 0.75000000000000 0.10996992668512 15.999 > 100 103 O 0.57065807768034 0.08333333333333 0.44330326001845 15.999 > 100 104 O 0.57065807768034 0.41666666666667 0.44330326001845 15.999 > 100 105 O 0.57065807768034 0.75000000000000 0.44330326001845 15.999 > 100 106 O 0.57065807768034 0.08333333333333 0.77663659335178 15.999 > 100 107 O 0.57065807768034 0.41666666666667 0.77663659335178 15.999 > 100 108 O 0.57065807768034 0.75000000000000 0.77663659335178 15.999 > 100 109 O 0.42934192231966 0.25000000000000 0.22336340664822 15.999 > 109 110 O 0.42934192231966 0.58333333333333 0.22336340664822 15.999 > 109 111 O 0.42934192231966 0.91666666666667 0.22336340664822 15.999 > 109 112 O 0.42934192231966 0.25000000000000 0.55669673998155 15.999 > 109 113 O 0.42934192231966 0.58333333333333 0.55669673998155 15.999 > 109 114 O 0.42934192231966 0.91666666666667 0.55669673998155 15.999 > 109 115 O 0.42934192231966 0.25000000000000 0.89003007331488 15.999 > 109 116 O 0.42934192231966 0.58333333333333 0.89003007331488 15.999 > 109 117 O 0.42934192231966 0.91666666666667 0.89003007331488 15.999 > 109 118 O 0.18626647303567 0.08333333333333 0.21283335275463 15.999 > 118 119 O 0.18626647303567 0.41666666666667 0.21283335275463 15.999 > 118 120 O 0.18626647303567 0.75000000000000 0.21283335275463 15.999 > 118 121 O 0.18626647303567 0.08333333333333 0.54616668608796 15.999 > 118 122 O 0.18626647303567 0.41666666666667 0.54616668608796 15.999 > 118 123 O 0.18626647303567 0.75000000000000 0.54616668608796 15.999 > 118 124 O 0.18626647303567 0.08333333333333 0.87950001942129 15.999 > 118 125 O 0.18626647303567 0.41666666666667 0.87950001942129 15.999 > 118 126 O 0.18626647303567 0.75000000000000 0.87950001942129 15.999 > 118 127 O 0.68626647303567 0.08333333333333 0.28716664724537 15.999 > 127 128 O 0.68626647303567 0.41666666666667 0.28716664724537 15.999 > 127 129 O 0.68626647303567 0.75000000000000 0.28716664724537 15.999 > 127 130 O 0.68626647303567 0.08333333333333 0.62049998057871 15.999 > 127 131 O 0.68626647303567 0.41666666666667 0.62049998057871 15.999 > 127 132 O 0.68626647303567 0.75000000000000 0.62049998057871 15.999 > 127 133 O 0.68626647303567 0.08333333333333 0.95383331391204 15.999 > 127 134 O 0.68626647303567 0.41666666666667 0.95383331391204 15.999 > 127 135 O 0.68626647303567 0.75000000000000 0.95383331391204 15.999 > 127 136 O 0.92934192231966 0.25000000000000 0.27663659335178 15.999 > 136 137 O 0.92934192231966 0.58333333333333 0.27663659335178 15.999 > 136 138 O 0.92934192231966 0.91666666666667 0.27663659335178 15.999 > 136 139 O 0.92934192231966 0.25000000000000 0.60996992668512 15.999 > 136 140 O 0.92934192231966 0.58333333333333 0.60996992668512 15.999 > 136 141 O 0.92934192231966 0.91666666666667 0.60996992668512 15.999 > 136 142 O 0.92934192231966 0.25000000000000 0.94330326001845 15.999 > 136 143 O 0.92934192231966 0.58333333333333 0.94330326001845 15.999 > 136 144 O 0.92934192231966 0.91666666666667 0.94330326001845 15.999 > 136 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.5453876 0.0000000 0.0000000 0.0000000 3.6793864 0.0000000 0.0000000 0.0000000 3.5450611 -------------------------- Born effective charges -------------------------- 1 Ho 3.6723587 0.0000000 -0.0744116 0.0000000 4.1063276 0.0000000 0.0137068 0.0000000 3.2576960 2 Ho 3.6723587 0.0000000 0.0744116 0.0000000 4.1063276 0.0000000 -0.0137068 0.0000000 3.2576960 3 Ho 3.6723587 0.0000000 0.0744116 0.0000000 4.1063276 0.0000000 -0.0137068 0.0000000 3.2576960 4 Ho 3.6723587 0.0000000 -0.0744116 0.0000000 4.1063276 0.0000000 0.0137068 0.0000000 3.2576960 5 H 0.5748070 0.0000000 -0.6269189 0.0000000 0.2350672 0.0000000 -0.6264549 0.0000000 1.4319357 6 H 0.5748070 0.0000000 0.6269189 0.0000000 0.2350672 0.0000000 0.6264549 0.0000000 1.4319357 7 H 0.5748070 0.0000000 0.6269189 0.0000000 0.2350672 0.0000000 0.6264549 0.0000000 1.4319357 8 H 0.5748070 0.0000000 -0.6269189 0.0000000 0.2350672 0.0000000 -0.6264549 0.0000000 1.4319357 9 O -2.2188473 0.0000000 -0.2157509 0.0000000 -1.8076322 0.0000000 -0.2300761 0.0000000 -2.0915194 10 O -2.0283184 0.0000000 -0.4660208 0.0000000 -2.5337626 0.0000000 -0.4782582 0.0000000 -2.5981123 11 O -2.0283184 0.0000000 0.4660208 0.0000000 -2.5337626 0.0000000 0.4782582 0.0000000 -2.5981123 12 O -2.2188473 0.0000000 0.2157509 0.0000000 -1.8076322 0.0000000 0.2300761 0.0000000 -2.0915194 13 O -2.2188473 0.0000000 0.2157509 0.0000000 -1.8076322 0.0000000 0.2300761 0.0000000 -2.0915194 14 O -2.0283184 0.0000000 0.4660208 0.0000000 -2.5337626 0.0000000 0.4782582 0.0000000 -2.5981123 15 O -2.0283184 0.0000000 -0.4660208 0.0000000 -2.5337626 0.0000000 -0.4782582 0.0000000 -2.5981123 16 O -2.2188473 0.0000000 -0.2157509 0.0000000 -1.8076322 0.0000000 -0.2300761 0.0000000 -2.0915194 ---------------------------------------------------------------------------- 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[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 82, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) 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 23:23:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:23:00]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 3 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.651127029999998 0.000000000000000 0.000000000000000 b 0.000000000000000 3.475507809999999 0.000000000000000 c 0.000000000000000 0.000000000000000 4.973689750000000 Atomic positions (fractional): 1 Ho 0.85713338568477 0.25000000000000 0.10829748403731 164.930 2 Ho 0.35713338568477 0.25000000000000 0.39170251596270 164.930 3 Ho 0.64286661431523 0.75000000000000 0.60829748403730 164.930 4 Ho 0.14286661431523 0.75000000000000 0.89170251596269 164.930 5 H 0.60449722012255 0.25000000000000 0.13775411444492 1.008 6 H 0.10449722012255 0.25000000000000 0.36224588555508 1.008 7 H 0.89550277987745 0.75000000000000 0.63775411444492 1.008 8 H 0.39550277987745 0.75000000000000 0.86224588555508 1.008 9 O 0.07065807768034 0.25000000000000 0.17009021994465 15.999 10 O 0.31373352696433 0.75000000000000 0.13850005826388 15.999 11 O 0.81373352696433 0.75000000000000 0.36149994173612 15.999 12 O 0.57065807768034 0.25000000000000 0.32990978005535 15.999 13 O 0.42934192231966 0.75000000000000 0.67009021994465 15.999 14 O 0.18626647303567 0.25000000000000 0.63850005826388 15.999 15 O 0.68626647303567 0.25000000000000 0.86149994173612 15.999 16 O 0.92934192231966 0.75000000000000 0.82990978005535 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.651127029999998 0.000000000000000 0.000000000000000 b 0.000000000000000 10.426523429999996 0.000000000000000 c 0.000000000000000 0.000000000000000 14.921069250000000 Atomic positions (fractional): 1 Ho 0.85713338568477 0.08333333333333 0.03609916134577 164.930 > 1 2 Ho 0.85713338568477 0.41666666666667 0.03609916134577 164.930 > 1 3 Ho 0.85713338568477 0.75000000000000 0.03609916134577 164.930 > 1 4 Ho 0.85713338568477 0.08333333333333 0.36943249467910 164.930 > 1 5 Ho 0.85713338568477 0.41666666666667 0.36943249467910 164.930 > 1 6 Ho 0.85713338568477 0.75000000000000 0.36943249467910 164.930 > 1 7 Ho 0.85713338568477 0.08333333333333 0.70276582801244 164.930 > 1 8 Ho 0.85713338568477 0.41666666666667 0.70276582801244 164.930 > 1 9 Ho 0.85713338568477 0.75000000000000 0.70276582801244 164.930 > 1 10 Ho 0.35713338568477 0.08333333333333 0.13056750532090 164.930 > 10 11 Ho 0.35713338568477 0.41666666666667 0.13056750532090 164.930 > 10 12 Ho 0.35713338568477 0.75000000000000 0.13056750532090 164.930 > 10 13 Ho 0.35713338568477 0.08333333333333 0.46390083865423 164.930 > 10 14 Ho 0.35713338568477 0.41666666666667 0.46390083865423 164.930 > 10 15 Ho 0.35713338568477 0.75000000000000 0.46390083865423 164.930 > 10 16 Ho 0.35713338568477 0.08333333333333 0.79723417198757 164.930 > 10 17 Ho 0.35713338568477 0.41666666666667 0.79723417198757 164.930 > 10 18 Ho 0.35713338568477 0.75000000000000 0.79723417198757 164.930 > 10 19 Ho 0.64286661431523 0.25000000000000 0.20276582801243 164.930 > 19 20 Ho 0.64286661431523 0.58333333333333 0.20276582801243 164.930 > 19 21 Ho 0.64286661431523 0.91666666666667 0.20276582801243 164.930 > 19 22 Ho 0.64286661431523 0.25000000000000 0.53609916134577 164.930 > 19 23 Ho 0.64286661431523 0.58333333333333 0.53609916134577 164.930 > 19 24 Ho 0.64286661431523 0.91666666666667 0.53609916134577 164.930 > 19 25 Ho 0.64286661431523 0.25000000000000 0.86943249467910 164.930 > 19 26 Ho 0.64286661431523 0.58333333333333 0.86943249467910 164.930 > 19 27 Ho 0.64286661431523 0.91666666666667 0.86943249467910 164.930 > 19 28 Ho 0.14286661431523 0.25000000000000 0.29723417198756 164.930 > 28 29 Ho 0.14286661431523 0.58333333333333 0.29723417198756 164.930 > 28 30 Ho 0.14286661431523 0.91666666666667 0.29723417198756 164.930 > 28 31 Ho 0.14286661431523 0.25000000000000 0.63056750532090 164.930 > 28 32 Ho 0.14286661431523 0.58333333333333 0.63056750532090 164.930 > 28 33 Ho 0.14286661431523 0.91666666666667 0.63056750532090 164.930 > 28 34 Ho 0.14286661431523 0.25000000000000 0.96390083865423 164.930 > 28 35 Ho 0.14286661431523 0.58333333333333 0.96390083865423 164.930 > 28 36 Ho 0.14286661431523 0.91666666666667 0.96390083865423 164.930 > 28 37 H 0.60449722012255 0.08333333333333 0.04591803814831 1.008 > 37 38 H 0.60449722012255 0.41666666666667 0.04591803814831 1.008 > 37 39 H 0.60449722012255 0.75000000000000 0.04591803814831 1.008 > 37 40 H 0.60449722012255 0.08333333333333 0.37925137148164 1.008 > 37 41 H 0.60449722012255 0.41666666666667 0.37925137148164 1.008 > 37 42 H 0.60449722012255 0.75000000000000 0.37925137148164 1.008 > 37 43 H 0.60449722012255 0.08333333333333 0.71258470481497 1.008 > 37 44 H 0.60449722012255 0.41666666666667 0.71258470481497 1.008 > 37 45 H 0.60449722012255 0.75000000000000 0.71258470481497 1.008 > 37 46 H 0.10449722012255 0.08333333333333 0.12074862851836 1.008 > 46 47 H 0.10449722012255 0.41666666666667 0.12074862851836 1.008 > 46 48 H 0.10449722012255 0.75000000000000 0.12074862851836 1.008 > 46 49 H 0.10449722012255 0.08333333333333 0.45408196185169 1.008 > 46 50 H 0.10449722012255 0.41666666666667 0.45408196185169 1.008 > 46 51 H 0.10449722012255 0.75000000000000 0.45408196185169 1.008 > 46 52 H 0.10449722012255 0.08333333333333 0.78741529518503 1.008 > 46 53 H 0.10449722012255 0.41666666666667 0.78741529518503 1.008 > 46 54 H 0.10449722012255 0.75000000000000 0.78741529518503 1.008 > 46 55 H 0.89550277987745 0.25000000000000 0.21258470481497 1.008 > 55 56 H 0.89550277987745 0.58333333333333 0.21258470481497 1.008 > 55 57 H 0.89550277987745 0.91666666666667 0.21258470481497 1.008 > 55 58 H 0.89550277987745 0.25000000000000 0.54591803814831 1.008 > 55 59 H 0.89550277987745 0.58333333333333 0.54591803814831 1.008 > 55 60 H 0.89550277987745 0.91666666666667 0.54591803814831 1.008 > 55 61 H 0.89550277987745 0.25000000000000 0.87925137148164 1.008 > 55 62 H 0.89550277987745 0.58333333333333 0.87925137148164 1.008 > 55 63 H 0.89550277987745 0.91666666666667 0.87925137148164 1.008 > 55 64 H 0.39550277987745 0.25000000000000 0.28741529518503 1.008 > 64 65 H 0.39550277987745 0.58333333333333 0.28741529518503 1.008 > 64 66 H 0.39550277987745 0.91666666666667 0.28741529518503 1.008 > 64 67 H 0.39550277987745 0.25000000000000 0.62074862851836 1.008 > 64 68 H 0.39550277987745 0.58333333333333 0.62074862851836 1.008 > 64 69 H 0.39550277987745 0.91666666666667 0.62074862851836 1.008 > 64 70 H 0.39550277987745 0.25000000000000 0.95408196185169 1.008 > 64 71 H 0.39550277987745 0.58333333333333 0.95408196185169 1.008 > 64 72 H 0.39550277987745 0.91666666666667 0.95408196185169 1.008 > 64 73 O 0.07065807768034 0.08333333333333 0.05669673998155 15.999 > 73 74 O 0.07065807768034 0.41666666666667 0.05669673998155 15.999 > 73 75 O 0.07065807768034 0.75000000000000 0.05669673998155 15.999 > 73 76 O 0.07065807768034 0.08333333333333 0.39003007331488 15.999 > 73 77 O 0.07065807768034 0.41666666666667 0.39003007331488 15.999 > 73 78 O 0.07065807768034 0.75000000000000 0.39003007331488 15.999 > 73 79 O 0.07065807768034 0.08333333333333 0.72336340664822 15.999 > 73 80 O 0.07065807768034 0.41666666666667 0.72336340664822 15.999 > 73 81 O 0.07065807768034 0.75000000000000 0.72336340664822 15.999 > 73 82 O 0.31373352696433 0.25000000000000 0.04616668608796 15.999 > 82 83 O 0.31373352696433 0.58333333333333 0.04616668608796 15.999 > 82 84 O 0.31373352696433 0.91666666666667 0.04616668608796 15.999 > 82 85 O 0.31373352696433 0.25000000000000 0.37950001942129 15.999 > 82 86 O 0.31373352696433 0.58333333333333 0.37950001942129 15.999 > 82 87 O 0.31373352696433 0.91666666666667 0.37950001942129 15.999 > 82 88 O 0.31373352696433 0.25000000000000 0.71283335275463 15.999 > 82 89 O 0.31373352696433 0.58333333333333 0.71283335275463 15.999 > 82 90 O 0.31373352696433 0.91666666666667 0.71283335275463 15.999 > 82 91 O 0.81373352696433 0.25000000000000 0.12049998057871 15.999 > 91 92 O 0.81373352696433 0.58333333333333 0.12049998057871 15.999 > 91 93 O 0.81373352696433 0.91666666666667 0.12049998057871 15.999 > 91 94 O 0.81373352696433 0.25000000000000 0.45383331391204 15.999 > 91 95 O 0.81373352696433 0.58333333333333 0.45383331391204 15.999 > 91 96 O 0.81373352696433 0.91666666666667 0.45383331391204 15.999 > 91 97 O 0.81373352696433 0.25000000000000 0.78716664724537 15.999 > 91 98 O 0.81373352696433 0.58333333333333 0.78716664724537 15.999 > 91 99 O 0.81373352696433 0.91666666666667 0.78716664724537 15.999 > 91 100 O 0.57065807768034 0.08333333333333 0.10996992668512 15.999 > 100 101 O 0.57065807768034 0.41666666666667 0.10996992668512 15.999 > 100 102 O 0.57065807768034 0.75000000000000 0.10996992668512 15.999 > 100 103 O 0.57065807768034 0.08333333333333 0.44330326001845 15.999 > 100 104 O 0.57065807768034 0.41666666666667 0.44330326001845 15.999 > 100 105 O 0.57065807768034 0.75000000000000 0.44330326001845 15.999 > 100 106 O 0.57065807768034 0.08333333333333 0.77663659335178 15.999 > 100 107 O 0.57065807768034 0.41666666666667 0.77663659335178 15.999 > 100 108 O 0.57065807768034 0.75000000000000 0.77663659335178 15.999 > 100 109 O 0.42934192231966 0.25000000000000 0.22336340664822 15.999 > 109 110 O 0.42934192231966 0.58333333333333 0.22336340664822 15.999 > 109 111 O 0.42934192231966 0.91666666666667 0.22336340664822 15.999 > 109 112 O 0.42934192231966 0.25000000000000 0.55669673998155 15.999 > 109 113 O 0.42934192231966 0.58333333333333 0.55669673998155 15.999 > 109 114 O 0.42934192231966 0.91666666666667 0.55669673998155 15.999 > 109 115 O 0.42934192231966 0.25000000000000 0.89003007331488 15.999 > 109 116 O 0.42934192231966 0.58333333333333 0.89003007331488 15.999 > 109 117 O 0.42934192231966 0.91666666666667 0.89003007331488 15.999 > 109 118 O 0.18626647303567 0.08333333333333 0.21283335275463 15.999 > 118 119 O 0.18626647303567 0.41666666666667 0.21283335275463 15.999 > 118 120 O 0.18626647303567 0.75000000000000 0.21283335275463 15.999 > 118 121 O 0.18626647303567 0.08333333333333 0.54616668608796 15.999 > 118 122 O 0.18626647303567 0.41666666666667 0.54616668608796 15.999 > 118 123 O 0.18626647303567 0.75000000000000 0.54616668608796 15.999 > 118 124 O 0.18626647303567 0.08333333333333 0.87950001942129 15.999 > 118 125 O 0.18626647303567 0.41666666666667 0.87950001942129 15.999 > 118 126 O 0.18626647303567 0.75000000000000 0.87950001942129 15.999 > 118 127 O 0.68626647303567 0.08333333333333 0.28716664724537 15.999 > 127 128 O 0.68626647303567 0.41666666666667 0.28716664724537 15.999 > 127 129 O 0.68626647303567 0.75000000000000 0.28716664724537 15.999 > 127 130 O 0.68626647303567 0.08333333333333 0.62049998057871 15.999 > 127 131 O 0.68626647303567 0.41666666666667 0.62049998057871 15.999 > 127 132 O 0.68626647303567 0.75000000000000 0.62049998057871 15.999 > 127 133 O 0.68626647303567 0.08333333333333 0.95383331391204 15.999 > 127 134 O 0.68626647303567 0.41666666666667 0.95383331391204 15.999 > 127 135 O 0.68626647303567 0.75000000000000 0.95383331391204 15.999 > 127 136 O 0.92934192231966 0.25000000000000 0.27663659335178 15.999 > 136 137 O 0.92934192231966 0.58333333333333 0.27663659335178 15.999 > 136 138 O 0.92934192231966 0.91666666666667 0.27663659335178 15.999 > 136 139 O 0.92934192231966 0.25000000000000 0.60996992668512 15.999 > 136 140 O 0.92934192231966 0.58333333333333 0.60996992668512 15.999 > 136 141 O 0.92934192231966 0.91666666666667 0.60996992668512 15.999 > 136 142 O 0.92934192231966 0.25000000000000 0.94330326001845 15.999 > 136 143 O 0.92934192231966 0.58333333333333 0.94330326001845 15.999 > 136 144 O 0.92934192231966 0.91666666666667 0.94330326001845 15.999 > 136 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.5453876 0.0000000 0.0000000 0.0000000 3.6793864 0.0000000 0.0000000 0.0000000 3.5450611 -------------------------- Born effective charges -------------------------- 1 Ho 3.6723587 0.0000000 -0.0744116 0.0000000 4.1063276 0.0000000 0.0137068 0.0000000 3.2576960 2 Ho 3.6723587 0.0000000 0.0744116 0.0000000 4.1063276 0.0000000 -0.0137068 0.0000000 3.2576960 3 Ho 3.6723587 0.0000000 0.0744116 0.0000000 4.1063276 0.0000000 -0.0137068 0.0000000 3.2576960 4 Ho 3.6723587 0.0000000 -0.0744116 0.0000000 4.1063276 0.0000000 0.0137068 0.0000000 3.2576960 5 H 0.5748070 0.0000000 -0.6269189 0.0000000 0.2350672 0.0000000 -0.6264549 0.0000000 1.4319357 6 H 0.5748070 0.0000000 0.6269189 0.0000000 0.2350672 0.0000000 0.6264549 0.0000000 1.4319357 7 H 0.5748070 0.0000000 0.6269189 0.0000000 0.2350672 0.0000000 0.6264549 0.0000000 1.4319357 8 H 0.5748070 0.0000000 -0.6269189 0.0000000 0.2350672 0.0000000 -0.6264549 0.0000000 1.4319357 9 O -2.2188473 0.0000000 -0.2157509 0.0000000 -1.8076322 0.0000000 -0.2300761 0.0000000 -2.0915194 10 O -2.0283184 0.0000000 -0.4660208 0.0000000 -2.5337626 0.0000000 -0.4782582 0.0000000 -2.5981123 11 O -2.0283184 0.0000000 0.4660208 0.0000000 -2.5337626 0.0000000 0.4782582 0.0000000 -2.5981123 12 O -2.2188473 0.0000000 0.2157509 0.0000000 -1.8076322 0.0000000 0.2300761 0.0000000 -2.0915194 13 O -2.2188473 0.0000000 0.2157509 0.0000000 -1.8076322 0.0000000 0.2300761 0.0000000 -2.0915194 14 O -2.0283184 0.0000000 0.4660208 0.0000000 -2.5337626 0.0000000 0.4782582 0.0000000 -2.5981123 15 O -2.0283184 0.0000000 -0.4660208 0.0000000 -2.5337626 0.0000000 -0.4782582 0.0000000 -2.5981123 16 O -2.2188473 0.0000000 -0.2157509 0.0000000 -1.8076322 0.0000000 -0.2300761 0.0000000 -2.0915194 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 14 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: 0.73, Number of G-points: 317, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/144) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 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 1.769 ( 0.000 0.000 0.000) 0.000 2.024 ( 0.000 0.000 0.000) 0.000 2.432 ( 0.000 0.000 0.000) 0.000 2.914 ( 0.000 0.000 0.000) 0.000 3.334 ( 0.000 0.000 0.000) 0.000 3.684 ( 0.000 0.000 0.000) 0.000 3.739 ( 0.000 0.000 0.000) 0.000 4.103 ( 0.000 0.000 0.000) 0.000 4.796 ( 0.000 0.000 0.000) 0.000 6.927 ( 0.000 0.000 0.000) 0.000 7.197 ( 0.000 0.000 0.000) 0.000 7.581 ( 0.000 0.000 0.000) 0.000 7.582 ( 0.000 0.000 0.000) 0.000 7.999 ( 0.000 0.000 0.000) 0.000 8.277 ( 0.000 0.000 0.000) 0.000 8.529 ( 0.000 0.000 0.000) 0.000 8.553 ( 0.000 0.000 0.000) 0.000 9.550 ( 0.000 0.000 0.000) 0.000 10.668 ( 0.000 0.000 0.000) 0.000 10.713 ( 0.000 0.000 0.000) 0.000 10.928 ( 0.000 0.000 0.000) 0.000 11.809 ( 0.000 0.000 0.000) 0.000 11.889 ( 0.000 0.000 0.000) 0.000 11.991 ( 0.000 0.000 0.000) 0.000 12.131 ( 0.000 0.000 0.000) 0.000 12.177 ( 0.000 0.000 0.000) 0.000 12.887 ( 0.000 0.000 0.000) 0.000 13.530 ( 0.000 0.000 0.000) 0.000 14.263 ( 0.000 0.000 0.000) 0.000 14.548 ( 0.000 0.000 0.000) 0.000 14.633 ( 0.000 0.000 0.000) 0.000 17.286 ( 0.000 0.000 0.000) 0.000 17.304 ( 0.000 0.000 0.000) 0.000 27.995 ( 0.000 0.000 0.000) 0.000 28.108 ( 0.000 0.000 0.000) 0.000 28.845 ( 0.000 0.000 0.000) 0.000 28.910 ( 0.000 0.000 0.000) 0.000 31.340 ( 0.000 0.000 0.000) 0.000 31.872 ( 0.000 0.000 0.000) 0.000 32.634 ( 0.000 0.000 0.000) 0.000 32.812 ( 0.000 0.000 0.000) 0.000 83.545 ( 0.000 0.000 0.000) 0.000 83.632 ( 0.000 0.000 0.000) 0.000 84.064 ( 0.000 0.000 0.000) 0.000 84.109 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/144) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.458 ( 24.022 0.000 0.000) 24.022 0.532 ( 27.776 0.000 0.000) 27.776 0.797 ( 40.775 0.000 0.000) 40.775 1.664 ( -9.653 0.000 0.000) 9.653 1.841 ( -16.166 0.000 0.000) 16.166 2.545 ( 8.801 0.000 0.000) 8.801 2.891 ( -2.488 0.000 0.000) 2.488 3.132 ( -34.340 0.000 0.000) 34.340 3.482 ( 8.237 0.000 0.000) 8.237 3.970 ( -1.309 0.000 0.000) 1.309 4.238 ( 16.262 0.000 0.000) 16.262 4.773 ( -2.539 0.000 0.000) 2.539 6.984 ( 5.875 0.000 0.000) 5.875 7.226 ( 3.031 0.000 0.000) 3.031 7.509 ( -7.223 0.000 0.000) 7.223 7.532 ( -4.851 0.000 0.000) 4.851 8.313 ( 3.519 0.000 0.000) 3.519 8.512 ( -1.755 0.000 0.000) 1.755 8.599 ( 4.536 0.000 0.000) 4.536 8.882 ( -2.629 0.000 0.000) 2.629 10.660 ( -0.335 0.000 0.000) 0.335 10.704 ( -0.850 0.000 0.000) 0.850 11.023 ( 9.492 0.000 0.000) 9.492 11.814 ( 0.531 0.000 0.000) 0.531 11.875 ( -1.238 0.000 0.000) 1.238 11.967 ( -18.083 0.000 0.000) 18.083 12.011 ( 1.834 0.000 0.000) 1.834 12.121 ( -1.113 0.000 0.000) 1.113 13.020 ( 13.267 0.000 0.000) 13.267 13.506 ( -2.666 0.000 0.000) 2.666 14.203 ( 0.299 0.000 0.000) 0.299 14.255 ( -0.843 0.000 0.000) 0.843 14.551 ( 0.283 0.000 0.000) 0.283 14.618 ( -1.439 0.000 0.000) 1.439 17.327 ( 4.203 0.000 0.000) 4.203 17.645 ( -3.564 0.000 0.000) 3.564 28.005 ( 1.050 0.000 0.000) 1.050 28.097 ( -1.201 0.000 0.000) 1.201 28.852 ( 0.717 0.000 0.000) 0.717 28.905 ( -0.566 0.000 0.000) 0.566 31.900 ( 2.982 0.000 0.000) 2.982 32.194 ( -4.712 0.000 0.000) 4.712 32.665 ( 2.809 0.000 0.000) 2.809 32.802 ( -1.074 0.000 0.000) 1.074 83.570 ( 2.679 0.000 0.000) 2.679 83.912 ( -8.689 0.000 0.000) 8.689 84.267 ( 9.301 0.000 0.000) 9.301 84.659 ( -3.298 0.000 0.000) 3.298 ======================= Grid point 2 (3/144) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( 21.850 0.000 0.000) 21.850 1.034 ( 25.457 0.000 0.000) 25.457 1.231 ( -8.994 0.000 0.000) 8.994 1.480 ( -21.815 0.000 0.000) 21.815 1.732 ( 31.913 0.000 0.000) 31.913 2.442 ( -38.613 0.000 0.000) 38.613 2.703 ( 7.492 0.000 0.000) 7.492 2.820 ( -5.019 0.000 0.000) 5.019 3.670 ( 10.787 0.000 0.000) 10.787 3.859 ( -8.738 0.000 0.000) 8.738 4.519 ( 12.190 0.000 0.000) 12.190 4.691 ( -6.467 0.000 0.000) 6.467 7.136 ( 9.883 0.000 0.000) 9.883 7.307 ( 5.432 0.000 0.000) 5.432 7.334 ( -10.601 0.000 0.000) 10.601 7.421 ( -6.420 0.000 0.000) 6.420 8.391 ( 4.293 0.000 0.000) 4.293 8.464 ( -3.340 0.000 0.000) 3.340 8.703 ( 6.034 0.000 0.000) 6.034 8.810 ( -4.952 0.000 0.000) 4.952 10.664 ( 0.743 0.000 0.000) 0.743 10.684 ( -1.210 0.000 0.000) 1.210 11.265 ( 15.833 0.000 0.000) 15.833 11.601 ( -19.514 0.000 0.000) 19.514 11.828 ( 0.995 0.000 0.000) 0.995 11.850 ( -1.312 0.000 0.000) 1.312 12.051 ( 2.270 0.000 0.000) 2.270 12.091 ( -1.944 0.000 0.000) 1.944 13.258 ( 11.099 0.000 0.000) 11.099 13.423 ( -6.426 0.000 0.000) 6.426 14.214 ( 0.888 0.000 0.000) 0.888 14.235 ( -1.215 0.000 0.000) 1.215 14.561 ( 0.929 0.000 0.000) 0.929 14.586 ( -1.672 0.000 0.000) 1.672 17.431 ( 6.429 0.000 0.000) 6.429 17.552 ( -6.039 0.000 0.000) 6.039 28.032 ( 1.761 0.000 0.000) 1.761 28.067 ( -1.853 0.000 0.000) 1.853 28.870 ( 1.070 0.000 0.000) 1.070 28.890 ( -0.978 0.000 0.000) 0.978 31.979 ( 5.238 0.000 0.000) 5.238 32.088 ( -6.101 0.000 0.000) 6.101 32.722 ( 3.020 0.000 0.000) 3.020 32.772 ( -2.154 0.000 0.000) 2.154 83.644 ( 5.157 0.000 0.000) 5.157 83.761 ( -7.235 0.000 0.000) 7.235 84.433 ( 8.229 0.000 0.000) 8.229 84.569 ( -6.155 0.000 0.000) 6.155 ======================= Grid point 5 (4/144) ======================= q-point: ( 0.00 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.489 ( 0.000 24.534 0.000) 24.534 0.584 ( 0.000 28.065 0.000) 28.065 1.134 ( 0.000 54.418 0.000) 54.418 1.836 ( 0.000 6.399 0.000) 6.399 2.146 ( 0.000 10.336 0.000) 10.336 2.588 ( 0.000 13.269 0.000) 13.269 3.092 ( 0.000 13.615 0.000) 13.615 3.379 ( 0.000 6.881 0.000) 6.881 3.772 ( 0.000 9.039 0.000) 9.039 3.809 ( 0.000 7.467 0.000) 7.467 4.070 ( 0.000 -2.990 0.000) 2.990 4.770 ( 0.000 -2.481 0.000) 2.481 6.975 ( 0.000 4.614 0.000) 4.614 7.411 ( 0.000 -12.222 0.000) 12.222 7.544 ( 0.000 -3.290 0.000) 3.290 7.983 ( 0.000 -1.703 0.000) 1.703 8.525 ( 0.000 19.483 0.000) 19.483 8.609 ( 0.000 7.104 0.000) 7.104 8.615 ( 0.000 5.674 0.000) 5.674 9.564 ( 0.000 1.891 0.000) 1.891 9.710 ( 0.000 -9.152 0.000) 9.152 10.668 ( 0.000 -0.137 0.000) 0.137 10.746 ( 0.000 2.539 0.000) 2.539 10.949 ( 0.000 2.066 0.000) 2.066 11.617 ( 0.000 -29.120 0.000) 29.120 11.884 ( 0.000 7.130 0.000) 7.130 11.971 ( 0.000 7.794 0.000) 7.794 12.172 ( 0.000 -0.464 0.000) 0.464 12.863 ( 0.000 -2.317 0.000) 2.317 13.893 ( 0.000 27.602 0.000) 27.602 14.178 ( 0.000 -8.130 0.000) 8.130 14.518 ( 0.000 -2.886 0.000) 2.886 14.591 ( 0.000 -3.671 0.000) 3.671 16.079 ( 0.000 -1.665 0.000) 1.665 17.192 ( 0.000 -8.870 0.000) 8.870 17.229 ( 0.000 -7.143 0.000) 7.143 28.072 ( 0.000 7.312 0.000) 7.312 28.891 ( 0.000 3.079 0.000) 3.079 28.891 ( 0.000 4.379 0.000) 4.379 28.958 ( 0.000 4.554 0.000) 4.554 31.356 ( 0.000 1.535 0.000) 1.535 31.852 ( 0.000 -1.765 0.000) 1.765 32.615 ( 0.000 -1.823 0.000) 1.823 32.768 ( 0.000 -4.122 0.000) 4.122 83.535 ( 0.000 -0.885 0.000) 0.885 83.623 ( 0.000 -0.798 0.000) 0.798 84.030 ( 0.000 -3.088 0.000) 3.088 84.062 ( 0.000 -4.250 0.000) 4.250 ======================= Grid point 6 (5/144) ======================= q-point: ( 0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.663 ( 15.924 17.507 0.000) 23.665 0.734 ( 16.137 19.665 0.000) 25.439 1.391 ( 20.834 41.932 0.000) 46.822 1.732 ( -7.433 8.497 0.000) 11.289 1.951 ( -17.115 9.122 0.000) 19.394 2.707 ( 9.086 14.006 0.000) 16.695 3.080 ( -1.862 15.663 0.000) 15.773 3.268 ( -30.387 13.602 0.000) 33.292 3.466 ( 8.345 2.508 0.000) 8.714 3.976 ( -3.715 0.264 0.000) 3.725 4.244 ( 17.041 1.508 0.000) 17.108 4.748 ( -2.370 -2.219 0.000) 3.247 7.010 ( 3.839 3.494 0.000) 5.191 7.366 ( -4.606 -10.123 0.000) 11.121 7.519 ( -2.554 -1.910 0.000) 3.189 7.621 ( -19.526 17.435 0.000) 26.177 8.491 ( -1.840 12.580 0.000) 12.714 8.515 ( -3.351 1.949 0.000) 3.876 8.695 ( 6.518 10.397 0.000) 12.271 9.090 ( -9.183 14.768 0.000) 17.391 10.643 ( 11.863 -17.190 0.000) 20.887 10.663 ( -0.204 0.080 0.000) 0.219 10.923 ( 32.649 -32.986 0.000) 46.412 11.040 ( 9.194 1.706 0.000) 9.350 11.606 ( -1.280 -30.280 0.000) 30.307 11.890 ( 0.561 6.990 0.000) 7.012 11.961 ( -0.933 7.460 0.000) 7.518 11.973 ( -17.047 -0.019 0.000) 17.047 13.059 ( 16.556 -2.334 0.000) 16.719 13.819 ( -7.200 17.477 0.000) 18.902 14.247 ( 6.651 3.391 0.000) 7.465 14.518 ( 0.049 -3.100 0.000) 3.101 14.579 ( -1.173 -3.257 0.000) 3.462 15.318 ( -44.993 40.721 0.000) 60.684 17.229 ( 3.762 -9.227 0.000) 9.964 17.411 ( 5.290 -16.179 0.000) 17.022 28.088 ( 1.693 7.785 0.000) 7.967 28.477 ( -20.609 20.539 0.000) 29.096 28.905 ( 0.653 4.965 0.000) 5.008 28.953 ( -0.523 4.590 0.000) 4.620 31.792 ( 20.093 -19.593 0.000) 28.064 31.874 ( 2.216 -2.356 0.000) 3.234 32.626 ( 1.541 -2.414 0.000) 2.864 32.758 ( -1.144 -4.145 0.000) 4.300 83.560 ( 2.637 -0.961 0.000) 2.807 83.889 ( -8.106 -2.176 0.000) 8.394 84.067 ( 24.707 -26.110 0.000) 35.947 84.197 ( 7.230 -6.274 0.000) 9.573 ======================= Grid point 7 (6/144) ======================= q-point: ( 0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( 18.877 10.826 0.000) 21.761 1.113 ( 20.555 9.334 0.000) 22.575 1.381 ( -13.858 10.401 0.000) 17.327 1.577 ( -21.766 8.060 0.000) 23.210 2.025 ( 31.356 27.950 0.000) 42.005 2.637 ( -31.245 18.473 0.000) 36.298 2.899 ( 5.769 17.598 0.000) 18.519 3.014 ( -5.078 16.987 0.000) 17.730 3.655 ( 10.894 -0.204 0.000) 10.896 3.848 ( -9.053 -0.714 0.000) 9.081 4.515 ( 11.350 0.080 0.000) 11.350 4.674 ( -5.888 -1.410 0.000) 6.055 7.114 ( 6.930 -0.354 0.000) 6.939 7.252 ( -7.157 -5.517 0.000) 9.036 7.442 ( -2.185 9.287 0.000) 9.540 7.461 ( -2.924 2.305 0.000) 3.723 8.473 ( -0.161 6.205 0.000) 6.207 8.481 ( -0.975 1.715 0.000) 1.972 8.829 ( 7.322 12.136 0.000) 14.174 8.960 ( -6.517 13.157 0.000) 14.682 10.668 ( 0.613 0.033 0.000) 0.614 10.680 ( -0.484 -1.220 0.000) 1.313 11.272 ( 14.797 0.331 0.000) 14.801 11.376 ( 12.464 -39.538 0.000) 41.456 11.561 ( -3.780 -33.482 0.000) 33.694 11.628 ( -17.292 -1.784 0.000) 17.384 11.911 ( 1.319 6.908 0.000) 7.032 11.938 ( -1.451 6.937 0.000) 7.087 13.377 ( 15.985 0.461 0.000) 15.992 13.639 ( -11.821 6.902 0.000) 13.688 14.413 ( 10.958 16.799 0.000) 20.057 14.522 ( 0.159 -3.447 0.000) 3.450 14.556 ( -0.740 -0.602 0.000) 0.954 14.723 ( -20.799 35.229 0.000) 40.911 17.320 ( 5.403 -10.342 0.000) 11.668 17.410 ( -3.533 -12.558 0.000) 13.045 28.137 ( 3.674 9.551 0.000) 10.233 28.237 ( -7.564 13.902 0.000) 15.827 28.921 ( 0.974 4.841 0.000) 4.938 28.939 ( -0.898 4.693 0.000) 4.779 31.926 ( 2.944 -4.587 0.000) 5.450 31.956 ( 1.085 -10.357 0.000) 10.414 32.673 ( 3.037 -3.887 0.000) 4.933 32.725 ( -2.321 -4.186 0.000) 4.786 83.633 ( 5.036 -1.093 0.000) 5.154 83.746 ( -6.942 -1.437 0.000) 7.089 84.307 ( 3.977 -10.786 0.000) 11.496 84.316 ( 4.245 -18.884 0.000) 19.355 ======================= Grid point 10 (7/144) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( 0.000 25.684 0.000) 25.684 1.147 ( 0.000 26.558 0.000) 26.558 1.987 ( 0.000 11.812 0.000) 11.812 2.250 ( 0.000 49.703 0.000) 49.703 2.369 ( 0.000 9.898 0.000) 9.898 2.866 ( 0.000 11.404 0.000) 11.404 3.243 ( 0.000 2.173 0.000) 2.173 3.775 ( 0.000 28.630 0.000) 28.630 3.987 ( 0.000 -4.410 0.000) 4.410 4.073 ( 0.000 20.213 0.000) 20.213 4.086 ( 0.000 19.450 0.000) 19.450 4.694 ( 0.000 -4.833 0.000) 4.833 7.118 ( 0.000 9.378 0.000) 9.378 7.175 ( 0.000 -10.050 0.000) 10.050 7.467 ( 0.000 -3.786 0.000) 3.786 7.923 ( 0.000 -4.225 0.000) 4.225 8.767 ( 0.000 8.711 0.000) 8.711 8.781 ( 0.000 8.880 0.000) 8.880 8.956 ( 0.000 21.029 0.000) 21.029 9.473 ( 0.000 -13.066 0.000) 13.066 9.656 ( 0.000 7.394 0.000) 7.394 10.650 ( 0.000 -1.923 0.000) 1.923 10.787 ( 0.000 0.909 0.000) 0.909 10.991 ( 0.000 -29.047 0.000) 29.047 11.016 ( 0.000 3.778 0.000) 3.778 12.089 ( 0.000 12.409 0.000) 12.409 12.160 ( 0.000 -0.651 0.000) 0.651 12.196 ( 0.000 13.606 0.000) 13.606 12.795 ( 0.000 -4.144 0.000) 4.144 13.943 ( 0.000 -14.231 0.000) 14.231 14.343 ( 0.000 4.211 0.000) 4.211 14.434 ( 0.000 -5.214 0.000) 5.214 14.603 ( 0.000 14.789 0.000) 14.789 16.027 ( 0.000 -3.391 0.000) 3.391 16.941 ( 0.000 -14.931 0.000) 14.931 17.020 ( 0.000 -12.879 0.000) 12.879 28.279 ( 0.000 12.342 0.000) 12.342 28.982 ( 0.000 5.660 0.000) 5.660 29.017 ( 0.000 7.540 0.000) 7.540 29.087 ( 0.000 7.620 0.000) 7.620 31.403 ( 0.000 3.073 0.000) 3.073 31.809 ( 0.000 -2.193 0.000) 2.193 32.561 ( 0.000 -3.429 0.000) 3.429 32.653 ( 0.000 -6.857 0.000) 6.857 83.511 ( 0.000 -1.453 0.000) 1.453 83.600 ( 0.000 -1.416 0.000) 1.416 83.949 ( 0.000 -4.535 0.000) 4.535 83.952 ( 0.000 -5.925 0.000) 5.925 ======================= Grid point 11 (8/144) ======================= q-point: ( 0.20 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( 8.923 23.290 0.000) 24.941 1.198 ( 6.163 23.747 0.000) 24.534 1.880 ( -10.729 12.004 0.000) 16.100 2.146 ( -18.810 8.857 0.000) 20.791 2.397 ( 14.730 46.990 0.000) 49.244 3.015 ( 10.919 13.479 0.000) 17.347 3.295 ( 4.660 3.278 0.000) 5.698 3.683 ( -21.399 24.558 0.000) 32.574 3.756 ( -1.519 25.258 0.000) 25.303 3.966 ( -4.566 -0.255 0.000) 4.573 4.369 ( 13.058 12.229 0.000) 17.890 4.689 ( -0.740 -3.191 0.000) 3.275 7.123 ( 0.435 7.306 0.000) 7.319 7.168 ( -0.717 -8.458 0.000) 8.488 7.473 ( 0.759 -2.223 0.000) 2.349 7.805 ( -11.130 2.727 0.000) 11.459 8.595 ( -9.230 5.247 0.000) 10.617 8.707 ( -5.073 9.288 0.000) 10.583 9.027 ( 6.169 19.176 0.000) 20.144 9.379 ( -4.549 12.470 0.000) 13.273 10.081 ( 27.436 -21.760 0.000) 35.017 10.650 ( -0.070 -1.851 0.000) 1.853 10.796 ( 0.946 -0.430 0.000) 1.039 10.966 ( -2.789 -29.230 0.000) 29.363 11.097 ( 8.468 3.364 0.000) 9.111 11.969 ( -16.208 0.057 0.000) 16.208 12.098 ( 0.617 12.490 0.000) 12.505 12.182 ( -1.375 13.439 0.000) 13.509 12.974 ( 15.441 -5.533 0.000) 16.402 13.829 ( -10.521 -10.882 0.000) 15.137 14.387 ( 2.494 -3.715 0.000) 4.475 14.428 ( -0.530 -5.526 0.000) 5.551 14.682 ( 9.011 20.060 0.000) 21.991 15.756 ( -23.441 8.889 0.000) 25.069 16.970 ( 2.878 -15.348 0.000) 15.616 17.076 ( 3.228 -16.574 0.000) 16.886 28.304 ( 2.738 12.708 0.000) 13.000 28.790 ( -14.607 11.716 0.000) 18.725 29.041 ( 0.843 7.817 0.000) 7.862 29.083 ( -0.430 7.665 0.000) 7.677 31.571 ( 13.200 -4.127 0.000) 13.830 31.817 ( 0.722 -2.824 0.000) 2.915 32.564 ( 0.452 -3.691 0.000) 3.718 32.643 ( -0.990 -6.690 0.000) 6.763 83.533 ( 2.503 -1.530 0.000) 2.934 83.753 ( 13.039 -8.345 0.000) 15.480 83.830 ( -6.711 -3.334 0.000) 7.494 84.041 ( 3.421 -8.041 0.000) 8.738 ======================= Grid point 12 (9/144) ======================= q-point: ( 0.40 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( 13.721 18.670 0.000) 23.170 1.391 ( 13.102 16.500 0.000) 21.069 1.634 ( -13.108 14.387 0.000) 19.463 1.767 ( -19.858 10.253 0.000) 22.349 2.751 ( 21.519 39.215 0.000) 44.732 3.112 ( -9.267 23.073 0.000) 24.864 3.347 ( -6.181 24.791 0.000) 25.550 3.358 ( 0.365 10.884 0.000) 10.890 3.756 ( 2.727 13.241 0.000) 13.519 3.855 ( -6.649 2.472 0.000) 7.094 4.561 ( 7.442 5.914 0.000) 9.506 4.657 ( -3.041 0.755 0.000) 3.133 7.134 ( 0.756 2.002 0.000) 2.140 7.151 ( -0.987 -4.036 0.000) 4.155 7.505 ( 3.019 1.920 0.000) 3.578 7.606 ( -8.231 6.066 0.000) 10.225 8.537 ( 1.555 3.935 0.000) 4.231 8.607 ( -5.079 6.997 0.000) 8.645 9.156 ( 7.160 17.969 0.000) 19.343 9.282 ( -6.015 16.812 0.000) 17.856 10.482 ( 14.321 -21.889 0.000) 26.158 10.631 ( -2.927 -6.395 0.000) 7.033 10.824 ( 2.337 -8.599 0.000) 8.911 10.893 ( -4.525 -24.669 0.000) 25.081 11.319 ( 14.811 2.014 0.000) 14.948 11.634 ( -18.130 0.983 0.000) 18.157 12.119 ( 1.446 12.804 0.000) 12.886 12.150 ( -1.841 13.098 0.000) 13.227 13.289 ( 16.956 -7.566 0.000) 18.567 13.588 ( -14.661 -8.876 0.000) 17.138 14.411 ( 0.464 -6.869 0.000) 6.885 14.418 ( -0.456 -6.301 0.000) 6.317 14.932 ( 16.927 22.569 0.000) 28.211 15.305 ( -22.656 20.014 0.000) 30.230 17.036 ( 3.752 -16.428 0.000) 16.851 17.091 ( -1.510 -17.532 0.000) 17.597 28.386 ( 6.082 13.751 0.000) 15.036 28.542 ( -10.826 14.668 0.000) 18.231 29.056 ( 0.824 7.914 0.000) 7.957 29.071 ( -0.737 7.785 0.000) 7.820 31.765 ( 6.381 -6.979 0.000) 9.457 31.823 ( -0.633 -4.732 0.000) 4.775 32.583 ( 1.586 -4.822 0.000) 5.076 32.617 ( -1.767 -6.069 0.000) 6.321 83.602 ( 4.734 -1.747 0.000) 5.046 83.707 ( -6.224 -2.260 0.000) 6.621 83.973 ( 8.685 -13.194 0.000) 15.796 84.065 ( -1.387 -11.381 0.000) 11.465 ======================= Grid point 15 (10/144) ======================= q-point: ( 0.00 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( 0.000 24.032 0.000) 24.032 1.671 ( 0.000 24.400 0.000) 24.400 2.212 ( 0.000 11.004 0.000) 11.004 2.537 ( 0.000 6.923 0.000) 6.923 3.021 ( 0.000 4.066 0.000) 4.066 3.241 ( 0.000 44.490 0.000) 44.490 3.266 ( 0.000 0.621 0.000) 0.621 3.879 ( 0.000 -5.791 0.000) 5.791 4.405 ( 0.000 30.879 0.000) 30.879 4.570 ( 0.000 26.812 0.000) 26.812 4.582 ( 0.000 -5.479 0.000) 5.479 4.593 ( 0.000 28.013 0.000) 28.013 7.011 ( 0.000 -5.746 0.000) 5.746 7.357 ( 0.000 13.621 0.000) 13.621 7.396 ( 0.000 -3.098 0.000) 3.098 7.816 ( 0.000 -5.757 0.000) 5.757 8.963 ( 0.000 8.935 0.000) 8.935 8.965 ( 0.000 10.420 0.000) 10.420 9.200 ( 0.000 -13.036 0.000) 13.036 9.354 ( 0.000 17.250 0.000) 17.250 9.843 ( 0.000 9.550 0.000) 9.550 10.436 ( 0.000 -23.808 0.000) 23.808 10.582 ( 0.000 -4.706 0.000) 4.706 10.770 ( 0.000 -2.630 0.000) 2.630 11.130 ( 0.000 6.516 0.000) 6.516 12.148 ( 0.000 -0.421 0.000) 0.421 12.376 ( 0.000 14.677 0.000) 14.677 12.500 ( 0.000 15.123 0.000) 15.123 12.703 ( 0.000 -4.151 0.000) 4.151 13.613 ( 0.000 -17.343 0.000) 17.343 14.234 ( 0.000 -8.385 0.000) 8.385 14.309 ( 0.000 -6.754 0.000) 6.754 15.003 ( 0.000 17.756 0.000) 17.756 15.941 ( 0.000 -4.828 0.000) 4.828 16.605 ( 0.000 -17.115 0.000) 17.115 16.717 ( 0.000 -16.116 0.000) 16.116 28.560 ( 0.000 14.530 0.000) 14.530 29.117 ( 0.000 7.292 0.000) 7.292 29.188 ( 0.000 8.736 0.000) 8.736 29.256 ( 0.000 8.408 0.000) 8.408 31.482 ( 0.000 4.535 0.000) 4.535 31.772 ( 0.000 -1.178 0.000) 1.178 32.477 ( 0.000 -4.675 0.000) 4.675 32.498 ( 0.000 -7.920 0.000) 7.920 83.479 ( 0.000 -1.535 0.000) 1.535 83.567 ( 0.000 -1.755 0.000) 1.755 83.836 ( 0.000 -5.079 0.000) 5.079 83.856 ( 0.000 -4.263 0.000) 4.263 ======================= Grid point 16 (11/144) ======================= q-point: ( 0.20 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( 5.651 22.935 0.000) 23.621 1.681 ( 1.631 23.042 0.000) 23.100 2.135 ( -7.712 12.751 0.000) 14.901 2.316 ( -17.389 8.217 0.000) 19.233 3.206 ( 13.613 5.056 0.000) 14.521 3.293 ( 5.224 16.463 0.000) 17.272 3.355 ( 8.700 25.354 0.000) 26.805 3.840 ( -3.941 -4.410 0.000) 5.915 4.275 ( -9.755 19.083 0.000) 21.432 4.346 ( -13.540 31.005 0.000) 33.832 4.681 ( 6.698 7.129 0.000) 9.782 4.745 ( 6.158 22.896 0.000) 23.709 7.030 ( 2.044 -4.807 0.000) 5.224 7.297 ( -5.487 9.009 0.000) 10.549 7.431 ( 3.788 -1.845 0.000) 4.213 7.808 ( -2.420 -0.876 0.000) 2.574 8.711 ( -11.321 5.519 0.000) 12.595 8.907 ( -5.732 10.377 0.000) 11.855 9.405 ( 4.843 16.751 0.000) 17.437 9.497 ( 15.172 -3.680 0.000) 15.612 9.864 ( 4.016 2.269 0.000) 4.613 10.399 ( -4.145 -22.705 0.000) 23.081 10.609 ( 2.717 -4.858 0.000) 5.567 10.766 ( -0.667 -2.849 0.000) 2.926 11.191 ( 6.571 5.522 0.000) 8.584 11.972 ( -15.178 0.324 0.000) 15.181 12.392 ( 1.165 15.392 0.000) 15.436 12.485 ( -1.460 15.240 0.000) 15.310 12.844 ( 12.279 -6.666 0.000) 13.971 13.538 ( -7.621 -16.140 0.000) 17.849 14.239 ( 0.457 -8.523 0.000) 8.535 14.298 ( -1.143 -7.000 0.000) 7.092 15.087 ( 8.605 16.610 0.000) 18.707 15.829 ( -10.926 -0.167 0.000) 10.928 16.626 ( 2.097 -17.444 0.000) 17.570 16.725 ( 0.388 -17.428 0.000) 17.432 28.589 ( 3.126 14.540 0.000) 14.872 29.008 ( -9.116 10.015 0.000) 13.543 29.212 ( 1.231 8.531 0.000) 8.619 29.252 ( -0.339 8.450 0.000) 8.457 31.556 ( 6.682 1.747 0.000) 6.906 31.771 ( -0.298 -1.477 0.000) 1.507 32.475 ( -0.137 -4.881 0.000) 4.883 32.494 ( -0.436 -7.621 0.000) 7.634 83.501 ( 2.353 -1.557 0.000) 2.822 83.636 ( 6.467 -4.031 0.000) 7.620 83.760 ( -5.165 -3.229 0.000) 6.091 83.889 ( 0.657 -6.432 0.000) 6.466 ======================= Grid point 17 (12/144) ======================= q-point: ( 0.40 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.724 ( 9.054 19.918 0.000) 21.879 1.756 ( 6.363 18.576 0.000) 19.636 1.957 ( -9.693 16.489 0.000) 19.127 2.003 ( -14.165 12.882 0.000) 19.147 3.401 ( 4.898 5.529 0.000) 7.387 3.407 ( 5.811 5.951 0.000) 8.318 3.561 ( 11.856 26.460 0.000) 28.995 3.741 ( -6.792 5.335 0.000) 8.636 4.108 ( -6.413 17.277 0.000) 18.429 4.118 ( -8.398 28.329 0.000) 29.548 4.783 ( 3.710 13.565 0.000) 14.063 4.811 ( 0.898 18.286 0.000) 18.308 7.088 ( 4.160 -2.019 0.000) 4.624 7.184 ( -5.904 2.581 0.000) 6.443 7.537 ( 7.384 1.154 0.000) 7.474 7.695 ( -8.572 3.080 0.000) 9.108 8.650 ( 3.605 7.075 0.000) 7.940 8.772 ( -7.849 9.276 0.000) 12.151 9.512 ( 5.922 15.780 0.000) 16.854 9.599 ( -2.173 12.562 0.000) 12.748 10.051 ( 13.294 -16.465 0.000) 21.162 10.272 ( -9.444 -20.740 0.000) 22.789 10.674 ( 3.786 -4.397 0.000) 5.802 10.737 ( -2.559 -3.510 0.000) 4.343 11.377 ( 12.963 3.425 0.000) 13.408 11.661 ( -16.716 1.633 0.000) 16.795 12.417 ( 1.621 15.655 0.000) 15.739 12.452 ( -1.951 15.495 0.000) 15.617 13.098 ( 13.919 -10.422 0.000) 17.388 13.347 ( -12.175 -13.645 0.000) 18.287 14.251 ( 0.872 -8.290 0.000) 8.336 14.273 ( -1.364 -7.625 0.000) 7.746 15.303 ( 13.709 13.358 0.000) 19.141 15.577 ( -14.847 7.676 0.000) 16.714 16.674 ( 2.716 -18.165 0.000) 18.367 16.716 ( -1.463 -18.489 0.000) 18.547 28.678 ( 6.394 14.342 0.000) 15.703 28.827 ( -9.290 13.121 0.000) 16.077 29.230 ( 0.792 8.630 0.000) 8.667 29.243 ( -0.602 8.554 0.000) 8.575 31.680 ( 5.578 -1.516 0.000) 5.781 31.751 ( -2.105 -2.041 0.000) 2.932 32.475 ( 0.232 -5.633 0.000) 5.637 32.484 ( -0.589 -6.756 0.000) 6.782 83.565 ( 4.381 -1.752 0.000) 4.718 83.659 ( -5.408 -2.236 0.000) 5.852 83.769 ( 6.774 -7.192 0.000) 9.880 83.866 ( -3.255 -7.803 0.000) 8.455 ======================= Grid point 20 (13/144) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( 0.000 19.592 0.000) 19.592 2.148 ( 0.000 22.042 0.000) 22.042 2.436 ( 0.000 10.672 0.000) 10.672 2.681 ( 0.000 7.634 0.000) 7.634 3.059 ( 0.000 0.129 0.000) 0.129 3.272 ( 0.000 -0.208 0.000) 0.208 3.748 ( 0.000 -7.043 0.000) 7.043 3.946 ( 0.000 17.085 0.000) 17.085 4.577 ( 0.000 11.571 0.000) 11.571 4.995 ( 0.000 25.750 0.000) 25.750 5.119 ( 0.000 25.375 0.000) 25.375 5.166 ( 0.000 26.372 0.000) 26.372 6.942 ( 0.000 -0.944 0.000) 0.944 7.339 ( 0.000 -2.462 0.000) 2.462 7.660 ( 0.000 15.091 0.000) 15.091 7.711 ( 0.000 -3.871 0.000) 3.871 8.960 ( 0.000 -9.633 0.000) 9.633 9.151 ( 0.000 9.229 0.000) 9.229 9.189 ( 0.000 11.211 0.000) 11.211 9.646 ( 0.000 10.200 0.000) 10.200 10.003 ( 0.000 5.374 0.000) 5.374 10.036 ( 0.000 -13.870 0.000) 13.870 10.457 ( 0.000 -7.366 0.000) 7.366 10.680 ( 0.000 -6.013 0.000) 6.013 11.275 ( 0.000 7.386 0.000) 7.386 12.145 ( 0.000 0.186 0.000) 0.186 12.526 ( 0.000 -3.182 0.000) 3.182 12.765 ( 0.000 7.974 0.000) 7.974 12.780 ( 0.000 14.519 0.000) 14.519 13.273 ( 0.000 -13.276 0.000) 13.276 14.058 ( 0.000 -8.433 0.000) 8.433 14.161 ( 0.000 -7.602 0.000) 7.602 15.290 ( 0.000 10.495 0.000) 10.495 15.835 ( 0.000 -5.284 0.000) 5.284 16.262 ( 0.000 -15.751 0.000) 15.751 16.378 ( 0.000 -16.311 0.000) 16.311 28.860 ( 0.000 14.381 0.000) 14.381 29.273 ( 0.000 7.647 0.000) 7.647 29.362 ( 0.000 7.902 0.000) 7.902 29.417 ( 0.000 6.941 0.000) 6.941 31.588 ( 0.000 5.735 0.000) 5.735 31.765 ( 0.000 0.514 0.000) 0.514 32.335 ( 0.000 -7.793 0.000) 7.793 32.371 ( 0.000 -5.532 0.000) 5.532 83.451 ( 0.000 -1.165 0.000) 1.165 83.530 ( 0.000 -1.816 0.000) 1.816 83.750 ( 0.000 -3.235 0.000) 3.235 83.779 ( 0.000 -3.150 0.000) 3.150 ======================= Grid point 21 (14/144) ======================= q-point: ( 0.20 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.014 ( 3.885 19.031 0.000) 19.424 2.138 ( -0.683 21.312 0.000) 21.323 2.395 ( -4.267 12.414 0.000) 13.127 2.502 ( -12.981 10.145 0.000) 16.475 3.247 ( 13.831 -0.374 0.000) 13.836 3.307 ( 3.678 -0.963 0.000) 3.802 3.721 ( -2.399 -6.823 0.000) 7.233 3.941 ( -1.525 10.605 0.000) 10.714 4.549 ( -1.071 19.884 0.000) 19.913 4.974 ( -10.231 28.747 0.000) 30.514 5.061 ( 5.750 22.948 0.000) 23.657 5.236 ( 2.481 23.337 0.000) 23.469 6.973 ( 3.391 -0.638 0.000) 3.451 7.395 ( 5.830 -1.788 0.000) 6.098 7.450 ( -12.470 5.039 0.000) 13.450 7.831 ( 2.034 3.874 0.000) 4.376 8.800 ( -6.017 3.010 0.000) 6.728 9.132 ( -5.789 11.466 0.000) 12.844 9.400 ( 16.463 -2.038 0.000) 16.589 9.693 ( 4.551 10.525 0.000) 11.466 9.984 ( -2.068 5.568 0.000) 5.939 10.009 ( -3.072 -13.950 0.000) 14.284 10.491 ( 3.382 -6.958 0.000) 7.737 10.676 ( -0.646 -5.801 0.000) 5.836 11.316 ( 4.631 6.538 0.000) 8.012 11.985 ( -13.878 0.989 0.000) 13.914 12.612 ( 6.095 -1.758 0.000) 6.344 12.755 ( -0.954 8.152 0.000) 8.208 12.809 ( 3.396 10.726 0.000) 11.250 13.218 ( -5.542 -12.181 0.000) 13.383 14.063 ( 0.563 -8.369 0.000) 8.388 14.146 ( -1.482 -7.662 0.000) 7.804 15.350 ( 6.032 9.321 0.000) 11.102 15.789 ( -4.822 -3.174 0.000) 5.772 16.277 ( 1.518 -15.994 0.000) 16.066 16.371 ( -0.765 -16.594 0.000) 16.611 28.887 ( 2.812 14.143 0.000) 14.420 29.206 ( -5.890 9.210 0.000) 10.932 29.380 ( 1.167 7.549 0.000) 7.638 29.415 ( -0.235 7.003 0.000) 7.007 31.622 ( 3.253 4.414 0.000) 5.483 31.761 ( -0.529 0.529 0.000) 0.748 32.337 ( 0.187 -7.534 0.000) 7.536 32.366 ( -0.545 -5.672 0.000) 5.699 83.472 ( 2.297 -1.144 0.000) 2.566 83.569 ( 3.849 -2.660 0.000) 4.679 83.703 ( -3.926 -2.277 0.000) 4.538 83.781 ( -0.827 -4.147 0.000) 4.229 ======================= Grid point 22 (15/144) ======================= q-point: ( 0.40 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.109 ( 5.427 17.361 0.000) 18.189 2.142 ( 1.212 18.738 0.000) 18.777 2.292 ( -5.613 15.793 0.000) 16.761 2.297 ( -7.479 15.363 0.000) 17.086 3.396 ( 5.110 -2.076 0.000) 5.515 3.440 ( 3.509 -1.319 0.000) 3.748 3.713 ( 4.220 -5.280 0.000) 6.760 3.854 ( -7.646 -0.095 0.000) 7.646 4.598 ( 6.572 30.195 0.000) 30.902 4.770 ( -10.826 31.284 0.000) 33.104 5.170 ( 5.249 21.000 0.000) 21.646 5.241 ( -1.944 21.434 0.000) 21.522 7.070 ( 6.947 0.412 0.000) 6.959 7.233 ( -10.311 2.323 0.000) 10.569 7.549 ( 10.171 -0.117 0.000) 10.171 7.747 ( -9.445 1.859 0.000) 9.626 8.821 ( 6.904 9.349 0.000) 11.622 8.986 ( -9.223 11.356 0.000) 14.629 9.679 ( 12.431 -4.736 0.000) 13.302 9.785 ( 3.377 10.556 0.000) 11.083 9.920 ( -5.380 -12.946 0.000) 14.020 9.927 ( -3.726 4.278 0.000) 5.673 10.571 ( 4.598 -6.056 0.000) 7.603 10.645 ( -2.906 -5.588 0.000) 6.299 11.458 ( 10.509 4.454 0.000) 11.414 11.702 ( -14.947 2.434 0.000) 15.144 12.695 ( 2.712 5.324 0.000) 5.975 12.732 ( -1.521 8.078 0.000) 8.220 12.919 ( 7.998 -1.200 0.000) 8.087 13.081 ( -8.548 -8.719 0.000) 12.210 14.081 ( 1.340 -8.147 0.000) 8.256 14.112 ( -1.916 -7.858 0.000) 8.088 15.497 ( 8.947 6.104 0.000) 10.831 15.663 ( -8.220 1.489 0.000) 8.354 16.313 ( 2.081 -16.523 0.000) 16.653 16.349 ( -1.623 -16.834 0.000) 16.912 28.964 ( 5.354 13.302 0.000) 14.339 29.082 ( -6.865 11.594 0.000) 13.474 29.397 ( 0.706 7.357 0.000) 7.390 29.408 ( -0.449 7.166 0.000) 7.180 31.690 ( 3.441 2.139 0.000) 4.052 31.740 ( -1.824 0.850 0.000) 2.012 32.343 ( 0.448 -6.870 0.000) 6.884 32.354 ( -0.677 -6.137 0.000) 6.175 83.534 ( 4.104 -1.234 0.000) 4.285 83.619 ( -4.742 -1.569 0.000) 4.995 83.657 ( 4.995 -4.099 0.000) 6.462 83.740 ( -3.510 -4.682 0.000) 5.852 ======================= Grid point 25 (16/144) ======================= q-point: ( 0.00 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.325 ( 0.000 14.564 0.000) 14.564 2.577 ( 0.000 19.659 0.000) 19.659 2.648 ( 0.000 9.938 0.000) 9.938 2.860 ( 0.000 9.616 0.000) 9.616 3.034 ( 0.000 -2.552 0.000) 2.552 3.251 ( 0.000 -1.925 0.000) 1.925 3.591 ( 0.000 -8.136 0.000) 8.136 3.938 ( 0.000 -9.889 0.000) 9.889 5.047 ( 0.000 25.879 0.000) 25.879 5.440 ( 0.000 17.081 0.000) 17.081 5.577 ( 0.000 18.678 0.000) 18.678 5.637 ( 0.000 18.742 0.000) 18.742 6.969 ( 0.000 3.342 0.000) 3.342 7.291 ( 0.000 -2.327 0.000) 2.327 7.674 ( 0.000 0.562 0.000) 0.562 7.921 ( 0.000 8.446 0.000) 8.446 8.848 ( 0.000 0.263 0.000) 0.263 9.327 ( 0.000 7.129 0.000) 7.129 9.415 ( 0.000 10.443 0.000) 10.443 9.676 ( 0.000 -5.035 0.000) 5.035 9.967 ( 0.000 4.749 0.000) 4.749 10.059 ( 0.000 0.519 0.000) 0.519 10.287 ( 0.000 -8.842 0.000) 8.842 10.531 ( 0.000 -8.306 0.000) 8.306 11.435 ( 0.000 8.418 0.000) 8.418 12.157 ( 0.000 1.070 0.000) 1.070 12.426 ( 0.000 -5.270 0.000) 5.270 12.658 ( 0.000 -16.048 0.000) 16.048 13.106 ( 0.000 15.592 0.000) 15.592 13.238 ( 0.000 7.687 0.000) 7.687 13.894 ( 0.000 -7.552 0.000) 7.552 14.000 ( 0.000 -8.075 0.000) 8.075 15.452 ( 0.000 5.747 0.000) 5.747 15.735 ( 0.000 -4.112 0.000) 4.112 15.973 ( 0.000 -12.103 0.000) 12.103 16.066 ( 0.000 -13.627 0.000) 13.627 29.139 ( 0.000 12.446 0.000) 12.446 29.422 ( 0.000 6.608 0.000) 6.608 29.502 ( 0.000 5.520 0.000) 5.520 29.529 ( 0.000 3.754 0.000) 3.754 31.714 ( 0.000 6.480 0.000) 6.480 31.793 ( 0.000 2.176 0.000) 2.176 32.182 ( 0.000 -7.016 0.000) 7.016 32.252 ( 0.000 -6.071 0.000) 6.071 83.433 ( 0.000 -0.518 0.000) 0.518 83.494 ( 0.000 -1.655 0.000) 1.655 83.702 ( 0.000 -1.556 0.000) 1.556 83.727 ( 0.000 -1.967 0.000) 1.967 ======================= Grid point 26 (17/144) ======================= q-point: ( 0.20 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.358 ( 3.414 14.737 0.000) 15.127 2.552 ( -1.909 18.461 0.000) 18.559 2.645 ( -1.224 12.261 0.000) 12.322 2.727 ( -8.184 11.178 0.000) 13.854 3.208 ( 12.262 -3.138 0.000) 12.657 3.269 ( 2.161 -2.842 0.000) 3.571 3.566 ( -2.286 -8.117 0.000) 8.433 3.883 ( -5.765 -9.912 0.000) 11.466 5.084 ( 3.956 26.118 0.000) 26.416 5.476 ( 3.618 16.448 0.000) 16.841 5.492 ( -6.983 21.107 0.000) 22.233 5.657 ( 0.244 16.877 0.000) 16.878 7.003 ( 3.673 3.322 0.000) 4.952 7.353 ( 6.491 -2.389 0.000) 6.916 7.524 ( -12.197 3.386 0.000) 12.658 7.917 ( -3.982 2.272 0.000) 4.585 8.877 ( 4.696 6.217 0.000) 7.791 9.368 ( -5.030 11.126 0.000) 12.210 9.429 ( 9.137 3.428 0.000) 9.758 9.716 ( 3.406 -5.433 0.000) 6.412 9.951 ( -1.433 5.281 0.000) 5.472 10.051 ( -1.009 1.186 0.000) 1.557 10.327 ( 4.081 -8.693 0.000) 9.603 10.532 ( -0.169 -8.047 0.000) 8.049 11.461 ( 3.077 7.799 0.000) 8.384 12.017 ( -12.280 2.247 0.000) 12.484 12.480 ( 3.778 -7.774 0.000) 8.643 12.641 ( -1.708 -16.011 0.000) 16.102 13.112 ( 0.681 15.196 0.000) 15.211 13.217 ( -2.077 8.887 0.000) 9.127 13.899 ( 0.650 -7.550 0.000) 7.578 13.985 ( -1.422 -7.957 0.000) 8.083 15.490 ( 3.807 4.844 0.000) 6.161 15.720 ( -1.761 -3.121 0.000) 3.583 15.985 ( 1.123 -12.232 0.000) 12.284 16.059 ( -0.743 -13.423 0.000) 13.443 29.159 ( 2.152 12.115 0.000) 12.304 29.381 ( -3.716 7.638 0.000) 8.494 29.512 ( 0.723 5.121 0.000) 5.172 29.529 ( -0.050 3.870 0.000) 3.870 31.728 ( 1.351 5.755 0.000) 5.911 31.791 ( -0.256 2.349 0.000) 2.363 32.188 ( 0.602 -6.885 0.000) 6.912 32.244 ( -0.761 -6.116 0.000) 6.164 83.455 ( 2.320 -0.488 0.000) 2.371 83.522 ( 2.838 -1.960 0.000) 3.449 83.668 ( -3.139 -1.113 0.000) 3.331 83.715 ( -1.589 -2.405 0.000) 2.883 ======================= Grid point 27 (18/144) ======================= q-point: ( 0.40 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.444 ( 5.228 15.478 0.000) 16.337 2.519 ( -2.021 17.801 0.000) 17.916 2.598 ( -2.569 13.939 0.000) 14.174 2.610 ( -3.858 14.547 0.000) 15.050 3.333 ( 4.216 -4.136 0.000) 5.906 3.381 ( 2.336 -4.153 0.000) 4.765 3.562 ( 5.426 -8.989 0.000) 10.500 3.733 ( -9.705 -9.540 0.000) 13.609 5.191 ( 7.270 25.623 0.000) 26.635 5.343 ( -8.438 23.750 0.000) 25.205 5.558 ( 4.570 15.621 0.000) 16.276 5.631 ( -2.887 15.701 0.000) 15.964 7.110 ( 7.811 3.489 0.000) 8.555 7.294 ( -11.495 3.882 0.000) 12.133 7.525 ( 11.364 -2.394 0.000) 11.614 7.754 ( -11.899 -1.646 0.000) 12.013 9.032 ( 10.605 11.227 0.000) 15.444 9.229 ( -9.497 11.989 0.000) 15.295 9.610 ( 9.082 -0.990 0.000) 9.136 9.736 ( -3.171 -4.823 0.000) 5.772 9.951 ( 2.532 5.267 0.000) 5.844 10.014 ( -3.017 2.795 0.000) 4.113 10.424 ( 5.482 -8.090 0.000) 9.773 10.507 ( -2.909 -7.737 0.000) 8.265 11.564 ( 8.174 6.122 0.000) 10.212 11.767 ( -12.998 4.103 0.000) 13.630 12.543 ( 3.043 -12.141 0.000) 12.517 12.598 ( -2.758 -15.128 0.000) 15.377 13.133 ( 1.567 13.891 0.000) 13.979 13.171 ( -2.431 11.540 0.000) 11.793 13.919 ( 1.455 -7.581 0.000) 7.720 13.952 ( -1.932 -7.727 0.000) 7.965 15.579 ( 5.143 2.475 0.000) 5.708 15.667 ( -3.884 -0.557 0.000) 3.924 16.011 ( 1.565 -12.574 0.000) 12.671 16.039 ( -1.343 -13.006 0.000) 13.075 29.217 ( 3.905 11.106 0.000) 11.773 29.299 ( -4.662 9.478 0.000) 10.563 29.523 ( 0.355 4.623 0.000) 4.637 29.527 ( -0.139 4.186 0.000) 4.188 31.757 ( 1.548 4.243 0.000) 4.517 31.781 ( -0.878 2.988 0.000) 3.115 32.204 ( 1.054 -6.577 0.000) 6.661 32.225 ( -1.155 -6.281 0.000) 6.386 83.516 ( 3.960 -0.499 0.000) 3.991 83.591 ( 4.150 -2.502 0.000) 4.845 83.596 ( -4.306 -0.686 0.000) 4.361 83.666 ( -3.538 -2.711 0.000) 4.458 ======================= Grid point 30 (19/144) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.589 ( 0.000 11.392 0.000) 11.392 2.842 ( 0.000 8.824 0.000) 8.824 2.943 ( 0.000 14.446 0.000) 14.446 2.950 ( 0.000 -5.724 0.000) 5.724 3.060 ( 0.000 9.556 0.000) 9.556 3.203 ( 0.000 -1.261 0.000) 1.261 3.419 ( 0.000 -8.405 0.000) 8.405 3.681 ( 0.000 -14.272 0.000) 14.272 5.492 ( 0.000 16.474 0.000) 16.474 5.686 ( 0.000 6.727 0.000) 6.727 5.875 ( 0.000 10.212 0.000) 10.212 5.920 ( 0.000 8.662 0.000) 8.662 7.062 ( 0.000 5.189 0.000) 5.189 7.238 ( 0.000 -2.980 0.000) 2.980 7.732 ( 0.000 4.755 0.000) 4.755 7.966 ( 0.000 -3.220 0.000) 3.220 8.991 ( 0.000 12.127 0.000) 12.127 9.399 ( 0.000 -1.414 0.000) 1.414 9.594 ( 0.000 6.076 0.000) 6.076 9.613 ( 0.000 -0.370 0.000) 0.370 10.047 ( 0.000 1.894 0.000) 1.894 10.071 ( 0.000 2.078 0.000) 2.078 10.120 ( 0.000 -6.466 0.000) 6.466 10.349 ( 0.000 -9.096 0.000) 9.096 11.638 ( 0.000 11.751 0.000) 11.751 12.190 ( 0.000 2.129 0.000) 2.129 12.285 ( 0.000 -18.586 0.000) 18.586 12.325 ( 0.000 -4.433 0.000) 4.433 13.400 ( 0.000 12.833 0.000) 12.833 13.421 ( 0.000 8.916 0.000) 8.916 13.744 ( 0.000 -7.169 0.000) 7.169 13.828 ( 0.000 -8.723 0.000) 8.723 15.548 ( 0.000 4.056 0.000) 4.056 15.679 ( 0.000 -1.050 0.000) 1.050 15.768 ( 0.000 -7.999 0.000) 7.999 15.832 ( 0.000 -8.939 0.000) 8.939 29.362 ( 0.000 9.152 0.000) 9.152 29.536 ( 0.000 4.329 0.000) 4.329 29.564 ( 0.000 -0.445 0.000) 0.445 29.583 ( 0.000 2.275 0.000) 2.275 31.851 ( 0.000 6.733 0.000) 6.733 31.852 ( 0.000 3.570 0.000) 3.570 32.049 ( 0.000 -5.949 0.000) 5.949 32.123 ( 0.000 -6.415 0.000) 6.415 83.430 ( 0.000 0.196 0.000) 0.196 83.463 ( 0.000 -1.322 0.000) 1.322 83.683 ( 0.000 -0.411 0.000) 0.411 83.696 ( 0.000 -1.047 0.000) 1.047 ======================= Grid point 31 (20/144) ======================= q-point: ( 0.20 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.632 ( 4.535 12.141 0.000) 12.960 2.838 ( -0.077 10.331 0.000) 10.331 2.917 ( -2.342 5.010 0.000) 5.531 2.950 ( -0.485 15.880 0.000) 15.888 3.142 ( 7.179 -1.395 0.000) 7.313 3.191 ( -0.292 -4.145 0.000) 4.155 3.395 ( -2.479 -8.359 0.000) 8.719 3.631 ( -5.171 -13.967 0.000) 14.893 5.526 ( 3.499 16.200 0.000) 16.574 5.716 ( 2.999 6.584 0.000) 7.235 5.829 ( -4.276 11.636 0.000) 12.397 5.912 ( -1.332 7.692 0.000) 7.806 7.096 ( 3.766 5.333 0.000) 6.529 7.293 ( 5.755 -3.586 0.000) 6.780 7.617 ( -10.520 5.794 0.000) 12.010 7.885 ( -8.520 -4.866 0.000) 9.812 9.079 ( 8.677 12.529 0.000) 15.241 9.466 ( 6.407 -1.621 0.000) 6.609 9.568 ( -2.962 7.530 0.000) 8.091 9.659 ( 3.618 0.011 0.000) 3.618 10.027 ( -1.607 1.614 0.000) 2.278 10.073 ( 0.015 2.373 0.000) 2.373 10.154 ( 3.712 -7.342 0.000) 8.227 10.354 ( 0.157 -9.024 0.000) 9.025 11.653 ( 1.856 11.218 0.000) 11.371 12.081 ( -9.756 4.094 0.000) 10.580 12.277 ( -0.714 -18.018 0.000) 18.032 12.323 ( -1.090 -7.302 0.000) 7.382 13.399 ( -0.070 12.525 0.000) 12.525 13.415 ( -0.568 9.397 0.000) 9.415 13.749 ( 0.535 -7.277 0.000) 7.297 13.817 ( -1.089 -8.526 0.000) 8.596 15.571 ( 2.247 3.471 0.000) 4.135 15.677 ( -0.330 -0.650 0.000) 0.729 15.778 ( 1.020 -7.944 0.000) 8.009 15.831 ( -0.217 -8.668 0.000) 8.671 29.376 ( 1.422 8.826 0.000) 8.940 29.514 ( -2.122 5.078 0.000) 5.503 29.567 ( 0.277 -0.254 0.000) 0.375 29.585 ( 0.029 1.808 0.000) 1.809 31.853 ( 0.223 6.311 0.000) 6.315 31.854 ( 0.184 3.766 0.000) 3.771 32.056 ( 0.720 -5.961 0.000) 6.004 32.116 ( -0.740 -6.339 0.000) 6.382 83.453 ( 2.360 0.219 0.000) 2.370 83.487 ( 2.493 -1.415 0.000) 2.866 83.656 ( -2.682 -0.173 0.000) 2.688 83.678 ( -2.031 -1.289 0.000) 2.406 ======================= Grid point 32 (21/144) ======================= q-point: ( 0.40 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.748 ( 7.326 13.991 0.000) 15.793 2.846 ( 0.714 12.370 0.000) 12.391 2.877 ( -1.850 11.001 0.000) 11.155 2.887 ( -5.880 15.624 0.000) 16.694 3.224 ( 3.592 -6.452 0.000) 7.385 3.273 ( 2.606 -6.223 0.000) 6.747 3.358 ( 2.451 -10.392 0.000) 10.677 3.499 ( -8.414 -12.922 0.000) 15.420 5.615 ( 5.760 15.282 0.000) 16.332 5.729 ( -6.031 13.671 0.000) 14.942 5.788 ( 4.339 6.453 0.000) 7.777 5.865 ( -3.537 6.772 0.000) 7.640 7.208 ( 8.198 5.774 0.000) 10.027 7.398 ( -11.643 6.223 0.000) 13.202 7.450 ( 10.687 -4.849 0.000) 11.736 7.675 ( -12.614 -5.660 0.000) 13.825 9.276 ( 11.143 12.019 0.000) 16.390 9.464 ( -8.179 10.374 0.000) 13.210 9.602 ( 7.054 -1.533 0.000) 7.219 9.692 ( -1.525 -0.766 0.000) 1.706 10.018 ( 1.376 2.188 0.000) 2.585 10.058 ( -1.819 2.685 0.000) 3.244 10.249 ( 5.633 -8.508 0.000) 10.204 10.334 ( -2.788 -8.832 0.000) 9.261 11.722 ( 5.952 9.581 0.000) 11.280 11.880 ( -10.445 7.027 0.000) 12.588 12.268 ( 0.148 -15.984 0.000) 15.985 12.289 ( -1.903 -12.114 0.000) 12.263 13.399 ( 0.104 11.686 0.000) 11.687 13.404 ( -0.496 10.516 0.000) 10.528 13.765 ( 1.183 -7.594 0.000) 7.685 13.791 ( -1.524 -8.066 0.000) 8.209 15.620 ( 2.698 2.041 0.000) 3.383 15.661 ( -1.494 0.471 0.000) 1.567 15.801 ( 1.271 -7.916 0.000) 8.017 15.821 ( -0.816 -8.169 0.000) 8.209 29.414 ( 2.497 7.889 0.000) 8.275 29.465 ( -2.836 6.511 0.000) 7.102 29.574 ( 0.433 0.275 0.000) 0.513 29.581 ( -0.336 1.018 0.000) 1.072 31.857 ( 0.144 5.338 0.000) 5.340 31.857 ( 0.107 4.375 0.000) 4.376 32.074 ( 1.178 -6.024 0.000) 6.138 32.097 ( -1.191 -6.168 0.000) 6.282 83.513 ( 3.898 0.224 0.000) 3.904 83.550 ( 3.881 -1.563 0.000) 4.184 83.590 ( -4.039 0.105 0.000) 4.040 83.623 ( -3.654 -1.543 0.000) 3.967 ======================= Grid point 35 (22/144) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.798 ( 0.000 -8.945 0.000) 8.945 2.798 ( 0.000 8.945 0.000) 8.945 3.000 ( 0.000 -5.850 0.000) 5.850 3.000 ( 0.000 5.850 0.000) 5.850 3.246 ( 0.000 -8.584 0.000) 8.584 3.246 ( 0.000 8.584 0.000) 8.584 3.373 ( 0.000 -14.937 0.000) 14.937 3.373 ( 0.000 14.937 0.000) 14.937 5.709 ( 0.000 -4.641 0.000) 4.641 5.709 ( 0.000 4.641 0.000) 4.641 5.994 ( 0.000 -1.276 0.000) 1.276 5.994 ( 0.000 1.276 0.000) 1.276 7.163 ( 0.000 -4.375 0.000) 4.375 7.163 ( 0.000 4.375 0.000) 4.375 7.853 ( 0.000 -6.499 0.000) 6.499 7.853 ( 0.000 6.499 0.000) 6.499 9.255 ( 0.000 -11.549 0.000) 11.549 9.255 ( 0.000 11.549 0.000) 11.549 9.637 ( 0.000 -1.270 0.000) 1.270 9.637 ( 0.000 1.270 0.000) 1.270 10.055 ( 0.000 -0.238 0.000) 0.238 10.055 ( 0.000 0.238 0.000) 0.238 10.173 ( 0.000 -7.460 0.000) 7.460 10.173 ( 0.000 7.460 0.000) 7.460 11.924 ( 0.000 -16.041 0.000) 16.041 11.924 ( 0.000 16.041 0.000) 16.041 12.246 ( 0.000 -3.277 0.000) 3.277 12.246 ( 0.000 3.277 0.000) 3.277 13.592 ( 0.000 -7.737 0.000) 7.737 13.592 ( 0.000 7.737 0.000) 7.737 13.635 ( 0.000 -10.223 0.000) 10.223 13.635 ( 0.000 10.223 0.000) 10.223 15.637 ( 0.000 -5.008 0.000) 5.008 15.637 ( 0.000 5.008 0.000) 5.008 15.703 ( 0.000 -3.601 0.000) 3.601 15.703 ( 0.000 3.601 0.000) 3.601 29.509 ( 0.000 -4.962 0.000) 4.962 29.509 ( 0.000 4.962 0.000) 4.962 29.594 ( 0.000 -1.196 0.000) 1.196 29.594 ( 0.000 1.196 0.000) 1.196 31.938 ( 0.000 -4.789 0.000) 4.789 31.938 ( 0.000 4.789 0.000) 4.789 31.989 ( 0.000 -6.651 0.000) 6.651 31.989 ( 0.000 6.651 0.000) 6.651 83.441 ( 0.000 -0.831 0.000) 0.831 83.441 ( 0.000 0.831 0.000) 0.831 83.682 ( 0.000 -0.346 0.000) 0.346 83.682 ( 0.000 0.346 0.000) 0.346 ======================= Grid point 37 (23/144) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.853 ( 5.509 -8.760 0.000) 10.348 2.853 ( 5.509 8.760 0.000) 10.348 3.021 ( 2.052 -7.181 0.000) 7.469 3.021 ( 2.052 7.181 0.000) 7.469 3.228 ( -1.791 -7.575 0.000) 7.783 3.228 ( -1.791 7.575 0.000) 7.783 3.325 ( -4.887 -15.216 0.000) 15.981 3.325 ( -4.887 15.216 0.000) 15.981 5.739 ( 3.025 -4.524 0.000) 5.443 5.739 ( 3.025 4.524 0.000) 5.443 5.970 ( -2.548 -2.050 0.000) 3.270 5.970 ( -2.548 2.050 0.000) 3.270 7.205 ( 4.492 -4.929 0.000) 6.668 7.205 ( 4.492 4.929 0.000) 6.668 7.754 ( -9.615 -7.083 0.000) 11.943 7.754 ( -9.615 7.083 0.000) 11.943 9.333 ( 7.492 -10.677 0.000) 13.043 9.333 ( 7.492 10.677 0.000) 13.043 9.661 ( 1.394 -1.718 0.000) 2.212 9.661 ( 1.394 1.718 0.000) 2.212 10.053 ( 0.355 -2.443 0.000) 2.469 10.053 ( 0.355 2.443 0.000) 2.469 10.178 ( 0.202 -7.510 0.000) 7.513 10.178 ( 0.202 7.510 0.000) 7.513 11.928 ( 0.619 -15.466 0.000) 15.478 11.928 ( 0.619 15.466 0.000) 15.478 12.185 ( -5.896 -5.966 0.000) 8.388 12.185 ( -5.896 5.966 0.000) 8.388 13.593 ( 0.162 -7.987 0.000) 7.989 13.593 ( 0.162 7.987 0.000) 7.989 13.629 ( -0.642 -9.986 0.000) 10.007 13.629 ( -0.642 9.986 0.000) 10.007 15.651 ( 1.352 -4.711 0.000) 4.902 15.651 ( 1.352 4.711 0.000) 4.902 15.705 ( 0.083 -3.597 0.000) 3.598 15.705 ( 0.083 3.597 0.000) 3.598 29.516 ( 0.773 -4.692 0.000) 4.756 29.516 ( 0.773 4.692 0.000) 4.756 29.585 ( -0.905 -1.775 0.000) 1.992 29.585 ( -0.905 1.775 0.000) 1.992 31.944 ( 0.556 -4.919 0.000) 4.950 31.944 ( 0.556 4.919 0.000) 4.950 31.985 ( -0.433 -6.425 0.000) 6.439 31.985 ( -0.433 6.425 0.000) 6.439 83.464 ( 2.397 -0.859 0.000) 2.546 83.464 ( 2.397 0.859 0.000) 2.546 83.659 ( -2.358 -0.539 0.000) 2.419 83.659 ( -2.358 0.539 0.000) 2.419 ======================= Grid point 39 (24/144) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.984 ( 7.503 -5.601 0.000) 9.363 2.984 ( 7.503 5.601 0.000) 9.363 3.059 ( 0.839 -8.589 0.000) 8.630 3.059 ( 0.839 8.589 0.000) 8.630 3.187 ( -2.046 -3.207 0.000) 3.804 3.187 ( -2.046 3.207 0.000) 3.804 3.212 ( -5.751 -14.524 0.000) 15.621 3.212 ( -5.751 14.524 0.000) 15.621 5.814 ( 4.698 -4.092 0.000) 6.230 5.814 ( 4.698 4.092 0.000) 6.230 5.903 ( -4.411 -3.231 0.000) 5.468 5.903 ( -4.411 3.231 0.000) 5.468 7.334 ( 9.201 -6.148 0.000) 11.066 7.334 ( 9.201 6.148 0.000) 11.066 7.539 ( -12.071 -7.143 0.000) 14.026 7.539 ( -12.071 7.143 0.000) 14.026 9.497 ( 8.989 -8.648 0.000) 12.473 9.497 ( 8.989 8.648 0.000) 12.473 9.635 ( -4.807 -5.745 0.000) 7.491 9.635 ( -4.807 5.745 0.000) 7.491 10.094 ( 3.894 -5.937 0.000) 7.100 10.094 ( 3.894 5.937 0.000) 7.100 10.161 ( -2.378 -7.303 0.000) 7.681 10.161 ( -2.378 7.303 0.000) 7.681 11.961 ( 3.288 -13.544 0.000) 13.937 11.961 ( 3.288 13.544 0.000) 13.937 12.057 ( -6.693 -10.136 0.000) 12.146 12.057 ( -6.693 10.136 0.000) 12.146 13.600 ( 0.558 -8.620 0.000) 8.638 13.600 ( 0.558 8.620 0.000) 8.638 13.614 ( -0.853 -9.377 0.000) 9.415 13.614 ( -0.853 9.377 0.000) 9.415 15.680 ( 1.516 -4.095 0.000) 4.367 15.680 ( 1.516 4.095 0.000) 4.367 15.701 ( -0.643 -3.681 0.000) 3.737 15.701 ( -0.643 3.681 0.000) 3.737 29.536 ( 1.314 -3.939 0.000) 4.153 29.536 ( 1.314 3.939 0.000) 4.153 29.562 ( -1.396 -2.871 0.000) 3.192 29.562 ( -1.396 2.871 0.000) 3.192 31.957 ( 0.840 -5.306 0.000) 5.372 31.957 ( 0.840 5.306 0.000) 5.372 31.973 ( -0.764 -5.881 0.000) 5.930 31.973 ( -0.764 5.881 0.000) 5.930 83.525 ( 3.858 -0.879 0.000) 3.957 83.525 ( 3.858 0.879 0.000) 3.957 83.599 ( -3.835 -0.781 0.000) 3.913 83.599 ( -3.835 0.781 0.000) 3.913 ======================= Grid point 75 (25/144) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.489 ( 0.000 0.000 23.804) 23.804 0.491 ( 0.000 0.000 23.345) 23.345 0.946 ( 0.000 0.000 44.998) 44.998 1.831 ( 0.000 0.000 5.505) 5.505 2.060 ( 0.000 0.000 3.508) 3.508 2.419 ( 0.000 0.000 -1.391) 1.391 2.901 ( 0.000 0.000 -1.312) 1.312 3.181 ( 0.000 0.000 -10.026) 10.026 3.693 ( 0.000 0.000 0.866) 0.866 3.955 ( 0.000 0.000 15.645) 15.645 4.085 ( 0.000 0.000 -0.921) 0.921 4.834 ( 0.000 0.000 3.817) 3.817 7.022 ( 0.000 0.000 8.703) 8.703 7.209 ( 0.000 0.000 1.168) 1.168 7.576 ( 0.000 0.000 -0.554) 0.554 7.982 ( 0.000 0.000 -1.842) 1.842 8.282 ( 0.000 0.000 0.512) 0.512 8.514 ( 0.000 0.000 -2.885) 2.885 8.520 ( 0.000 0.000 -0.851) 0.851 8.994 ( 0.000 0.000 -4.429) 4.429 9.665 ( 0.000 0.000 10.359) 10.359 10.613 ( 0.000 0.000 -5.340) 5.340 10.642 ( 0.000 0.000 -6.245) 6.245 11.817 ( 0.000 0.000 0.808) 0.808 11.818 ( 0.000 0.000 7.115) 7.115 11.898 ( 0.000 0.000 0.857) 0.857 11.991 ( 0.000 0.000 -0.005) 0.005 12.128 ( 0.000 0.000 -0.321) 0.321 12.159 ( 0.000 0.000 -2.413) 2.413 12.897 ( 0.000 0.000 0.882) 0.882 13.375 ( 0.000 0.000 -32.182) 32.182 14.227 ( 0.000 0.000 -3.875) 3.875 15.108 ( 0.000 0.000 36.272) 36.272 17.161 ( 0.000 0.000 -7.503) 7.503 17.370 ( 0.000 0.000 2.248) 2.248 17.609 ( 0.000 0.000 -0.961) 0.961 28.020 ( 0.000 0.000 2.532) 2.532 28.131 ( 0.000 0.000 2.189) 2.189 28.828 ( 0.000 0.000 -1.643) 1.643 28.894 ( 0.000 0.000 -1.635) 1.635 31.359 ( 0.000 0.000 1.910) 1.910 31.866 ( 0.000 0.000 -0.656) 0.656 32.640 ( 0.000 0.000 0.507) 0.507 32.795 ( 0.000 0.000 -1.547) 1.547 83.534 ( 0.000 0.000 -3.955) 3.955 83.626 ( 0.000 0.000 7.669) 7.669 84.391 ( 0.000 0.000 25.894) 25.894 88.223 ( 0.000 0.000 -5.376) 5.376 ======================= Grid point 76 (26/144) ======================= q-point: ( 0.20 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.690 ( 16.405 0.000 15.166) 22.341 0.715 ( 19.890 0.000 15.559) 25.253 1.197 ( 22.499 0.000 32.655) 39.655 1.732 ( -7.788 0.000 6.673) 10.256 1.879 ( -15.695 0.000 3.571) 16.096 2.535 ( 8.879 0.000 -0.976) 8.932 2.878 ( -2.451 0.000 -1.278) 2.764 3.078 ( -18.997 0.000 -4.143) 19.443 3.496 ( -1.367 0.000 3.410) 3.674 3.977 ( -5.070 0.000 0.491) 5.093 4.306 ( 17.197 0.000 5.684) 18.112 4.809 ( -2.394 0.000 3.802) 4.493 7.074 ( 5.411 0.000 8.285) 9.896 7.237 ( 2.924 0.000 1.067) 3.112 7.530 ( -4.577 0.000 -0.261) 4.584 7.668 ( -16.573 0.000 9.148) 18.930 8.316 ( 3.279 0.000 0.256) 3.289 8.504 ( -1.680 0.000 -0.782) 1.853 8.542 ( 5.428 0.000 -3.837) 6.648 8.963 ( -4.315 0.000 4.437) 6.189 10.331 ( 20.240 0.000 -24.812) 32.020 10.596 ( -1.254 0.000 -7.351) 7.457 10.898 ( 26.491 0.000 -10.454) 28.480 11.822 ( 0.534 0.000 0.810) 0.970 11.884 ( -1.253 0.000 0.825) 1.500 11.975 ( -12.915 0.000 1.287) 12.979 12.011 ( 1.812 0.000 -0.007) 1.812 12.118 ( -1.078 0.000 -0.288) 1.116 12.136 ( 26.044 0.000 -25.042) 36.130 13.019 ( 5.624 0.000 -13.180) 14.330 13.388 ( 5.547 0.000 -23.080) 23.738 14.154 ( -7.516 0.000 -4.776) 8.905 15.177 ( 7.275 0.000 38.639) 39.318 16.515 ( -51.002 0.000 50.973) 72.107 17.283 ( 3.043 0.000 -3.463) 4.610 17.577 ( -3.379 0.000 -5.256) 6.248 28.030 ( 1.016 0.000 2.498) 2.697 28.119 ( -1.170 0.000 2.220) 2.509 28.836 ( 0.722 0.000 -1.641) 1.793 28.888 ( -0.568 0.000 -1.635) 1.731 31.740 ( 20.487 0.000 -19.708) 28.428 31.885 ( 1.903 0.000 -1.706) 2.556 32.647 ( 1.227 0.000 -0.001) 1.227 32.784 ( -1.271 0.000 -1.680) 2.106 83.496 ( -1.023 0.000 -0.547) 1.160 83.642 ( -0.827 0.000 -1.758) 1.942 84.550 ( 15.353 0.000 28.520) 32.390 86.692 ( -91.818 0.000 77.715) 120.292 ======================= Grid point 77 (27/144) ======================= q-point: ( 0.40 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( 18.113 0.000 9.365) 20.391 1.127 ( 22.552 0.000 8.652) 24.155 1.333 ( -12.682 0.000 7.962) 14.974 1.534 ( -20.432 0.000 5.202) 21.084 1.915 ( 30.463 0.000 17.883) 35.325 2.542 ( -33.358 0.000 9.572) 34.704 2.692 ( 7.413 0.000 -1.027) 7.484 2.809 ( -4.948 0.000 -1.176) 5.086 3.629 ( 10.797 0.000 -2.406) 11.062 3.831 ( -9.904 0.000 -1.899) 10.084 4.577 ( 11.346 0.000 4.794) 12.318 4.736 ( -5.845 0.000 4.038) 7.104 7.216 ( 9.337 0.000 7.285) 11.843 7.315 ( 5.222 0.000 0.767) 5.278 7.414 ( -11.668 0.000 6.908) 13.560 7.424 ( -6.129 0.000 0.291) 6.136 8.388 ( 4.057 0.000 -0.204) 4.062 8.458 ( -3.183 0.000 -0.569) 3.234 8.683 ( 8.736 0.000 -1.466) 8.858 8.844 ( -7.940 0.000 2.454) 8.310 10.495 ( 4.362 0.000 -13.890) 14.559 10.559 ( -2.698 0.000 -10.032) 10.388 11.323 ( 18.922 0.000 1.165) 18.958 11.663 ( -17.747 0.000 4.297) 18.260 11.837 ( 0.997 0.000 0.814) 1.287 11.859 ( -1.313 0.000 0.814) 1.545 12.050 ( 2.211 0.000 -0.088) 2.213 12.089 ( -1.885 0.000 -0.201) 1.896 12.623 ( 21.325 0.000 -42.017) 47.119 12.934 ( -12.045 0.000 -35.291) 37.290 13.651 ( 17.911 0.000 -9.768) 20.402 13.954 ( -13.593 0.000 -7.126) 15.347 15.384 ( 15.124 0.000 45.849) 48.280 15.777 ( -28.207 0.000 55.971) 62.677 17.375 ( 5.991 0.000 -5.093) 7.863 17.489 ( -5.732 0.000 -5.549) 7.978 28.056 ( 1.708 0.000 2.411) 2.954 28.090 ( -1.801 0.000 2.304) 2.924 28.853 ( 1.076 0.000 -1.637) 1.959 28.873 ( -0.983 0.000 -1.635) 1.908 31.924 ( 2.480 0.000 -5.518) 6.050 31.935 ( 2.292 0.000 -11.031) 11.267 32.691 ( 3.088 0.000 -1.673) 3.512 32.747 ( -2.612 0.000 -1.950) 3.260 83.519 ( 3.068 0.000 -3.214) 4.443 83.590 ( -3.936 0.000 -4.410) 5.911 84.921 ( 24.076 0.000 38.874) 45.726 85.506 ( -41.409 0.000 60.522) 73.333 ======================= Grid point 80 (28/144) ======================= q-point: ( 0.00 0.07 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.750 ( 0.000 20.647 14.074) 24.988 0.804 ( 0.000 16.738 21.826) 27.505 1.411 ( 0.000 41.676 24.914) 48.555 1.885 ( 0.000 5.279 4.382) 6.861 2.202 ( 0.000 11.442 4.885) 12.441 2.570 ( 0.000 12.493 -1.750) 12.615 3.068 ( 0.000 12.447 -2.345) 12.666 3.267 ( 0.000 11.393 -7.475) 13.626 3.773 ( 0.000 8.237 0.073) 8.237 3.996 ( 0.000 4.539 14.043) 14.758 4.054 ( 0.000 -2.887 -0.727) 2.977 4.810 ( 0.000 -2.167 4.029) 4.575 7.049 ( 0.000 3.129 6.852) 7.533 7.429 ( 0.000 -0.746 1.539) 1.710 7.537 ( 0.000 -3.357 -0.600) 3.410 7.978 ( 0.000 -0.666 -0.607) 0.901 8.397 ( 0.000 17.978 -7.989) 19.673 8.564 ( 0.000 5.385 -2.634) 5.995 8.624 ( 0.000 8.458 -0.443) 8.470 9.355 ( 0.000 15.309 -19.396) 24.709 9.664 ( 0.000 0.436 9.206) 9.216 10.516 ( 0.000 -6.478 -7.928) 10.238 10.607 ( 0.000 -0.534 -5.818) 5.843 11.418 ( 0.000 -10.017 20.114) 22.470 11.607 ( 0.000 -28.133 0.719) 28.142 11.891 ( 0.000 6.968 0.593) 6.993 11.975 ( 0.000 7.318 0.390) 7.329 12.166 ( 0.000 -0.020 -0.341) 0.341 12.878 ( 0.000 -1.798 1.412) 2.287 12.992 ( 0.000 39.494 -41.807) 57.512 13.746 ( 0.000 22.349 -36.412) 42.724 14.143 ( 0.000 -7.943 -3.656) 8.744 15.131 ( 0.000 2.267 35.658) 35.730 17.005 ( 0.000 -35.448 32.205) 47.893 17.081 ( 0.000 -7.571 -7.046) 10.342 17.286 ( 0.000 -7.988 2.225) 8.292 28.096 ( 0.000 7.159 2.371) 7.542 28.533 ( 0.000 21.000 -16.475) 26.692 28.876 ( 0.000 4.515 -1.507) 4.760 28.946 ( 0.000 4.932 -1.559) 5.172 31.374 ( 0.000 1.453 1.824) 2.332 31.847 ( 0.000 -1.714 -0.490) 1.782 32.620 ( 0.000 -1.933 0.402) 1.974 32.754 ( 0.000 -3.925 -1.350) 4.151 83.530 ( 0.000 -0.358 -3.765) 3.782 83.569 ( 0.000 -4.625 7.044) 8.426 84.341 ( 0.000 -4.611 24.619) 25.047 86.082 ( 0.000 -102.381 98.217) 141.874 ======================= Grid point 81 (29/144) ======================= q-point: ( 0.20 0.07 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( 9.630 15.566 11.501) 21.617 0.940 ( 13.508 14.228 18.696) 27.100 1.587 ( 10.438 30.705 16.233) 36.266 1.802 ( -1.542 10.912 8.351) 13.827 2.013 ( -15.871 10.710 5.659) 19.965 2.693 ( 9.158 13.232 -1.346) 16.148 3.056 ( -1.869 14.356 -2.180) 14.641 3.197 ( -14.075 13.235 -4.521) 19.842 3.544 ( -5.012 5.834 5.499) 9.455 3.977 ( -5.583 0.009 0.307) 5.591 4.301 ( 16.908 0.553 5.406) 17.760 4.789 ( -2.278 -1.937 3.993) 4.989 7.082 ( 3.605 2.001 6.625) 7.804 7.406 ( -2.217 -0.812 2.930) 3.763 7.516 ( -2.106 -1.485 -0.187) 2.584 7.674 ( -19.132 8.194 4.654) 21.327 8.398 ( 1.613 5.965 -4.642) 7.729 8.565 ( -2.771 8.323 1.186) 8.852 8.669 ( 6.563 10.428 -2.244) 12.524 9.127 ( -8.751 12.598 1.918) 15.458 10.330 ( 27.789 -3.239 -24.335) 37.080 10.561 ( 3.335 -7.706 -7.297) 11.125 10.657 ( 13.687 -11.231 -5.260) 18.470 11.472 ( 5.207 -13.081 16.443) 21.647 11.581 ( -3.006 -28.964 -0.221) 29.121 11.898 ( 0.774 7.035 0.650) 7.107 11.948 ( -5.102 3.442 -0.012) 6.155 12.020 ( -9.868 3.435 3.379) 10.982 13.002 ( 8.901 14.972 -17.628) 24.782 13.108 ( 11.834 20.348 -26.771) 35.648 13.708 ( -3.039 21.013 -34.224) 40.275 14.079 ( -6.580 -6.983 -5.224) 10.925 15.201 ( 7.415 2.368 37.557) 38.355 16.412 ( -38.447 -8.577 44.843) 59.687 17.176 ( 4.115 -9.917 -4.335) 11.579 17.391 ( 2.226 -13.951 -1.938) 14.259 28.111 ( 1.581 7.580 2.278) 8.071 28.388 ( -10.128 18.516 -5.366) 21.776 28.887 ( 0.866 4.840 -1.679) 5.196 28.939 ( -0.618 4.811 -1.496) 5.076 31.636 ( 17.842 -6.651 -8.929) 21.030 31.860 ( 1.279 -2.164 -1.256) 2.810 32.625 ( 0.839 -2.079 0.139) 2.246 32.742 ( -1.248 -3.899 -1.404) 4.328 83.488 ( -0.833 -0.784 -0.173) 1.157 83.609 ( 0.359 -2.779 -2.363) 3.666 84.466 ( 12.312 -7.507 27.458) 31.014 85.694 ( -31.202 -62.495 83.326) 108.730 ======================= Grid point 82 (30/144) ======================= q-point: ( 0.40 0.07 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( 15.516 8.298 6.242) 18.670 1.240 ( 13.401 8.907 10.955) 19.467 1.455 ( -9.893 9.778 6.444) 15.330 1.671 ( -19.166 10.738 8.975) 23.732 2.166 ( 28.326 24.558 13.602) 39.880 2.705 ( -24.951 15.703 6.221) 30.130 2.890 ( 3.770 17.639 -0.731) 18.052 2.997 ( -5.031 16.570 -1.614) 17.392 3.639 ( 9.822 1.855 -0.661) 10.018 3.830 ( -9.628 0.346 -1.006) 9.686 4.564 ( 10.966 -0.751 4.286) 11.798 4.718 ( -5.642 -1.543 3.993) 7.082 7.183 ( 6.935 -1.166 6.246) 9.406 7.328 ( -7.350 -4.893 6.536) 10.986 7.459 ( -2.710 9.185 1.617) 9.712 7.472 ( -2.559 2.588 1.186) 3.828 8.447 ( 3.171 3.799 -1.110) 5.071 8.508 ( -3.199 5.109 1.052) 6.119 8.814 ( 8.491 12.152 -1.346) 14.885 8.975 ( -8.310 11.909 1.098) 14.563 10.510 ( 3.415 1.230 -13.605) 14.081 10.558 ( -1.783 -0.543 -10.094) 10.265 11.122 ( 23.281 -24.093 -9.454) 34.811 11.456 ( -11.723 -28.353 -6.029) 31.268 11.588 ( 6.469 -14.565 11.779) 19.817 11.737 ( -10.703 -6.221 7.342) 14.393 11.920 ( 1.453 7.164 0.979) 7.375 11.951 ( -1.822 7.538 1.400) 7.880 13.169 ( 8.453 23.342 -29.512) 38.565 13.267 ( 0.758 16.669 -25.330) 30.332 13.721 ( 6.880 8.344 -21.765) 24.304 13.911 ( -10.749 -3.369 -10.185) 15.187 15.411 ( 15.298 2.668 42.885) 45.610 15.795 ( -26.232 1.473 48.856) 55.472 17.268 ( 5.434 -9.970 -4.703) 12.290 17.363 ( -4.046 -11.380 -4.289) 12.817 28.156 ( 3.284 9.100 1.893) 9.858 28.239 ( -5.827 12.592 0.535) 13.885 28.905 ( 1.035 4.890 -1.588) 5.244 28.924 ( -0.937 4.808 -1.536) 5.134 31.852 ( 5.273 -6.539 -8.151) 11.705 31.883 ( 0.645 -3.710 -3.762) 5.323 32.658 ( 2.521 -2.961 -0.922) 3.997 32.707 ( -2.422 -3.664 -1.449) 4.625 83.511 ( 2.850 -0.731 -3.093) 4.269 83.574 ( -3.288 -1.420 -4.441) 5.706 84.760 ( 18.334 -13.983 36.647) 43.298 85.157 ( -24.557 -27.591 55.544) 66.704 ======================= Grid point 85 (31/144) ======================= q-point: ( 0.00 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( 0.000 19.487 14.611) 24.356 1.221 ( 0.000 23.902 6.858) 24.866 2.013 ( 0.000 9.021 2.048) 9.251 2.380 ( 0.000 44.103 11.140) 45.488 2.450 ( 0.000 14.032 8.380) 16.344 2.801 ( 0.000 7.830 -5.198) 9.399 3.282 ( 0.000 9.279 2.707) 9.666 3.717 ( 0.000 28.136 -4.732) 28.531 3.978 ( 0.000 -3.735 -0.598) 3.783 4.049 ( 0.000 18.495 -2.213) 18.627 4.185 ( 0.000 15.119 8.685) 17.436 4.748 ( 0.000 -3.660 5.048) 6.235 7.134 ( 0.000 3.351 2.892) 4.426 7.300 ( 0.000 -5.399 9.879) 11.258 7.460 ( 0.000 -3.765 -0.515) 3.800 7.941 ( 0.000 -3.082 1.591) 3.468 8.715 ( 0.000 8.839 -2.708) 9.244 8.823 ( 0.000 9.808 1.527) 9.926 8.828 ( 0.000 20.025 -10.736) 22.722 9.428 ( 0.000 -4.382 -4.822) 6.515 9.714 ( 0.000 4.961 5.476) 7.389 10.486 ( 0.000 2.297 -15.861) 16.026 10.587 ( 0.000 -1.592 -5.855) 6.067 10.977 ( 0.000 -28.105 -1.465) 28.143 11.364 ( 0.000 -0.807 20.528) 20.543 12.091 ( 0.000 12.223 0.084) 12.223 12.163 ( 0.000 -0.198 0.434) 0.477 12.185 ( 0.000 12.608 -1.000) 12.648 12.826 ( 0.000 -3.219 2.811) 4.274 13.592 ( 0.000 20.268 -39.933) 44.782 13.914 ( 0.000 -13.906 -3.069) 14.241 14.027 ( 0.000 5.470 -28.777) 29.292 15.205 ( 0.000 4.985 31.461) 31.854 16.458 ( 0.000 -19.167 27.333) 33.383 16.861 ( 0.000 -13.391 -5.753) 14.575 17.058 ( 0.000 -13.762 1.978) 13.903 28.299 ( 0.000 12.125 1.989) 12.287 28.842 ( 0.000 11.254 -10.139) 15.148 29.006 ( 0.000 7.794 -1.115) 7.874 29.084 ( 0.000 8.082 -1.018) 8.146 31.419 ( 0.000 2.909 1.567) 3.304 31.805 ( 0.000 -2.108 -0.294) 2.128 32.562 ( 0.000 -3.587 0.132) 3.589 32.643 ( 0.000 -6.615 -0.921) 6.679 83.478 ( 0.000 -3.613 3.565) 5.076 83.520 ( 0.000 -0.627 -3.265) 3.325 84.216 ( 0.000 -7.133 21.215) 22.382 84.791 ( 0.000 -36.316 60.918) 70.921 ======================= Grid point 86 (32/144) ======================= q-point: ( 0.20 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( 4.384 19.850 8.805) 22.153 1.291 ( 8.440 19.894 10.772) 24.146 1.897 ( -11.177 9.933 1.666) 15.046 2.235 ( -16.847 9.781 8.072) 21.087 2.517 ( 13.120 44.342 11.175) 47.573 2.952 ( 10.755 9.436 -4.732) 15.069 3.323 ( 3.112 10.827 1.362) 11.348 3.654 ( -11.277 28.284 -2.854) 30.582 3.775 ( -7.753 14.028 1.823) 16.131 3.997 ( -4.581 4.870 2.907) 7.290 4.387 ( 12.404 9.462 2.150) 15.748 4.737 ( -1.275 -2.644 4.518) 5.388 7.141 ( 0.900 2.287 3.099) 3.955 7.282 ( -1.880 -5.298 8.976) 10.591 7.475 ( 1.562 -1.922 0.345) 2.500 7.826 ( -10.952 3.400 1.944) 11.631 8.538 ( -6.210 7.439 -4.019) 10.491 8.750 ( -5.690 8.576 2.543) 10.601 8.981 ( 8.367 18.122 -4.028) 20.363 9.382 ( -4.129 11.034 -0.466) 11.791 10.043 ( 25.376 -16.278 -3.237) 30.322 10.502 ( 1.380 1.921 -14.966) 15.152 10.599 ( 1.482 -1.206 -7.420) 7.662 10.950 ( -3.185 -28.159 -1.986) 28.408 11.388 ( 2.839 -0.814 18.349) 18.585 11.983 ( -14.098 0.756 1.300) 14.178 12.101 ( 0.989 12.348 0.267) 12.390 12.195 ( -1.038 12.170 1.191) 12.272 12.981 ( 13.739 -4.417 0.388) 14.436 13.603 ( -0.170 15.115 -32.944) 36.247 13.866 ( -3.536 -8.670 -9.921) 13.641 14.007 ( -2.345 4.795 -28.014) 28.518 15.277 ( 7.626 5.003 31.986) 33.261 16.223 ( -20.333 -9.086 29.896) 37.280 16.912 ( 4.033 -14.977 -4.680) 16.202 17.082 ( 1.048 -16.007 0.078) 16.041 28.322 ( 2.520 12.463 1.810) 12.844 28.719 ( -10.425 13.553 -5.580) 17.986 29.023 ( 1.139 7.989 -1.540) 8.216 29.075 ( -0.730 8.066 -1.020) 8.163 31.548 ( 10.884 -1.661 -1.460) 11.106 31.808 ( 0.179 -2.573 -0.753) 2.687 32.564 ( 0.303 -3.769 0.050) 3.781 32.633 ( -0.973 -6.417 -0.892) 6.551 83.464 ( 0.172 -1.393 0.108) 1.408 83.552 ( 1.191 -2.287 -3.557) 4.393 84.278 ( 6.347 -9.986 24.059) 26.811 84.738 ( -5.347 -31.978 54.259) 63.208 ======================= Grid point 87 (33/144) ======================= q-point: ( 0.40 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( 9.898 16.360 3.181) 19.385 1.484 ( 5.887 14.434 6.563) 16.914 1.684 ( -4.701 12.586 7.133) 15.211 1.899 ( -17.787 11.069 11.560) 23.928 2.832 ( 18.854 36.642 7.447) 41.875 3.091 ( -0.953 16.596 -1.881) 16.729 3.333 ( -3.513 19.148 -1.847) 19.555 3.370 ( -9.555 21.330 1.381) 23.413 3.773 ( 4.251 12.341 1.991) 13.203 3.886 ( -6.761 7.108 2.915) 10.234 4.581 ( 8.057 3.786 1.969) 9.117 4.691 ( -3.874 -0.076 3.228) 5.043 7.173 ( 2.534 -0.351 4.314) 5.016 7.231 ( -3.292 -3.569 6.754) 8.318 7.521 ( 3.630 2.183 1.575) 4.519 7.629 ( -8.325 6.285 2.080) 10.637 8.531 ( 3.825 4.810 -0.213) 6.149 8.634 ( -6.313 6.661 2.038) 9.401 9.135 ( 8.060 17.519 -2.049) 19.393 9.278 ( -6.827 16.062 -0.652) 17.465 10.427 ( 12.090 -18.031 -5.655) 22.434 10.518 ( -0.472 -2.306 -11.229) 11.473 10.671 ( 7.685 -8.258 -9.462) 14.723 10.845 ( -8.137 -25.299 -4.192) 26.904 11.489 ( 8.375 -0.446 12.593) 15.130 11.705 ( -14.146 0.309 6.094) 15.406 12.127 ( 1.755 12.571 0.873) 12.722 12.164 ( -2.003 12.704 1.316) 12.928 13.262 ( 14.965 -5.010 -3.518) 16.168 13.508 ( -10.262 -0.538 -11.695) 15.568 13.861 ( 3.206 4.372 -27.131) 27.667 13.941 ( -4.388 5.684 -29.081) 29.955 15.488 ( 14.718 4.447 33.022) 36.426 15.822 ( -20.477 0.840 32.982) 38.831 16.995 ( 4.485 -15.858 -3.751) 16.902 17.066 ( -2.697 -16.614 -2.363) 16.997 28.396 ( 5.394 13.432 1.092) 14.516 28.529 ( -8.863 14.486 -0.913) 17.007 29.042 ( 0.985 8.083 -1.358) 8.255 29.060 ( -0.882 8.046 -1.190) 8.181 31.726 ( 6.775 -4.756 -3.153) 8.858 31.800 ( -1.597 -3.849 -2.013) 4.628 32.579 ( 1.285 -4.605 -0.319) 4.792 32.608 ( -1.631 -5.731 -0.732) 6.003 83.492 ( 2.489 -0.976 -2.845) 3.904 83.541 ( -2.113 -1.639 -4.329) 5.088 84.432 ( 9.341 -16.168 30.585) 35.835 84.604 ( -8.516 -23.671 41.243) 48.309 ======================= Grid point 90 (34/144) ======================= q-point: ( 0.00 0.21 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( 0.000 20.314 6.227) 21.247 1.708 ( 0.000 23.198 3.494) 23.460 2.209 ( 0.000 10.231 0.026) 10.231 2.617 ( 0.000 6.623 7.191) 9.776 2.897 ( 0.000 2.467 -8.100) 8.467 3.325 ( 0.000 41.939 7.515) 42.607 3.418 ( 0.000 3.437 10.450) 11.001 3.856 ( 0.000 -5.696 -1.778) 5.967 4.363 ( 0.000 30.844 -3.844) 31.083 4.454 ( 0.000 14.500 -5.047) 15.353 4.621 ( 0.000 25.649 2.356) 25.756 4.719 ( 0.000 6.774 7.136) 9.840 7.069 ( 0.000 -5.794 5.199) 7.785 7.390 ( 0.000 -2.973 -0.343) 2.992 7.391 ( 0.000 10.719 3.411) 11.249 7.854 ( 0.000 -5.108 3.388) 6.129 8.912 ( 0.000 10.083 -2.789) 10.461 9.008 ( 0.000 8.467 1.933) 8.685 9.064 ( 0.000 -1.613 -9.991) 10.120 9.407 ( 0.000 8.201 2.159) 8.481 9.858 ( 0.000 8.053 1.421) 8.178 10.421 ( 0.000 -19.920 -3.391) 20.206 10.533 ( 0.000 -3.788 -4.533) 5.907 10.569 ( 0.000 -1.051 -10.951) 11.001 11.379 ( 0.000 1.931 17.350) 17.457 12.162 ( 0.000 0.233 1.463) 1.481 12.380 ( 0.000 15.357 0.006) 15.357 12.460 ( 0.000 12.903 -2.931) 13.232 12.759 ( 0.000 -2.437 4.660) 5.259 13.591 ( 0.000 -16.971 -2.278) 17.123 13.860 ( 0.000 6.588 -28.465) 29.217 14.039 ( 0.000 -2.640 -19.762) 19.937 15.325 ( 0.000 6.158 21.842) 22.693 16.149 ( 0.000 -11.979 16.119) 20.082 16.553 ( 0.000 -15.980 -4.125) 16.504 16.740 ( 0.000 -16.598 1.565) 16.672 28.575 ( 0.000 14.314 1.551) 14.398 29.050 ( 0.000 9.492 -5.340) 10.891 29.182 ( 0.000 9.051 -0.540) 9.067 29.260 ( 0.000 8.648 -0.163) 8.650 31.493 ( 0.000 4.303 1.154) 4.455 31.770 ( 0.000 -1.173 -0.205) 1.190 32.475 ( 0.000 -4.836 -0.190) 4.839 32.492 ( 0.000 -7.760 -0.538) 7.778 83.428 ( 0.000 -1.344 0.369) 1.393 83.505 ( 0.000 -0.768 -2.599) 2.710 84.064 ( 0.000 -7.317 16.654) 18.190 84.266 ( 0.000 -18.204 33.355) 37.999 ======================= Grid point 91 (35/144) ======================= q-point: ( 0.20 0.21 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( 4.064 19.787 4.742) 20.749 1.725 ( 2.667 21.574 4.434) 22.186 2.121 ( -8.499 11.840 -0.304) 14.578 2.411 ( -15.252 7.726 7.998) 18.876 3.064 ( 11.744 2.674 -7.380) 14.126 3.387 ( 5.214 33.286 5.769) 34.183 3.486 ( 6.457 9.296 8.499) 14.154 3.834 ( -1.582 -3.377 0.510) 3.764 4.276 ( -8.042 27.284 -1.292) 28.474 4.334 ( -9.545 21.058 0.047) 23.121 4.690 ( 5.161 15.549 0.429) 16.389 4.769 ( 3.405 13.394 2.644) 14.071 7.084 ( 1.673 -4.943 4.896) 7.156 7.318 ( -5.043 5.405 2.151) 7.699 7.447 ( 4.111 -0.338 1.628) 4.434 7.838 ( -3.046 -0.936 2.798) 4.240 8.683 ( -9.570 6.179 -2.454) 11.653 8.926 ( -6.126 8.963 1.658) 10.982 9.315 ( 10.956 10.993 -6.852) 16.966 9.518 ( 9.259 3.053 0.213) 9.752 9.877 ( 3.577 1.638 1.281) 4.138 10.382 ( -4.263 -19.363 -2.828) 20.028 10.553 ( 1.960 -4.326 -5.128) 6.989 10.589 ( 1.799 -0.819 -11.080) 11.255 11.403 ( 2.890 1.966 15.518) 15.906 11.999 ( -13.828 0.958 2.616) 14.106 12.392 ( 1.163 15.589 -0.145) 15.633 12.476 ( -0.009 14.167 -0.745) 14.187 12.872 ( 10.626 -5.708 2.485) 12.315 13.517 ( -7.377 -15.118 -2.382) 16.990 13.888 ( 2.440 4.371 -26.964) 27.424 14.024 ( -1.521 -2.227 -20.319) 20.497 15.392 ( 6.992 5.643 21.375) 23.187 16.048 ( -9.872 -7.936 16.983) 21.186 16.582 ( 2.800 -16.618 -3.603) 17.233 16.736 ( -0.730 -17.399 0.631) 17.426 28.602 ( 2.899 14.339 1.361) 14.692 28.969 ( -7.369 11.175 -3.368) 13.803 29.200 ( 1.246 8.933 -0.974) 9.072 29.252 ( -0.677 8.757 -0.326) 8.789 31.557 ( 5.836 2.117 0.226) 6.212 31.766 ( -0.524 -1.363 -0.407) 1.516 32.473 ( -0.163 -5.026 -0.207) 5.033 32.488 ( -0.400 -7.457 -0.496) 7.484 83.440 ( 1.311 -0.818 -0.749) 1.717 83.518 ( 0.740 -1.194 -3.351) 3.633 84.080 ( 1.845 -8.931 18.885) 20.972 84.251 ( -1.633 -17.553 31.203) 35.839 ======================= Grid point 92 (36/144) ======================= q-point: ( 0.40 0.21 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.719 ( 5.807 18.603 0.630) 19.499 1.808 ( 1.774 16.661 2.451) 16.934 1.971 ( -1.953 15.112 5.233) 16.111 2.133 ( -13.610 11.792 9.969) 20.583 3.272 ( 9.965 2.852 -6.582) 12.278 3.414 ( -3.944 8.542 -2.300) 9.686 3.654 ( 10.928 24.409 6.340) 27.485 3.810 ( -3.114 9.130 6.309) 11.526 4.122 ( -4.723 26.389 1.365) 26.843 4.169 ( -7.292 16.972 4.537) 19.021 4.774 ( 3.382 14.279 -0.827) 14.697 4.806 ( 0.171 14.947 -0.308) 14.951 7.133 ( 3.584 -2.538 4.176) 6.060 7.217 ( -5.225 1.198 3.245) 6.266 7.556 ( 7.466 1.087 1.725) 7.739 7.716 ( -8.856 2.669 1.964) 9.456 8.650 ( 4.645 6.738 0.027) 8.184 8.785 ( -8.291 8.263 1.159) 11.763 9.477 ( 7.268 14.517 -3.345) 16.575 9.581 ( -2.801 12.202 -1.914) 12.665 10.044 ( 12.318 -14.618 -0.668) 19.128 10.255 ( -9.249 -18.571 -1.964) 20.839 10.596 ( 2.120 -3.420 -6.925) 8.010 10.615 ( 0.359 -1.727 -9.568) 9.729 11.507 ( 8.642 1.929 10.793) 13.961 11.726 ( -14.026 1.565 5.867) 15.284 12.421 ( 1.797 15.516 0.269) 15.622 12.456 ( -1.747 15.111 0.385) 15.217 13.102 ( 12.966 -9.553 0.208) 16.107 13.336 ( -11.469 -12.575 -1.407) 17.078 13.938 ( 2.718 1.386 -24.452) 24.642 13.986 ( -2.389 -0.897 -21.981) 22.129 15.575 ( 11.961 3.530 20.220) 23.756 15.819 ( -13.427 -1.166 18.703) 23.053 16.645 ( 3.578 -17.517 -2.548) 18.059 16.705 ( -2.555 -17.974 -1.084) 18.187 28.684 ( 5.787 14.228 0.664) 15.374 28.816 ( -8.056 13.359 -0.872) 15.624 29.221 ( 0.982 8.912 -0.879) 9.009 29.238 ( -0.842 8.856 -0.632) 8.919 31.670 ( 5.326 -0.786 -0.837) 5.448 31.742 ( -2.347 -1.612 -0.831) 2.966 32.472 ( 0.164 -5.669 -0.274) 5.678 32.479 ( -0.519 -6.647 -0.394) 6.679 83.476 ( 2.302 -0.555 -2.602) 3.518 83.513 ( -1.330 -0.964 -3.818) 4.156 84.134 ( 3.698 -12.534 22.813) 26.291 84.204 ( -3.345 -15.668 26.861) 31.276 ======================= Grid point 95 (37/144) ======================= q-point: ( 0.00 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.980 ( 0.000 17.633 0.668) 17.646 2.167 ( 0.000 21.421 1.840) 21.500 2.430 ( 0.000 11.072 -0.237) 11.074 2.738 ( 0.000 5.731 5.141) 7.699 2.928 ( 0.000 0.786 -8.455) 8.492 3.436 ( 0.000 -1.249 11.501) 11.569 3.721 ( 0.000 -7.413 -2.441) 7.804 3.972 ( 0.000 14.599 2.357) 14.788 4.604 ( 0.000 13.518 2.718) 13.789 4.960 ( 0.000 26.326 -3.321) 26.534 5.122 ( 0.000 23.746 0.026) 23.746 5.159 ( 0.000 25.141 -0.857) 25.156 6.983 ( 0.000 -2.139 3.924) 4.469 7.338 ( 0.000 -2.191 -0.013) 2.191 7.649 ( 0.000 13.499 -0.987) 13.535 7.753 ( 0.000 -4.071 3.920) 5.651 8.922 ( 0.000 -7.889 -3.565) 8.657 9.113 ( 0.000 8.983 -3.614) 9.682 9.189 ( 0.000 9.434 -0.125) 9.435 9.637 ( 0.000 10.102 -0.851) 10.138 9.998 ( 0.000 4.847 -0.564) 4.880 10.043 ( 0.000 -14.160 0.379) 14.165 10.429 ( 0.000 -6.290 -2.552) 6.788 10.553 ( 0.000 -2.541 -9.740) 10.066 11.439 ( 0.000 3.878 13.426) 13.975 12.174 ( 0.000 0.971 2.868) 3.027 12.557 ( 0.000 -1.921 2.674) 3.292 12.730 ( 0.000 15.194 -2.295) 15.366 12.817 ( 0.000 7.179 2.555) 7.621 13.256 ( 0.000 -13.312 -1.724) 13.423 13.883 ( 0.000 -3.551 -15.639) 16.037 13.980 ( 0.000 -2.455 -14.818) 15.020 15.439 ( 0.000 4.659 12.001) 12.874 15.941 ( 0.000 -8.500 9.037) 12.406 16.229 ( 0.000 -15.024 -2.738) 15.272 16.396 ( 0.000 -16.465 1.317) 16.518 28.872 ( 0.000 14.188 1.143) 14.234 29.239 ( 0.000 8.782 -2.848) 9.232 29.363 ( 0.000 8.191 0.071) 8.191 29.424 ( 0.000 7.036 0.399) 7.048 31.594 ( 0.000 5.474 0.641) 5.511 31.762 ( 0.000 0.446 -0.284) 0.528 32.332 ( 0.000 -7.739 -0.343) 7.746 32.367 ( 0.000 -5.648 -0.469) 5.667 83.418 ( 0.000 0.161 -0.525) 0.549 83.489 ( 0.000 -0.785 -1.863) 2.022 83.925 ( 0.000 -6.125 11.888) 13.373 83.974 ( 0.000 -10.930 18.163) 21.198 ======================= Grid point 96 (38/144) ======================= q-point: ( 0.20 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.014 ( 3.332 17.253 0.197) 17.573 2.161 ( -0.205 20.665 2.242) 20.787 2.378 ( -5.151 13.005 -0.637) 14.002 2.567 ( -11.280 7.695 5.200) 14.611 3.089 ( 10.737 0.133 -7.588) 13.148 3.483 ( 2.759 -1.435 8.122) 8.697 3.702 ( -0.056 -6.811 -0.028) 6.812 3.984 ( 0.216 8.617 3.578) 9.333 4.583 ( -0.945 19.747 3.223) 20.031 4.920 ( -6.252 28.084 -4.152) 29.069 5.091 ( 1.848 22.706 1.775) 22.850 5.212 ( 2.012 22.871 -2.422) 23.087 7.012 ( 3.089 -1.712 3.654) 5.082 7.375 ( 1.713 -0.054 -0.920) 1.945 7.490 ( -7.609 3.442 2.705) 8.779 7.842 ( 1.469 2.265 1.244) 2.973 8.775 ( -5.353 2.847 -2.381) 6.514 9.125 ( -5.976 10.234 -0.689) 11.871 9.354 ( 15.694 -0.910 -4.452) 16.338 9.692 ( 5.233 10.071 -0.216) 11.351 9.952 ( -3.987 -1.892 -1.943) 4.822 10.042 ( -1.210 -7.183 1.834) 7.512 10.454 ( 2.562 -5.948 -3.420) 7.324 10.563 ( 0.736 -2.858 -8.959) 9.432 11.463 ( 2.812 3.789 12.238) 13.116 12.025 ( -12.908 1.629 3.873) 13.575 12.640 ( 5.804 -0.476 2.391) 6.296 12.738 ( 0.622 13.112 -1.756) 13.244 12.828 ( 1.995 5.705 2.059) 6.385 13.205 ( -5.198 -12.355 -1.380) 13.475 13.890 ( 0.753 -3.662 -15.403) 15.850 13.968 ( -1.232 -2.654 -14.818) 15.104 15.492 ( 5.387 3.848 11.590) 13.347 15.897 ( -4.556 -6.656 9.232) 12.259 16.249 ( 1.993 -15.341 -2.362) 15.649 16.383 ( -1.347 -16.548 0.850) 16.624 28.897 ( 2.652 13.987 1.004) 14.272 29.186 ( -4.971 9.928 -1.816) 11.250 29.376 ( 1.030 7.909 -0.279) 7.980 29.419 ( -0.478 7.168 0.231) 7.188 31.625 ( 2.935 4.330 0.312) 5.240 31.757 ( -0.587 0.513 -0.339) 0.850 32.333 ( 0.181 -7.494 -0.349) 7.504 32.361 ( -0.520 -5.782 -0.441) 5.822 83.434 ( 1.651 0.241 -0.967) 1.929 83.499 ( 0.756 -0.679 -2.523) 2.719 83.916 ( -0.611 -7.105 13.772) 15.508 83.967 ( -0.849 -10.640 16.968) 20.045 ======================= Grid point 97 (39/144) ======================= q-point: ( 0.40 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.091 ( 4.494 17.190 -1.062) 17.800 2.162 ( -1.383 17.772 0.800) 17.844 2.291 ( -0.862 15.554 2.678) 15.806 2.382 ( -8.260 12.244 5.991) 15.939 3.280 ( 9.599 -1.250 -6.640) 11.738 3.440 ( -6.740 -1.941 -3.052) 7.649 3.794 ( 8.383 -5.280 7.737) 12.571 3.938 ( -5.625 -1.325 6.554) 8.738 4.619 ( 5.236 28.891 1.906) 29.423 4.762 ( -9.099 30.398 -0.882) 31.743 5.159 ( 3.992 20.977 -1.089) 21.381 5.215 ( -1.592 21.309 -2.490) 21.513 7.101 ( 6.400 -0.351 2.908) 7.038 7.250 ( -9.263 1.966 1.642) 9.610 7.563 ( 9.579 -0.527 1.213) 9.670 7.754 ( -9.362 1.127 0.752) 9.460 8.805 ( 7.206 8.288 -1.476) 11.081 8.974 ( -9.417 10.055 -1.071) 13.818 9.620 ( 11.976 -2.189 -5.174) 13.228 9.771 ( -1.371 6.882 -2.620) 7.490 9.891 ( 1.089 -4.516 0.169) 4.648 9.981 ( -5.111 -2.511 2.684) 6.296 10.515 ( 3.478 -4.926 -4.991) 7.828 10.562 ( -1.179 -3.761 -6.997) 8.031 11.562 ( 8.119 3.328 9.236) 12.740 11.767 ( -13.254 2.510 6.078) 14.795 12.713 ( 2.125 7.354 1.511) 7.803 12.738 ( -0.747 9.895 0.355) 9.930 12.922 ( 7.545 -3.334 0.458) 8.262 13.076 ( -8.087 -9.441 -0.548) 12.443 13.910 ( 1.348 -3.602 -15.008) 15.493 13.939 ( -1.668 -3.149 -14.832) 15.254 15.625 ( 8.213 1.358 10.695) 13.553 15.779 ( -7.692 -2.575 9.827) 12.742 16.296 ( 2.801 -15.990 -1.444) 16.297 16.347 ( -2.419 -16.482 -0.251) 16.661 28.969 ( 4.959 13.280 0.523) 14.185 29.076 ( -6.165 11.861 -0.431) 13.374 29.394 ( 0.843 7.630 -0.307) 7.683 29.408 ( -0.679 7.400 -0.079) 7.431 31.687 ( 3.229 2.260 -0.209) 3.947 31.735 ( -1.824 0.947 -0.401) 2.094 32.339 ( 0.440 -6.879 -0.362) 6.902 32.350 ( -0.656 -6.212 -0.391) 6.259 83.472 ( 2.145 0.257 -2.111) 3.021 83.502 ( -0.725 -0.145 -3.077) 3.164 83.916 ( 0.825 -8.929 15.698) 18.078 83.942 ( -1.669 -10.159 16.080) 19.093 ======================= Grid point 100 (40/144) ======================= q-point: ( 0.00 0.36 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.306 ( 0.000 14.187 -1.804) 14.302 2.583 ( 0.000 18.711 0.587) 18.720 2.649 ( 0.000 9.816 0.170) 9.818 2.873 ( 0.000 7.691 1.299) 7.800 2.934 ( 0.000 0.048 -6.990) 6.990 3.374 ( 0.000 -4.920 9.175) 10.411 3.556 ( 0.000 -8.362 -3.433) 9.039 3.951 ( 0.000 -9.793 1.317) 9.881 5.065 ( 0.000 24.492 1.698) 24.551 5.417 ( 0.000 17.595 -2.231) 17.736 5.562 ( 0.000 18.216 -1.644) 18.290 5.610 ( 0.000 18.102 -2.657) 18.296 6.985 ( 0.000 2.155 1.582) 2.673 7.293 ( 0.000 -2.362 0.189) 2.369 7.708 ( 0.000 0.051 3.251) 3.251 7.894 ( 0.000 8.693 -2.625) 9.080 8.822 ( 0.000 -0.271 -2.492) 2.507 9.269 ( 0.000 5.815 -5.646) 8.105 9.389 ( 0.000 9.545 -2.400) 9.842 9.694 ( 0.000 -4.409 1.765) 4.749 9.940 ( 0.000 3.704 -2.672) 4.567 10.050 ( 0.000 0.601 -0.912) 1.093 10.281 ( 0.000 -7.853 -0.554) 7.873 10.460 ( 0.000 -6.223 -6.015) 8.655 11.541 ( 0.000 6.269 9.556) 11.428 12.202 ( 0.000 1.747 4.319) 4.659 12.472 ( 0.000 -5.021 4.325) 6.627 12.684 ( 0.000 -15.437 2.393) 15.622 13.087 ( 0.000 15.363 -1.894) 15.479 13.225 ( 0.000 8.237 -1.200) 8.324 13.780 ( 0.000 -5.540 -10.153) 11.566 13.913 ( 0.000 -4.359 -7.945) 9.062 15.516 ( 0.000 2.985 5.589) 6.336 15.796 ( 0.000 -5.619 5.408) 7.799 15.953 ( 0.000 -11.635 -1.725) 11.762 16.083 ( 0.000 -13.560 1.347) 13.627 29.146 ( 0.000 12.281 0.786) 12.306 29.405 ( 0.000 7.210 -1.412) 7.347 29.508 ( 0.000 5.707 0.551) 5.734 29.538 ( 0.000 3.846 0.716) 3.912 31.715 ( 0.000 6.233 0.117) 6.234 31.788 ( 0.000 2.097 -0.444) 2.144 32.179 ( 0.000 -7.029 -0.315) 7.036 32.245 ( 0.000 -6.112 -0.627) 6.144 83.429 ( 0.000 0.750 0.233) 0.786 83.474 ( 0.000 -0.691 -1.007) 1.221 83.801 ( 0.000 -6.113 8.686) 10.621 83.815 ( 0.000 -4.473 7.534) 8.762 ======================= Grid point 101 (41/144) ======================= q-point: ( 0.20 0.36 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.338 ( 3.367 14.489 -1.848) 14.990 2.564 ( -1.345 17.950 1.226) 18.042 2.640 ( -1.736 12.041 -0.389) 12.171 2.736 ( -7.467 9.057 0.709) 11.760 3.079 ( 8.546 -0.911 -6.561) 10.813 3.418 ( 3.055 -4.813 7.858) 9.708 3.533 ( -0.787 -9.123 -2.310) 9.443 3.911 ( -4.227 -10.205 2.590) 11.345 5.096 ( 3.346 24.809 1.135) 25.060 5.417 ( -1.767 19.441 -3.881) 19.903 5.516 ( -1.538 17.729 0.285) 17.798 5.628 ( 0.234 16.762 -2.927) 17.017 7.019 ( 3.681 2.288 1.587) 4.615 7.352 ( 5.929 -2.105 -0.108) 6.292 7.548 ( -12.101 2.945 2.151) 12.638 7.906 ( -3.313 2.057 -0.989) 4.023 8.844 ( 4.221 5.453 -3.156) 7.584 9.337 ( -5.416 10.088 -2.882) 11.807 9.376 ( 9.463 2.351 -5.145) 11.025 9.731 ( 2.632 -5.690 1.354) 6.413 9.918 ( -1.234 5.194 -2.962) 6.105 10.058 ( 0.064 1.284 0.510) 1.383 10.310 ( 3.199 -7.779 -1.548) 8.553 10.468 ( 0.458 -6.178 -5.533) 8.306 11.562 ( 2.423 6.043 9.071) 11.166 12.069 ( -11.669 2.735 4.998) 12.986 12.522 ( 3.553 -7.485 3.984) 9.194 12.669 ( -1.512 -15.345 2.571) 15.632 13.094 ( 0.831 15.002 -1.739) 15.125 13.204 ( -2.060 9.307 -1.181) 9.605 13.790 ( 1.006 -5.397 -9.874) 11.297 13.897 ( -1.626 -4.440 -8.111) 9.388 15.552 ( 3.652 2.235 5.464) 6.942 15.778 ( -1.877 -4.744 5.267) 7.333 15.968 ( 1.523 -11.784 -1.385) 11.963 16.073 ( -1.080 -13.281 1.094) 13.369 29.166 ( 2.083 11.991 0.725) 12.192 29.372 ( -3.175 8.082 -0.798) 8.719 29.514 ( 0.513 5.265 0.237) 5.295 29.536 ( -0.189 4.049 0.599) 4.097 31.728 ( 1.231 5.576 -0.003) 5.711 31.786 ( -0.248 2.289 -0.438) 2.344 32.184 ( 0.569 -6.907 -0.347) 6.939 32.238 ( -0.733 -6.162 -0.599) 6.234 83.446 ( 1.763 0.825 -0.078) 1.948 83.489 ( 1.352 -0.332 -1.508) 2.052 83.782 ( -1.616 -5.790 9.150) 10.948 83.806 ( -1.168 -5.420 7.786) 9.558 ======================= Grid point 102 (42/144) ======================= q-point: ( 0.40 0.36 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.426 ( 5.707 15.625 -1.609) 16.712 2.529 ( -3.939 17.607 0.361) 18.045 2.594 ( -0.826 13.558 0.347) 13.588 2.630 ( -3.855 11.906 1.750) 12.636 3.233 ( 7.968 -3.278 -6.090) 10.551 3.372 ( -6.385 -4.440 -3.256) 8.431 3.629 ( 8.895 -10.068 6.233) 14.810 3.795 ( -7.954 -10.496 5.056) 14.106 5.189 ( 6.299 24.624 -0.314) 25.419 5.319 ( -7.054 23.104 -2.256) 24.262 5.548 ( 3.356 15.660 -1.165) 16.058 5.606 ( -2.407 15.755 -2.514) 16.135 7.126 ( 7.759 2.827 1.531) 8.399 7.306 ( -11.089 3.738 1.214) 11.765 7.529 ( 10.766 -2.798 0.391) 11.130 7.751 ( -11.585 -1.854 -0.264) 11.735 8.994 ( 10.508 10.191 -3.618) 15.079 9.192 ( -9.714 10.889 -3.490) 15.004 9.564 ( 9.605 -1.603 -4.455) 10.709 9.712 ( -5.359 -4.846 -2.639) 7.692 9.950 ( 4.487 4.944 0.291) 6.683 10.030 ( -3.164 2.701 1.419) 4.396 10.391 ( 4.658 -7.072 -3.008) 8.987 10.457 ( -2.006 -6.374 -4.370) 7.984 11.648 ( 7.191 5.304 7.803) 11.863 11.834 ( -12.120 4.131 6.281) 14.262 12.581 ( 2.785 -11.734 3.540) 12.569 12.631 ( -2.465 -14.503 3.023) 15.018 13.118 ( 1.725 13.820 -1.431) 14.001 13.159 ( -2.490 11.692 -1.219) 12.016 13.818 ( 1.912 -5.048 -9.226) 10.689 13.858 ( -2.295 -4.682 -8.567) 10.029 15.638 ( 5.001 0.203 5.228) 7.237 15.724 ( -3.889 -2.474 5.127) 6.894 16.004 ( 2.172 -12.177 -0.574) 12.383 16.044 ( -1.927 -12.713 0.375) 12.864 29.222 ( 3.716 11.109 0.495) 11.725 29.299 ( -4.295 9.689 -0.002) 10.599 29.524 ( 0.465 4.734 0.128) 4.758 29.531 ( -0.352 4.389 0.336) 4.416 31.755 ( 1.430 4.174 -0.234) 4.419 31.777 ( -0.828 2.954 -0.389) 3.092 32.200 ( 1.003 -6.619 -0.428) 6.708 32.220 ( -1.106 -6.332 -0.525) 6.449 83.486 ( 2.077 1.009 -1.143) 2.577 83.507 ( 0.097 0.651 -2.161) 2.259 83.759 ( -0.280 -6.369 9.762) 11.659 83.776 ( -1.691 -6.313 8.738) 10.912 ======================= Grid point 105 (43/144) ======================= q-point: ( 0.00 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.568 ( 0.000 11.229 -2.067) 11.417 2.830 ( 0.000 8.264 -1.168) 8.347 2.832 ( 0.000 0.854 -5.861) 5.923 3.023 ( 0.000 12.219 2.117) 12.401 3.050 ( 0.000 9.041 -0.891) 9.085 3.236 ( 0.000 -7.358 2.729) 7.848 3.390 ( 0.000 -7.651 -2.302) 7.990 3.694 ( 0.000 -14.318 1.375) 14.384 5.486 ( 0.000 15.638 -0.497) 15.646 5.670 ( 0.000 6.860 -1.553) 7.034 5.853 ( 0.000 9.886 -2.306) 10.152 5.886 ( 0.000 8.634 -3.336) 9.256 7.059 ( 0.000 4.557 -0.239) 4.563 7.235 ( 0.000 -3.371 -0.308) 3.385 7.756 ( 0.000 4.323 2.336) 4.913 7.959 ( 0.000 -1.990 -0.806) 2.147 8.940 ( 0.000 10.724 -4.885) 11.784 9.319 ( 0.000 -1.875 -7.624) 7.852 9.557 ( 0.000 6.116 -3.537) 7.065 9.624 ( 0.000 -1.299 0.983) 1.629 10.015 ( 0.000 2.181 -2.928) 3.651 10.059 ( 0.000 0.963 -0.965) 1.363 10.131 ( 0.000 -5.417 0.986) 5.506 10.312 ( 0.000 -7.765 -3.230) 8.410 11.710 ( 0.000 10.431 6.724) 12.411 12.246 ( 0.000 2.515 5.337) 5.900 12.306 ( 0.000 -15.920 2.609) 16.132 12.394 ( 0.000 -6.173 5.954) 8.577 13.355 ( 0.000 10.360 -3.356) 10.890 13.433 ( 0.000 10.968 0.246) 10.971 13.664 ( 0.000 -5.919 -7.039) 9.197 13.801 ( 0.000 -6.519 -2.948) 7.155 15.572 ( 0.000 2.748 2.193) 3.516 15.716 ( 0.000 -1.922 3.408) 3.912 15.756 ( 0.000 -7.506 -0.898) 7.560 15.852 ( 0.000 -8.735 1.677) 8.895 29.367 ( 0.000 8.998 0.469) 9.010 29.524 ( 0.000 3.775 -0.866) 3.873 29.580 ( 0.000 0.514 1.211) 1.316 29.591 ( 0.000 2.338 0.800) 2.471 31.846 ( 0.000 3.517 -0.575) 3.564 31.847 ( 0.000 6.495 -0.358) 6.505 32.045 ( 0.000 -5.937 -0.341) 5.946 32.117 ( 0.000 -6.360 -0.618) 6.390 83.443 ( 0.000 0.597 1.303) 1.433 83.461 ( 0.000 -0.499 0.081) 0.506 83.717 ( 0.000 -2.204 3.260) 3.935 83.741 ( 0.000 -2.756 4.005) 4.862 ======================= Grid point 106 (44/144) ======================= q-point: ( 0.20 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.612 ( 4.565 11.948 -2.056) 12.954 2.831 ( 0.321 9.527 -0.743) 9.561 2.848 ( 0.944 4.449 -4.548) 6.432 2.988 ( -3.107 15.862 1.604) 16.242 3.078 ( 2.102 2.302 -3.474) 4.668 3.273 ( 4.344 -9.207 4.818) 11.263 3.356 ( -3.457 -7.528 -3.158) 8.866 3.653 ( -4.235 -14.234 2.105) 14.999 5.517 ( 3.146 15.477 -0.841) 15.815 5.693 ( 2.199 7.281 -2.132) 7.899 5.810 ( -3.660 10.685 -2.002) 11.471 5.881 ( -1.131 7.685 -3.057) 8.348 7.095 ( 4.004 4.757 -0.021) 6.218 7.289 ( 5.764 -3.857 -0.307) 6.942 7.635 ( -10.974 5.515 1.628) 12.389 7.882 ( -8.348 -4.184 -0.354) 9.344 9.025 ( 8.442 11.464 -5.196) 15.155 9.391 ( 6.735 -2.224 -7.138) 10.063 9.525 ( -3.641 7.534 -4.170) 9.349 9.657 ( 2.231 -1.434 -0.437) 2.688 9.997 ( -0.658 2.249 -2.172) 3.195 10.084 ( 1.177 1.997 0.480) 2.367 10.152 ( 2.839 -6.875 -0.054) 7.439 10.321 ( 0.548 -7.688 -2.868) 8.224 11.724 ( 1.781 10.079 6.687) 12.226 12.140 ( -9.436 4.235 5.627) 11.774 12.306 ( -0.224 -16.192 3.060) 16.480 12.386 ( -1.505 -8.024 5.588) 9.894 13.360 ( 0.507 10.462 -2.976) 10.889 13.422 ( -1.099 11.003 -0.094) 11.058 13.674 ( 1.134 -5.940 -6.584) 8.939 13.785 ( -1.600 -6.435 -3.324) 7.418 15.595 ( 2.295 2.236 2.241) 3.910 15.711 ( -0.571 -1.539 3.142) 3.545 15.770 ( 1.377 -7.475 -0.570) 7.623 15.848 ( -0.475 -8.456 1.485) 8.599 29.381 ( 1.440 8.711 0.486) 8.842 29.510 ( -1.561 4.993 -0.333) 5.242 29.575 ( -0.165 0.326 0.737) 0.822 29.593 ( -0.067 1.720 0.765) 1.884 31.849 ( 0.209 3.734 -0.551) 3.781 31.849 ( 0.206 6.112 -0.373) 6.127 32.052 ( 0.668 -5.967 -0.394) 6.018 32.110 ( -0.734 -6.301 -0.613) 6.374 83.463 ( 2.069 0.784 1.055) 2.451 83.484 ( 2.216 -0.208 0.028) 2.226 83.696 ( -2.098 -2.433 3.591) 4.818 83.721 ( -2.072 -3.061 3.952) 5.411 ======================= Grid point 107 (45/144) ======================= q-point: ( 0.40 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.729 ( 7.418 13.390 -2.018) 15.440 2.837 ( -1.038 10.559 -2.651) 10.936 2.851 ( -0.007 11.590 -0.084) 11.590 2.895 ( -5.669 15.060 0.280) 16.094 3.150 ( 5.518 -4.295 -4.498) 8.315 3.263 ( -5.802 -6.041 -3.329) 9.013 3.397 ( 7.732 -12.155 4.273) 15.026 3.542 ( -7.241 -13.646 3.556) 15.853 5.598 ( 5.198 14.845 -1.692) 15.820 5.695 ( -4.251 13.202 -3.012) 14.193 5.778 ( 2.498 6.559 -1.324) 7.142 5.840 ( -3.117 6.688 -2.542) 7.804 7.212 ( 8.493 5.340 0.439) 10.042 7.407 ( -11.059 5.771 0.725) 12.495 7.449 ( 9.831 -4.768 -0.018) 10.926 7.674 ( -12.625 -5.439 -0.212) 13.749 9.219 ( 11.098 11.259 -5.448) 16.721 9.409 ( -8.505 9.820 -5.188) 13.988 9.536 ( 7.719 -2.385 -6.179) 10.171 9.651 ( -3.660 -2.071 -4.144) 5.904 10.021 ( 3.093 2.638 0.553) 4.103 10.076 ( -1.996 2.532 1.459) 3.539 10.236 ( 5.115 -7.592 -1.176) 9.229 10.310 ( -2.235 -7.627 -2.105) 8.222 11.792 ( 5.798 8.920 6.556) 12.497 11.945 ( -10.151 6.883 6.203) 13.744 12.309 ( 0.871 -15.006 3.909) 15.531 12.342 ( -2.535 -11.957 4.906) 13.170 13.374 ( 1.011 10.726 -2.046) 10.966 13.397 ( -1.376 10.964 -0.963) 11.092 13.705 ( 2.031 -6.044 -5.502) 8.421 13.747 ( -2.321 -6.238 -4.287) 7.917 15.646 ( 2.817 0.965 2.396) 3.822 15.690 ( -1.723 -0.470 2.705) 3.241 15.801 ( 1.799 -7.544 0.139) 7.757 15.831 ( -1.290 -7.902 0.926) 8.059 29.418 ( 2.474 7.884 0.484) 8.277 29.468 ( -2.647 6.630 0.301) 7.145 29.578 ( 0.439 0.413 0.400) 0.724 29.587 ( -0.483 1.022 0.536) 1.251 31.852 ( 0.148 4.339 -0.489) 4.369 31.853 ( 0.108 5.237 -0.419) 5.255 32.069 ( 1.122 -6.049 -0.502) 6.173 32.091 ( -1.163 -6.171 -0.582) 6.307 83.512 ( 2.615 1.494 0.225) 3.020 83.528 ( 1.557 1.229 -0.564) 2.063 83.654 ( -1.435 -3.788 4.635) 6.155 83.672 ( -2.666 -3.946 4.293) 6.412 ======================= Grid point 110 (46/144) ======================= q-point: ( 0.00 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.755 ( 0.000 -6.702 -3.619) 7.616 2.755 ( 0.000 6.702 -3.619) 7.616 3.010 ( 0.000 -9.166 -0.181) 9.168 3.010 ( 0.000 9.166 -0.181) 9.168 3.227 ( 0.000 -7.847 -1.523) 7.993 3.227 ( 0.000 7.847 -1.523) 7.993 3.382 ( 0.000 -15.360 1.095) 15.399 3.382 ( 0.000 15.360 1.095) 15.399 5.694 ( 0.000 -4.510 -1.371) 4.714 5.694 ( 0.000 4.510 -1.371) 4.714 5.965 ( 0.000 -0.919 -2.964) 3.103 5.965 ( 0.000 0.919 -2.964) 3.103 7.154 ( 0.000 -4.440 -0.802) 4.512 7.154 ( 0.000 4.440 -0.802) 4.512 7.866 ( 0.000 -5.796 1.181) 5.915 7.866 ( 0.000 5.796 1.181) 5.915 9.181 ( 0.000 -10.748 -7.160) 12.915 9.181 ( 0.000 10.748 -7.160) 12.915 9.621 ( 0.000 -0.394 -1.801) 1.844 9.621 ( 0.000 0.394 -1.801) 1.844 10.038 ( 0.000 -1.172 -1.459) 1.871 10.038 ( 0.000 1.172 -1.459) 1.871 10.162 ( 0.000 -6.163 -0.886) 6.226 10.162 ( 0.000 6.163 -0.886) 6.226 11.973 ( 0.000 -14.992 4.604) 15.683 11.973 ( 0.000 14.992 4.604) 15.683 12.307 ( 0.000 -3.437 5.780) 6.725 12.307 ( 0.000 3.437 5.780) 6.725 13.531 ( 0.000 -7.211 -4.877) 8.705 13.531 ( 0.000 7.211 -4.877) 8.705 13.643 ( 0.000 -8.992 -0.258) 8.996 13.643 ( 0.000 8.992 -0.258) 8.996 15.639 ( 0.000 -4.121 0.293) 4.131 15.639 ( 0.000 4.121 0.293) 4.131 15.728 ( 0.000 -3.278 2.264) 3.984 15.728 ( 0.000 3.278 2.264) 3.984 29.509 ( 0.000 -4.577 0.030) 4.577 29.509 ( 0.000 4.577 0.030) 4.577 29.604 ( 0.000 -1.037 0.926) 1.390 29.604 ( 0.000 1.037 0.926) 1.390 31.930 ( 0.000 -4.115 -0.830) 4.198 31.930 ( 0.000 4.115 -0.830) 4.198 31.987 ( 0.000 -5.848 -0.231) 5.853 31.987 ( 0.000 5.848 -0.231) 5.853 83.453 ( 0.000 -0.376 1.178) 1.236 83.453 ( 0.000 0.376 1.178) 1.236 83.704 ( 0.000 -0.738 2.047) 2.175 83.704 ( 0.000 0.738 2.047) 2.176 ======================= Grid point 112 (47/144) ======================= q-point: ( 0.20 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.809 ( 5.375 -6.599 -3.694) 9.278 2.809 ( 5.375 6.599 -3.694) 9.278 3.031 ( 1.987 -9.933 -0.291) 10.134 3.031 ( 1.987 9.933 -0.291) 10.134 3.204 ( -2.203 -6.574 -1.614) 7.119 3.204 ( -2.203 6.574 -1.614) 7.119 3.342 ( -4.016 -15.423 1.633) 16.021 3.342 ( -4.016 15.423 1.633) 16.021 5.722 ( 2.807 -4.384 -1.598) 5.445 5.722 ( 2.807 4.384 -1.598) 5.445 5.941 ( -2.468 -1.827 -2.878) 4.209 5.941 ( -2.468 1.827 -2.878) 4.209 7.198 ( 4.713 -4.918 -0.605) 6.838 7.198 ( 4.713 4.918 -0.605) 6.838 7.764 ( -9.916 -6.594 0.860) 11.940 7.764 ( -9.916 6.594 0.860) 11.940 9.260 ( 7.598 -10.003 -6.976) 14.368 9.260 ( 7.598 10.003 -6.976) 14.368 9.630 ( -0.094 -2.585 -3.232) 4.140 9.630 ( -0.094 2.585 -3.232) 4.140 10.042 ( 1.155 -3.155 -0.723) 3.436 10.042 ( 1.155 3.155 -0.723) 3.436 10.172 ( 0.644 -6.160 -0.471) 6.212 10.172 ( 0.644 6.160 -0.471) 6.212 11.979 ( 0.818 -14.495 4.789) 15.288 11.979 ( 0.818 14.495 4.789) 15.288 12.247 ( -5.878 -5.921 5.815) 10.170 12.247 ( -5.878 5.921 5.815) 10.170 13.539 ( 0.898 -7.380 -4.395) 8.636 13.539 ( 0.898 7.380 -4.395) 8.636 13.630 ( -1.343 -8.833 -0.711) 8.963 13.630 ( -1.343 8.833 -0.711) 8.963 15.655 ( 1.563 -3.906 0.478) 4.235 15.655 ( 1.563 3.906 0.478) 4.235 15.727 ( -0.155 -3.267 2.056) 3.864 15.727 ( -0.155 3.267 2.056) 3.864 29.517 ( 0.874 -4.325 0.121) 4.414 29.517 ( 0.874 4.325 0.121) 4.414 29.594 ( -0.995 -1.593 0.846) 2.060 29.594 ( -0.995 1.593 0.846) 2.060 31.936 ( 0.617 -4.242 -0.777) 4.357 31.936 ( 0.617 4.242 -0.777) 4.357 31.982 ( -0.503 -5.644 -0.293) 5.674 31.982 ( -0.503 5.644 -0.293) 5.674 83.477 ( 2.489 -0.504 1.258) 2.834 83.477 ( 2.489 0.504 1.258) 2.834 83.680 ( -2.455 -0.767 1.961) 3.235 83.680 ( -2.455 0.767 1.961) 3.235 ======================= Grid point 114 (48/144) ======================= q-point: ( 0.40 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.936 ( 7.382 -4.965 -3.963) 9.739 2.936 ( 7.382 4.965 -3.963) 9.739 3.045 ( -2.597 -4.444 -2.820) 5.869 3.045 ( -2.597 4.444 -2.820) 5.869 3.177 ( 1.173 -4.382 0.793) 4.605 3.177 ( 1.173 4.382 0.793) 4.605 3.249 ( -5.256 -13.822 2.441) 14.988 3.249 ( -5.256 13.822 2.441) 14.988 5.792 ( 4.425 -3.933 -2.111) 6.285 5.792 ( 4.425 3.933 -2.111) 6.285 5.876 ( -4.224 -3.056 -2.594) 5.824 5.876 ( -4.224 3.056 -2.594) 5.824 7.332 ( 9.504 -5.994 -0.155) 11.238 7.332 ( 9.504 5.994 -0.155) 11.238 7.543 ( -12.379 -6.846 0.341) 14.150 7.543 ( -12.379 6.846 0.341) 14.150 9.428 ( 9.245 -8.237 -6.621) 14.041 9.428 ( 9.245 8.237 -6.621) 14.041 9.576 ( -5.852 -5.927 -5.651) 10.065 9.576 ( -5.852 5.927 -5.651) 10.065 10.098 ( 4.216 -5.382 0.388) 6.848 10.098 ( 4.216 5.382 0.388) 6.848 10.163 ( -2.063 -6.058 0.156) 6.401 10.163 ( -2.063 6.058 0.156) 6.401 12.017 ( 3.610 -12.820 5.284) 14.329 12.017 ( 3.610 12.820 5.284) 14.329 12.118 ( -6.855 -9.771 5.729) 13.239 12.118 ( -6.855 9.771 5.729) 13.239 13.563 ( 1.631 -7.833 -3.223) 8.626 13.563 ( 1.631 7.833 -3.223) 8.626 13.598 ( -1.908 -8.395 -1.846) 8.805 13.598 ( -1.908 8.395 -1.846) 8.805 15.690 ( 1.852 -3.490 0.953) 4.064 15.690 ( 1.852 3.490 0.953) 4.064 15.717 ( -0.994 -3.272 1.545) 3.753 15.717 ( -0.994 3.272 1.545) 3.753 29.540 ( 1.473 -3.621 0.354) 3.925 29.540 ( 1.473 3.621 0.354) 3.925 29.569 ( -1.548 -2.623 0.631) 3.110 29.569 ( -1.548 2.623 0.631) 3.110 31.951 ( 0.943 -4.613 -0.635) 4.751 31.951 ( 0.943 4.613 -0.635) 4.751 31.968 ( -0.873 -5.148 -0.450) 5.241 31.968 ( -0.873 5.148 -0.450) 5.241 83.540 ( 4.010 -0.695 1.472) 4.328 83.540 ( 4.010 0.695 1.472) 4.328 83.618 ( -3.989 -0.785 1.740) 4.423 83.618 ( -3.989 0.785 1.740) 4.423 ======================= Grid point 150 (49/144) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( 0.000 0.000 19.077) 19.077 0.948 ( 0.000 0.000 21.622) 21.622 1.738 ( 0.000 0.000 28.260) 28.260 1.980 ( 0.000 0.000 13.043) 13.043 2.159 ( 0.000 0.000 6.101) 6.101 2.374 ( 0.000 0.000 -3.135) 3.135 2.862 ( 0.000 0.000 -2.598) 2.598 3.020 ( 0.000 0.000 -5.451) 5.451 3.718 ( 0.000 0.000 1.509) 1.509 4.030 ( 0.000 0.000 -1.711) 1.711 4.324 ( 0.000 0.000 17.828) 17.828 4.948 ( 0.000 0.000 7.294) 7.294 7.233 ( 0.000 0.000 11.198) 11.198 7.243 ( 0.000 0.000 2.190) 2.190 7.559 ( 0.000 0.000 -1.189) 1.189 7.924 ( 0.000 0.000 -3.770) 3.770 8.297 ( 0.000 0.000 0.952) 0.952 8.477 ( 0.000 0.000 -0.255) 0.255 8.496 ( 0.000 0.000 -1.511) 1.511 8.874 ( 0.000 0.000 -6.972) 6.972 9.915 ( 0.000 0.000 13.234) 13.234 10.465 ( 0.000 0.000 -8.712) 8.712 10.493 ( 0.000 0.000 -8.181) 8.181 11.840 ( 0.000 0.000 1.471) 1.471 11.844 ( 0.000 0.000 -13.125) 13.125 11.922 ( 0.000 0.000 1.525) 1.525 11.990 ( 0.000 0.000 -0.146) 0.146 12.118 ( 0.000 0.000 -0.682) 0.682 12.146 ( 0.000 0.000 7.977) 7.977 12.895 ( 0.000 0.000 -13.086) 13.086 12.917 ( 0.000 0.000 0.928) 0.928 14.095 ( 0.000 0.000 -9.520) 9.520 15.790 ( 0.000 0.000 30.252) 30.252 17.016 ( 0.000 0.000 -6.346) 6.346 17.399 ( 0.000 0.000 0.922) 0.922 17.582 ( 0.000 0.000 -1.610) 1.610 28.094 ( 0.000 0.000 4.762) 4.762 28.194 ( 0.000 0.000 3.948) 3.948 28.781 ( 0.000 0.000 -3.055) 3.055 28.844 ( 0.000 0.000 -3.316) 3.316 31.417 ( 0.000 0.000 3.855) 3.855 31.852 ( 0.000 0.000 -0.713) 0.713 32.652 ( 0.000 0.000 0.584) 0.584 32.759 ( 0.000 0.000 -1.881) 1.881 83.548 ( 0.000 0.000 5.183) 5.183 83.822 ( 0.000 0.000 10.840) 10.840 84.976 ( 0.000 0.000 30.923) 30.923 88.053 ( 0.000 0.000 -11.625) 11.625 ======================= Grid point 151 (50/144) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( 7.581 0.000 14.467) 16.333 1.068 ( 11.855 0.000 18.277) 21.785 1.709 ( -8.211 0.000 10.327) 13.193 1.974 ( -14.534 0.000 5.478) 15.532 2.031 ( 11.106 0.000 27.091) 29.279 2.507 ( 9.104 0.000 -1.754) 9.271 2.840 ( -2.338 0.000 -2.525) 3.441 3.015 ( -3.961 0.000 -1.775) 4.340 3.592 ( -6.143 0.000 5.206) 8.052 3.994 ( -5.823 0.000 1.468) 6.006 4.466 ( 12.182 0.000 10.241) 15.915 4.920 ( -2.908 0.000 6.828) 7.421 7.268 ( 2.591 0.000 1.977) 3.259 7.276 ( 4.430 0.000 10.746) 11.623 7.521 ( -3.798 0.000 -0.665) 3.855 7.787 ( -11.754 0.000 3.178) 12.176 8.324 ( 2.627 0.000 0.518) 2.678 8.482 ( -1.464 0.000 -1.382) 2.014 8.484 ( 4.814 0.000 -1.553) 5.059 8.959 ( 1.247 0.000 -5.114) 5.264 10.074 ( 11.939 0.000 -1.286) 12.008 10.419 ( -3.296 0.000 -9.342) 9.906 10.683 ( 19.884 0.000 -10.813) 22.634 11.834 ( -4.279 0.000 -17.862) 18.367 11.845 ( 0.536 0.000 1.470) 1.564 11.907 ( -1.297 0.000 1.434) 1.934 12.010 ( 1.759 0.000 -0.111) 1.763 12.109 ( -0.983 0.000 -0.625) 1.165 12.111 ( -0.254 0.000 11.456) 11.459 12.664 ( -12.659 0.000 -11.303) 16.971 13.201 ( 17.460 0.000 -3.071) 17.729 14.023 ( -7.386 0.000 -8.843) 11.522 15.888 ( 10.346 0.000 30.843) 32.532 16.979 ( -8.582 0.000 4.074) 9.500 17.273 ( -9.757 0.000 4.197) 10.622 17.478 ( -6.330 0.000 -4.161) 7.575 28.103 ( 0.905 0.000 4.686) 4.773 28.183 ( -1.058 0.000 4.027) 4.164 28.788 ( 0.704 0.000 -3.081) 3.161 28.839 ( -0.549 0.000 -3.293) 3.338 31.549 ( 11.286 0.000 -2.342) 11.527 31.850 ( -0.308 0.000 -1.633) 1.662 32.654 ( 0.447 0.000 0.521) 0.686 32.747 ( -1.263 0.000 -1.764) 2.169 83.547 ( 0.239 0.000 6.044) 6.049 83.756 ( -5.796 0.000 9.984) 11.544 85.174 ( 19.889 0.000 31.480) 37.237 87.467 ( -52.260 0.000 12.302) 53.688 ======================= Grid point 152 (51/144) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( 13.214 0.000 7.521) 15.204 1.348 ( 16.898 0.000 12.528) 21.036 1.467 ( -15.070 0.000 4.666) 15.776 1.672 ( -17.108 0.000 8.044) 18.905 2.368 ( 21.850 0.000 23.883) 32.370 2.662 ( 7.154 0.000 -1.964) 7.419 2.773 ( -4.728 0.000 -2.306) 5.261 2.777 ( -19.746 0.000 11.822) 23.015 3.631 ( 8.684 0.000 3.233) 9.266 3.829 ( -10.822 0.000 2.585) 11.126 4.686 ( 10.183 0.000 5.942) 11.790 4.838 ( -6.047 0.000 5.786) 8.369 7.337 ( 4.578 0.000 1.353) 4.774 7.393 ( 7.912 0.000 9.523) 12.381 7.432 ( -5.260 0.000 0.391) 5.275 7.569 ( -10.704 0.000 7.737) 13.207 8.383 ( 3.388 0.000 -0.304) 3.402 8.442 ( -2.734 0.000 -0.983) 2.905 8.652 ( 11.539 0.000 -1.803) 11.679 8.865 ( -9.716 0.000 -1.393) 9.815 10.241 ( 6.373 0.000 -9.331) 11.300 10.343 ( -4.719 0.000 -10.190) 11.230 11.165 ( 27.087 0.000 -15.906) 31.411 11.606 ( -18.865 0.000 -14.956) 24.074 11.860 ( 0.991 0.000 1.460) 1.764 11.882 ( -1.302 0.000 1.435) 1.937 12.047 ( 2.042 0.000 -0.259) 2.059 12.083 ( -1.722 0.000 -0.467) 1.784 12.212 ( 9.468 0.000 0.229) 9.470 12.424 ( -12.561 0.000 -9.327) 15.645 13.536 ( 17.339 0.000 -4.912) 18.022 13.827 ( -13.259 0.000 -7.218) 15.096 16.171 ( 19.478 0.000 31.647) 37.161 16.601 ( -25.180 0.000 27.921) 37.598 17.256 ( 4.746 0.000 -5.870) 7.549 17.366 ( -6.102 0.000 -5.940) 8.516 28.127 ( 1.526 0.000 4.485) 4.738 28.157 ( -1.619 0.000 4.233) 4.532 28.805 ( 1.045 0.000 -3.149) 3.318 28.824 ( -0.951 0.000 -3.230) 3.368 31.740 ( 7.608 0.000 -6.205) 9.818 31.829 ( -2.410 0.000 -4.127) 4.779 32.674 ( 1.723 0.000 -0.179) 1.732 32.713 ( -2.159 0.000 -1.213) 2.477 83.571 ( 2.583 0.000 7.218) 7.666 83.646 ( -5.284 0.000 8.281) 9.823 85.685 ( 34.148 0.000 33.635) 47.931 86.465 ( -49.105 0.000 32.279) 58.764 ======================= Grid point 155 (52/144) ======================= q-point: ( 0.00 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( 0.000 12.644 15.417) 19.939 1.226 ( 0.000 17.936 19.904) 26.793 1.886 ( 0.000 12.619 10.796) 16.607 2.065 ( 0.000 12.698 20.418) 24.045 2.334 ( 0.000 14.635 8.688) 17.020 2.521 ( 0.000 11.458 -2.974) 11.837 3.006 ( 0.000 11.254 -3.438) 11.767 3.144 ( 0.000 14.978 -4.665) 15.688 3.776 ( 0.000 6.211 0.360) 6.221 4.016 ( 0.000 -1.341 -1.267) 1.845 4.329 ( 0.000 0.871 16.802) 16.825 4.928 ( 0.000 -1.824 7.333) 7.556 7.212 ( 0.000 0.330 8.319) 8.326 7.471 ( 0.000 10.789 2.814) 11.150 7.524 ( 0.000 -2.955 -0.603) 3.015 7.953 ( 0.000 2.028 -1.978) 2.833 8.310 ( 0.000 6.805 -0.891) 6.863 8.526 ( 0.000 4.898 -0.787) 4.961 8.601 ( 0.000 9.314 -1.678) 9.464 9.056 ( 0.000 13.323 -12.094) 17.994 9.890 ( 0.000 -2.105 11.995) 12.178 10.373 ( 0.000 -9.216 -7.036) 11.595 10.455 ( 0.000 -0.755 -8.530) 8.563 11.445 ( 0.000 -24.731 -8.737) 26.228 11.843 ( 0.000 -10.028 13.535) 16.845 11.904 ( 0.000 6.022 0.617) 6.054 11.986 ( 0.000 6.148 0.768) 6.196 12.180 ( 0.000 1.254 2.661) 2.942 12.471 ( 0.000 24.646 -15.081) 28.894 12.913 ( 0.000 -0.465 1.788) 1.848 13.196 ( 0.000 19.747 -18.400) 26.991 14.019 ( 0.000 -7.187 -8.913) 11.449 15.784 ( 0.000 -0.606 28.552) 28.558 16.945 ( 0.000 -6.794 -6.025) 9.081 17.315 ( 0.000 -7.939 0.974) 7.998 17.334 ( 0.000 -20.763 6.747) 21.831 28.166 ( 0.000 6.757 4.499) 8.118 28.372 ( 0.000 14.411 -1.919) 14.538 28.832 ( 0.000 4.879 -2.824) 5.638 28.898 ( 0.000 5.122 -3.219) 6.050 31.429 ( 0.000 1.189 3.667) 3.855 31.836 ( 0.000 -1.468 -0.564) 1.572 32.629 ( 0.000 -2.171 0.454) 2.218 32.721 ( 0.000 -3.526 -1.664) 3.899 83.543 ( 0.000 -0.454 4.897) 4.918 83.759 ( 0.000 -5.608 10.725) 12.103 84.898 ( 0.000 -7.273 29.466) 30.350 87.174 ( 0.000 -68.217 21.975) 71.669 ======================= Grid point 156 (53/144) ======================= q-point: ( 0.20 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( 4.016 10.600 12.843) 17.130 1.316 ( 8.765 15.637 17.758) 25.233 1.782 ( -11.097 7.620 4.241) 14.114 2.141 ( -6.068 13.179 9.648) 17.424 2.200 ( 6.056 18.693 23.184) 30.391 2.660 ( 9.380 12.249 -1.692) 15.520 3.001 ( -1.347 12.981 -3.118) 13.418 3.125 ( -4.160 13.423 -2.610) 14.293 3.646 ( -6.602 5.617 4.484) 9.759 3.999 ( -4.909 0.737 1.931) 5.326 4.455 ( 11.302 -0.643 9.870) 15.019 4.901 ( -2.874 -1.768 6.777) 7.571 7.240 ( 3.101 -0.330 8.100) 8.679 7.466 ( -0.315 9.181 3.270) 9.751 7.515 ( -1.004 -0.786 0.116) 1.281 7.772 ( -14.381 1.152 4.336) 15.064 8.337 ( 3.992 3.163 -1.297) 5.255 8.566 ( -1.328 9.166 -0.754) 9.293 8.620 ( 5.877 9.883 -2.361) 11.738 9.082 ( -1.274 10.526 -7.076) 12.747 10.066 ( 13.708 -0.898 -2.471) 13.958 10.392 ( -1.078 -3.912 -8.607) 9.516 10.523 ( 12.445 -10.792 -7.950) 18.291 11.419 ( -3.583 -26.087 -10.201) 28.239 11.823 ( -1.351 -9.018 11.255) 14.485 11.919 ( 0.890 5.659 2.230) 6.147 11.962 ( -2.439 3.282 1.228) 4.269 12.105 ( -6.311 3.558 5.156) 8.892 12.522 ( 5.245 24.591 -15.245) 29.404 12.910 ( -2.588 10.938 -10.051) 15.078 13.277 ( 9.525 8.705 -9.372) 15.948 13.953 ( -6.842 -6.707 -8.266) 12.654 15.877 ( 9.809 -1.078 29.006) 30.639 16.903 ( -9.693 -7.410 6.306) 13.734 17.141 ( -7.476 -12.430 4.236) 15.111 17.343 ( -2.479 -11.061 -2.413) 11.590 28.178 ( 1.297 7.061 4.346) 8.392 28.336 ( -3.291 12.808 0.113) 13.224 28.840 ( 0.803 5.005 -2.923) 5.851 28.892 ( -0.572 5.080 -3.164) 6.012 31.541 ( 9.779 -0.554 -0.934) 9.839 31.832 ( -0.515 -1.635 -1.340) 2.176 32.631 ( 0.363 -2.221 0.398) 2.285 32.711 ( -1.144 -3.424 -1.526) 3.919 83.541 ( 0.102 -0.567 5.754) 5.783 83.710 ( -4.424 -4.149 9.556) 11.318 85.065 ( 16.813 -10.029 30.269) 36.048 86.807 ( -34.049 -53.180 29.588) 69.734 ======================= Grid point 157 (54/144) ======================= q-point: ( 0.40 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( 10.211 6.002 7.316) 13.922 1.429 ( -6.104 4.078 6.624) 9.888 1.638 ( 5.974 16.224 11.454) 20.739 1.883 ( -15.100 15.372 10.673) 24.046 2.516 ( 20.084 15.655 18.931) 31.730 2.806 ( 2.800 11.406 0.714) 11.766 2.912 ( -11.548 14.366 4.318) 18.931 2.954 ( -6.192 16.258 -2.037) 17.516 3.667 ( 7.601 4.176 3.957) 9.533 3.847 ( -10.044 2.346 3.469) 10.882 4.666 ( 10.028 -1.663 5.688) 11.647 4.818 ( -6.126 -1.808 5.654) 8.530 7.331 ( 6.620 -1.443 7.556) 10.149 7.455 ( -2.990 1.443 4.907) 5.925 7.490 ( -0.631 5.747 1.610) 6.002 7.541 ( -7.935 1.007 6.085) 10.050 8.432 ( 5.189 4.000 -0.405) 6.564 8.515 ( -3.586 6.609 -0.279) 7.524 8.776 ( 10.128 11.350 -2.606) 15.434 8.971 ( -9.465 9.995 -2.497) 13.990 10.246 ( 6.118 0.544 -10.315) 12.005 10.338 ( -3.983 -0.560 -10.393) 11.144 10.905 ( 23.185 -21.184 -12.041) 33.635 11.266 ( -13.785 -25.961 -12.619) 31.988 11.816 ( 1.067 -7.731 8.871) 11.816 11.871 ( -4.505 -3.318 5.187) 7.630 11.960 ( 1.832 6.427 3.353) 7.477 12.008 ( -3.538 7.301 4.674) 9.363 12.651 ( 8.015 24.130 -16.411) 30.262 12.804 ( -7.667 21.212 -16.955) 28.217 13.519 ( 14.417 -1.487 -5.444) 15.482 13.773 ( -11.982 -5.151 -6.789) 14.704 16.143 ( 18.211 -2.616 29.498) 34.766 16.540 ( -23.012 -5.698 26.353) 35.447 17.158 ( 5.108 -9.146 -5.474) 11.820 17.264 ( -5.453 -9.368 -4.853) 11.876 28.214 ( 2.474 8.072 3.819) 9.266 28.270 ( -3.402 10.035 2.598) 10.910 28.859 ( 1.047 5.086 -3.016) 6.005 28.878 ( -0.932 5.064 -3.087) 6.003 31.714 ( 7.366 -2.129 -4.517) 8.899 31.806 ( -2.711 -2.054 -3.312) 4.747 32.648 ( 1.436 -2.545 -0.134) 2.925 32.681 ( -1.883 -3.066 -0.996) 3.733 83.560 ( 2.162 -0.998 6.822) 7.226 83.623 ( -4.333 -2.119 7.752) 9.130 85.492 ( 28.066 -17.246 33.003) 46.630 86.106 ( -36.761 -30.808 35.088) 59.428 ======================= Grid point 160 (55/144) ======================= q-point: ( 0.00 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( 0.000 18.755 9.552) 21.047 1.517 ( 0.000 11.905 18.018) 21.596 2.062 ( 0.000 7.136 3.013) 7.746 2.573 ( 0.000 19.332 8.537) 21.133 2.701 ( 0.000 4.909 -4.209) 6.466 2.732 ( 0.000 32.070 16.640) 36.130 3.311 ( 0.000 17.181 -0.356) 17.184 3.611 ( 0.000 27.252 -5.547) 27.811 3.979 ( 0.000 -1.853 1.044) 2.127 3.999 ( 0.000 15.788 -2.212) 15.942 4.396 ( 0.000 7.176 11.703) 13.728 4.878 ( 0.000 -2.791 7.296) 7.811 7.223 ( 0.000 0.234 5.352) 5.357 7.456 ( 0.000 -3.371 0.275) 3.382 7.517 ( 0.000 -3.084 10.777) 11.210 7.974 ( 0.000 -0.414 1.417) 1.477 8.614 ( 0.000 17.751 -8.973) 19.890 8.668 ( 0.000 8.389 -1.971) 8.618 8.830 ( 0.000 11.623 -0.741) 11.647 9.279 ( 0.000 7.002 -9.549) 11.841 9.856 ( 0.000 -0.378 7.743) 7.752 10.232 ( 0.000 -2.835 -9.938) 10.335 10.442 ( 0.000 -0.492 -7.557) 7.573 10.925 ( 0.000 -24.353 -3.810) 24.649 11.735 ( 0.000 -1.957 15.439) 15.563 12.078 ( 0.000 10.713 -1.728) 10.851 12.170 ( 0.000 11.484 -0.046) 11.484 12.192 ( 0.000 0.487 3.216) 3.253 12.895 ( 0.000 -1.319 3.668) 3.898 12.958 ( 0.000 21.530 -23.080) 31.563 13.512 ( 0.000 10.096 -20.910) 23.220 13.811 ( 0.000 -12.679 -7.366) 14.663 15.764 ( 0.000 -1.334 23.911) 23.948 16.747 ( 0.000 -12.079 -5.163) 13.136 16.868 ( 0.000 -22.504 13.428) 26.205 17.086 ( 0.000 -13.847 1.037) 13.886 28.358 ( 0.000 11.536 3.852) 12.163 28.678 ( 0.000 14.245 -5.257) 15.184 28.972 ( 0.000 8.470 -2.160) 8.741 29.045 ( 0.000 8.802 -2.807) 9.238 31.466 ( 0.000 2.397 3.122) 3.936 31.799 ( 0.000 -1.920 -0.317) 1.946 32.565 ( 0.000 -3.977 0.092) 3.978 32.620 ( 0.000 -6.117 -1.181) 6.230 83.530 ( 0.000 -0.817 4.115) 4.195 83.625 ( 0.000 -6.646 9.466) 11.566 84.697 ( 0.000 -11.671 25.486) 28.031 85.850 ( 0.000 -54.826 38.897) 67.223 ======================= Grid point 161 (56/144) ======================= q-point: ( 0.20 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( 0.338 16.889 8.483) 18.903 1.583 ( 5.279 11.747 14.739) 19.572 1.958 ( -8.248 8.894 5.257) 13.220 2.420 ( -12.080 11.083 9.204) 18.801 2.790 ( 9.505 35.235 13.802) 39.018 2.875 ( 10.093 8.149 -1.631) 13.074 3.316 ( -0.497 16.365 -2.179) 16.517 3.579 ( -4.965 27.954 -4.347) 28.723 3.825 ( -5.407 9.929 3.256) 11.766 4.064 ( -1.538 7.859 3.136) 8.600 4.475 ( 7.845 4.075 6.779) 11.140 4.853 ( -2.732 -2.600 6.461) 7.481 7.235 ( 1.584 -0.441 5.703) 5.935 7.459 ( -1.233 -4.804 5.299) 7.258 7.511 ( 0.768 -0.868 5.714) 5.830 7.872 ( -10.145 4.552 2.368) 11.369 8.468 ( -1.688 8.385 -2.530) 8.919 8.779 ( -4.720 10.039 0.199) 11.095 8.888 ( 10.862 15.392 -4.879) 19.460 9.311 ( 0.085 10.201 -7.372) 12.586 10.002 ( 14.713 -6.261 0.377) 15.995 10.249 ( 1.779 -3.528 -9.787) 10.554 10.436 ( -0.141 -0.793 -8.446) 8.484 10.886 ( -4.482 -24.273 -4.461) 25.083 11.721 ( -0.810 -1.767 13.799) 13.936 12.022 ( -9.167 3.103 2.866) 10.093 12.109 ( 1.619 10.864 0.450) 10.993 12.229 ( -0.016 9.239 2.425) 9.552 12.951 ( 5.193 7.672 -9.502) 13.271 13.031 ( 6.644 11.916 -14.571) 19.962 13.489 ( -1.848 8.597 -18.901) 20.846 13.759 ( -5.310 -11.721 -7.000) 14.649 15.844 ( 8.376 -2.118 24.039) 25.544 16.678 ( -11.669 -14.138 13.004) 22.475 16.829 ( 1.620 -16.028 -1.085) 16.146 17.074 ( -1.943 -14.860 -0.655) 15.001 28.377 ( 1.992 11.805 3.582) 12.496 28.625 ( -4.960 14.197 -2.951) 15.325 28.983 ( 0.969 8.548 -2.388) 8.928 29.038 ( -0.674 8.727 -2.695) 9.159 31.540 ( 6.755 0.639 0.832) 6.836 31.792 ( -0.864 -2.055 -0.781) 2.362 32.565 ( 0.136 -4.089 0.068) 4.092 32.613 ( -0.785 -5.907 -1.043) 6.050 83.525 ( -0.208 -1.027 5.080) 5.187 83.609 ( -1.620 -5.059 7.856) 9.483 84.799 ( 10.364 -14.871 26.533) 32.133 85.713 ( -13.554 -47.929 37.614) 62.416 ======================= Grid point 162 (57/144) ======================= q-point: ( 0.40 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( 5.569 13.672 5.187) 15.648 1.579 ( -7.292 10.365 3.576) 13.168 1.938 ( 8.561 12.235 15.764) 21.714 2.169 ( -13.938 11.420 13.951) 22.788 3.003 ( 10.851 27.479 7.796) 30.555 3.052 ( 7.117 11.084 -1.136) 13.221 3.278 ( -1.796 17.585 -3.075) 17.942 3.397 ( -12.054 26.680 0.662) 29.284 3.844 ( 5.600 13.439 5.167) 15.448 3.972 ( -6.913 11.261 5.582) 14.344 4.639 ( 8.512 0.042 3.765) 9.308 4.774 ( -5.709 -1.880 4.676) 7.615 7.291 ( 4.425 -2.241 6.935) 8.526 7.389 ( -5.291 -4.807 8.337) 10.982 7.564 ( 4.352 2.840 2.472) 5.754 7.680 ( -8.501 6.586 2.850) 11.125 8.534 ( 6.700 5.709 0.476) 8.815 8.668 ( -6.839 7.481 1.101) 10.196 9.074 ( 9.399 16.227 -4.182) 19.213 9.236 ( -7.288 14.444 -4.210) 16.717 10.251 ( 6.505 -2.843 -10.433) 12.619 10.287 ( 1.267 -5.402 -9.313) 10.841 10.509 ( 10.830 -11.730 -7.285) 17.549 10.744 ( -10.844 -22.349 -5.910) 25.534 11.735 ( 3.029 -1.054 10.962) 11.422 11.846 ( -8.430 0.455 7.464) 11.269 12.154 ( 2.697 11.547 1.671) 11.975 12.203 ( -2.329 11.311 2.522) 11.821 13.061 ( 5.745 12.985 -17.996) 22.923 13.123 ( 0.786 10.382 -16.534) 19.539 13.495 ( 4.116 0.041 -10.993) 11.738 13.627 ( -8.150 -8.418 -6.809) 13.552 16.067 ( 14.934 -4.647 23.876) 28.543 16.381 ( -17.607 -9.314 21.736) 29.482 16.908 ( 5.431 -14.518 -4.355) 16.101 17.008 ( -4.824 -14.859 -2.963) 15.901 28.433 ( 3.925 12.569 2.622) 13.426 28.522 ( -5.454 13.575 0.518) 14.639 29.003 ( 1.063 8.607 -2.535) 9.035 29.022 ( -0.946 8.635 -2.590) 9.064 31.671 ( 6.266 -1.634 -1.754) 6.709 31.758 ( -3.001 -2.243 -1.760) 4.139 32.574 ( 0.779 -4.552 -0.166) 4.622 32.593 ( -1.182 -5.302 -0.645) 5.470 83.534 ( 1.291 -1.481 5.792) 6.116 83.570 ( -2.300 -2.753 6.208) 7.170 85.060 ( 16.669 -22.854 29.555) 40.911 85.398 ( -18.499 -34.473 33.909) 51.772 ======================= Grid point 165 (58/144) ======================= q-point: ( 0.00 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( 0.000 12.195 10.400) 16.027 1.801 ( 0.000 20.444 5.452) 21.158 2.230 ( 0.000 9.371 2.514) 9.702 2.757 ( 0.000 1.381 -5.491) 5.662 2.786 ( 0.000 5.625 8.785) 10.432 3.498 ( 0.000 35.902 8.547) 36.905 3.569 ( 0.000 6.147 1.969) 6.454 3.868 ( 0.000 -4.137 5.263) 6.695 4.264 ( 0.000 30.149 -5.799) 30.701 4.382 ( 0.000 18.454 -1.963) 18.558 4.676 ( 0.000 19.751 3.008) 19.978 4.850 ( 0.000 2.507 5.519) 6.062 7.185 ( 0.000 -4.328 5.460) 6.968 7.392 ( 0.000 -2.728 0.711) 2.819 7.498 ( 0.000 3.064 7.290) 7.908 7.932 ( 0.000 -3.450 4.000) 5.282 8.848 ( 0.000 8.717 -3.650) 9.451 8.862 ( 0.000 4.130 -9.368) 10.238 9.038 ( 0.000 8.312 0.926) 8.363 9.404 ( 0.000 8.037 -2.450) 8.402 9.894 ( 0.000 3.791 1.815) 4.203 10.224 ( 0.000 -1.590 -12.097) 12.201 10.425 ( 0.000 -1.548 -5.508) 5.722 10.493 ( 0.000 -15.502 -0.310) 15.505 11.722 ( 0.000 0.230 15.862) 15.863 12.211 ( 0.000 1.514 3.606) 3.911 12.338 ( 0.000 14.360 -4.139) 14.945 12.435 ( 0.000 13.393 0.597) 13.406 12.862 ( 0.000 -1.430 5.168) 5.362 13.332 ( 0.000 14.563 -22.281) 26.619 13.515 ( 0.000 -15.618 -5.401) 16.525 13.628 ( 0.000 2.135 -19.239) 19.357 15.729 ( 0.000 -1.994 17.604) 17.716 16.449 ( 0.000 -17.961 12.336) 21.789 16.467 ( 0.000 -14.575 -4.006) 15.115 16.767 ( 0.000 -16.718 1.041) 16.750 28.622 ( 0.000 13.721 3.084) 14.063 28.948 ( 0.000 12.107 -4.162) 12.803 29.165 ( 0.000 9.884 -1.196) 9.956 29.239 ( 0.000 9.647 -1.849) 9.822 31.528 ( 0.000 3.601 2.280) 4.262 31.765 ( 0.000 -1.200 -0.245) 1.225 32.469 ( 0.000 -5.243 -0.385) 5.257 32.479 ( 0.000 -7.426 -0.740) 7.463 83.511 ( 0.000 -1.136 3.195) 3.391 83.511 ( 0.000 -4.024 6.574) 7.708 84.443 ( 0.000 -12.595 20.012) 23.645 84.944 ( 0.000 -34.744 30.308) 46.105 ======================= Grid point 166 (59/144) ======================= q-point: ( 0.20 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( -0.909 16.118 5.714) 17.125 1.852 ( 3.280 15.465 7.074) 17.319 2.159 ( -5.134 10.761 4.982) 12.922 2.581 ( -10.941 5.291 7.555) 14.310 2.964 ( 10.763 2.319 -2.069) 11.202 3.477 ( -3.763 15.327 1.321) 15.838 3.611 ( 5.577 23.358 4.831) 24.495 3.921 ( 4.807 -0.680 8.207) 9.536 4.203 ( -5.337 31.455 -5.147) 32.317 4.363 ( -2.562 16.678 2.076) 17.001 4.699 ( 2.289 17.963 0.712) 18.122 4.839 ( -1.157 4.111 3.671) 5.631 7.195 ( 1.279 -3.881 5.424) 6.791 7.382 ( -2.234 -1.544 3.918) 4.767 7.504 ( 2.256 0.525 4.297) 4.881 7.905 ( -4.219 -0.661 3.449) 5.489 8.627 ( -5.671 6.316 -2.705) 8.909 8.959 ( -6.154 7.702 1.378) 9.954 9.163 ( 13.735 8.776 -7.988) 18.152 9.481 ( 5.744 7.580 -4.027) 10.328 9.912 ( 2.774 -0.349 2.005) 3.441 10.225 ( -0.355 -3.798 -10.907) 11.555 10.420 ( -0.270 -1.271 -6.672) 6.797 10.479 ( -1.347 -12.509 -1.738) 12.701 11.715 ( -0.211 0.666 14.552) 14.569 12.076 ( -10.800 2.483 5.124) 12.209 12.372 ( 2.547 14.483 -2.124) 14.858 12.470 ( 1.508 13.180 0.418) 13.272 12.930 ( 6.814 -3.292 2.840) 8.083 13.338 ( -0.387 10.106 -19.403) 21.881 13.482 ( -2.382 -11.170 -7.768) 13.813 13.609 ( -2.070 1.858 -18.832) 19.037 15.792 ( 6.512 -2.840 17.448) 18.839 16.367 ( -7.772 -14.900 13.120) 21.320 16.506 ( 3.387 -15.487 -3.419) 16.217 16.744 ( -2.445 -16.889 0.222) 17.067 28.644 ( 2.335 13.774 2.786) 14.245 28.902 ( -4.416 12.700 -2.692) 13.712 29.176 ( 0.955 9.786 -1.474) 9.943 29.232 ( -0.753 9.653 -1.773) 9.843 31.571 ( 4.081 2.386 1.267) 4.894 31.757 ( -0.946 -1.169 -0.436) 1.566 32.467 ( -0.185 -5.465 -0.389) 5.482 32.477 ( -0.264 -7.096 -0.638) 7.130 83.497 ( -0.245 -1.832 5.052) 5.380 83.526 ( 0.365 -2.553 4.181) 4.913 84.488 ( 4.700 -14.817 20.875) 26.027 84.893 ( -5.224 -32.425 29.081) 43.868 ======================= Grid point 167 (60/144) ======================= q-point: ( 0.40 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( 2.763 16.251 2.734) 16.710 1.838 ( -4.880 14.559 1.409) 15.419 2.170 ( 7.320 10.983 12.796) 18.383 2.363 ( -11.778 8.104 11.998) 18.664 3.169 ( 10.733 2.147 -3.455) 11.478 3.355 ( -8.707 4.453 -3.027) 10.237 3.766 ( 9.955 28.103 4.402) 30.137 3.939 ( -6.213 17.486 4.788) 19.165 4.164 ( 4.162 20.313 3.323) 21.000 4.279 ( -6.066 15.030 5.948) 17.265 4.753 ( 3.135 13.251 -1.159) 13.666 4.806 ( -2.373 8.129 0.323) 8.474 7.237 ( 3.194 -3.144 5.694) 7.246 7.311 ( -4.425 -2.210 5.946) 7.734 7.599 ( 7.436 0.618 2.425) 7.846 7.764 ( -9.411 1.857 2.531) 9.921 8.655 ( 6.760 5.775 0.524) 8.906 8.813 ( -8.859 6.692 1.416) 11.192 9.380 ( 9.480 11.776 -6.376) 16.407 9.511 ( -3.564 11.253 -5.439) 12.996 10.029 ( 8.859 -10.044 -0.638) 13.408 10.177 ( -5.533 -10.118 -5.770) 12.895 10.426 ( 1.108 -0.897 -8.399) 8.519 10.452 ( -1.431 -4.725 -6.162) 7.896 11.744 ( 3.971 1.438 11.832) 12.563 11.874 ( -9.606 2.099 8.533) 13.019 12.423 ( 2.759 14.498 -0.171) 14.759 12.467 ( -1.578 14.048 0.672) 14.152 13.091 ( 9.545 -5.455 -1.847) 11.147 13.260 ( -7.660 -3.797 -7.796) 11.570 13.488 ( 2.872 1.642 -16.814) 17.136 13.554 ( -3.562 2.523 -18.539) 19.046 15.961 ( 10.897 -5.499 16.836) 20.794 16.178 ( -11.568 -9.938 15.450) 21.709 16.587 ( 4.906 -16.136 -2.886) 17.110 16.678 ( -4.422 -16.761 -1.419) 17.393 28.708 ( 4.395 13.818 1.784) 14.610 28.804 ( -5.541 13.529 -0.129) 14.620 29.195 ( 1.059 9.683 -1.680) 9.885 29.215 ( -0.994 9.652 -1.716) 9.854 31.657 ( 4.475 0.317 -0.245) 4.493 31.725 ( -2.627 -0.852 -0.702) 2.850 32.465 ( 0.083 -5.894 -0.388) 5.908 32.470 ( -0.367 -6.491 -0.474) 6.519 83.503 ( 0.846 -1.378 4.496) 4.778 83.521 ( -0.804 -1.790 3.970) 4.429 84.609 ( 7.794 -20.277 23.116) 31.722 84.763 ( -8.079 -26.814 26.181) 38.336 ======================= Grid point 170 (61/144) ======================= q-point: ( 0.00 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.014 ( 0.000 12.208 2.867) 12.540 2.219 ( 0.000 19.958 3.157) 20.207 2.442 ( 0.000 11.011 1.777) 11.154 2.775 ( 0.000 0.623 -6.471) 6.501 2.858 ( 0.000 2.143 6.073) 6.440 3.587 ( 0.000 -3.252 -2.073) 3.856 3.741 ( 0.000 -7.663 9.780) 12.424 4.033 ( 0.000 11.183 3.595) 11.747 4.680 ( 0.000 16.004 4.524) 16.632 4.870 ( 0.000 27.377 -5.500) 27.924 5.104 ( 0.000 19.765 -2.205) 19.888 5.129 ( 0.000 22.214 -2.098) 22.313 7.085 ( 0.000 -4.297 5.633) 7.085 7.344 ( 0.000 -2.062 0.692) 2.175 7.631 ( 0.000 8.884 -0.389) 8.893 7.851 ( 0.000 -3.910 5.306) 6.591 8.831 ( 0.000 -4.460 -5.093) 6.770 9.009 ( 0.000 6.525 -6.718) 9.366 9.188 ( 0.000 6.940 0.303) 6.946 9.614 ( 0.000 10.591 -1.575) 10.708 9.978 ( 0.000 3.529 -1.526) 3.845 10.029 ( 0.000 -13.051 -2.424) 13.274 10.370 ( 0.000 -3.834 -2.944) 4.834 10.373 ( 0.000 -0.947 -6.838) 6.903 11.734 ( 0.000 0.970 14.952) 14.984 12.256 ( 0.000 2.800 5.100) 5.818 12.598 ( 0.000 5.312 -0.084) 5.312 12.694 ( 0.000 14.245 -0.157) 14.245 12.879 ( 0.000 3.549 3.491) 4.978 13.202 ( 0.000 -12.816 -3.625) 13.318 13.537 ( 0.000 4.355 -16.562) 17.125 13.654 ( 0.000 2.307 -16.364) 16.526 15.684 ( 0.000 -2.313 11.308) 11.542 16.134 ( 0.000 -12.701 9.104) 15.627 16.170 ( 0.000 -13.812 -2.800) 14.093 16.421 ( 0.000 -16.420 1.114) 16.457 28.907 ( 0.000 13.661 2.361) 13.863 29.180 ( 0.000 10.509 -2.591) 10.823 29.362 ( 0.000 8.950 -0.186) 8.952 29.423 ( 0.000 7.828 -0.645) 7.854 31.614 ( 0.000 4.697 1.266) 4.864 31.754 ( 0.000 0.245 -0.415) 0.481 32.323 ( 0.000 -7.629 -0.513) 7.646 32.353 ( 0.000 -5.950 -0.821) 6.006 83.457 ( 0.000 -1.171 3.969) 4.138 83.490 ( 0.000 -0.920 1.963) 2.168 84.196 ( 0.000 -11.199 14.245) 18.120 84.368 ( 0.000 -22.255 19.111) 29.335 ======================= Grid point 171 (62/144) ======================= q-point: ( 0.20 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( 1.735 13.049 1.761) 13.281 2.218 ( -0.402 18.998 2.972) 19.233 2.396 ( -3.399 12.017 2.858) 12.811 2.666 ( -7.510 3.403 3.490) 8.953 2.985 ( 9.181 0.098 -2.261) 9.456 3.520 ( -6.629 -2.883 -3.057) 7.849 3.818 ( 7.369 -7.421 10.161) 14.581 4.063 ( 2.317 7.184 4.138) 8.609 4.665 ( -1.224 18.573 4.456) 19.139 4.825 ( -4.337 28.138 -5.147) 28.932 5.106 ( 0.603 19.990 -0.728) 20.013 5.142 ( 0.737 21.523 -4.320) 21.965 7.107 ( 2.447 -3.704 5.355) 6.955 7.373 ( 1.342 -0.277 0.711) 1.544 7.538 ( -5.012 2.546 2.104) 6.002 7.882 ( -0.708 -0.781 2.533) 2.743 8.714 ( -3.405 2.388 -3.340) 5.334 9.112 ( -6.231 7.427 -0.406) 9.704 9.230 ( 14.085 0.187 -7.615) 16.013 9.675 ( 4.840 10.243 -1.996) 11.503 9.914 ( -4.091 -4.627 -1.769) 6.425 10.060 ( 0.743 -4.491 -0.496) 4.579 10.371 ( 0.703 -3.633 -4.326) 5.693 10.392 ( 1.413 -0.908 -6.764) 6.970 11.737 ( 0.712 1.473 14.124) 14.219 12.133 ( -10.608 3.135 6.646) 12.905 12.666 ( 4.850 7.837 -2.134) 9.460 12.712 ( 1.703 11.862 1.190) 12.043 12.887 ( 1.253 1.403 3.514) 3.986 13.161 ( -4.143 -12.136 -2.958) 13.160 13.547 ( 0.999 3.880 -16.634) 17.110 13.640 ( -1.404 2.382 -16.435) 16.666 15.731 ( 4.787 -3.003 11.093) 12.449 16.094 ( -4.084 -11.391 9.214) 15.210 16.198 ( 2.720 -14.131 -2.382) 14.586 16.399 ( -2.274 -16.188 0.736) 16.364 28.928 ( 2.229 13.544 2.126) 13.890 29.147 ( -3.265 11.139 -1.682) 11.729 29.370 ( 0.673 8.709 -0.451) 8.747 29.416 ( -0.652 7.927 -0.653) 7.980 31.636 ( 2.192 3.915 0.823) 4.562 31.749 ( -0.677 0.417 -0.451) 0.914 32.324 ( 0.166 -7.427 -0.521) 7.447 32.349 ( -0.436 -6.076 -0.760) 6.139 83.465 ( 0.819 -0.774 3.613) 3.785 83.496 ( 0.399 -0.876 1.977) 2.199 84.206 ( 1.134 -12.465 14.760) 19.352 84.347 ( -2.155 -21.405 18.608) 28.444 ======================= Grid point 172 (63/144) ======================= q-point: ( 0.40 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.081 ( 3.699 15.416 0.312) 15.857 2.168 ( -4.867 17.119 0.249) 17.799 2.399 ( 4.326 11.288 7.324) 14.134 2.520 ( -7.666 7.403 7.156) 12.836 3.171 ( 10.354 -1.379 -3.931) 11.160 3.362 ( -9.675 -2.231 -3.799) 10.631 3.972 ( 7.891 -6.546 9.164) 13.751 4.074 ( -2.226 -1.537 6.528) 7.067 4.661 ( 1.597 25.298 1.963) 25.424 4.730 ( -5.133 28.712 -2.411) 29.267 5.126 ( 1.265 20.192 -2.359) 20.368 5.144 ( -0.530 20.741 -4.418) 21.213 7.179 ( 5.214 -1.967 4.581) 7.215 7.298 ( -7.042 0.723 3.143) 7.746 7.591 ( 8.550 -1.486 1.354) 8.783 7.774 ( -9.476 -0.609 1.029) 9.551 8.771 ( 8.066 5.750 -1.558) 10.028 8.951 ( -9.904 7.024 -0.927) 12.177 9.486 ( 12.287 -0.848 -8.082) 14.731 9.673 ( -6.674 2.865 -6.834) 9.973 9.919 ( 5.388 -1.359 2.093) 5.938 10.026 ( -4.395 -0.956 1.634) 4.786 10.397 ( 1.643 -2.652 -6.120) 6.869 10.412 ( 0.308 -1.368 -7.046) 7.184 11.784 ( 4.827 2.399 12.061) 13.211 11.927 ( -10.102 3.020 9.356) 14.096 12.728 ( 1.819 13.292 -1.528) 13.503 12.741 ( 0.610 9.923 0.787) 9.973 12.946 ( 5.113 -5.754 1.874) 7.923 13.059 ( -6.277 -10.177 -1.047) 12.003 13.573 ( 1.677 3.092 -16.683) 17.050 13.607 ( -1.935 2.611 -16.585) 16.901 15.850 ( 7.359 -5.104 10.535) 13.827 15.988 ( -6.895 -8.308 9.840) 14.608 16.264 ( 4.044 -14.838 -1.529) 15.455 16.340 ( -3.806 -15.607 -0.291) 16.067 28.988 ( 3.980 13.126 1.362) 13.784 29.070 ( -4.580 12.280 -0.001) 13.106 29.384 ( 0.869 8.363 -0.697) 8.437 29.401 ( -0.878 8.121 -0.704) 8.199 31.684 ( 2.643 2.327 0.029) 3.522 31.727 ( -1.724 1.052 -0.407) 2.060 32.329 ( 0.404 -6.945 -0.554) 6.978 32.339 ( -0.574 -6.433 -0.639) 6.490 83.484 ( 1.051 -0.344 2.854) 3.061 83.498 ( -0.309 -0.522 2.201) 2.283 84.240 ( 2.496 -15.603 15.980) 22.473 84.295 ( -3.117 -19.009 17.392) 25.952 ======================= Grid point 175 (64/144) ======================= q-point: ( 0.00 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.264 ( 0.000 12.080 -1.969) 12.240 2.602 ( 0.000 15.615 1.286) 15.668 2.660 ( 0.000 9.285 0.973) 9.336 2.798 ( 0.000 3.178 -6.312) 7.066 2.906 ( 0.000 3.479 1.762) 3.900 3.455 ( 0.000 -9.517 -6.452) 11.497 3.574 ( 0.000 -8.081 10.409) 13.178 3.997 ( 0.000 -9.669 3.411) 10.252 5.105 ( 0.000 21.410 1.988) 21.502 5.352 ( 0.000 18.938 -4.108) 19.379 5.503 ( 0.000 17.223 -4.423) 17.782 5.533 ( 0.000 16.393 -4.768) 17.072 7.033 ( 0.000 -0.521 3.182) 3.224 7.298 ( 0.000 -2.706 0.253) 2.717 7.796 ( 0.000 -0.932 5.094) 5.179 7.820 ( 0.000 8.311 -4.506) 9.454 8.757 ( 0.000 -1.367 -3.712) 3.956 9.107 ( 0.000 2.863 -10.105) 10.503 9.333 ( 0.000 6.977 -2.747) 7.498 9.743 ( 0.000 -3.361 2.935) 4.462 9.860 ( 0.000 2.055 -5.285) 5.670 10.024 ( 0.000 1.100 -1.601) 1.943 10.269 ( 0.000 -5.772 -0.574) 5.801 10.333 ( 0.000 -3.340 -5.744) 6.645 11.773 ( 0.000 3.186 12.596) 12.993 12.320 ( 0.000 3.324 7.069) 7.811 12.581 ( 0.000 -4.272 5.862) 7.253 12.736 ( 0.000 -13.374 2.180) 13.550 13.037 ( 0.000 14.198 -2.741) 14.461 13.196 ( 0.000 9.834 -1.449) 9.940 13.542 ( 0.000 -1.667 -12.236) 12.349 13.717 ( 0.000 1.999 -10.682) 10.868 15.641 ( 0.000 -1.627 6.233) 6.441 15.916 ( 0.000 -10.660 -1.703) 10.795 15.923 ( 0.000 -8.031 6.558) 10.369 16.112 ( 0.000 -13.207 1.465) 13.288 29.171 ( 0.000 11.818 1.726) 11.944 29.375 ( 0.000 8.256 -1.394) 8.373 29.520 ( 0.000 6.206 0.604) 6.236 29.551 ( 0.000 4.456 0.406) 4.474 31.719 ( 0.000 5.514 0.255) 5.520 31.776 ( 0.000 1.883 -0.687) 2.005 32.171 ( 0.000 -7.061 -0.483) 7.077 32.228 ( 0.000 -6.225 -1.086) 6.319 83.456 ( 0.000 0.841 2.367) 2.512 83.475 ( 0.000 -0.451 1.238) 1.318 83.989 ( 0.000 -8.793 9.099) 12.654 84.004 ( 0.000 -13.595 10.489) 17.171 ======================= Grid point 176 (65/144) ======================= q-point: ( 0.20 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.296 ( 3.414 12.761 -1.962) 13.355 2.598 ( -0.766 16.554 1.825) 16.672 2.637 ( -2.433 10.877 0.377) 11.152 2.738 ( -4.054 4.798 -1.017) 6.363 2.982 ( 6.343 0.126 -2.753) 6.916 3.417 ( -4.769 -6.901 -5.205) 9.872 3.625 ( 5.929 -10.641 8.873) 15.071 3.980 ( -2.110 -10.660 4.185) 11.645 5.121 ( 1.826 21.924 1.137) 22.029 5.330 ( -2.603 20.345 -4.755) 21.054 5.491 ( -0.236 16.044 -2.785) 16.286 5.542 ( 0.159 16.310 -5.471) 17.204 7.066 ( 3.601 -0.075 3.108) 4.757 7.351 ( 5.177 -2.167 -0.012) 5.612 7.594 ( -11.842 2.990 1.889) 12.358 7.885 ( -2.406 0.480 -0.849) 2.596 8.763 ( 3.330 3.540 -4.471) 6.604 9.230 ( 10.444 -0.083 -9.171) 13.899 9.268 ( -6.510 7.453 -3.545) 10.511 9.746 ( -3.491 -7.896 -1.669) 8.793 9.858 ( 3.799 7.129 -1.344) 8.189 10.063 ( 2.383 1.224 -0.137) 2.682 10.274 ( 1.129 -5.606 -1.773) 5.987 10.350 ( 1.251 -3.418 -5.364) 6.482 11.785 ( 1.547 3.503 12.297) 12.879 12.205 ( -10.174 3.858 8.127) 13.581 12.620 ( 2.804 -6.601 5.146) 8.827 12.726 ( -1.034 -13.152 2.458) 13.420 13.049 ( 1.251 13.958 -2.470) 14.230 13.175 ( -2.077 10.496 -1.471) 10.800 13.556 ( 1.470 -1.250 -12.114) 12.267 13.697 ( -1.984 1.682 -10.835) 11.143 15.676 ( 3.455 -2.166 6.164) 7.391 15.900 ( -2.054 -7.614 5.843) 9.814 15.941 ( 2.143 -10.589 -0.814) 10.835 16.097 ( -1.604 -12.812 1.265) 12.974 29.189 ( 1.870 11.629 1.599) 11.886 29.355 ( -2.090 8.886 -0.797) 9.163 29.521 ( 0.115 5.765 0.365) 5.778 29.547 ( -0.397 4.646 0.325) 4.675 31.729 ( 0.935 5.022 0.079) 5.109 31.775 ( -0.211 2.109 -0.664) 2.221 32.175 ( 0.476 -6.968 -0.540) 7.005 32.221 ( -0.645 -6.289 -1.028) 6.405 83.468 ( 1.204 0.957 2.176) 2.665 83.486 ( 0.925 -0.023 1.160) 1.484 83.979 ( -0.920 -9.750 9.512) 13.652 83.993 ( -1.073 -13.232 10.248) 16.771 ======================= Grid point 177 (66/144) ======================= q-point: ( 0.40 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.389 ( 6.324 14.526 -1.748) 15.939 2.517 ( -6.719 16.167 -1.126) 17.544 2.631 ( 1.521 11.303 2.961) 11.783 2.674 ( -2.880 7.844 2.196) 8.640 3.125 ( 8.545 -2.889 -4.355) 10.017 3.288 ( -8.325 -4.722 -4.358) 10.516 3.769 ( 8.299 -12.269 7.036) 16.398 3.907 ( -5.836 -12.099 5.709) 14.596 5.176 ( 3.882 22.516 -1.077) 22.873 5.258 ( -4.565 22.053 -3.618) 22.809 5.504 ( 1.386 15.340 -3.265) 15.745 5.531 ( -1.194 15.699 -4.848) 16.474 7.170 ( 7.452 1.239 2.806) 8.059 7.338 ( -9.584 3.153 1.838) 10.255 7.538 ( 9.065 -3.589 0.360) 9.757 7.742 ( -10.929 -2.594 -0.645) 11.251 8.903 ( 10.387 7.391 -4.808) 13.625 9.106 ( -10.294 7.980 -4.532) 13.791 9.436 ( 10.805 -2.832 -8.119) 13.809 9.621 ( -8.625 -4.787 -6.449) 11.785 9.974 ( 6.475 4.229 2.037) 7.997 10.064 ( -2.631 2.484 1.773) 4.030 10.319 ( 3.050 -4.817 -3.675) 6.783 10.359 ( -0.748 -3.852 -4.817) 6.212 11.848 ( 5.640 4.108 11.385) 13.353 12.001 ( -10.333 4.328 9.872) 14.932 12.665 ( 2.008 -10.451 4.152) 11.424 12.700 ( -1.700 -12.512 3.201) 13.027 13.081 ( 2.156 13.270 -1.982) 13.589 13.128 ( -2.699 11.983 -1.621) 12.390 13.596 ( 2.615 -0.257 -11.733) 12.024 13.649 ( -2.916 0.842 -11.233) 11.636 15.758 ( 4.826 -3.687 6.039) 8.564 15.843 ( -3.948 -5.751 6.024) 9.217 15.994 ( 3.234 -11.214 -0.363) 11.677 16.053 ( -2.926 -11.980 0.603) 12.347 29.238 ( 3.185 11.045 1.161) 11.554 29.302 ( -3.359 10.068 0.319) 10.618 29.526 ( 0.462 5.198 0.099) 5.219 29.537 ( -0.594 4.915 0.151) 4.953 31.749 ( 1.122 3.903 -0.278) 4.070 31.767 ( -0.676 2.804 -0.551) 2.937 32.188 ( 0.854 -6.735 -0.690) 6.824 32.206 ( -0.960 -6.475 -0.877) 6.604 83.492 ( 1.086 1.161 1.652) 2.292 83.500 ( 0.323 0.831 1.186) 1.484 83.965 ( -0.358 -11.489 10.015) 15.245 83.971 ( -0.967 -12.630 10.087) 16.192 ======================= Grid point 180 (67/144) ======================= q-point: ( 0.00 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.506 ( 0.000 10.988 -3.987) 11.689 2.721 ( 0.000 -0.412 -5.034) 5.051 2.802 ( 0.000 5.448 -1.336) 5.609 3.030 ( 0.000 8.219 -0.988) 8.278 3.036 ( 0.000 15.580 -0.505) 15.589 3.220 ( 0.000 -12.164 -5.546) 13.368 3.413 ( 0.000 -7.495 5.597) 9.354 3.739 ( 0.000 -14.500 3.114) 14.831 5.474 ( 0.000 13.836 -0.650) 13.851 5.627 ( 0.000 7.476 -2.627) 7.924 5.778 ( 0.000 9.223 -5.145) 10.561 5.789 ( 0.000 8.424 -6.127) 10.417 7.060 ( 0.000 2.931 0.675) 3.008 7.228 ( 0.000 -4.072 -0.361) 4.088 7.818 ( 0.000 2.775 3.394) 4.384 7.923 ( 0.000 1.144 -3.145) 3.346 8.812 ( 0.000 6.730 -7.116) 9.794 9.111 ( 0.000 -2.944 -12.446) 12.790 9.465 ( 0.000 5.621 -5.172) 7.638 9.634 ( 0.000 -4.399 -0.735) 4.460 9.950 ( 0.000 3.758 -2.692) 4.622 10.038 ( 0.000 0.389 -1.002) 1.074 10.154 ( 0.000 -4.354 1.221) 4.522 10.243 ( 0.000 -5.050 -3.108) 5.929 11.883 ( 0.000 7.801 9.833) 12.551 12.382 ( 0.000 -14.552 4.378) 15.196 12.388 ( 0.000 3.282 8.317) 8.941 12.537 ( 0.000 -4.795 7.667) 9.043 13.277 ( 0.000 8.953 -4.177) 9.880 13.428 ( 0.000 11.178 -0.720) 11.202 13.497 ( 0.000 -2.800 -8.737) 9.175 13.714 ( 0.000 -2.365 -5.408) 5.903 15.625 ( 0.000 0.107 2.797) 2.799 15.739 ( 0.000 -6.467 -0.665) 6.501 15.802 ( 0.000 -3.546 4.824) 5.988 15.892 ( 0.000 -8.014 2.234) 8.319 29.383 ( 0.000 8.522 1.117) 8.595 29.507 ( 0.000 4.070 -0.717) 4.133 29.606 ( 0.000 1.265 1.311) 1.822 29.611 ( 0.000 2.551 1.053) 2.760 31.831 ( 0.000 3.376 -0.902) 3.494 31.837 ( 0.000 5.833 -0.627) 5.867 32.036 ( 0.000 -5.897 -0.508) 5.919 32.099 ( 0.000 -6.217 -1.083) 6.311 83.474 ( 0.000 0.357 1.252) 1.302 83.479 ( 0.000 1.076 2.156) 2.410 83.802 ( 0.000 -6.020 4.829) 7.717 83.837 ( 0.000 -5.899 5.115) 7.808 ======================= Grid point 181 (68/144) ======================= q-point: ( 0.20 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.550 ( 4.614 11.480 -3.929) 12.982 2.753 ( 2.626 1.479 -4.534) 5.444 2.811 ( 1.065 6.604 -1.264) 6.807 2.994 ( -4.308 13.822 -1.229) 14.530 3.029 ( 0.423 6.814 -1.301) 6.950 3.242 ( 0.513 -9.367 -5.570) 10.910 3.408 ( 1.020 -9.756 6.426) 11.727 3.710 ( -3.117 -14.825 3.467) 15.541 5.495 ( 2.171 13.891 -1.236) 14.114 5.636 ( 0.636 8.724 -3.420) 9.392 5.745 ( -2.312 8.837 -4.499) 10.182 5.791 ( -0.662 7.724 -5.769) 9.663 7.101 ( 4.417 3.258 0.833) 5.551 7.282 ( 5.706 -4.300 -0.423) 7.158 7.673 ( -12.021 4.742 1.746) 13.040 7.865 ( -7.617 -2.771 -1.425) 8.230 8.888 ( 7.842 8.415 -7.776) 13.885 9.198 ( 8.077 -3.570 -11.390) 14.412 9.415 ( -5.227 6.601 -6.210) 10.462 9.620 ( -2.355 -4.610 -3.689) 6.357 9.966 ( 2.638 3.741 -0.361) 4.592 10.084 ( 3.555 0.591 -0.375) 3.623 10.159 ( 0.898 -4.560 0.767) 4.711 10.260 ( 1.194 -4.992 -2.803) 5.848 11.898 ( 1.830 7.776 9.944) 12.756 12.290 ( -8.496 4.114 8.683) 12.826 12.391 ( 0.346 -13.991 4.921) 14.835 12.521 ( -2.108 -6.678 7.276) 10.098 13.290 ( 1.265 9.174 -3.831) 10.021 13.409 ( -1.815 10.967 -1.083) 11.168 13.517 ( 1.990 -2.702 -8.384) 9.031 13.690 ( -2.356 -2.414 -5.741) 6.659 15.650 ( 2.469 -0.249 2.914) 3.827 15.758 ( 1.725 -6.215 -0.141) 6.451 15.794 ( -0.793 -3.456 4.339) 5.603 15.884 ( -0.899 -7.753 2.047) 8.069 29.397 ( 1.448 8.338 1.111) 8.535 29.503 ( -0.648 5.050 -0.326) 5.102 29.594 ( -0.749 1.270 1.085) 1.831 29.611 ( -0.313 1.826 0.945) 2.080 31.834 ( 0.275 3.591 -0.865) 3.704 31.839 ( 0.173 5.603 -0.638) 5.642 32.041 ( 0.521 -5.979 -0.605) 6.032 32.092 ( -0.704 -6.207 -1.062) 6.337 83.490 ( 1.702 1.020 1.485) 2.479 83.501 ( 2.015 1.367 1.763) 3.006 83.785 ( -1.624 -6.556 4.942) 8.370 83.817 ( -2.025 -6.339 5.136) 8.406 ======================= Grid point 182 (69/144) ======================= q-point: ( 0.40 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.666 ( 7.088 11.846 -3.998) 14.372 2.770 ( -2.251 8.130 -3.583) 9.166 2.841 ( 1.909 8.379 -1.693) 8.759 2.897 ( -4.775 12.274 -0.359) 13.175 3.075 ( 4.782 -0.003 -2.596) 5.441 3.184 ( -5.729 -4.222 -3.487) 7.925 3.493 ( 6.887 -14.122 4.891) 16.456 3.622 ( -6.173 -15.092 4.094) 16.812 5.552 ( 3.698 13.820 -2.706) 14.560 5.620 ( -2.885 12.861 -4.275) 13.857 5.728 ( 1.127 6.186 -3.634) 7.262 5.764 ( -2.048 6.641 -4.908) 8.508 7.227 ( 8.955 4.158 1.105) 9.935 7.417 ( -2.707 2.078 -0.053) 3.413 7.455 ( 0.898 -2.024 0.826) 2.363 7.664 ( -12.416 -4.940 -0.865) 13.391 9.075 ( 11.106 9.022 -8.138) 16.461 9.274 ( -9.390 8.071 -7.635) 14.547 9.370 ( 9.295 -4.050 -9.840) 14.129 9.529 ( -7.106 -4.311 -7.720) 11.344 10.045 ( 4.725 2.881 1.821) 5.826 10.108 ( -1.460 2.150 1.639) 3.073 10.210 ( 3.920 -5.409 -1.153) 6.779 10.263 ( -1.245 -5.053 -2.179) 5.642 11.965 ( 5.646 7.485 10.064) 13.755 12.111 ( -9.482 6.436 9.687) 15.006 12.410 ( 1.954 -13.184 5.641) 14.473 12.464 ( -3.461 -10.309 6.559) 12.699 13.322 ( 2.144 9.759 -2.981) 10.427 13.367 ( -2.489 10.457 -1.952) 10.925 13.567 ( 3.275 -2.608 -7.556) 8.638 13.633 ( -3.512 -2.517 -6.569) 7.862 15.706 ( 3.163 -1.160 3.239) 4.674 15.757 ( -2.092 -2.342 3.591) 4.770 15.810 ( 2.550 -6.608 0.800) 7.128 15.856 ( -2.095 -7.173 1.477) 7.617 29.434 ( 2.341 7.800 1.014) 8.207 29.477 ( -2.047 6.823 0.566) 7.145 29.589 ( 0.292 0.774 0.645) 1.049 29.600 ( -0.747 1.207 0.674) 1.571 31.839 ( 0.247 4.190 -0.774) 4.268 31.841 ( 0.031 4.974 -0.683) 5.021 32.055 ( 0.955 -6.115 -0.811) 6.242 32.075 ( -1.070 -6.182 -0.981) 6.350 83.528 ( 1.836 2.351 1.349) 3.274 83.537 ( 1.126 2.706 1.349) 3.227 83.757 ( -0.738 -7.973 5.293) 9.598 83.773 ( -2.182 -7.630 5.293) 9.539 ======================= Grid point 185 (70/144) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.673 ( 0.000 -4.669 -4.364) 6.391 2.673 ( 0.000 4.669 -4.364) 6.391 2.958 ( 0.000 -10.665 -4.782) 11.688 2.958 ( 0.000 10.665 -4.782) 11.688 3.200 ( 0.000 -6.681 -1.124) 6.775 3.200 ( 0.000 6.681 -1.124) 6.775 3.429 ( 0.000 -14.252 3.684) 14.721 3.429 ( 0.000 14.252 3.684) 14.721 5.660 ( 0.000 -4.002 -1.891) 4.426 5.660 ( 0.000 4.002 -1.891) 4.426 5.875 ( 0.000 -0.203 -5.847) 5.851 5.875 ( 0.000 0.203 -5.847) 5.851 7.139 ( 0.000 -4.346 -0.509) 4.376 7.139 ( 0.000 4.346 -0.509) 4.376 7.889 ( 0.000 -3.444 0.562) 3.490 7.889 ( 0.000 3.444 0.562) 3.490 8.986 ( 0.000 -8.553 -11.430) 14.276 8.986 ( 0.000 8.553 -11.430) 14.276 9.559 ( 0.000 -3.626 -4.385) 5.690 9.559 ( 0.000 3.626 -4.385) 5.690 10.012 ( 0.000 -2.605 -0.855) 2.741 10.012 ( 0.000 2.605 -0.855) 2.741 10.148 ( 0.000 -3.397 -0.261) 3.407 10.148 ( 0.000 3.397 -0.261) 3.407 12.094 ( 0.000 -12.580 7.005) 14.399 12.094 ( 0.000 12.580 7.005) 14.399 12.457 ( 0.000 -3.463 8.520) 9.197 12.457 ( 0.000 3.463 8.520) 9.197 13.418 ( 0.000 -5.102 -5.881) 7.785 13.418 ( 0.000 5.102 -5.881) 7.785 13.618 ( 0.000 -7.007 -2.090) 7.312 13.618 ( 0.000 7.007 -2.090) 7.312 15.649 ( 0.000 -2.488 0.687) 2.581 15.649 ( 0.000 2.488 0.687) 2.581 15.787 ( 0.000 -2.181 3.392) 4.032 15.787 ( 0.000 2.181 3.392) 4.032 29.511 ( 0.000 -3.629 0.276) 3.639 29.511 ( 0.000 3.629 0.276) 3.639 29.627 ( 0.000 -0.700 1.336) 1.508 29.627 ( 0.000 0.700 1.336) 1.508 31.908 ( 0.000 -3.051 -1.254) 3.299 31.908 ( 0.000 3.051 -1.254) 3.299 31.979 ( 0.000 -4.434 -0.508) 4.463 31.979 ( 0.000 4.434 -0.508) 4.463 83.486 ( 0.000 -0.453 2.015) 2.065 83.486 ( 0.000 0.453 2.015) 2.065 83.757 ( 0.000 -1.405 3.015) 3.326 83.757 ( 0.000 1.405 3.015) 3.326 ======================= Grid point 187 (71/144) ======================= q-point: ( 0.20 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.723 ( 5.000 -4.648 -4.655) 8.262 2.723 ( 5.000 4.648 -4.655) 8.262 2.973 ( 0.885 -9.729 -5.150) 11.043 2.973 ( 0.885 9.729 -5.150) 11.043 3.188 ( -0.688 -6.470 -0.185) 6.509 3.188 ( -0.688 6.470 -0.185) 6.509 3.395 ( -3.487 -14.478 3.707) 15.347 3.395 ( -3.487 14.478 3.707) 15.347 5.680 ( 2.104 -3.880 -2.352) 5.002 5.680 ( 2.104 3.880 -2.352) 5.002 5.855 ( -2.082 -1.438 -5.558) 6.107 5.855 ( -2.082 1.438 -5.558) 6.107 7.186 ( 5.103 -4.680 -0.358) 6.933 7.186 ( 5.103 4.680 -0.358) 6.933 7.779 ( -10.476 -5.155 0.300) 11.680 7.779 ( -10.476 5.155 0.300) 11.680 9.072 ( 8.177 -8.405 -10.995) 16.074 9.072 ( 8.177 8.405 -10.995) 16.074 9.531 ( -3.346 -4.695 -6.294) 8.536 9.531 ( -3.346 4.695 -6.294) 8.536 10.037 ( 2.885 -3.610 0.275) 4.629 10.037 ( 2.885 3.610 0.275) 4.629 10.165 ( 1.205 -3.685 -0.135) 3.879 10.165 ( 1.205 3.685 -0.135) 3.879 12.105 ( 1.362 -12.219 7.331) 14.315 12.105 ( 1.362 12.219 7.331) 14.315 12.398 ( -5.811 -5.468 8.589) 11.724 12.398 ( -5.811 5.468 8.589) 11.724 13.436 ( 1.787 -5.304 -5.516) 7.858 13.436 ( 1.787 5.304 -5.516) 7.858 13.596 ( -2.237 -6.852 -2.501) 7.630 13.596 ( -2.237 6.852 -2.501) 7.630 15.670 ( 2.040 -2.402 0.956) 3.293 15.670 ( 2.040 2.402 0.956) 3.293 15.781 ( -0.659 -2.228 3.123) 3.892 15.781 ( -0.659 2.228 3.123) 3.892 29.522 ( 1.094 -3.423 0.384) 3.614 29.522 ( 1.094 3.423 0.384) 3.614 29.616 ( -1.192 -1.186 1.241) 2.090 29.616 ( -1.192 1.186 1.241) 2.090 31.915 ( 0.747 -3.160 -1.188) 3.457 31.915 ( 0.747 3.160 -1.188) 3.457 31.973 ( -0.654 -4.279 -0.585) 4.368 31.973 ( -0.654 4.279 -0.585) 4.368 83.512 ( 2.681 -0.667 2.107) 3.475 83.512 ( 2.681 0.667 2.107) 3.475 83.731 ( -2.658 -1.369 2.916) 4.177 83.731 ( -2.658 1.369 2.916) 4.177 ======================= Grid point 189 (72/144) ======================= q-point: ( 0.40 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.840 ( 6.781 -4.114 -5.395) 9.592 2.840 ( 6.781 4.114 -5.395) 9.592 2.949 ( -4.006 -4.986 -5.952) 8.737 2.949 ( -4.006 4.986 -5.952) 8.737 3.212 ( 3.759 -10.813 2.168) 11.651 3.212 ( 3.759 10.813 2.168) 11.651 3.307 ( -5.488 -14.165 3.384) 15.563 3.307 ( -5.488 14.165 3.384) 15.563 5.734 ( 3.454 -3.449 -3.479) 5.994 5.734 ( 3.454 3.449 -3.479) 5.994 5.801 ( -3.447 -2.625 -4.707) 6.397 5.801 ( -3.447 2.625 -4.707) 6.397 7.329 ( 9.978 -5.439 -0.090) 11.364 7.329 ( 9.978 5.439 -0.090) 11.364 7.549 ( -12.835 -5.940 0.077) 14.143 7.549 ( -12.835 5.940 0.077) 14.143 9.251 ( 10.046 -7.514 -10.232) 16.189 9.251 ( 10.046 7.514 -10.232) 16.189 9.424 ( -7.853 -6.221 -8.910) 13.407 9.424 ( -7.853 6.221 -8.910) 13.407 10.111 ( 4.294 -3.953 0.966) 5.916 10.111 ( 4.294 3.953 0.966) 5.916 10.168 ( -1.347 -3.852 0.400) 4.100 10.168 ( -1.347 3.852 0.400) 4.100 12.156 ( 4.338 -10.964 8.062) 14.284 12.156 ( 4.338 10.964 8.062) 14.284 12.268 ( -7.146 -8.584 8.567) 14.077 12.268 ( -7.146 8.584 8.567) 14.077 13.482 ( 2.972 -5.818 -4.617) 8.000 13.482 ( 2.972 5.818 -4.617) 8.000 13.542 ( -3.264 -6.413 -3.494) 7.999 13.542 ( -3.264 6.413 -3.494) 7.999 15.716 ( 2.601 -2.275 1.630) 3.821 15.716 ( 2.601 2.275 1.630) 3.821 15.759 ( -1.761 -2.254 2.446) 3.763 15.759 ( -1.761 2.254 2.446) 3.763 29.550 ( 1.818 -2.849 0.659) 3.443 29.550 ( 1.818 2.849 0.659) 3.443 29.586 ( -1.878 -2.037 0.987) 2.941 29.586 ( -1.878 2.037 0.987) 2.941 31.934 ( 1.162 -3.468 -1.011) 3.794 31.934 ( 1.162 3.468 -1.011) 3.794 31.956 ( -1.104 -3.895 -0.781) 4.123 31.956 ( -1.104 3.895 -0.781) 4.123 83.580 ( 4.326 -1.001 2.353) 5.025 83.580 ( 4.326 1.001 2.353) 5.025 83.664 ( -4.312 -1.244 2.662) 5.218 83.664 ( -4.312 1.244 2.662) 5.218 ======================= Grid point 225 (73/144) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( 0.000 0.000 14.460) 14.460 1.352 ( 0.000 0.000 18.501) 18.501 1.921 ( 0.000 0.000 0.148) 0.148 2.289 ( 0.000 0.000 -5.423) 5.423 2.296 ( 0.000 0.000 7.356) 7.356 2.467 ( 0.000 0.000 24.248) 24.248 2.796 ( 0.000 0.000 -3.890) 3.890 2.961 ( 0.000 0.000 -0.798) 0.798 3.758 ( 0.000 0.000 2.815) 2.815 4.007 ( 0.000 0.000 -0.544) 0.544 4.669 ( 0.000 0.000 16.094) 16.094 5.100 ( 0.000 0.000 6.828) 6.828 7.295 ( 0.000 0.000 2.928) 2.928 7.443 ( 0.000 0.000 9.243) 9.243 7.528 ( 0.000 0.000 -1.918) 1.918 7.840 ( 0.000 0.000 -4.256) 4.256 8.320 ( 0.000 0.000 1.306) 1.306 8.461 ( 0.000 0.000 -1.880) 1.880 8.504 ( 0.000 0.000 2.609) 2.609 8.736 ( 0.000 0.000 -6.196) 6.196 10.096 ( 0.000 0.000 -0.590) 0.590 10.307 ( 0.000 0.000 -10.661) 10.661 10.352 ( 0.000 0.000 2.992) 2.992 11.428 ( 0.000 0.000 -22.388) 22.388 11.874 ( 0.000 0.000 1.835) 1.835 11.957 ( 0.000 0.000 1.927) 1.927 11.984 ( 0.000 0.000 -0.485) 0.485 12.100 ( 0.000 0.000 -1.106) 1.106 12.410 ( 0.000 0.000 15.281) 15.281 12.801 ( 0.000 0.000 1.270) 1.270 12.928 ( 0.000 0.000 0.026) 0.026 13.846 ( 0.000 0.000 -14.793) 14.793 16.302 ( 0.000 0.000 20.593) 20.593 16.917 ( 0.000 0.000 -3.515) 3.515 17.418 ( 0.000 0.000 1.144) 1.144 17.546 ( 0.000 0.000 -1.876) 1.876 28.208 ( 0.000 0.000 6.386) 6.386 28.285 ( 0.000 0.000 5.002) 5.002 28.708 ( 0.000 0.000 -4.101) 4.101 28.761 ( 0.000 0.000 -4.945) 4.945 31.512 ( 0.000 0.000 5.412) 5.412 31.837 ( 0.000 0.000 -0.940) 0.940 32.661 ( 0.000 0.000 0.369) 0.369 32.725 ( 0.000 0.000 -1.459) 1.459 83.715 ( 0.000 0.000 10.551) 10.551 84.024 ( 0.000 0.000 8.335) 8.335 85.601 ( 0.000 0.000 30.866) 30.866 87.752 ( 0.000 0.000 -18.386) 18.386 ======================= Grid point 226 (74/144) ======================= q-point: ( 0.20 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( 0.807 0.000 11.495) 11.523 1.422 ( 7.140 0.000 16.584) 18.056 1.785 ( -12.643 0.000 0.019) 12.643 2.075 ( -12.332 0.000 3.737) 12.885 2.475 ( 8.645 0.000 -0.957) 8.698 2.564 ( 9.457 0.000 22.074) 24.015 2.777 ( -2.111 0.000 -3.739) 4.294 3.005 ( 2.347 0.000 0.531) 2.406 3.702 ( -2.290 0.000 6.239) 6.646 4.031 ( -0.574 0.000 1.746) 1.838 4.703 ( 3.984 0.000 12.668) 13.279 5.060 ( -4.046 0.000 6.353) 7.532 7.314 ( 2.004 0.000 2.587) 3.272 7.478 ( 3.634 0.000 8.931) 9.642 7.502 ( -2.642 0.000 -1.265) 2.929 7.815 ( -3.392 0.000 -0.123) 3.394 8.337 ( 1.730 0.000 0.814) 1.912 8.451 ( -1.126 0.000 -1.695) 2.035 8.480 ( 1.497 0.000 1.006) 1.803 8.811 ( 3.290 0.000 -8.066) 8.711 10.094 ( 0.497 0.000 -2.960) 3.002 10.305 ( -4.464 0.000 1.989) 4.887 10.455 ( 14.823 0.000 -11.784) 18.937 11.382 ( -5.745 0.000 -23.258) 23.957 11.879 ( 0.523 0.000 1.824) 1.898 11.938 ( -1.351 0.000 1.581) 2.080 12.006 ( 1.684 0.000 -0.207) 1.696 12.092 ( -0.840 0.000 -1.027) 1.327 12.392 ( -1.262 0.000 15.338) 15.390 12.630 ( -10.108 0.000 4.889) 11.228 13.142 ( 14.552 0.000 -3.356) 14.934 13.793 ( -5.568 0.000 -13.776) 14.859 16.399 ( 10.098 0.000 20.001) 22.406 16.962 ( 4.346 0.000 -2.313) 4.923 17.363 ( -7.198 0.000 2.954) 7.781 17.421 ( -10.714 0.000 -1.228) 10.784 28.214 ( 0.697 0.000 6.263) 6.302 28.277 ( -0.831 0.000 5.145) 5.212 28.714 ( 0.588 0.000 -4.192) 4.233 28.756 ( -0.453 0.000 -4.873) 4.894 31.568 ( 5.362 0.000 3.163) 6.226 31.823 ( -1.560 0.000 -1.199) 1.967 32.663 ( 0.296 0.000 0.361) 0.466 32.717 ( -0.818 0.000 -1.231) 1.478 83.726 ( 1.263 0.000 10.879) 10.952 83.966 ( -5.412 0.000 9.597) 11.018 85.773 ( 17.559 0.000 27.805) 32.885 87.471 ( -27.458 0.000 -8.701) 28.804 ======================= Grid point 227 (75/144) ======================= q-point: ( 0.40 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( 7.129 0.000 5.468) 8.985 1.524 ( -13.462 0.000 1.209) 13.516 1.602 ( 11.520 0.000 12.248) 16.814 1.836 ( -12.913 0.000 7.634) 15.001 2.617 ( 6.447 0.000 -2.385) 6.874 2.717 ( -4.256 0.000 -3.263) 5.363 2.775 ( 11.812 0.000 15.439) 19.439 2.965 ( -7.116 0.000 6.624) 9.722 3.758 ( 8.041 0.000 8.911) 12.003 3.936 ( -8.862 0.000 7.087) 11.348 4.817 ( 7.475 0.000 7.074) 10.291 4.956 ( -6.810 0.000 5.616) 8.826 7.367 ( 3.474 0.000 1.610) 3.829 7.438 ( -3.849 0.000 0.178) 3.853 7.575 ( 6.511 0.000 8.148) 10.430 7.709 ( -7.185 0.000 5.900) 9.297 8.378 ( 2.390 0.000 -0.209) 2.399 8.420 ( -2.035 0.000 -1.129) 2.327 8.600 ( 9.842 0.000 -3.412) 10.417 8.775 ( -6.934 0.000 -6.933) 9.805 10.128 ( 3.181 0.000 -3.548) 4.765 10.209 ( -5.138 0.000 -1.224) 5.282 10.813 ( 21.336 0.000 -17.384) 27.522 11.180 ( -16.022 0.000 -22.398) 27.539 11.893 ( 0.948 0.000 1.780) 2.017 11.914 ( -1.232 0.000 1.681) 2.084 12.039 ( 1.763 0.000 -0.484) 1.828 12.070 ( -1.469 0.000 -0.804) 1.675 12.393 ( 1.947 0.000 13.517) 13.657 12.472 ( -6.448 0.000 9.503) 11.484 13.413 ( 13.762 0.000 -7.454) 15.651 13.643 ( -10.327 0.000 -11.131) 15.183 16.663 ( 17.286 0.000 17.931) 24.906 16.983 ( -11.002 0.000 11.326) 15.790 17.167 ( -1.007 0.000 -2.391) 2.595 17.273 ( -7.288 0.000 -2.934) 7.857 28.233 ( 1.181 0.000 5.933) 6.049 28.256 ( -1.262 0.000 5.507) 5.649 28.728 ( 0.868 0.000 -4.419) 4.503 28.744 ( -0.787 0.000 -4.678) 4.744 31.681 ( 5.960 0.000 -0.214) 5.964 31.774 ( -3.749 0.000 -1.441) 4.017 32.675 ( 0.928 0.000 0.081) 0.932 32.696 ( -1.252 0.000 -0.597) 1.388 83.768 ( 3.402 0.000 11.354) 11.853 83.855 ( -5.658 0.000 11.079) 12.440 86.225 ( 29.652 0.000 20.407) 35.996 86.849 ( -35.461 0.000 8.253) 36.408 ======================= Grid point 230 (76/144) ======================= q-point: ( 0.00 0.07 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( 0.000 8.337 12.688) 15.182 1.595 ( 0.000 16.816 16.479) 23.544 1.957 ( 0.000 5.968 0.527) 5.992 2.415 ( 0.000 10.462 10.153) 14.579 2.451 ( 0.000 12.559 -4.157) 13.229 2.621 ( 0.000 14.918 18.430) 23.711 2.934 ( 0.000 11.544 -3.870) 12.175 3.074 ( 0.000 13.247 -2.373) 13.457 3.797 ( 0.000 4.370 2.065) 4.833 4.005 ( 0.000 -0.044 0.079) 0.091 4.655 ( 0.000 -1.235 15.261) 15.311 5.076 ( 0.000 -2.210 6.480) 6.846 7.353 ( 0.000 0.823 5.484) 5.545 7.514 ( 0.000 -1.426 -0.405) 1.483 7.550 ( 0.000 11.363 4.916) 12.381 7.899 ( 0.000 4.930 -3.288) 5.926 8.332 ( 0.000 2.697 2.456) 3.648 8.533 ( 0.000 3.213 1.246) 3.446 8.562 ( 0.000 9.014 -2.043) 9.242 8.840 ( 0.000 9.312 -9.329) 13.181 10.052 ( 0.000 -3.969 0.023) 3.969 10.215 ( 0.000 -7.786 -8.945) 11.859 10.348 ( 0.000 -0.214 2.137) 2.148 11.202 ( 0.000 -17.273 -14.127) 22.314 11.916 ( 0.000 3.698 0.679) 3.760 11.997 ( 0.000 -5.719 2.519) 6.249 12.006 ( 0.000 5.330 1.156) 5.454 12.188 ( 0.000 13.887 -5.462) 14.923 12.418 ( 0.000 1.835 11.649) 11.793 12.942 ( 0.000 1.060 0.880) 1.378 12.983 ( 0.000 12.988 -4.108) 13.622 13.787 ( 0.000 -5.681 -13.814) 14.936 16.265 ( 0.000 -3.503 19.322) 19.637 16.850 ( 0.000 -6.403 -3.420) 7.259 17.334 ( 0.000 -7.969 1.048) 8.038 17.398 ( 0.000 -13.589 0.854) 13.616 28.273 ( 0.000 6.219 6.079) 8.697 28.390 ( 0.000 9.444 2.852) 9.866 28.765 ( 0.000 5.391 -3.802) 6.597 28.817 ( 0.000 5.381 -4.786) 7.201 31.519 ( 0.000 0.728 5.127) 5.178 31.823 ( 0.000 -1.239 -0.812) 1.481 32.636 ( 0.000 -2.409 0.256) 2.422 32.691 ( 0.000 -3.196 -1.315) 3.456 83.701 ( 0.000 -1.358 9.918) 10.011 83.961 ( 0.000 -5.723 8.505) 10.252 85.493 ( 0.000 -10.156 29.270) 30.982 87.293 ( 0.000 -40.256 -5.894) 40.685 ======================= Grid point 231 (77/144) ======================= q-point: ( 0.20 0.07 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( -0.522 7.579 10.638) 13.072 1.634 ( 2.091 12.007 12.714) 17.612 1.844 ( -8.076 10.655 3.193) 13.746 2.276 ( -9.639 15.593 4.786) 18.946 2.597 ( 10.016 11.251 4.699) 15.779 2.691 ( 6.536 12.032 13.310) 19.095 2.931 ( -1.154 12.931 -3.921) 13.562 3.089 ( 0.358 10.423 -1.050) 10.482 3.742 ( -2.018 4.375 5.713) 7.473 4.042 ( 0.350 1.316 1.896) 2.334 4.683 ( 3.546 -1.756 12.174) 12.801 5.037 ( -4.050 -2.212 5.995) 7.566 7.378 ( 2.671 1.280 5.313) 6.083 7.516 ( 0.201 1.215 0.329) 1.275 7.552 ( 0.183 8.255 4.909) 9.606 7.830 ( -7.033 1.890 1.224) 7.385 8.342 ( 2.842 1.982 1.665) 3.844 8.541 ( -1.326 8.667 -1.595) 8.912 8.583 ( 4.095 8.226 -1.247) 9.273 8.891 ( 2.495 7.803 -10.314) 13.172 10.065 ( 1.589 -2.479 -3.016) 4.215 10.296 ( -2.867 -2.185 2.362) 4.310 10.342 ( 10.902 -8.374 -9.985) 16.990 11.154 ( -5.572 -17.646 -14.957) 23.794 11.910 ( -0.355 0.999 1.411) 1.765 11.987 ( -1.820 4.375 1.601) 5.001 12.008 ( 1.082 -2.118 2.563) 3.497 12.166 ( -2.735 10.666 -2.370) 11.263 12.438 ( 2.702 5.690 8.634) 10.687 12.792 ( -8.211 10.519 -0.754) 13.365 13.172 ( 11.993 2.804 -3.601) 12.832 13.739 ( -5.057 -5.245 -12.805) 14.732 16.357 ( 9.497 -4.039 18.766) 21.417 16.895 ( 4.379 -6.418 -2.361) 8.120 17.262 ( -10.602 -10.618 4.779) 15.748 17.306 ( -5.822 -9.527 -1.138) 11.223 28.282 ( 0.931 6.408 5.897) 8.758 28.375 ( -1.449 8.941 3.401) 9.675 28.771 ( 0.617 5.426 -3.931) 6.728 28.813 ( -0.443 5.380 -4.700) 7.158 31.570 ( 4.869 0.234 3.191) 5.826 31.809 ( -1.536 -1.218 -1.011) 2.206 32.638 ( 0.247 -2.449 0.253) 2.474 32.684 ( -0.721 -3.108 -1.106) 3.377 83.710 ( 1.081 -1.502 10.234) 10.400 83.913 ( -4.485 -4.797 9.434) 11.495 85.643 ( 15.270 -12.186 26.789) 33.156 87.070 ( -21.965 -35.470 0.363) 41.721 ======================= Grid point 232 (78/144) ======================= q-point: ( 0.40 0.07 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.366 ( 5.025 5.351 6.178) 9.595 1.522 ( -10.654 2.668 3.021) 11.391 1.874 ( 9.051 20.434 11.291) 25.039 2.074 ( -11.354 18.606 8.109) 23.257 2.774 ( 7.453 13.556 -2.000) 15.598 2.848 ( 9.635 7.900 12.260) 17.480 2.881 ( -3.595 14.078 -3.487) 14.942 3.027 ( -7.284 7.809 4.276) 11.503 3.798 ( 7.619 4.394 8.638) 12.328 3.963 ( -8.047 3.054 7.012) 11.102 4.792 ( 7.396 -2.327 6.776) 10.297 4.932 ( -6.894 -2.309 5.298) 8.996 7.449 ( 4.299 4.288 3.796) 7.161 7.509 ( -1.641 5.697 1.218) 6.052 7.571 ( 2.852 1.201 6.187) 6.917 7.677 ( -7.945 -2.182 6.320) 10.384 8.428 ( 4.886 4.479 0.001) 6.628 8.501 ( -2.931 7.235 -0.945) 7.863 8.702 ( 8.446 9.626 -4.702) 13.642 8.857 ( -6.246 8.028 -8.361) 13.167 10.115 ( 3.698 -1.141 -4.064) 5.612 10.201 ( -5.308 -0.704 -1.564) 5.578 10.650 ( 18.818 -13.819 -12.935) 26.690 10.972 ( -13.982 -16.880 -15.545) 26.871 11.914 ( 0.985 -0.520 2.597) 2.826 11.946 ( -2.219 1.699 2.556) 3.787 12.038 ( 2.269 2.617 2.670) 4.373 12.097 ( -3.888 6.111 1.806) 7.465 12.522 ( 5.876 10.802 3.476) 12.779 12.647 ( -7.227 12.367 0.526) 14.334 13.401 ( 11.914 -1.342 -6.753) 13.760 13.603 ( -9.228 -3.878 -10.196) 14.288 16.605 ( 16.197 -5.579 16.865) 24.039 16.911 ( -11.956 -6.887 11.608) 18.031 17.072 ( 1.374 -8.849 -2.680) 9.348 17.188 ( -7.111 -7.989 -2.380) 10.957 28.307 ( 1.662 6.978 5.352) 8.950 28.342 ( -1.954 7.903 4.461) 9.283 28.785 ( 0.855 5.441 -4.202) 6.927 28.801 ( -0.757 5.404 -4.482) 7.061 31.674 ( 5.565 -0.602 0.150) 5.600 31.762 ( -3.609 -1.077 -1.110) 3.926 32.648 ( 0.799 -2.607 0.028) 2.726 32.666 ( -1.094 -2.873 -0.546) 3.122 83.747 ( 2.926 -2.044 10.704) 11.283 83.820 ( -4.803 -3.185 10.544) 12.016 86.034 ( 25.511 -17.578 20.883) 37.362 86.563 ( -29.520 -25.878 11.892) 41.018 ======================= Grid point 235 (79/144) ======================= q-point: ( 0.00 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( 0.000 14.319 8.921) 16.870 1.819 ( 0.000 6.698 10.166) 12.174 2.158 ( 0.000 9.630 7.490) 12.199 2.638 ( 0.000 4.446 -2.251) 4.983 2.739 ( 0.000 17.209 7.935) 18.950 3.029 ( 0.000 25.292 11.899) 27.951 3.265 ( 0.000 18.492 -3.991) 18.918 3.499 ( 0.000 26.228 -5.508) 26.800 3.979 ( 0.000 14.388 0.574) 14.400 4.021 ( 0.000 2.188 2.799) 3.553 4.636 ( 0.000 0.228 11.698) 11.700 5.012 ( 0.000 -3.976 5.241) 6.579 7.332 ( 0.000 -2.041 5.295) 5.675 7.472 ( 0.000 -2.527 1.160) 2.780 7.711 ( 0.000 1.555 8.324) 8.468 7.991 ( 0.000 2.925 0.222) 2.933 8.495 ( 0.000 12.305 -2.829) 12.626 8.633 ( 0.000 6.304 -1.529) 6.487 8.799 ( 0.000 12.864 -2.098) 13.034 9.072 ( 0.000 12.098 -10.365) 15.931 9.960 ( 0.000 -4.145 0.638) 4.194 10.060 ( 0.000 -5.553 -7.631) 9.437 10.346 ( 0.000 0.045 0.007) 0.045 10.825 ( 0.000 -18.228 -5.919) 19.165 11.942 ( 0.000 0.330 4.981) 4.992 12.029 ( 0.000 7.826 -2.633) 8.257 12.184 ( 0.000 11.601 1.261) 11.670 12.325 ( 0.000 0.348 9.100) 9.106 12.626 ( 0.000 16.810 -9.981) 19.550 12.958 ( 0.000 0.277 2.310) 2.327 13.209 ( 0.000 8.001 -9.369) 12.321 13.620 ( 0.000 -10.323 -11.339) 15.334 16.164 ( 0.000 -6.127 15.997) 17.131 16.664 ( 0.000 -11.372 -3.115) 11.791 17.042 ( 0.000 -19.681 4.983) 20.302 17.104 ( 0.000 -13.944 0.797) 13.967 28.451 ( 0.000 10.705 5.287) 11.939 28.629 ( 0.000 12.836 -0.152) 12.836 28.920 ( 0.000 9.406 -2.960) 9.861 28.973 ( 0.000 9.516 -4.213) 10.407 31.542 ( 0.000 1.535 4.316) 4.581 31.791 ( 0.000 -1.734 -0.566) 1.824 32.565 ( 0.000 -4.398 -0.062) 4.399 32.598 ( 0.000 -5.692 -0.985) 5.777 83.662 ( 0.000 -2.345 8.242) 8.569 83.813 ( 0.000 -7.998 8.369) 11.577 85.209 ( 0.000 -16.688 24.921) 29.992 86.329 ( 0.000 -48.768 10.377) 49.860 ======================= Grid point 236 (80/144) ======================= q-point: ( 0.20 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( -2.050 13.476 7.829) 15.720 1.787 ( -5.083 6.657 5.164) 9.840 2.142 ( 1.413 11.975 12.339) 17.252 2.570 ( -6.040 10.155 5.058) 12.853 2.859 ( 9.410 10.288 1.849) 14.065 3.058 ( 3.624 25.529 10.285) 27.761 3.247 ( -1.979 16.897 -4.266) 17.539 3.484 ( -2.520 25.942 -5.029) 26.544 3.912 ( -0.784 12.264 5.394) 13.421 4.115 ( 3.376 7.209 2.016) 8.212 4.646 ( 1.937 -0.966 9.627) 9.867 4.972 ( -4.116 -3.991 4.761) 7.452 7.354 ( 2.584 -2.412 5.848) 6.833 7.508 ( 3.474 -1.818 1.777) 4.305 7.668 ( -3.998 0.323 7.476) 8.484 7.914 ( -8.361 4.985 1.533) 9.855 8.446 ( 1.608 7.462 0.516) 7.651 8.763 ( -3.332 11.654 -1.468) 12.210 8.792 ( 9.860 11.622 -4.584) 15.916 9.108 ( 2.145 12.210 -11.472) 16.891 10.013 ( 4.573 -2.269 -2.660) 5.757 10.103 ( 5.401 -9.424 -4.425) 11.728 10.308 ( -3.269 0.231 -2.224) 3.960 10.773 ( -5.703 -18.052 -6.539) 20.029 11.904 ( -1.872 0.945 4.651) 5.102 12.083 ( 2.130 7.152 0.870) 7.513 12.127 ( -3.442 8.048 2.442) 9.088 12.313 ( -1.838 5.300 5.542) 7.886 12.670 ( 4.435 15.210 -8.879) 18.162 12.947 ( -1.754 4.224 -2.163) 5.059 13.242 ( 3.858 3.376 -6.768) 8.490 13.583 ( -3.820 -9.676 -10.404) 14.713 16.241 ( 7.916 -6.999 15.527) 18.781 16.707 ( 4.349 -11.503 -2.420) 12.533 16.950 ( -9.155 -17.922 6.495) 21.147 17.066 ( -4.004 -13.896 0.026) 14.461 28.464 ( 1.373 10.891 5.003) 12.064 28.606 ( -2.255 12.627 0.781) 12.851 28.927 ( 0.651 9.405 -3.162) 9.943 28.969 ( -0.475 9.474 -4.093) 10.331 31.580 ( 3.713 0.865 3.009) 4.857 31.778 ( -1.406 -1.645 -0.640) 2.256 32.566 ( 0.103 -4.481 -0.045) 4.483 32.594 ( -0.460 -5.540 -0.833) 5.621 83.667 ( 0.673 -2.527 8.524) 8.917 83.788 ( -2.415 -6.850 8.659) 11.302 85.308 ( 10.143 -19.316 23.581) 32.125 86.205 ( -12.503 -44.612 12.343) 47.947 ======================= Grid point 237 (81/144) ======================= q-point: ( 0.40 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( 2.216 11.757 5.314) 13.091 1.646 ( -7.809 9.002 3.048) 12.301 2.246 ( 8.512 13.110 13.986) 20.975 2.421 ( -9.313 12.338 10.505) 18.690 3.023 ( 7.446 9.096 -0.404) 11.762 3.123 ( -1.373 14.431 1.795) 14.607 3.238 ( 5.134 23.928 0.034) 24.473 3.385 ( -7.655 25.267 -1.788) 26.461 3.974 ( 6.318 13.339 7.359) 16.493 4.095 ( -5.060 10.763 6.037) 13.338 4.731 ( 6.669 -3.156 5.186) 9.018 4.865 ( -6.927 -3.924 4.017) 8.917 7.435 ( 5.876 -3.413 7.023) 9.772 7.549 ( -4.064 -4.680 7.136) 9.452 7.614 ( 3.230 3.645 2.523) 5.485 7.737 ( -8.713 5.878 2.631) 10.835 8.548 ( 7.351 6.754 0.965) 10.029 8.677 ( -5.831 8.949 -0.046) 10.681 8.961 ( 8.263 14.285 -6.952) 17.908 9.090 ( -4.541 13.517 -9.975) 17.402 10.092 ( 4.062 -0.938 -5.469) 6.877 10.167 ( -2.997 -3.943 -1.605) 5.206 10.362 ( 12.266 -10.720 -7.474) 17.923 10.608 ( -11.725 -16.532 -7.449) 21.593 11.907 ( 2.463 1.230 6.262) 6.840 11.993 ( -6.168 3.001 6.574) 9.501 12.181 ( 4.285 9.438 0.403) 10.373 12.257 ( -3.762 9.172 2.226) 10.160 12.774 ( 6.100 12.770 -7.906) 16.211 12.882 ( -4.991 9.780 -6.754) 12.890 13.351 ( 7.076 -3.626 -5.783) 9.832 13.483 ( -6.548 -7.640 -8.073) 12.901 16.446 ( 13.290 -9.506 14.017) 21.528 16.707 ( -12.798 -12.642 11.296) 21.242 16.834 ( 5.667 -13.460 -2.816) 14.873 16.962 ( -6.697 -13.450 -1.360) 15.086 28.501 ( 2.497 11.402 4.119) 12.377 28.554 ( -2.998 12.072 2.603) 12.708 28.942 ( 0.839 9.395 -3.516) 10.066 28.957 ( -0.751 9.411 -3.831) 10.189 31.662 ( 4.517 -0.393 0.740) 4.594 31.736 ( -3.138 -1.272 -0.478) 3.420 32.571 ( 0.467 -4.748 -0.136) 4.773 32.582 ( -0.690 -5.161 -0.464) 5.227 83.690 ( 1.830 -3.227 8.961) 9.698 83.735 ( -2.831 -4.744 9.017) 10.574 85.567 ( 16.716 -26.091 20.455) 37.129 85.904 ( -18.174 -35.376 16.462) 43.044 ======================= Grid point 240 (82/144) ======================= q-point: ( 0.00 0.21 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.913 ( 0.000 17.423 5.353) 18.227 1.951 ( 0.000 6.578 7.150) 9.716 2.330 ( 0.000 8.018 7.538) 11.005 2.677 ( 0.000 0.325 -2.595) 2.615 2.947 ( 0.000 3.867 6.956) 7.959 3.510 ( 0.000 3.839 -5.870) 7.014 3.643 ( 0.000 30.686 5.834) 31.236 4.041 ( 0.000 9.422 8.414) 12.632 4.144 ( 0.000 23.108 -4.514) 23.544 4.376 ( 0.000 22.277 1.049) 22.301 4.736 ( 0.000 11.473 2.921) 11.839 4.928 ( 0.000 -3.049 2.004) 3.649 7.277 ( 0.000 -3.464 3.951) 5.254 7.417 ( 0.000 -2.704 1.504) 3.094 7.673 ( 0.000 -2.853 9.569) 9.986 8.003 ( 0.000 -1.549 2.827) 3.223 8.705 ( 0.000 5.761 -6.022) 8.334 8.764 ( 0.000 5.623 -4.744) 7.357 9.046 ( 0.000 10.263 -0.036) 10.263 9.317 ( 0.000 12.012 -5.883) 13.375 9.910 ( 0.000 -0.342 -0.649) 0.734 10.011 ( 0.000 -0.498 -8.688) 8.702 10.346 ( 0.000 -0.352 -1.657) 1.693 10.485 ( 0.000 -13.992 -0.811) 14.015 11.982 ( 0.000 2.592 9.141) 9.501 12.248 ( 0.000 13.333 -4.305) 14.011 12.325 ( 0.000 0.625 8.094) 8.118 12.458 ( 0.000 14.247 1.375) 14.313 12.950 ( 0.000 -0.899 3.171) 3.296 12.977 ( 0.000 16.300 -13.371) 21.082 13.312 ( 0.000 2.603 -11.598) 11.887 13.376 ( 0.000 -12.958 -8.139) 15.302 16.024 ( 0.000 -7.276 11.733) 13.806 16.401 ( 0.000 -13.673 -2.574) 13.913 16.636 ( 0.000 -18.959 6.557) 20.061 16.783 ( 0.000 -16.765 0.550) 16.774 28.697 ( 0.000 12.859 4.299) 13.558 28.893 ( 0.000 12.634 -1.308) 12.701 29.135 ( 0.000 11.001 -1.791) 11.146 29.189 ( 0.000 10.879 -3.099) 11.312 31.583 ( 0.000 2.465 3.112) 3.970 31.759 ( 0.000 -1.241 -0.435) 1.314 32.460 ( 0.000 -5.717 -0.508) 5.739 32.465 ( 0.000 -7.126 -0.661) 7.157 83.609 ( 0.000 -2.724 6.060) 6.644 83.658 ( 0.000 -6.606 7.101) 9.699 84.840 ( 0.000 -18.504 18.984) 26.510 85.402 ( 0.000 -40.244 14.708) 42.847 ======================= Grid point 241 (83/144) ======================= q-point: ( 0.20 0.21 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.853 ( -3.398 14.196 5.298) 15.529 1.959 ( -2.293 10.988 3.490) 11.755 2.330 ( 2.172 7.814 10.902) 13.588 2.675 ( -2.227 1.733 1.823) 3.360 2.991 ( 5.476 2.694 4.216) 7.417 3.442 ( -5.941 5.111 -3.657) 8.648 3.704 ( 5.287 29.415 3.962) 30.147 4.086 ( -4.940 29.113 -5.498) 30.036 4.116 ( 6.719 5.280 9.360) 12.675 4.406 ( 1.894 19.746 2.069) 19.944 4.723 ( -0.944 10.697 1.683) 10.870 4.894 ( -3.474 -2.013 1.358) 4.238 7.294 ( 1.979 -3.505 4.553) 6.077 7.453 ( 2.924 -3.114 2.728) 5.068 7.627 ( -3.409 -2.763 7.586) 8.764 7.963 ( -5.483 -0.192 2.018) 5.846 8.590 ( -0.878 5.358 -0.754) 5.482 8.978 ( -3.829 8.354 0.208) 9.192 8.999 ( 11.317 7.011 -7.960) 15.511 9.360 ( 2.801 12.151 -7.688) 14.649 9.941 ( 3.249 -3.081 0.184) 4.481 10.029 ( 1.937 -0.086 -7.799) 8.037 10.315 ( -2.767 0.170 -3.004) 4.088 10.452 ( -3.562 -12.198 -1.544) 12.801 11.956 ( -1.606 3.273 8.843) 9.565 12.213 ( -7.773 3.556 8.442) 12.014 12.313 ( 4.387 12.060 -3.369) 13.268 12.491 ( 1.253 12.080 1.580) 12.247 12.961 ( 1.623 4.615 -2.380) 5.440 13.008 ( 2.485 9.733 -9.757) 14.004 13.291 ( -1.859 0.815 -10.252) 10.451 13.357 ( -2.055 -11.243 -7.923) 13.907 16.082 ( 5.967 -8.138 11.376) 15.207 16.440 ( 3.982 -13.955 -2.209) 14.679 16.576 ( -6.077 -17.610 7.088) 19.932 16.749 ( -3.547 -16.458 0.290) 16.838 28.713 ( 1.645 12.926 3.976) 13.624 28.871 ( -2.282 12.818 -0.439) 13.027 29.140 ( 0.561 10.895 -2.028) 11.097 29.183 ( -0.568 10.837 -2.977) 11.253 31.608 ( 2.445 1.863 2.347) 3.867 31.749 ( -1.096 -1.065 -0.412) 1.583 32.458 ( -0.133 -5.993 -0.462) 6.013 32.464 ( -0.100 -6.793 -0.590) 6.820 83.611 ( 0.320 -2.836 6.330) 6.943 83.653 ( -0.498 -5.794 6.942) 9.056 84.889 ( 5.115 -20.589 18.499) 28.148 85.343 ( -6.024 -37.980 15.097) 41.312 ======================= Grid point 242 (84/144) ======================= q-point: ( 0.40 0.21 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( 0.588 14.204 3.757) 14.705 1.877 ( -4.814 13.281 2.353) 14.321 2.431 ( 7.515 6.418 12.106) 15.628 2.577 ( -7.320 4.266 8.537) 12.027 3.138 ( 9.115 2.066 0.483) 9.359 3.306 ( -8.338 3.503 -1.630) 9.189 3.824 ( 7.286 29.122 1.441) 30.054 3.965 ( -7.334 27.788 -1.709) 28.790 4.271 ( 8.418 11.279 6.672) 15.575 4.395 ( -3.888 15.619 5.230) 16.924 4.733 ( 2.616 7.044 -0.780) 7.555 4.810 ( -4.920 1.562 -0.199) 5.166 7.355 ( 4.427 -4.070 6.008) 8.500 7.445 ( -4.291 -4.650 6.992) 9.430 7.646 ( 6.357 -0.388 2.055) 6.692 7.807 ( -9.668 0.829 1.427) 9.807 8.676 ( 8.173 5.109 1.764) 9.798 8.841 ( -8.521 6.604 1.479) 10.882 9.220 ( 9.958 9.043 -9.357) 16.386 9.356 ( -3.978 11.251 -9.627) 15.332 10.023 ( 4.634 -6.427 -0.360) 7.931 10.067 ( 0.770 -2.165 -3.657) 4.319 10.281 ( 0.751 -0.012 -5.827) 5.875 10.358 ( -5.860 -6.689 -3.803) 9.672 11.960 ( 2.673 3.386 9.438) 10.377 12.059 ( -7.474 3.256 9.560) 12.564 12.406 ( 4.777 12.449 -1.750) 13.448 12.478 ( -2.544 12.249 0.183) 12.512 13.007 ( 2.795 6.451 -6.826) 9.799 13.039 ( 0.081 6.984 -9.286) 11.620 13.269 ( 0.333 -3.515 -7.531) 8.317 13.306 ( -2.935 -7.914 -7.200) 11.094 16.234 ( 9.678 -10.624 10.335) 17.702 16.422 ( -9.718 -14.161 8.846) 19.319 16.540 ( 6.155 -14.843 -1.659) 16.154 16.657 ( -5.918 -15.713 -0.528) 16.799 28.757 ( 2.895 13.053 2.984) 13.699 28.816 ( -3.271 13.052 1.364) 13.525 29.154 ( 0.813 10.764 -2.422) 11.063 29.169 ( -0.824 10.763 -2.729) 11.134 31.663 ( 3.159 0.603 0.879) 3.334 31.717 ( -2.341 -0.473 -0.110) 2.390 32.457 ( 0.087 -6.216 -0.399) 6.230 32.461 ( -0.232 -6.479 -0.459) 6.499 83.622 ( 0.824 -3.247 6.667) 7.462 83.639 ( -0.936 -4.285 6.784) 8.079 85.022 ( 8.625 -25.873 17.347) 32.322 85.195 ( -9.177 -32.396 16.083) 37.315 ======================= Grid point 245 (85/144) ======================= q-point: ( 0.00 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.092 ( 0.000 7.159 4.631) 8.526 2.284 ( 0.000 18.365 2.880) 18.589 2.505 ( 0.000 9.040 4.220) 9.977 2.671 ( 0.000 -0.678 -3.819) 3.878 2.962 ( 0.000 -1.286 4.115) 4.311 3.474 ( 0.000 -5.847 -7.300) 9.353 3.990 ( 0.000 -7.589 13.120) 15.157 4.119 ( 0.000 11.077 5.071) 12.183 4.747 ( 0.000 28.291 -6.470) 29.021 4.773 ( 0.000 15.394 4.498) 16.037 5.021 ( 0.000 15.398 -6.098) 16.561 5.076 ( 0.000 18.866 -3.124) 19.123 7.190 ( 0.000 -4.636 4.549) 6.495 7.362 ( 0.000 -2.710 0.844) 2.839 7.656 ( 0.000 1.686 3.335) 3.737 7.948 ( 0.000 -3.207 3.966) 5.100 8.733 ( 0.000 -1.685 -4.337) 4.653 8.851 ( 0.000 2.843 -8.581) 9.039 9.207 ( 0.000 5.643 1.607) 5.867 9.566 ( 0.000 11.618 -3.568) 12.153 9.939 ( 0.000 2.520 -2.226) 3.362 9.943 ( 0.000 -7.346 -5.138) 8.965 10.296 ( 0.000 -4.144 -1.354) 4.360 10.322 ( 0.000 -2.128 -1.726) 2.740 12.016 ( 0.000 0.569 12.713) 12.726 12.373 ( 0.000 4.059 6.370) 7.553 12.547 ( 0.000 14.088 -3.804) 14.593 12.721 ( 0.000 9.354 1.430) 9.462 12.943 ( 0.000 0.881 2.374) 2.532 13.120 ( 0.000 -9.707 -3.869) 10.450 13.258 ( 0.000 8.924 -11.102) 14.244 13.359 ( 0.000 4.221 -12.354) 13.056 15.876 ( 0.000 -6.908 7.658) 10.314 16.123 ( 0.000 -12.860 -1.848) 12.992 16.288 ( 0.000 -14.559 6.060) 15.770 16.439 ( 0.000 -16.172 0.611) 16.184 28.965 ( 0.000 12.896 3.366) 13.328 29.141 ( 0.000 11.350 -1.274) 11.421 29.354 ( 0.000 9.936 -0.640) 9.957 29.399 ( 0.000 9.160 -1.644) 9.307 31.644 ( 0.000 3.478 1.715) 3.878 31.745 ( 0.000 0.023 -0.501) 0.502 32.312 ( 0.000 -7.516 -0.462) 7.530 32.335 ( 0.000 -6.331 -0.952) 6.402 83.553 ( 0.000 -3.510 4.999) 6.108 83.555 ( 0.000 -2.380 3.986) 4.643 84.473 ( 0.000 -16.802 12.865) 21.162 84.689 ( 0.000 -29.218 12.093) 31.621 ======================= Grid point 246 (86/144) ======================= q-point: ( 0.20 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.086 ( -0.132 9.609 3.588) 10.258 2.265 ( -2.826 17.216 1.601) 17.520 2.494 ( 0.786 8.316 6.188) 10.395 2.687 ( -0.157 0.011 -0.740) 0.756 2.996 ( 4.444 -1.445 2.574) 5.334 3.433 ( -4.640 -4.370 -5.126) 8.179 4.036 ( 4.812 -8.692 10.924) 14.766 4.153 ( 2.874 8.565 4.869) 10.263 4.711 ( -2.814 27.544 -4.774) 28.096 4.755 ( -2.563 15.976 3.018) 16.459 5.023 ( 0.457 18.049 -6.569) 19.212 5.076 ( -0.163 18.380 -3.019) 18.627 7.211 ( 2.278 -4.235 4.725) 6.742 7.398 ( 2.908 -2.193 1.447) 3.919 7.590 ( -4.639 -0.448 3.587) 5.881 7.929 ( -3.977 -2.532 1.632) 4.989 8.657 ( -0.134 1.644 -1.920) 2.531 9.050 ( 13.398 0.002 -9.043) 16.164 9.124 ( -7.448 5.175 0.886) 9.112 9.591 ( -0.020 9.088 -6.512) 11.180 9.890 ( 0.295 -3.425 -0.429) 3.465 10.021 ( 3.651 0.363 -2.885) 4.667 10.298 ( -0.299 -2.827 -2.411) 3.728 10.308 ( -0.911 -1.649 -2.282) 2.959 12.007 ( -0.447 1.501 12.366) 12.465 12.283 ( -7.889 4.084 8.108) 12.027 12.592 ( 3.968 13.300 -4.292) 14.528 12.739 ( 1.057 9.433 0.444) 9.503 12.952 ( 1.040 -0.430 2.407) 2.657 13.095 ( -2.493 -8.978 -3.062) 9.808 13.263 ( 0.599 8.016 -11.374) 13.927 13.345 ( -1.382 4.414 -12.291) 13.133 15.918 ( 4.370 -7.489 7.450) 11.432 16.157 ( 3.381 -13.133 -1.509) 13.645 16.251 ( -3.795 -13.719 6.077) 15.477 16.412 ( -2.797 -15.758 0.520) 16.013 28.981 ( 1.659 12.862 3.082) 13.329 29.124 ( -1.774 11.686 -0.610) 11.835 29.356 ( 0.280 9.727 -0.852) 9.769 29.393 ( -0.593 9.177 -1.581) 9.331 31.658 ( 1.376 3.021 1.315) 3.570 31.740 ( -0.637 0.251 -0.446) 0.817 32.314 ( 0.138 -7.380 -0.479) 7.397 32.332 ( -0.295 -6.445 -0.872) 6.511 83.555 ( 0.358 -2.596 4.661) 5.348 83.563 ( 0.532 -2.829 4.266) 5.146 84.487 ( 1.568 -18.123 12.781) 22.232 84.663 ( -2.644 -28.154 12.140) 30.773 ======================= Grid point 247 (87/144) ======================= q-point: ( 0.40 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.107 ( 2.623 13.448 2.207) 13.878 2.182 ( -4.996 15.826 1.180) 16.638 2.552 ( 4.628 5.912 7.072) 10.314 2.641 ( -4.253 2.505 4.274) 6.529 3.130 ( 9.023 -2.228 -0.012) 9.294 3.303 ( -8.681 -2.884 -1.931) 9.349 4.144 ( 5.350 -7.831 7.603) 12.155 4.193 ( 0.402 0.600 5.300) 5.349 4.668 ( -1.072 26.764 -3.064) 26.960 4.690 ( -3.272 20.264 0.506) 20.532 5.041 ( 1.332 19.511 -5.485) 20.311 5.065 ( -1.035 18.861 -3.812) 19.270 7.277 ( 4.732 -3.199 5.088) 7.649 7.378 ( -5.205 -1.643 4.766) 7.246 7.611 ( 7.382 -2.766 0.596) 7.906 7.787 ( -9.878 -2.365 -0.048) 10.157 8.757 ( 9.189 3.126 0.463) 9.718 8.949 ( -10.344 4.266 0.915) 11.226 9.300 ( 12.400 -0.481 -10.150) 16.031 9.503 ( -8.664 1.965 -9.833) 13.251 9.964 ( 5.876 0.742 2.176) 6.310 10.047 ( -1.735 1.308 0.498) 2.229 10.286 ( 0.183 -0.255 -4.589) 4.599 10.300 ( -0.657 -0.887 -4.091) 4.237 12.026 ( 3.019 2.823 11.680) 12.390 12.128 ( -7.588 3.620 10.332) 13.321 12.673 ( 4.183 11.970 -3.712) 13.212 12.734 ( -1.876 10.656 -1.820) 10.972 12.985 ( 2.373 -3.848 1.558) 4.782 13.038 ( -3.194 -7.112 -0.789) 7.836 13.282 ( 1.375 6.400 -11.848) 13.536 13.313 ( -1.837 5.113 -12.136) 13.296 16.027 ( 6.705 -9.193 6.935) 13.325 16.153 ( -6.321 -11.619 6.419) 14.702 16.240 ( 5.191 -13.826 -0.788) 14.789 16.338 ( -4.867 -14.815 0.066) 15.594 29.024 ( 2.780 12.701 2.221) 13.190 29.079 ( -2.871 12.295 0.849) 12.655 29.365 ( 0.638 9.396 -1.217) 9.496 29.379 ( -0.808 9.231 -1.447) 9.379 31.690 ( 1.828 1.976 0.486) 2.735 31.721 ( -1.375 0.934 -0.167) 1.671 32.318 ( 0.316 -7.067 -0.550) 7.095 32.325 ( -0.414 -6.724 -0.699) 6.773 83.564 ( 0.511 -2.217 4.515) 5.056 83.569 ( 0.040 -2.426 4.327) 4.961 84.532 ( 3.142 -21.452 12.554) 25.053 84.600 ( -3.806 -25.273 12.299) 28.363 ======================= Grid point 250 (88/144) ======================= q-point: ( 0.00 0.36 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.247 ( 0.000 8.011 0.735) 8.044 2.632 ( 0.000 6.270 0.989) 6.347 2.682 ( 0.000 10.853 -4.717) 11.834 2.690 ( 0.000 8.246 2.038) 8.494 2.932 ( 0.000 -0.524 0.614) 0.807 3.303 ( 0.000 -10.349 -8.388) 13.322 3.788 ( 0.000 -11.250 10.849) 15.629 4.085 ( 0.000 -10.241 4.939) 11.370 5.135 ( 0.000 18.515 0.817) 18.533 5.254 ( 0.000 20.459 -5.523) 21.191 5.388 ( 0.000 16.656 -6.502) 17.880 5.430 ( 0.000 14.561 -5.119) 15.435 7.111 ( 0.000 -2.562 4.437) 5.123 7.300 ( 0.000 -3.385 -0.098) 3.386 7.731 ( 0.000 4.971 -3.657) 6.171 7.890 ( 0.000 -2.078 3.569) 4.130 8.687 ( 0.000 -1.788 -2.925) 3.428 8.882 ( 0.000 0.216 -11.489) 11.491 9.297 ( 0.000 3.577 -0.534) 3.617 9.720 ( 0.000 -4.114 -7.817) 8.833 9.813 ( 0.000 3.435 3.200) 4.695 9.990 ( 0.000 2.128 -1.662) 2.700 10.248 ( 0.000 -1.995 -2.616) 3.290 10.258 ( 0.000 -3.918 -0.560) 3.958 12.025 ( 0.000 1.053 12.200) 12.245 12.470 ( 0.000 4.845 7.435) 8.874 12.679 ( 0.000 -4.762 3.028) 5.643 12.741 ( 0.000 -5.343 -2.110) 5.744 13.002 ( 0.000 9.847 0.016) 9.847 13.178 ( 0.000 10.994 -0.172) 10.995 13.324 ( 0.000 1.044 -9.057) 9.117 13.510 ( 0.000 6.927 -9.460) 11.725 15.750 ( 0.000 -5.048 4.421) 6.710 15.888 ( 0.000 -9.763 -1.070) 9.822 16.042 ( 0.000 -9.439 5.055) 10.707 16.140 ( 0.000 -12.494 1.222) 12.554 29.215 ( 0.000 11.127 2.541) 11.413 29.352 ( 0.000 8.938 -0.867) 8.980 29.529 ( 0.000 6.860 0.222) 6.864 29.553 ( 0.000 5.612 -0.217) 5.616 31.725 ( 0.000 4.419 0.369) 4.434 31.762 ( 0.000 1.649 -0.671) 1.780 32.161 ( 0.000 -7.071 -0.391) 7.081 32.204 ( 0.000 -6.388 -1.253) 6.510 83.513 ( 0.000 -0.463 3.044) 3.079 83.516 ( 0.000 -1.245 2.518) 2.809 84.162 ( 0.000 -13.298 7.679) 15.356 84.194 ( 0.000 -19.160 7.974) 20.753 ======================= Grid point 251 (89/144) ======================= q-point: ( 0.20 0.36 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.278 ( 3.329 9.252 0.565) 9.849 2.615 ( -4.839 15.245 -0.524) 16.003 2.657 ( 1.629 4.162 0.237) 4.476 2.706 ( 0.183 6.134 -0.142) 6.138 2.959 ( 3.454 -1.394 -0.084) 3.725 3.297 ( -1.655 -8.301 -6.407) 10.616 3.809 ( 2.792 -12.592 9.246) 15.870 4.074 ( -1.517 -11.505 4.786) 12.553 5.134 ( 0.033 19.357 -0.012) 19.357 5.229 ( -2.356 20.924 -5.189) 21.686 5.400 ( 0.948 16.223 -6.169) 17.382 5.429 ( -0.128 14.592 -5.023) 15.433 7.142 ( 3.359 -2.011 4.329) 5.837 7.349 ( 4.757 -2.975 -0.294) 5.618 7.612 ( -9.195 2.513 0.225) 9.535 7.876 ( -4.440 -2.477 -0.415) 5.101 8.684 ( 3.237 1.688 -2.899) 4.662 9.025 ( 11.426 -2.112 -10.603) 15.730 9.215 ( -7.828 3.978 -1.314) 8.878 9.634 ( -7.778 -4.938 -8.026) 12.218 9.889 ( 6.984 4.586 3.045) 8.892 10.051 ( 4.530 1.743 -0.996) 4.955 10.243 ( -0.083 -3.091 -1.383) 3.388 10.272 ( 0.866 -2.195 -2.329) 3.316 12.034 ( 1.178 1.768 12.161) 12.345 12.378 ( -8.261 4.781 8.652) 12.882 12.700 ( 1.375 -6.765 1.919) 7.165 12.739 ( -0.224 -5.267 -1.510) 5.484 13.018 ( 1.543 10.092 -0.014) 10.209 13.156 ( -2.161 11.070 -0.217) 11.281 13.337 ( 1.476 1.777 -9.188) 9.474 13.489 ( -2.178 6.429 -9.495) 11.672 15.784 ( 3.380 -5.400 4.401) 7.743 15.916 ( 2.833 -9.948 -0.673) 10.365 16.018 ( -2.386 -8.938 4.804) 10.424 16.122 ( -1.935 -12.081 1.133) 12.287 29.230 ( 1.518 11.050 2.350) 11.399 29.343 ( -1.037 9.374 -0.393) 9.439 29.526 ( -0.231 6.487 0.081) 6.492 29.547 ( -0.513 5.691 -0.257) 5.719 31.732 ( 0.596 4.120 0.207) 4.168 31.761 ( -0.130 1.881 -0.626) 1.987 32.164 ( 0.333 -7.022 -0.471) 7.046 32.199 ( -0.497 -6.468 -1.169) 6.592 83.523 ( 0.920 -0.382 2.949) 3.113 83.526 ( 0.896 -0.771 2.526) 2.788 84.155 ( -0.588 -14.082 7.729) 16.075 84.181 ( -1.226 -18.898 7.964) 20.545 ======================= Grid point 252 (90/144) ======================= q-point: ( 0.40 0.36 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.370 ( 6.305 11.925 0.142) 13.490 2.500 ( -7.000 14.214 -0.468) 15.851 2.684 ( 1.085 5.705 1.237) 5.937 2.700 ( -0.657 5.262 0.607) 5.337 3.069 ( 7.705 -3.144 -0.986) 8.380 3.215 ( -6.856 -5.093 -2.653) 8.943 3.901 ( 6.403 -14.277 6.036) 16.771 4.014 ( -4.912 -13.655 4.765) 15.274 5.144 ( 1.208 20.869 -1.972) 20.996 5.180 ( -2.475 21.423 -3.963) 21.927 5.416 ( 0.684 15.444 -5.522) 16.416 5.425 ( -0.333 14.843 -5.057) 15.684 7.237 ( 6.699 -0.472 3.831) 7.732 7.378 ( -6.504 1.389 2.037) 6.956 7.539 ( 6.587 -4.012 -0.248) 7.716 7.722 ( -10.487 -3.781 -1.538) 11.254 8.824 ( 10.413 3.860 -2.522) 11.388 9.033 ( -10.984 4.232 -2.243) 11.982 9.249 ( 11.879 -3.710 -10.114) 16.036 9.460 ( -10.450 -4.551 -9.180) 14.635 10.024 ( 6.300 3.759 2.729) 7.827 10.096 ( -0.772 2.590 1.306) 3.002 10.255 ( 1.494 -2.487 -2.506) 3.834 10.278 ( -0.434 -1.760 -3.087) 3.580 12.085 ( 4.611 3.272 11.771) 13.058 12.211 ( -8.530 4.428 10.540) 14.264 12.719 ( 0.743 -8.555 0.509) 8.602 12.732 ( -0.554 -6.821 -0.415) 6.856 13.055 ( 2.397 10.748 -0.169) 11.013 13.106 ( -2.882 11.132 -0.253) 11.502 13.378 ( 2.787 3.414 -9.411) 10.391 13.436 ( -3.171 5.125 -9.516) 11.264 15.864 ( 4.817 -6.449 4.412) 9.179 15.949 ( -3.541 -8.263 4.343) 9.984 15.992 ( 3.604 -9.905 0.237) 10.543 16.067 ( -3.725 -11.148 0.733) 11.777 29.268 ( 2.399 10.782 1.747) 11.183 29.313 ( -2.152 10.209 0.721) 10.458 29.526 ( 0.276 5.950 -0.207) 5.960 29.535 ( -0.684 5.765 -0.315) 5.814 31.745 ( 0.730 3.376 -0.147) 3.457 31.756 ( -0.441 2.522 -0.460) 2.601 32.174 ( 0.620 -6.878 -0.683) 6.939 32.187 ( -0.723 -6.665 -0.949) 6.771 83.540 ( 0.659 -0.044 2.745) 2.823 83.541 ( 0.523 -0.097 2.571) 2.625 84.147 ( -0.070 -16.024 7.846) 17.842 84.157 ( -1.110 -17.914 7.932) 19.623 ======================= Grid point 255 (91/144) ======================= q-point: ( 0.00 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.424 ( 0.000 8.963 -3.592) 9.656 2.629 ( 0.000 -1.090 -4.366) 4.500 2.787 ( 0.000 1.432 -0.109) 1.436 3.007 ( 0.000 10.058 -2.740) 10.425 3.009 ( 0.000 8.120 -1.117) 8.196 3.079 ( 0.000 -6.410 -6.814) 9.355 3.559 ( 0.000 -10.026 8.145) 12.918 3.812 ( 0.000 -14.990 3.767) 15.456 5.461 ( 0.000 12.313 -0.725) 12.334 5.566 ( 0.000 9.280 -3.518) 9.925 5.654 ( 0.000 8.727 -6.764) 11.042 5.655 ( 0.000 7.395 -6.619) 9.925 7.094 ( 0.000 0.954 2.824) 2.981 7.222 ( 0.000 -4.092 -0.120) 4.094 7.826 ( 0.000 3.492 -6.256) 7.165 7.868 ( 0.000 -0.286 0.751) 0.804 8.688 ( 0.000 2.180 -4.595) 5.086 8.855 ( 0.000 -2.991 -11.926) 12.295 9.369 ( 0.000 3.695 -3.898) 5.371 9.572 ( 0.000 -6.792 -5.302) 8.617 9.932 ( 0.000 4.938 0.856) 5.011 10.021 ( 0.000 0.782 -0.663) 1.025 10.177 ( 0.000 -3.290 0.985) 3.434 10.198 ( 0.000 -2.714 -1.312) 3.015 12.085 ( 0.000 5.076 9.884) 11.112 12.459 ( 0.000 -11.912 2.701) 12.215 12.559 ( 0.000 3.671 8.096) 8.889 12.680 ( 0.000 -2.629 6.036) 6.583 13.200 ( 0.000 7.696 -3.113) 8.302 13.337 ( 0.000 0.011 -6.803) 6.803 13.410 ( 0.000 10.238 -0.900) 10.278 13.598 ( 0.000 1.436 -5.804) 5.979 15.676 ( 0.000 -2.108 2.153) 3.013 15.730 ( 0.000 -5.450 -0.237) 5.455 15.896 ( 0.000 -4.691 4.236) 6.321 15.938 ( 0.000 -6.964 2.243) 7.317 29.412 ( 0.000 7.747 1.711) 7.934 29.496 ( 0.000 4.613 -0.398) 4.630 29.629 ( 0.000 2.057 0.911) 2.249 29.630 ( 0.000 2.898 0.732) 2.989 31.813 ( 0.000 3.207 -0.823) 3.311 31.823 ( 0.000 4.903 -0.748) 4.960 32.027 ( 0.000 -5.827 -0.359) 5.838 32.075 ( 0.000 -6.035 -1.270) 6.167 83.508 ( 0.000 0.503 1.954) 2.018 83.524 ( 0.000 1.026 2.091) 2.329 83.898 ( 0.000 -9.518 4.474) 10.517 83.932 ( 0.000 -8.822 4.085) 9.722 ======================= Grid point 256 (92/144) ======================= q-point: ( 0.20 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.469 ( 4.695 9.184 -3.559) 10.911 2.666 ( 3.498 -0.628 -4.354) 5.621 2.786 ( -0.613 3.288 -1.120) 3.527 2.951 ( -4.388 4.659 -3.454) 7.272 3.003 ( 0.471 10.098 -1.046) 10.163 3.139 ( 3.500 -2.984 -3.945) 6.060 3.549 ( -0.277 -11.700 7.390) 13.841 3.784 ( -3.021 -15.538 3.556) 16.224 5.469 ( 0.900 12.526 -1.332) 12.628 5.559 ( -0.897 10.668 -4.260) 11.522 5.641 ( -0.506 7.031 -5.263) 8.797 5.660 ( -0.083 7.733 -6.809) 10.304 7.136 ( 4.412 1.364 2.678) 5.338 7.273 ( 5.366 -4.141 -0.365) 6.788 7.681 ( -11.190 3.804 -1.471) 11.910 7.824 ( -7.132 -2.733 -2.657) 8.087 8.746 ( 6.800 4.489 -5.543) 9.855 8.962 ( 9.487 -4.107 -11.241) 15.272 9.298 ( -6.960 4.308 -4.836) 9.508 9.508 ( -6.329 -6.106 -6.996) 11.238 9.985 ( 5.134 3.922 1.934) 6.744 10.076 ( 4.664 0.382 -0.339) 4.692 10.177 ( 0.307 -2.552 0.878) 2.716 10.219 ( 1.409 -2.781 -1.224) 3.350 12.103 ( 2.137 5.295 10.084) 11.589 12.452 ( -2.955 -4.371 5.409) 7.556 12.495 ( -3.413 -2.704 6.437) 7.771 12.655 ( -2.850 -4.247 5.532) 7.534 13.218 ( 1.807 7.871 -2.946) 8.597 13.360 ( 2.300 0.240 -6.664) 7.054 13.385 ( -2.397 9.887 -1.294) 10.256 13.569 ( -2.879 1.256 -5.987) 6.761 15.704 ( 2.759 -2.308 2.306) 4.273 15.757 ( 2.642 -5.451 0.114) 6.059 15.881 ( -1.595 -4.401 3.947) 6.122 15.927 ( -1.271 -6.771 2.093) 7.200 29.425 ( 1.360 7.694 1.643) 7.984 29.498 ( 0.071 5.287 -0.137) 5.289 29.614 ( -1.029 2.150 0.881) 2.541 29.628 ( -0.580 2.212 0.605) 2.365 31.816 ( 0.346 3.426 -0.794) 3.534 31.825 ( 0.172 4.847 -0.731) 4.904 32.030 ( 0.293 -5.971 -0.489) 5.998 32.069 ( -0.630 -6.090 -1.223) 6.243 83.526 ( 1.749 1.047 1.979) 2.841 83.542 ( 1.719 1.605 2.002) 3.088 83.882 ( -1.497 -10.098 4.484) 11.150 83.913 ( -1.946 -9.362 4.124) 10.413 ======================= Grid point 257 (93/144) ======================= q-point: ( 0.40 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.586 ( 7.173 8.915 -3.480) 11.959 2.704 ( -3.387 5.077 -2.748) 6.693 2.773 ( 2.774 3.713 -4.705) 6.604 2.859 ( -5.122 4.659 -3.742) 7.870 3.058 ( 5.034 4.922 0.902) 7.098 3.148 ( -3.091 1.469 -0.230) 3.430 3.588 ( 4.839 -15.533 4.601) 16.908 3.699 ( -5.851 -16.328 3.339) 17.663 5.495 ( 1.772 12.818 -2.864) 13.253 5.531 ( -1.922 12.474 -4.367) 13.355 5.641 ( 0.432 6.203 -4.698) 7.793 5.652 ( -0.645 6.842 -5.790) 8.986 7.259 ( 8.566 2.472 2.047) 9.147 7.405 ( 4.292 -1.147 -0.960) 4.545 7.474 ( -5.977 0.019 0.730) 6.021 7.635 ( -11.550 -4.550 -2.057) 12.583 8.923 ( 10.990 5.637 -6.318) 13.873 9.129 ( -10.291 5.117 -6.094) 13.009 9.160 ( 10.662 -4.845 -10.495) 15.726 9.355 ( -9.597 -5.380 -9.180) 14.329 10.088 ( 4.849 2.454 2.315) 5.907 10.139 ( 0.249 1.621 1.275) 2.078 10.196 ( 2.211 -2.964 -0.223) 3.704 10.230 ( -0.601 -2.656 -1.136) 2.950 12.174 ( 5.633 5.669 10.305) 13.041 12.312 ( -8.568 5.434 9.799) 14.105 12.512 ( 2.847 -10.048 3.932) 11.160 12.582 ( -4.330 -7.384 4.732) 9.781 13.264 ( 3.004 8.427 -2.512) 9.293 13.326 ( -3.441 9.205 -1.856) 10.001 13.421 ( 3.907 0.517 -6.644) 7.725 13.500 ( -4.234 0.864 -6.357) 7.687 15.767 ( 3.668 -2.844 2.725) 5.382 15.813 ( 1.760 -4.830 1.552) 5.370 15.843 ( -1.073 -4.532 2.665) 5.365 15.888 ( -2.813 -6.280 1.614) 7.068 29.458 ( 1.995 7.525 1.374) 7.906 29.490 ( -1.126 6.850 0.681) 6.976 29.602 ( -0.060 1.385 0.571) 1.499 29.612 ( -0.919 1.626 0.425) 1.915 31.823 ( 0.337 3.983 -0.736) 4.065 31.827 ( -0.012 4.559 -0.710) 4.614 32.039 ( 0.675 -6.190 -0.788) 6.276 32.054 ( -0.888 -6.201 -1.065) 6.354 83.563 ( 1.702 2.470 1.924) 3.564 83.572 ( 0.890 2.909 1.864) 3.568 83.857 ( -0.620 -11.354 4.481) 12.222 83.871 ( -1.955 -10.830 4.292) 11.813 ======================= Grid point 260 (94/144) ======================= q-point: ( 0.00 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.579 ( 0.000 -4.833 -5.044) 6.986 2.579 ( 0.000 4.833 -5.044) 6.986 2.851 ( 0.000 -6.888 -4.906) 8.457 2.851 ( 0.000 6.888 -4.906) 8.457 3.176 ( 0.000 -4.752 -1.217) 4.906 3.176 ( 0.000 4.752 -1.217) 4.906 3.521 ( 0.000 -10.369 5.063) 11.539 3.521 ( 0.000 10.369 5.063) 11.539 5.623 ( 0.000 -3.141 -1.689) 3.566 5.623 ( 0.000 3.141 -1.689) 3.566 5.739 ( 0.000 -0.332 -7.222) 7.230 5.739 ( 0.000 0.332 -7.222) 7.230 7.142 ( 0.000 -3.407 1.004) 3.552 7.142 ( 0.000 3.407 1.004) 3.552 7.864 ( 0.000 -0.530 -3.541) 3.581 7.864 ( 0.000 0.530 -3.541) 3.581 8.768 ( 0.000 -4.865 -9.027) 10.255 8.768 ( 0.000 4.865 -9.027) 10.255 9.455 ( 0.000 -4.779 -5.499) 7.286 9.455 ( 0.000 4.779 -5.499) 7.286 10.007 ( 0.000 -2.357 0.276) 2.373 10.007 ( 0.000 2.357 0.276) 2.373 10.153 ( 0.000 -1.074 0.605) 1.233 10.153 ( 0.000 1.074 0.605) 1.233 12.236 ( 0.000 -9.402 6.583) 11.477 12.236 ( 0.000 9.402 6.583) 11.477 12.624 ( 0.000 -2.846 7.576) 8.093 12.624 ( 0.000 2.846 7.576) 8.093 13.309 ( 0.000 -3.062 -4.671) 5.585 13.309 ( 0.000 3.062 -4.671) 5.585 13.566 ( 0.000 -4.628 -2.899) 5.461 13.566 ( 0.000 4.628 -2.899) 5.461 15.665 ( 0.000 -1.117 0.758) 1.350 15.665 ( 0.000 1.117 0.758) 1.350 15.856 ( 0.000 -0.970 3.324) 3.463 15.856 ( 0.000 0.970 3.324) 3.463 29.520 ( 0.000 -2.419 0.614) 2.496 29.520 ( 0.000 2.419 0.614) 2.496 29.653 ( 0.000 -0.351 1.081) 1.137 29.653 ( 0.000 0.351 1.081) 1.137 31.882 ( 0.000 -2.121 -1.219) 2.446 31.882 ( 0.000 2.121 -1.219) 2.446 31.967 ( 0.000 -3.035 -0.604) 3.094 31.967 ( 0.000 3.035 -0.604) 3.094 83.529 ( 0.000 -0.883 2.099) 2.277 83.529 ( 0.000 0.883 2.099) 2.277 83.817 ( 0.000 -1.603 2.706) 3.146 83.817 ( 0.000 1.603 2.706) 3.146 ======================= Grid point 262 (95/144) ======================= q-point: ( 0.20 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.623 ( 4.359 -4.581 -5.304) 8.253 2.623 ( 4.359 4.581 -5.304) 8.253 2.860 ( 0.211 -5.964 -5.199) 7.915 2.860 ( 0.211 5.964 -5.199) 7.915 3.185 ( 1.482 -5.580 -0.212) 5.777 3.185 ( 1.482 5.580 -0.212) 5.777 3.484 ( -3.951 -10.673 4.704) 12.315 3.484 ( -3.951 10.673 4.704) 12.315 5.633 ( 1.039 -3.048 -2.222) 3.912 5.633 ( 1.039 3.048 -2.222) 3.912 5.728 ( -1.222 -1.133 -6.718) 6.922 5.728 ( -1.222 1.133 -6.718) 6.922 7.190 ( 5.087 -3.647 0.844) 6.316 7.190 ( 5.087 3.647 0.844) 6.316 7.759 ( -10.012 -3.614 -2.669) 10.973 7.759 ( -10.012 3.614 -2.669) 10.973 8.858 ( 8.490 -5.780 -9.332) 13.877 8.858 ( 8.490 5.780 -9.332) 13.877 9.394 ( -6.102 -5.047 -6.813) 10.446 9.394 ( -6.102 5.047 -6.813) 10.446 10.051 ( 4.146 -2.555 0.992) 4.970 10.051 ( 4.146 2.556 0.992) 4.970 10.169 ( 1.341 -1.605 0.525) 2.157 10.169 ( 1.341 1.605 0.525) 2.157 12.253 ( 2.029 -9.133 6.910) 11.631 12.253 ( 2.029 9.133 6.910) 11.631 12.567 ( -5.646 -4.258 7.702) 10.456 12.567 ( -5.646 4.258 7.702) 10.456 13.331 ( 2.265 -3.252 -4.576) 6.054 13.331 ( 2.265 3.252 -4.576) 6.054 13.536 ( -2.943 -4.520 -3.185) 6.264 13.536 ( -2.943 4.520 -3.185) 6.264 15.691 ( 2.607 -1.143 1.032) 3.027 15.691 ( 2.607 1.143 1.032) 3.027 15.845 ( -1.193 -1.109 3.085) 3.489 15.845 ( -1.193 1.109 3.085) 3.489 29.533 ( 1.264 -2.277 0.663) 2.687 29.533 ( 1.264 2.277 0.663) 2.687 29.640 ( -1.340 -0.726 1.041) 1.846 29.640 ( -1.340 0.726 1.041) 1.846 31.891 ( 0.875 -2.196 -1.164) 2.635 31.891 ( 0.875 2.196 -1.164) 2.635 31.960 ( -0.801 -2.936 -0.667) 3.115 31.960 ( -0.801 2.936 -0.667) 3.115 83.556 ( 2.839 -1.013 2.155) 3.705 83.556 ( 2.839 1.013 2.155) 3.705 83.789 ( -2.826 -1.571 2.646) 4.178 83.789 ( -2.826 1.571 2.646) 4.178 ======================= Grid point 264 (96/144) ======================= q-point: ( 0.40 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.726 ( 6.081 -3.935 -5.717) 9.228 2.726 ( 6.081 3.935 -5.717) 9.228 2.827 ( -4.009 -4.005 -5.762) 8.082 2.827 ( -4.009 4.005 -5.762) 8.082 3.255 ( 5.902 -9.057 1.960) 10.987 3.255 ( 5.902 9.057 1.960) 10.987 3.380 ( -6.688 -10.781 3.657) 13.203 3.380 ( -6.688 10.781 3.657) 13.203 5.661 ( 1.807 -2.703 -3.627) 4.871 5.661 ( 1.807 2.703 -3.627) 4.871 5.697 ( -1.923 -2.044 -5.356) 6.047 5.697 ( -1.923 2.044 -5.356) 6.047 7.330 ( 9.650 -4.183 0.209) 10.519 7.330 ( 9.650 4.183 0.209) 10.519 7.540 ( -12.186 -4.503 -1.060) 13.035 7.540 ( -12.186 4.503 -1.060) 13.035 9.046 ( 10.793 -6.029 -9.457) 15.565 9.046 ( 10.793 6.029 -9.457) 15.565 9.242 ( -9.671 -5.568 -8.641) 14.114 9.242 ( -9.671 5.568 -8.641) 14.114 10.134 ( 3.995 -2.241 1.260) 4.750 10.134 ( 3.995 2.241 1.260) 4.750 10.180 ( -0.706 -1.919 0.765) 2.183 10.180 ( -0.706 1.919 0.765) 2.183 12.319 ( 5.046 -8.203 7.547) 12.235 12.319 ( 5.046 8.203 7.547) 12.235 12.438 ( -7.285 -6.478 7.846) 12.514 12.438 ( -7.285 6.478 7.846) 12.514 13.389 ( 3.764 -3.709 -4.297) 6.811 13.389 ( 3.764 3.709 -4.297) 6.811 13.466 ( -4.210 -4.194 -3.787) 7.047 13.466 ( -4.210 4.194 -3.787) 7.047 15.751 ( 3.458 -1.215 1.699) 4.040 15.751 ( 3.458 1.215 1.699) 4.040 15.810 ( -2.600 -1.246 2.470) 3.797 15.810 ( -2.600 1.246 2.470) 3.797 29.565 ( 2.081 -1.880 0.787) 2.913 29.565 ( 2.081 1.880 0.787) 2.913 29.606 ( -2.128 -1.321 0.931) 2.672 29.606 ( -2.128 1.321 0.931) 2.672 31.913 ( 1.378 -2.405 -1.017) 2.953 31.913 ( 1.378 2.405 -1.017) 2.953 31.939 ( -1.332 -2.688 -0.828) 3.112 31.939 ( -1.332 2.688 -0.828) 3.112 83.628 ( 4.587 -1.262 2.303) 5.285 83.628 ( 4.587 1.262 2.303) 5.285 83.717 ( -4.579 -1.463 2.491) 5.414 83.717 ( -4.579 1.463 2.491) 5.414 ======================= Grid point 300 (97/144) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.513 ( 0.000 0.000 11.392) 11.392 1.689 ( 0.000 0.000 14.977) 14.977 1.864 ( 0.000 0.000 -5.321) 5.321 2.152 ( 0.000 0.000 -8.241) 8.241 2.446 ( 0.000 0.000 7.364) 7.364 2.705 ( 0.000 0.000 -5.230) 5.230 2.823 ( 0.000 0.000 11.203) 11.203 2.964 ( 0.000 0.000 0.388) 0.388 3.842 ( 0.000 0.000 5.386) 5.386 3.996 ( 0.000 0.000 -1.040) 1.040 4.956 ( 0.000 0.000 12.093) 12.093 5.187 ( 0.000 0.000 1.305) 1.305 7.358 ( 0.000 0.000 3.263) 3.263 7.482 ( 0.000 0.000 -2.636) 2.636 7.596 ( 0.000 0.000 5.899) 5.899 7.760 ( 0.000 0.000 -3.693) 3.693 8.349 ( 0.000 0.000 1.602) 1.602 8.422 ( 0.000 0.000 -1.965) 1.965 8.565 ( 0.000 0.000 2.938) 2.938 8.644 ( 0.000 0.000 -2.789) 2.789 9.965 ( 0.000 0.000 -6.915) 6.915 10.075 ( 0.000 0.000 -11.325) 11.325 10.542 ( 0.000 0.000 11.587) 11.587 11.043 ( 0.000 0.000 -15.613) 15.613 11.911 ( 0.000 0.000 1.813) 1.813 11.969 ( 0.000 0.000 -0.972) 0.972 11.998 ( 0.000 0.000 2.059) 2.059 12.074 ( 0.000 0.000 -1.556) 1.556 12.691 ( 0.000 0.000 10.895) 10.895 12.910 ( 0.000 0.000 -2.032) 2.032 12.911 ( 0.000 0.000 10.177) 10.177 13.522 ( 0.000 0.000 -16.848) 16.848 16.623 ( 0.000 0.000 11.676) 11.676 16.861 ( 0.000 0.000 -2.558) 2.558 17.445 ( 0.000 0.000 1.458) 1.458 17.509 ( 0.000 0.000 -1.797) 1.797 28.345 ( 0.000 0.000 7.017) 7.017 28.389 ( 0.000 0.000 5.160) 5.160 28.619 ( 0.000 0.000 -4.626) 4.626 28.648 ( 0.000 0.000 -6.101) 6.101 31.627 ( 0.000 0.000 5.825) 5.825 31.805 ( 0.000 0.000 -2.416) 2.416 32.668 ( 0.000 0.000 0.421) 0.421 32.699 ( 0.000 0.000 -1.091) 1.091 83.934 ( 0.000 0.000 10.267) 10.267 84.131 ( 0.000 0.000 1.947) 1.947 86.211 ( 0.000 0.000 29.738) 29.738 87.320 ( 0.000 0.000 -24.210) 24.210 ======================= Grid point 301 (98/144) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( -4.322 0.000 9.041) 10.021 1.725 ( 3.733 0.000 13.396) 13.907 1.740 ( -11.383 0.000 -4.250) 12.150 2.086 ( -6.094 0.000 -3.219) 6.892 2.495 ( 4.223 0.000 3.213) 5.306 2.690 ( -1.569 0.000 -4.836) 5.084 2.882 ( 5.408 0.000 9.952) 11.327 3.019 ( 4.042 0.000 0.359) 4.058 3.851 ( 2.366 0.000 8.034) 8.375 4.046 ( 3.362 0.000 -0.668) 3.428 4.945 ( -0.698 0.000 10.718) 10.741 5.145 ( -4.251 0.000 1.543) 4.523 7.369 ( 1.141 0.000 2.786) 3.011 7.469 ( -1.303 0.000 -1.964) 2.357 7.627 ( 3.261 0.000 5.880) 6.723 7.788 ( 2.063 0.000 -2.426) 3.185 8.357 ( 0.793 0.000 1.155) 1.402 8.416 ( -0.656 0.000 -1.709) 1.830 8.518 ( -2.194 0.000 2.614) 3.413 8.672 ( 0.380 0.000 -5.496) 5.509 9.986 ( 3.354 0.000 -4.039) 5.250 10.190 ( 10.715 0.000 -12.248) 16.273 10.476 ( -6.310 0.000 10.347) 12.119 10.980 ( -6.858 0.000 -16.430) 17.804 11.916 ( 0.472 0.000 1.774) 1.835 11.960 ( -0.768 0.000 0.238) 0.804 12.009 ( 0.949 0.000 0.770) 1.222 12.067 ( -0.636 0.000 -1.437) 1.572 12.676 ( -1.040 0.000 11.545) 11.592 12.796 ( -5.129 0.000 10.537) 11.719 13.068 ( 9.242 0.000 -3.127) 9.756 13.488 ( -3.554 0.000 -15.971) 16.361 16.704 ( 8.309 0.000 10.758) 13.593 16.919 ( 5.936 0.000 -2.181) 6.324 17.389 ( -5.911 0.000 0.774) 5.962 17.421 ( -8.799 0.000 0.164) 8.801 28.348 ( 0.399 0.000 6.858) 6.870 28.384 ( -0.478 0.000 5.361) 5.382 28.622 ( 0.326 0.000 -4.790) 4.801 28.646 ( -0.247 0.000 -5.979) 5.984 31.651 ( 2.326 0.000 4.600) 5.155 31.794 ( -1.248 0.000 -1.956) 2.320 32.670 ( 0.182 0.000 0.348) 0.393 32.696 ( -0.391 0.000 -0.917) 0.997 83.946 ( 1.343 0.000 10.065) 10.154 84.105 ( -2.609 0.000 3.598) 4.444 86.298 ( 9.139 0.000 24.750) 26.384 87.190 ( -13.103 0.000 -18.133) 22.372 ======================= Grid point 302 (99/144) ======================= q-point: ( 0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( 1.005 0.000 3.757) 3.889 1.522 ( -9.891 0.000 -1.264) 9.972 1.822 ( 6.384 0.000 9.217) 11.212 1.954 ( -7.376 0.000 3.495) 8.162 2.577 ( 4.220 0.000 -1.097) 4.360 2.646 ( -3.048 0.000 -3.564) 4.689 2.989 ( 5.214 0.000 6.584) 8.398 3.053 ( -1.012 0.000 2.448) 2.649 3.948 ( 7.125 0.000 8.728) 11.267 4.058 ( -3.037 0.000 3.908) 4.949 4.959 ( 2.748 0.000 6.468) 7.027 5.045 ( -5.756 0.000 2.775) 6.390 7.399 ( 1.915 0.000 1.466) 2.411 7.437 ( -2.014 0.000 -0.335) 2.041 7.710 ( 5.173 0.000 5.206) 7.339 7.791 ( -2.461 0.000 1.920) 3.121 8.376 ( 1.202 0.000 0.113) 1.208 8.399 ( -1.119 0.000 -0.968) 1.480 8.533 ( 3.898 0.000 -2.405) 4.580 8.628 ( -4.742 0.000 -6.746) 8.246 10.100 ( 8.397 0.000 1.735) 8.575 10.272 ( -8.253 0.000 5.176) 9.742 10.496 ( 14.497 0.000 -12.770) 19.320 10.783 ( -13.849 0.000 -16.736) 21.723 11.928 ( 0.797 0.000 1.611) 1.797 11.944 ( -0.899 0.000 1.185) 1.488 12.029 ( 1.183 0.000 -0.385) 1.244 12.051 ( -1.070 0.000 -1.067) 1.511 12.672 ( 0.963 0.000 13.121) 13.156 12.715 ( -3.464 0.000 13.346) 13.788 13.242 ( 8.952 0.000 -9.006) 12.698 13.391 ( -6.698 0.000 -13.338) 14.925 16.917 ( 13.764 0.000 8.085) 15.963 17.068 ( 9.311 0.000 -0.850) 9.350 17.190 ( -14.062 0.000 3.306) 14.446 17.250 ( -9.298 0.000 0.137) 9.299 28.359 ( 0.677 0.000 6.427) 6.462 28.372 ( -0.724 0.000 5.858) 5.902 28.630 ( 0.478 0.000 -5.192) 5.214 28.639 ( -0.431 0.000 -5.643) 5.659 31.704 ( 3.123 0.000 1.937) 3.674 31.759 ( -2.465 0.000 -0.501) 2.515 32.676 ( 0.450 0.000 0.052) 0.453 32.686 ( -0.580 0.000 -0.457) 0.738 83.984 ( 2.719 0.000 9.098) 9.496 84.044 ( -3.485 0.000 6.781) 7.624 86.541 ( 16.195 0.000 12.140) 20.240 86.878 ( -18.605 0.000 -3.788) 18.987 ======================= Grid point 305 (100/144) ======================= q-point: ( 0.00 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( 0.000 5.724 10.098) 11.608 1.828 ( 0.000 4.251 2.529) 4.946 1.989 ( 0.000 18.107 6.789) 19.338 2.345 ( 0.000 15.567 -6.569) 16.896 2.583 ( 0.000 11.708 7.509) 13.909 2.843 ( 0.000 11.929 -5.265) 13.039 2.908 ( 0.000 8.928 9.235) 12.845 3.044 ( 0.000 9.438 -0.950) 9.486 3.869 ( 0.000 3.249 4.904) 5.883 4.005 ( 0.000 1.140 -0.571) 1.275 4.929 ( 0.000 -2.660 11.588) 11.889 5.157 ( 0.000 -2.968 0.989) 3.128 7.437 ( 0.000 3.340 3.067) 4.535 7.504 ( 0.000 0.918 -0.661) 1.131 7.654 ( 0.000 7.954 5.093) 9.445 7.826 ( 0.000 6.629 -3.799) 7.640 8.393 ( 0.000 3.584 3.418) 4.953 8.513 ( 0.000 7.805 -2.404) 8.167 8.573 ( 0.000 1.636 2.020) 2.599 8.690 ( 0.000 5.341 -5.452) 7.632 9.944 ( 0.000 -1.904 -6.125) 6.414 10.023 ( 0.000 -4.584 -9.239) 10.313 10.510 ( 0.000 -2.914 10.270) 10.676 10.932 ( 0.000 -9.565 -11.993) 15.340 11.935 ( 0.000 1.005 1.293) 1.638 12.003 ( 0.000 -3.654 -1.195) 3.844 12.031 ( 0.000 5.304 1.308) 5.463 12.098 ( 0.000 10.432 -2.938) 10.838 12.694 ( 0.000 -0.546 12.956) 12.967 12.939 ( 0.000 2.235 -1.358) 2.615 12.992 ( 0.000 6.593 4.813) 8.163 13.485 ( 0.000 -3.610 -15.621) 16.033 16.567 ( 0.000 -5.316 11.024) 12.239 16.795 ( 0.000 -6.309 -2.530) 6.798 17.357 ( 0.000 -8.342 1.149) 8.421 17.396 ( 0.000 -10.588 -0.661) 10.609 28.404 ( 0.000 5.587 6.637) 8.675 28.464 ( 0.000 6.919 4.032) 8.008 28.683 ( 0.000 6.081 -4.171) 7.374 28.709 ( 0.000 5.865 -5.736) 8.203 31.628 ( 0.000 0.118 5.488) 5.489 31.795 ( 0.000 -0.966 -2.225) 2.426 32.641 ( 0.000 -2.610 0.321) 2.630 32.668 ( 0.000 -2.981 -0.991) 3.141 83.905 ( 0.000 -2.717 9.494) 9.875 84.075 ( 0.000 -5.206 2.420) 5.741 86.066 ( 0.000 -13.604 27.610) 30.780 87.034 ( 0.000 -26.251 -18.370) 32.040 ======================= Grid point 306 (101/144) ======================= q-point: ( 0.20 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( -4.340 5.793 8.190) 10.930 1.739 ( -9.331 2.199 -1.300) 9.675 1.994 ( 2.319 21.027 10.629) 23.675 2.304 ( -4.430 17.783 -2.495) 18.495 2.639 ( 5.024 12.461 3.458) 13.873 2.838 ( -0.713 12.716 -4.788) 13.607 2.945 ( 3.566 7.013 8.221) 11.379 3.075 ( 2.253 6.970 -0.642) 7.353 3.880 ( 2.552 3.391 7.486) 8.605 4.060 ( 3.742 1.582 -0.500) 4.094 4.916 ( -0.831 -2.799 10.303) 10.709 5.114 ( -4.255 -2.972 1.211) 5.329 7.458 ( 2.081 4.644 2.870) 5.843 7.516 ( 0.979 2.987 -0.323) 3.160 7.658 ( 0.647 5.039 5.248) 7.304 7.820 ( -1.142 3.580 -2.105) 4.308 8.396 ( 0.887 3.186 3.420) 4.757 8.506 ( -0.702 8.227 -1.868) 8.465 8.570 ( 0.331 5.321 0.089) 5.332 8.708 ( 0.559 4.439 -7.429) 8.672 9.967 ( 3.437 -1.753 -3.731) 5.367 10.131 ( 10.231 -5.394 -10.253) 15.456 10.442 ( -6.744 -3.043 9.451) 12.003 10.869 ( -6.833 -9.690 -12.719) 17.389 11.940 ( 0.634 0.646 1.728) 1.951 12.011 ( -0.027 2.325 -0.142) 2.330 12.025 ( 0.148 1.064 0.638) 1.249 12.097 ( -0.314 9.259 -2.906) 9.710 12.690 ( -0.133 0.245 12.779) 12.782 12.848 ( -5.378 4.450 5.094) 8.642 13.105 ( 7.619 3.003 -2.466) 8.553 13.456 ( -3.020 -3.164 -14.697) 15.334 16.643 ( 7.842 -5.737 10.180) 14.072 16.851 ( 5.737 -6.496 -2.215) 8.945 17.300 ( -6.511 -8.704 0.530) 10.882 17.318 ( -7.324 -9.415 1.075) 11.977 28.409 ( 0.527 5.693 6.438) 8.611 28.457 ( -0.672 6.762 4.353) 8.070 28.686 ( 0.303 6.062 -4.359) 7.473 28.707 ( -0.219 5.881 -5.610) 8.131 31.650 ( 2.145 -0.055 4.366) 4.865 31.784 ( -1.190 -0.915 -1.784) 2.332 32.642 ( 0.159 -2.630 0.264) 2.648 32.665 ( -0.338 -2.932 -0.836) 3.067 83.916 ( 1.183 -2.849 9.325) 9.822 84.053 ( -2.212 -4.833 3.803) 6.536 86.144 ( 8.097 -14.513 23.260) 28.587 86.923 ( -11.249 -24.602 -13.387) 30.183 ======================= Grid point 307 (102/144) ======================= q-point: ( 0.40 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( 0.293 5.492 4.091) 6.855 1.554 ( -8.389 3.924 0.135) 9.262 2.075 ( 5.804 20.991 8.449) 23.360 2.195 ( -6.562 19.981 3.470) 21.316 2.735 ( 4.658 13.800 -1.146) 14.610 2.806 ( -2.798 13.928 -3.712) 14.683 3.025 ( 4.375 4.360 5.581) 8.324 3.086 ( -1.545 4.297 1.639) 4.851 3.978 ( 6.876 3.287 8.126) 11.141 4.080 ( -2.537 2.468 3.641) 5.078 4.927 ( 2.686 -3.040 6.146) 7.364 5.014 ( -5.798 -3.030 2.436) 6.981 7.502 ( 2.150 7.795 1.848) 8.294 7.526 ( -0.289 7.201 0.509) 7.225 7.693 ( 3.253 -1.171 5.226) 6.266 7.769 ( -4.099 -1.796 2.442) 5.098 8.437 ( 2.986 5.326 1.161) 6.215 8.484 ( -1.760 7.711 -0.623) 7.934 8.603 ( 3.330 7.128 -4.413) 9.020 8.678 ( -3.632 5.563 -8.244) 10.588 10.080 ( 8.325 -1.788 1.307) 8.615 10.252 ( -8.017 -1.755 4.287) 9.259 10.405 ( 13.334 -8.308 -9.994) 18.620 10.677 ( -13.262 -9.371 -13.286) 20.981 11.960 ( 1.457 1.627 2.214) 3.110 11.990 ( -1.548 3.900 1.939) 4.623 12.048 ( 1.706 1.778 -1.065) 2.684 12.080 ( -1.490 5.941 -2.068) 6.464 12.703 ( 1.780 2.173 11.360) 11.702 12.758 ( -4.019 3.946 8.631) 10.306 13.250 ( 7.440 0.310 -7.766) 10.759 13.374 ( -5.634 -1.835 -11.991) 13.375 16.845 ( 12.937 -6.918 7.701) 16.569 16.995 ( 9.067 -7.007 -1.360) 11.539 17.099 ( -13.235 -8.495 4.093) 16.250 17.170 ( -8.927 -7.610 0.066) 11.731 28.422 ( 0.905 5.986 5.882) 8.441 28.441 ( -0.992 6.390 5.099) 8.234 28.693 ( 0.430 6.005 -4.797) 7.698 28.701 ( -0.381 5.932 -5.267) 7.942 31.700 ( 2.910 -0.422 1.899) 3.501 31.750 ( -2.327 -0.741 -0.396) 2.474 32.648 ( 0.396 -2.699 0.014) 2.728 32.657 ( -0.508 -2.815 -0.430) 2.893 83.949 ( 2.369 -3.282 8.495) 9.410 84.001 ( -2.994 -4.022 6.503) 8.211 86.358 ( 14.258 -17.086 12.281) 25.418 86.653 ( -16.180 -20.855 -1.388) 26.432 ======================= Grid point 310 (103/144) ======================= q-point: ( 0.00 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( 0.000 10.835 7.134) 12.973 1.910 ( 0.000 5.144 0.150) 5.146 2.350 ( 0.000 11.781 9.891) 15.383 2.594 ( 0.000 6.077 -2.656) 6.632 2.892 ( 0.000 16.188 7.336) 17.773 3.163 ( 0.000 17.135 -5.884) 18.117 3.202 ( 0.000 20.180 5.863) 21.014 3.392 ( 0.000 23.856 -5.062) 24.387 4.021 ( 0.000 12.859 3.100) 13.227 4.071 ( 0.000 6.323 1.669) 6.539 4.853 ( 0.000 -4.355 9.600) 10.541 5.067 ( 0.000 -5.725 -0.040) 5.726 7.428 ( 0.000 -2.802 3.983) 4.870 7.493 ( 0.000 -1.871 0.617) 1.970 7.850 ( 0.000 6.301 5.613) 8.438 7.982 ( 0.000 6.249 -1.243) 6.371 8.488 ( 0.000 6.283 1.697) 6.508 8.599 ( 0.000 3.192 -2.138) 3.842 8.762 ( 0.000 13.525 -1.027) 13.564 8.887 ( 0.000 13.257 -7.564) 15.263 9.898 ( 0.000 -2.139 -4.328) 4.827 9.922 ( 0.000 -4.123 -5.718) 7.050 10.435 ( 0.000 -4.018 6.751) 7.857 10.700 ( 0.000 -12.204 -6.319) 13.743 11.982 ( 0.000 2.431 0.178) 2.438 11.987 ( 0.000 5.459 -1.303) 5.612 12.217 ( 0.000 11.861 2.002) 12.029 12.357 ( 0.000 12.896 -4.893) 13.793 12.674 ( 0.000 -0.314 11.728) 11.732 12.975 ( 0.000 0.876 -0.980) 1.315 13.114 ( 0.000 4.288 -0.741) 4.352 13.376 ( 0.000 -6.905 -12.230) 14.045 16.415 ( 0.000 -9.144 9.242) 13.001 16.613 ( 0.000 -11.090 -2.372) 11.341 17.102 ( 0.000 -17.140 1.583) 17.213 17.117 ( 0.000 -14.465 0.425) 14.471 28.564 ( 0.000 9.683 5.644) 11.208 28.650 ( 0.000 10.641 1.643) 10.767 28.858 ( 0.000 10.572 -2.997) 10.989 28.882 ( 0.000 10.585 -4.590) 11.537 31.633 ( 0.000 0.433 4.555) 4.576 31.769 ( 0.000 -1.391 -1.759) 2.242 32.564 ( 0.000 -4.760 0.044) 4.761 32.581 ( 0.000 -5.387 -0.741) 5.438 83.828 ( 0.000 -4.541 7.520) 8.785 83.935 ( 0.000 -7.937 3.304) 8.598 85.686 ( 0.000 -22.403 22.171) 31.519 86.342 ( 0.000 -38.429 -7.398) 39.135 ======================= Grid point 311 (104/144) ======================= q-point: ( 0.20 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( -4.165 10.879 6.034) 13.119 1.830 ( -7.447 6.585 -0.170) 9.942 2.385 ( 3.868 12.821 10.661) 17.118 2.614 ( 0.360 8.575 -0.600) 8.603 2.933 ( 4.306 14.030 5.091) 15.534 3.150 ( -1.474 15.107 -4.698) 15.890 3.213 ( 1.506 21.409 4.939) 22.023 3.384 ( -1.193 22.968 -4.718) 23.478 4.029 ( 2.562 11.927 5.632) 13.436 4.141 ( 4.820 7.622 0.331) 9.025 4.835 ( -1.358 -4.749 8.618) 9.933 5.024 ( -4.316 -5.759 0.158) 7.198 7.461 ( 3.602 -2.796 4.478) 6.391 7.535 ( 4.201 -1.211 0.672) 4.423 7.798 ( -4.813 3.959 5.423) 8.261 7.925 ( -6.201 5.242 -0.585) 8.141 8.489 ( 2.637 6.014 3.628) 7.503 8.692 ( 6.144 7.991 -5.052) 11.275 8.744 ( -1.558 12.057 -0.460) 12.166 8.895 ( 0.352 13.310 -8.935) 16.035 9.927 ( 3.620 -1.617 -3.396) 5.220 10.001 ( 7.977 -6.109 -5.756) 11.580 10.369 ( -6.691 -3.614 6.121) 9.762 10.636 ( -6.738 -11.936 -6.829) 15.313 11.963 ( 0.616 3.251 2.175) 3.960 12.058 ( 4.684 5.613 -2.278) 7.658 12.184 ( -3.310 10.261 2.774) 11.133 12.328 ( -3.047 11.471 -3.960) 12.512 12.697 ( 2.495 1.685 9.461) 9.929 12.931 ( -3.866 3.005 0.109) 4.898 13.156 ( 3.702 1.329 -2.471) 4.645 13.357 ( -1.904 -6.405 -11.349) 13.170 16.479 ( 6.605 -9.830 8.595) 14.633 16.663 ( 5.159 -11.425 -2.184) 12.725 17.033 ( -6.882 -16.133 2.400) 17.702 17.074 ( -4.683 -14.190 0.383) 14.948 28.571 ( 0.775 9.795 5.365) 11.195 28.641 ( -0.937 10.585 2.173) 10.847 28.860 ( 0.240 10.521 -3.230) 11.008 28.879 ( -0.227 10.550 -4.474) 11.462 31.650 ( 1.691 0.170 3.681) 4.055 31.760 ( -1.016 -1.287 -1.378) 2.142 32.565 ( 0.088 -4.805 0.028) 4.806 32.579 ( -0.201 -5.306 -0.640) 5.348 83.836 ( 0.824 -4.705 7.432) 8.835 83.922 ( -1.267 -7.415 4.094) 8.564 85.739 ( 5.626 -23.693 19.257) 31.045 86.269 ( -7.403 -36.542 -4.451) 37.549 ======================= Grid point 312 (105/144) ======================= q-point: ( 0.40 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( -0.557 10.780 3.701) 11.412 1.691 ( -5.896 9.246 1.241) 11.036 2.479 ( 5.608 13.735 8.932) 17.317 2.576 ( -4.112 12.456 4.583) 13.895 3.029 ( 5.004 11.943 0.935) 12.983 3.106 ( -3.202 12.708 -2.114) 13.274 3.265 ( 3.830 21.913 1.633) 22.305 3.339 ( -3.527 21.945 -2.395) 22.356 4.116 ( 5.660 11.012 6.050) 13.780 4.189 ( -0.855 9.164 2.799) 9.620 4.836 ( 2.317 -5.683 4.914) 7.862 4.922 ( -5.930 -5.886 1.310) 8.457 7.560 ( 6.682 -2.670 5.117) 8.830 7.637 ( 6.319 0.454 1.289) 6.465 7.690 ( -6.416 0.357 4.965) 8.120 7.777 ( -8.392 3.581 1.060) 9.186 8.580 ( 5.933 8.183 2.520) 10.417 8.679 ( -4.210 10.528 0.724) 11.361 8.808 ( 4.871 11.660 -7.770) 14.834 8.878 ( -2.421 13.215 -9.808) 16.634 10.036 ( 7.846 -2.158 0.029) 8.137 10.196 ( 1.301 -8.958 0.112) 9.053 10.219 ( 2.207 -2.721 -3.080) 4.665 10.455 ( -12.088 -10.760 -7.488) 17.831 12.008 ( 3.979 4.066 4.180) 7.060 12.097 ( -4.837 6.757 3.992) 9.219 12.156 ( 4.863 7.646 -2.533) 9.409 12.250 ( -4.868 9.543 -2.856) 11.087 12.763 ( 4.280 4.203 5.289) 7.997 12.849 ( -4.677 4.549 2.116) 6.859 13.233 ( 4.228 -2.281 -5.642) 7.410 13.307 ( -3.420 -4.887 -8.936) 10.744 16.647 ( 10.703 -11.752 6.658) 17.234 16.789 ( 6.760 -12.722 -2.004) 14.546 16.865 ( -9.490 -13.563 5.158) 17.339 16.952 ( -7.854 -13.119 -0.114) 15.291 28.591 ( 1.319 10.076 4.559) 11.138 28.618 ( -1.416 10.387 3.366) 11.010 28.866 ( 0.371 10.459 -3.715) 11.106 28.874 ( -0.364 10.481 -4.164) 11.284 31.690 ( 2.353 -0.413 1.711) 2.939 31.732 ( -1.940 -0.958 -0.191) 2.172 32.568 ( 0.251 -4.931 -0.100) 4.939 32.574 ( -0.320 -5.120 -0.375) 5.143 83.859 ( 1.559 -5.269 6.933) 8.846 83.892 ( -1.831 -6.281 5.701) 8.678 85.888 ( 9.837 -27.221 11.892) 31.291 86.089 ( -10.926 -32.057 2.966) 33.998 ======================= Grid point 315 (106/144) ======================= q-point: ( 0.00 0.21 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.006 ( 0.000 14.238 3.676) 14.705 2.041 ( 0.000 7.265 2.276) 7.614 2.496 ( 0.000 4.581 7.580) 8.857 2.641 ( 0.000 0.001 -1.359) 1.359 3.074 ( 0.000 1.809 6.192) 6.451 3.371 ( 0.000 2.372 -7.664) 8.023 3.747 ( 0.000 29.438 5.032) 29.865 3.986 ( 0.000 31.378 -6.647) 32.074 4.260 ( 0.000 8.710 8.191) 11.957 4.400 ( 0.000 22.521 0.689) 22.532 4.796 ( 0.000 1.592 3.150) 3.530 4.928 ( 0.000 -7.352 -1.919) 7.598 7.353 ( 0.000 -4.093 3.707) 5.522 7.439 ( 0.000 -3.189 0.284) 3.202 7.860 ( 0.000 -3.741 8.541) 9.325 8.037 ( 0.000 -0.569 0.214) 0.608 8.620 ( 0.000 4.746 -2.488) 5.359 8.667 ( 0.000 2.589 -4.416) 5.119 9.048 ( 0.000 13.095 0.635) 13.111 9.189 ( 0.000 15.006 -6.246) 16.254 9.872 ( 0.000 -0.188 -2.471) 2.478 9.881 ( 0.000 -0.225 -4.199) 4.205 10.358 ( 0.000 -3.265 2.260) 3.971 10.458 ( 0.000 -10.684 -1.874) 10.847 12.094 ( 0.000 7.585 2.951) 8.139 12.176 ( 0.000 12.534 -2.774) 12.837 12.490 ( 0.000 13.909 1.889) 14.037 12.503 ( 0.000 0.413 7.199) 7.210 12.794 ( 0.000 12.838 -3.765) 13.379 12.971 ( 0.000 -1.191 -1.872) 2.219 13.162 ( 0.000 0.826 -3.798) 3.887 13.214 ( 0.000 -8.281 -6.922) 10.793 16.208 ( 0.000 -10.604 6.814) 12.605 16.358 ( 0.000 -13.150 -1.968) 13.296 16.729 ( 0.000 -18.287 3.120) 18.551 16.787 ( 0.000 -17.030 -0.207) 17.032 28.788 ( 0.000 11.817 4.485) 12.640 28.883 ( 0.000 11.755 -0.176) 11.756 29.098 ( 0.000 12.218 -1.663) 12.331 29.123 ( 0.000 12.266 -3.131) 12.659 31.648 ( 0.000 1.072 3.224) 3.398 31.743 ( 0.000 -1.015 -1.233) 1.597 32.451 ( 0.000 -6.149 -0.348) 6.159 32.453 ( 0.000 -6.863 -0.445) 6.878 83.727 ( 0.000 -5.021 5.142) 7.187 83.770 ( 0.000 -7.573 3.646) 8.405 85.190 ( 0.000 -24.835 15.458) 29.253 85.546 ( 0.000 -37.480 0.272) 37.481 ======================= Grid point 316 (107/144) ======================= q-point: ( 0.20 0.21 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.946 ( -4.241 12.682 3.852) 13.916 2.004 ( -4.224 10.601 1.089) 11.463 2.535 ( 4.099 4.021 8.339) 10.124 2.683 ( 2.640 0.215 -0.580) 2.712 3.097 ( 2.792 1.914 5.926) 6.825 3.350 ( -2.227 3.340 -5.431) 6.753 3.775 ( 2.678 29.545 3.488) 29.871 3.964 ( -2.240 30.833 -5.898) 31.472 4.298 ( 4.077 9.537 7.729) 12.934 4.436 ( 3.210 20.897 0.529) 21.149 4.766 ( -2.890 0.679 2.618) 3.958 4.887 ( -4.112 -6.703 -1.958) 8.104 7.384 ( 3.326 -4.230 4.390) 6.944 7.485 ( 4.580 -3.299 0.299) 5.652 7.785 ( -6.539 -3.755 7.624) 10.723 7.975 ( -6.832 -0.548 -1.044) 6.933 8.606 ( 3.754 4.173 2.471) 6.133 8.830 ( 10.769 4.555 -7.969) 14.150 8.998 ( -4.695 11.300 1.618) 12.344 9.195 ( -0.282 14.401 -8.039) 16.495 9.908 ( 3.487 -1.591 -2.593) 4.627 9.925 ( 5.054 0.399 -2.840) 5.811 10.308 ( -5.001 -2.194 1.767) 5.740 10.412 ( -4.838 -9.155 -2.390) 10.627 12.083 ( 0.206 7.686 4.624) 8.972 12.238 ( 5.190 11.416 -3.670) 13.066 12.383 ( -7.344 6.537 6.841) 11.977 12.523 ( -1.448 8.998 0.639) 9.136 12.825 ( 3.092 10.985 -2.654) 11.717 12.968 ( -0.449 0.593 -1.981) 2.116 13.157 ( -0.360 -0.719 -3.730) 3.816 13.203 ( -1.075 -8.073 -6.611) 10.490 16.258 ( 5.107 -11.256 6.427) 13.931 16.401 ( 4.397 -13.480 -1.859) 14.300 16.680 ( -5.018 -17.437 3.576) 18.494 16.751 ( -3.778 -16.616 -0.245) 17.042 28.797 ( 0.954 11.878 4.158) 12.621 28.875 ( -0.896 11.859 0.415) 11.900 29.099 ( 0.118 12.129 -1.890) 12.276 29.119 ( -0.343 12.197 -3.038) 12.574 31.660 ( 1.145 0.810 2.638) 2.987 31.736 ( -0.735 -0.866 -0.950) 1.481 32.450 ( -0.040 -6.311 -0.287) 6.317 32.453 ( -0.017 -6.684 -0.440) 6.699 83.732 ( 0.517 -5.103 5.142) 7.263 83.768 ( -0.278 -7.139 3.903) 8.141 85.218 ( 2.958 -25.994 13.941) 29.644 85.506 ( -4.045 -36.178 1.688) 36.442 ======================= Grid point 317 (108/144) ======================= q-point: ( 0.40 0.21 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( -0.897 13.176 2.946) 13.531 1.920 ( -3.646 12.789 1.597) 13.394 2.625 ( 4.756 2.779 6.860) 8.798 2.692 ( -1.854 1.233 3.002) 3.738 3.181 ( 5.699 2.669 3.367) 7.137 3.285 ( -4.744 3.758 -0.926) 6.122 3.837 ( 3.723 29.908 0.309) 30.140 3.907 ( -3.606 30.176 -3.254) 30.565 4.401 ( 6.146 12.367 5.778) 14.970 4.478 ( -0.497 17.967 2.662) 18.170 4.724 ( 0.145 -2.766 0.075) 2.771 4.790 ( -5.522 -4.814 -1.877) 7.562 7.475 ( 6.020 -4.796 5.692) 9.572 7.567 ( 0.118 -4.811 3.871) 6.176 7.686 ( 0.243 -1.935 2.545) 3.206 7.812 ( -9.300 -0.759 -1.077) 9.393 8.732 ( 8.271 5.553 4.000) 10.736 8.882 ( -7.165 8.194 2.913) 11.268 9.021 ( 8.744 7.610 -9.702) 15.116 9.151 ( -4.706 11.465 -10.018) 15.936 10.000 ( 5.880 -1.439 -0.528) 6.076 10.044 ( 5.057 -3.514 -0.743) 6.203 10.205 ( -3.426 0.396 -1.310) 3.689 10.286 ( -7.969 -4.993 -3.444) 10.015 12.124 ( 4.240 6.502 6.983) 10.442 12.237 ( -7.295 5.552 7.473) 11.828 12.349 ( 5.995 11.313 -3.717) 13.332 12.457 ( -5.070 10.631 -2.684) 12.080 12.892 ( 3.576 8.281 -1.821) 9.202 12.946 ( -1.991 4.840 -1.891) 5.564 13.158 ( 0.571 -4.475 -4.320) 6.246 13.178 ( -1.420 -7.164 -5.634) 9.224 16.386 ( 8.038 -13.058 5.256) 16.210 16.499 ( 3.043 -14.572 -1.057) 14.924 16.565 ( -4.205 -15.181 4.257) 16.318 16.652 ( -6.444 -15.522 -0.332) 16.810 28.822 ( 1.544 11.991 3.207) 12.508 28.851 ( -1.516 12.003 1.796) 12.231 29.103 ( 0.349 12.017 -2.367) 12.253 29.111 ( -0.480 12.061 -2.781) 12.387 31.687 ( 1.633 0.199 1.281) 2.085 31.716 ( -1.381 -0.434 -0.079) 1.450 32.450 ( 0.073 -6.425 -0.267) 6.431 32.452 ( -0.108 -6.542 -0.354) 6.552 83.745 ( 0.786 -5.455 4.978) 7.427 83.759 ( -0.641 -6.216 4.489) 7.694 85.297 ( 5.329 -29.042 10.059) 31.193 85.407 ( -5.997 -32.903 5.399) 33.878 ======================= Grid point 320 (109/144) ======================= q-point: ( 0.00 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.190 ( 0.000 6.632 4.817) 8.197 2.315 ( 0.000 15.433 -0.145) 15.434 2.591 ( 0.000 5.392 3.532) 6.446 2.626 ( 0.000 -0.949 -0.671) 1.162 3.037 ( 0.000 -4.177 4.102) 5.854 3.314 ( 0.000 -6.656 -8.416) 10.730 4.231 ( 0.000 11.822 5.757) 13.149 4.239 ( 0.000 -8.120 10.552) 13.315 4.629 ( 0.000 28.438 -4.203) 28.747 4.843 ( 0.000 4.014 -2.938) 4.975 4.876 ( 0.000 22.137 -2.714) 22.303 5.008 ( 0.000 16.380 -3.540) 16.759 7.269 ( 0.000 -3.923 3.542) 5.286 7.367 ( 0.000 -3.683 -0.582) 3.729 7.765 ( 0.000 -4.372 7.102) 8.340 7.988 ( 0.000 -3.558 -0.645) 3.616 8.661 ( 0.000 -0.186 -2.749) 2.756 8.693 ( 0.000 0.195 -6.106) 6.109 9.255 ( 0.000 6.385 3.214) 7.149 9.463 ( 0.000 10.504 -6.272) 12.234 9.869 ( 0.000 -1.529 -1.791) 2.354 9.895 ( 0.000 2.396 -2.023) 3.136 10.289 ( 0.000 -5.306 0.149) 5.308 10.300 ( 0.000 -2.565 -0.570) 2.627 12.234 ( 0.000 4.193 8.825) 9.771 12.467 ( 0.000 14.365 -4.132) 14.948 12.505 ( 0.000 2.246 6.656) 7.025 12.719 ( 0.000 4.659 -2.125) 5.120 12.956 ( 0.000 2.064 -0.507) 2.126 13.078 ( 0.000 12.328 -7.070) 14.211 13.083 ( 0.000 -2.519 0.324) 2.540 13.177 ( 0.000 2.049 -5.679) 6.037 15.995 ( 0.000 -9.769 4.395) 10.712 16.093 ( 0.000 -12.208 -1.360) 12.283 16.381 ( 0.000 -15.088 3.338) 15.453 16.443 ( 0.000 -15.807 -0.205) 15.808 29.036 ( 0.000 12.000 3.482) 12.495 29.123 ( 0.000 11.310 -0.837) 11.341 29.340 ( 0.000 10.880 -0.631) 10.899 29.362 ( 0.000 10.574 -1.799) 10.726 31.680 ( 0.000 2.042 1.753) 2.691 31.733 ( 0.000 0.097 -0.804) 0.810 32.306 ( 0.000 -7.348 -0.185) 7.351 32.317 ( 0.000 -6.711 -0.758) 6.754 83.631 ( 0.000 -4.163 3.140) 5.215 83.638 ( 0.000 -5.100 3.074) 5.955 84.698 ( 0.000 -22.388 9.269) 24.231 84.844 ( 0.000 -30.293 3.338) 30.476 ======================= Grid point 321 (110/144) ======================= q-point: ( 0.20 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.168 ( -1.480 9.188 4.256) 10.233 2.279 ( -3.556 14.866 -0.406) 15.291 2.607 ( 2.308 3.812 4.294) 6.188 2.668 ( 2.583 -1.000 -0.723) 2.863 3.066 ( 3.424 -3.846 4.460) 6.812 3.317 ( -0.303 -5.425 -6.443) 8.428 4.233 ( 1.019 -0.930 7.343) 7.471 4.263 ( 1.642 2.257 6.316) 6.905 4.618 ( -0.859 27.819 -3.069) 28.001 4.792 ( -4.875 6.182 -2.531) 8.270 4.896 ( 1.949 21.650 -3.004) 21.944 5.004 ( -0.582 16.566 -3.904) 17.030 7.298 ( 3.082 -3.938 4.089) 6.460 7.411 ( 4.292 -3.769 -0.546) 5.738 7.695 ( -6.139 -4.179 6.616) 9.946 7.926 ( -6.786 -3.697 -2.361) 8.081 8.650 ( 4.345 0.694 1.518) 4.655 8.866 ( 11.805 -0.615 -8.572) 14.601 9.171 ( -7.720 5.182 3.615) 9.976 9.431 ( -4.399 7.129 -8.631) 12.028 9.896 ( 4.301 0.729 0.872) 4.448 9.964 ( 5.226 2.773 -2.519) 6.430 10.270 ( -2.185 -2.265 -0.480) 3.184 10.282 ( -1.680 -2.992 -0.724) 3.506 12.225 ( -0.383 4.650 9.236) 10.348 12.440 ( -5.363 3.789 5.602) 8.631 12.510 ( 3.330 11.838 -2.374) 12.525 12.712 ( -1.180 5.397 -3.352) 6.462 12.968 ( 1.244 1.307 -0.295) 1.828 13.067 ( -1.183 1.736 -0.495) 2.159 13.084 ( 0.252 6.850 -5.939) 9.070 13.163 ( -1.392 2.557 -5.755) 6.449 16.034 ( 3.981 -10.143 4.257) 11.698 16.131 ( 3.829 -12.419 -1.244) 13.055 16.345 ( -3.593 -14.542 3.498) 15.382 16.416 ( -2.913 -15.414 -0.261) 15.689 29.046 ( 1.025 12.022 3.173) 12.476 29.117 ( -0.614 11.494 -0.335) 11.515 29.338 ( -0.093 10.737 -0.795) 10.767 29.358 ( -0.464 10.522 -1.742) 10.675 31.686 ( 0.658 1.839 1.427) 2.419 31.729 ( -0.384 0.271 -0.639) 0.793 32.306 ( 0.081 -7.289 -0.217) 7.292 32.316 ( -0.139 -6.793 -0.686) 6.829 83.636 ( 0.475 -4.087 3.200) 5.213 83.643 ( 0.419 -4.824 3.045) 5.720 84.706 ( 0.845 -23.229 8.697) 24.818 84.824 ( -1.984 -29.624 3.883) 29.943 ======================= Grid point 322 (111/144) ======================= q-point: ( 0.40 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.161 ( 1.021 12.719 2.789) 13.061 2.206 ( -3.588 14.515 0.848) 14.976 2.658 ( 2.496 1.171 3.208) 4.230 2.689 ( -0.513 -0.897 0.851) 1.339 3.166 ( 6.562 -3.261 3.158) 7.979 3.276 ( -4.329 -3.603 -1.286) 5.777 4.267 ( 2.067 -3.436 4.412) 5.962 4.286 ( 0.375 0.591 3.703) 3.768 4.618 ( 1.525 23.391 -1.160) 23.469 4.687 ( -5.457 13.074 -1.202) 14.218 4.940 ( 2.448 20.099 -3.834) 20.608 4.981 ( -1.826 18.062 -4.170) 18.627 7.381 ( 5.528 -4.018 5.170) 8.569 7.473 ( -1.470 -3.940 3.522) 5.486 7.621 ( 2.427 -3.950 1.074) 4.759 7.761 ( -9.567 -3.722 -2.628) 10.597 8.799 ( 10.122 1.384 3.829) 10.910 8.995 ( -10.022 2.971 3.601) 11.056 9.094 ( 11.533 -0.088 -9.630) 15.025 9.296 ( -9.417 2.293 -10.151) 14.035 10.003 ( 5.701 2.402 1.651) 6.403 10.048 ( 2.137 2.586 -0.397) 3.378 10.222 ( -1.751 0.764 -1.761) 2.598 10.240 ( -2.596 -0.463 -2.086) 3.362 12.243 ( 2.601 4.484 9.621) 10.928 12.325 ( -5.908 3.785 8.615) 11.111 12.587 ( 4.497 10.186 -4.457) 11.994 12.666 ( -3.585 7.672 -4.708) 9.689 12.999 ( 1.948 -0.137 0.153) 1.959 13.036 ( -1.926 -0.681 0.513) 2.106 13.098 ( 1.345 6.570 -6.489) 9.332 13.131 ( -1.919 4.167 -6.029) 7.576 16.133 ( 6.093 -11.211 3.863) 13.331 16.218 ( 3.311 -12.417 -0.585) 12.864 16.261 ( -3.376 -13.832 3.458) 14.652 16.338 ( -5.229 -14.491 -0.357) 15.410 29.071 ( 1.545 12.020 2.268) 12.329 29.099 ( -1.300 11.840 0.923) 11.947 29.339 ( 0.234 10.497 -1.195) 10.567 29.347 ( -0.569 10.438 -1.555) 10.568 31.702 ( 0.930 1.330 0.658) 1.751 31.718 ( -0.761 0.734 -0.129) 1.065 32.309 ( 0.173 -7.148 -0.328) 7.157 32.312 ( -0.209 -6.970 -0.510) 6.992 83.645 ( 0.437 -4.020 3.204) 5.159 83.649 ( 0.122 -4.303 3.099) 5.304 84.732 ( 1.973 -25.354 7.189) 26.428 84.777 ( -2.684 -27.796 5.341) 28.431 ======================= Grid point 325 (112/144) ======================= q-point: ( 0.00 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.301 ( 0.000 4.300 4.527) 6.244 2.548 ( 0.000 1.992 -6.277) 6.586 2.694 ( 0.000 12.638 2.597) 12.902 2.733 ( 0.000 8.055 1.774) 8.248 2.939 ( 0.000 -4.354 0.700) 4.410 3.132 ( 0.000 -10.370 -8.219) 13.232 4.000 ( 0.000 -13.631 9.705) 16.733 4.168 ( 0.000 -12.314 2.454) 12.556 5.125 ( 0.000 17.886 -2.077) 18.006 5.145 ( 0.000 21.107 -4.737) 21.632 5.281 ( 0.000 16.506 -2.836) 16.748 5.338 ( 0.000 14.131 -3.892) 14.657 7.200 ( 0.000 -2.580 4.071) 4.820 7.292 ( 0.000 -3.571 -0.852) 3.672 7.705 ( 0.000 -1.341 1.665) 2.138 7.906 ( 0.000 -4.234 -2.690) 5.016 8.642 ( 0.000 -1.120 -1.678) 2.018 8.688 ( 0.000 -0.471 -6.709) 6.726 9.318 ( 0.000 0.685 2.709) 2.794 9.551 ( 0.000 -2.434 -8.310) 8.659 9.876 ( 0.000 3.570 2.814) 4.546 9.958 ( 0.000 3.225 -1.573) 3.589 10.223 ( 0.000 -2.018 -0.150) 2.023 10.246 ( 0.000 -2.777 -0.689) 2.862 12.256 ( 0.000 -0.373 10.749) 10.756 12.604 ( 0.000 5.659 5.548) 7.925 12.624 ( 0.000 -5.481 -7.038) 8.920 12.723 ( 0.000 4.564 -0.432) 4.585 13.037 ( 0.000 5.059 2.891) 5.827 13.183 ( 0.000 2.320 -5.150) 5.649 13.192 ( 0.000 10.642 1.570) 10.757 13.347 ( 0.000 9.604 -6.686) 11.702 15.819 ( 0.000 -7.152 2.467) 7.566 15.871 ( 0.000 -9.096 -0.718) 9.124 16.121 ( 0.000 -10.089 2.830) 10.478 16.158 ( 0.000 -11.560 0.551) 11.573 29.269 ( 0.000 10.307 2.619) 10.634 29.337 ( 0.000 9.230 -0.802) 9.265 29.530 ( 0.000 7.431 -0.014) 7.431 29.543 ( 0.000 6.847 -0.612) 6.874 31.733 ( 0.000 3.179 0.398) 3.203 31.750 ( 0.000 1.651 -0.513) 1.729 32.157 ( 0.000 -6.986 0.003) 6.986 32.180 ( 0.000 -6.583 -1.067) 6.669 83.564 ( 0.000 -2.189 1.950) 2.932 83.566 ( 0.000 -1.853 1.967) 2.702 84.287 ( 0.000 -17.348 4.623) 17.954 84.313 ( 0.000 -21.268 3.686) 21.585 ======================= Grid point 326 (113/144) ======================= q-point: ( 0.20 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.325 ( 2.644 6.017 4.051) 7.721 2.547 ( -0.810 7.357 -5.369) 9.144 2.670 ( -1.425 4.692 1.706) 5.192 2.731 ( -0.867 8.034 0.595) 8.103 2.974 ( 4.201 -4.105 2.011) 6.208 3.167 ( 2.563 -8.126 -6.358) 10.631 3.991 ( -0.409 -14.337 8.501) 16.672 4.149 ( -2.212 -13.404 1.920) 13.720 5.115 ( -0.890 18.834 -1.926) 18.953 5.132 ( -1.195 21.209 -4.002) 21.617 5.293 ( 1.096 16.178 -3.234) 16.535 5.338 ( -0.092 14.218 -3.935) 14.753 7.231 ( 3.270 -2.385 4.195) 5.829 7.335 ( 4.413 -3.520 -1.132) 5.758 7.634 ( -6.415 -1.519 2.715) 7.130 7.839 ( -6.951 -4.502 -3.818) 9.119 8.658 ( 5.006 0.447 0.455) 5.046 8.830 ( 10.772 -2.391 -8.181) 13.736 9.224 ( -8.760 0.840 2.366) 9.113 9.461 ( -8.454 -3.187 -8.586) 12.464 9.950 ( 6.695 4.092 2.742) 8.312 10.027 ( 5.641 2.890 -1.360) 6.483 10.225 ( 0.080 -1.775 -0.228) 1.792 10.244 ( -0.229 -1.805 -0.843) 2.005 12.265 ( 1.110 0.521 10.741) 10.810 12.531 ( -6.021 4.304 5.458) 9.196 12.643 ( 1.067 -4.133 -5.153) 6.691 12.719 ( -0.634 2.391 -1.434) 2.859 13.048 ( 1.055 5.751 2.487) 6.354 13.165 ( -1.985 9.235 0.184) 9.448 13.197 ( 0.891 4.212 -3.994) 5.873 13.326 ( -2.106 8.953 -6.613) 11.328 15.852 ( 3.403 -7.333 2.506) 8.463 15.905 ( 3.433 -9.249 -0.546) 9.881 16.095 ( -2.663 -9.708 2.829) 10.457 16.139 ( -2.153 -11.216 0.419) 11.428 29.279 ( 1.053 10.329 2.385) 10.653 29.336 ( -0.171 9.499 -0.444) 9.511 29.525 ( -0.453 7.188 -0.075) 7.203 29.538 ( -0.560 6.803 -0.632) 6.855 31.737 ( 0.319 3.069 0.283) 3.098 31.750 ( -0.012 1.829 -0.454) 1.885 32.158 ( 0.145 -6.993 -0.098) 6.995 32.177 ( -0.301 -6.665 -0.963) 6.741 83.573 ( 0.873 -1.920 1.943) 2.868 83.575 ( 0.842 -1.575 1.948) 2.643 84.280 ( -0.633 -17.950 4.542) 18.526 84.301 ( -1.130 -21.161 3.783) 21.526 ======================= Grid point 327 (114/144) ======================= q-point: ( 0.40 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.398 ( 4.940 9.725 2.539) 11.199 2.494 ( -4.616 12.766 -0.547) 13.586 2.668 ( 1.170 -0.794 -1.393) 1.984 2.701 ( -1.997 3.395 -1.240) 4.129 3.085 ( 6.558 -3.489 2.265) 7.766 3.177 ( -2.316 -4.862 -1.515) 5.594 4.010 ( 2.834 -15.657 4.721) 16.597 4.085 ( -4.324 -15.259 1.878) 15.971 5.102 ( -0.217 20.451 -1.967) 20.546 5.110 ( -0.942 21.221 -2.750) 21.419 5.315 ( 1.117 15.415 -3.719) 15.897 5.332 ( -0.604 14.652 -3.931) 15.182 7.320 ( 5.904 -1.832 4.158) 7.450 7.413 ( -0.314 -1.872 0.937) 2.117 7.538 ( 0.861 -3.765 0.816) 3.947 7.674 ( -9.603 -4.577 -3.354) 11.155 8.815 ( 10.665 0.698 1.682) 10.819 9.026 ( -9.435 0.572 0.708) 9.479 9.051 ( 10.018 -3.266 -8.026) 13.245 9.271 ( -11.282 -3.684 -9.143) 14.981 10.074 ( 5.354 3.610 2.079) 6.783 10.112 ( 2.035 2.982 0.213) 3.616 10.222 ( -0.101 -0.755 -0.856) 1.146 10.234 ( -0.877 -0.517 -1.383) 1.717 12.308 ( 3.732 2.447 10.208) 11.141 12.407 ( -6.487 4.010 8.398) 11.344 12.667 ( 1.487 -3.964 -4.637) 6.279 12.697 ( -1.570 -1.502 -3.216) 3.881 13.075 ( 1.922 7.439 1.852) 7.903 13.119 ( -2.622 9.107 1.309) 9.566 13.227 ( 2.235 5.207 -5.555) 7.935 13.276 ( -2.865 7.273 -6.284) 10.030 15.935 ( 4.973 -7.955 2.642) 9.746 15.988 ( 4.852 -9.887 -0.090) 11.014 16.027 ( -4.373 -8.637 2.663) 10.041 16.078 ( -4.221 -10.408 0.117) 11.232 29.304 ( 1.443 10.321 1.668) 10.554 29.327 ( -0.883 10.043 0.553) 10.097 29.519 ( -0.027 6.775 -0.331) 6.784 29.526 ( -0.613 6.686 -0.585) 6.740 31.744 ( 0.368 2.743 0.011) 2.768 31.749 ( -0.177 2.268 -0.271) 2.291 32.163 ( 0.311 -6.965 -0.364) 6.981 32.170 ( -0.409 -6.839 -0.694) 6.886 83.589 ( 0.592 -1.347 1.922) 2.421 83.590 ( 0.517 -1.174 1.920) 2.309 84.271 ( -0.163 -19.374 4.323) 19.851 84.279 ( -0.975 -20.627 4.033) 21.040 ======================= Grid point 330 (115/144) ======================= q-point: ( 0.00 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.386 ( 0.000 4.398 0.219) 4.403 2.535 ( 0.000 -1.544 -5.068) 5.298 2.797 ( 0.000 -2.359 1.099) 2.602 2.909 ( 0.000 -8.229 -5.304) 9.790 2.988 ( 0.000 9.586 -0.819) 9.621 3.002 ( 0.000 12.670 -1.761) 12.792 3.721 ( 0.000 -12.254 7.550) 14.393 3.868 ( 0.000 -15.373 1.167) 15.417 5.441 ( 0.000 11.818 -1.360) 11.896 5.481 ( 0.000 11.379 -4.466) 12.224 5.538 ( 0.000 8.193 -3.741) 9.007 5.554 ( 0.000 6.431 -3.211) 7.188 7.168 ( 0.000 -0.477 4.008) 4.036 7.225 ( 0.000 -2.832 0.325) 2.851 7.706 ( 0.000 1.295 -4.241) 4.434 7.821 ( 0.000 -3.898 -5.356) 6.625 8.631 ( 0.000 0.242 -1.383) 1.404 8.674 ( 0.000 -0.964 -5.447) 5.532 9.322 ( 0.000 0.495 -0.517) 0.716 9.450 ( 0.000 -5.557 -6.078) 8.236 9.964 ( 0.000 3.825 1.839) 4.244 10.010 ( 0.000 1.607 -0.552) 1.699 10.187 ( 0.000 -1.555 0.028) 1.555 10.191 ( 0.000 -2.230 0.349) 2.257 12.268 ( 0.000 2.017 8.156) 8.402 12.474 ( 0.000 -7.286 -1.355) 7.411 12.697 ( 0.000 3.271 5.382) 6.298 12.765 ( 0.000 -0.146 2.215) 2.220 13.164 ( 0.000 5.725 -0.438) 5.741 13.231 ( 0.000 1.897 -3.794) 4.242 13.399 ( 0.000 8.404 0.095) 8.405 13.491 ( 0.000 4.175 -4.570) 6.190 15.709 ( 0.000 -3.418 1.170) 3.612 15.728 ( 0.000 -4.701 -0.066) 4.702 15.964 ( 0.000 -5.191 2.412) 5.724 15.977 ( 0.000 -6.028 1.469) 6.204 29.448 ( 0.000 6.806 1.733) 7.024 29.489 ( 0.000 5.207 -0.381) 5.221 29.640 ( 0.000 3.210 0.282) 3.222 29.641 ( 0.000 2.786 0.290) 2.802 31.800 ( 0.000 3.139 -0.362) 3.160 31.808 ( 0.000 3.978 -0.641) 4.029 32.024 ( 0.000 -5.755 0.105) 5.756 32.050 ( 0.000 -5.864 -1.123) 5.970 83.545 ( 0.000 0.356 1.562) 1.602 83.557 ( 0.000 0.654 1.112) 1.290 83.973 ( 0.000 -11.541 2.831) 11.883 83.994 ( 0.000 -10.938 1.931) 11.107 ======================= Grid point 331 (116/144) ======================= q-point: ( 0.20 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.430 ( 4.551 4.706 0.028) 6.547 2.571 ( 3.580 -1.220 -5.099) 6.348 2.773 ( -3.044 0.834 -0.016) 3.156 2.860 ( -4.137 -2.165 -4.551) 6.520 3.005 ( 3.233 10.024 1.115) 10.591 3.081 ( 5.513 4.146 -2.266) 7.261 3.695 ( -2.242 -13.299 6.833) 15.118 3.834 ( -3.554 -15.924 0.859) 16.338 5.441 ( -0.017 12.014 -1.518) 12.110 5.472 ( -0.831 11.664 -3.902) 12.328 5.543 ( 0.449 7.847 -3.851) 8.752 5.555 ( 0.075 6.475 -3.255) 7.247 7.204 ( 3.815 -0.195 3.719) 5.331 7.269 ( 4.577 -2.879 -0.137) 5.409 7.632 ( -7.083 1.141 -2.103) 7.477 7.749 ( -7.218 -4.139 -5.077) 9.747 8.678 ( 6.003 1.626 -1.246) 6.343 8.777 ( 8.907 -2.665 -6.713) 11.467 9.237 ( -8.233 0.934 -1.066) 8.354 9.364 ( -8.088 -5.059 -6.687) 11.650 10.028 ( 5.663 3.014 1.987) 6.716 10.070 ( 5.189 1.154 -0.328) 5.326 10.192 ( 0.614 -1.334 0.565) 1.574 10.207 ( 1.067 -1.682 -0.201) 2.002 12.290 ( 2.403 2.358 8.240) 8.901 12.489 ( 1.558 -6.489 -0.904) 6.734 12.634 ( -5.932 3.107 6.058) 9.030 12.729 ( -3.734 -1.221 1.656) 4.263 13.182 ( 1.904 5.897 -0.492) 6.216 13.252 ( 2.197 2.146 -3.986) 5.032 13.370 ( -2.918 8.061 -0.049) 8.573 13.460 ( -3.074 3.883 -4.616) 6.770 15.740 ( 3.079 -3.505 1.317) 4.847 15.760 ( 3.198 -4.743 0.112) 5.722 15.945 ( -1.983 -4.922 2.338) 5.799 15.963 ( -1.613 -5.883 1.296) 6.236 29.459 ( 1.145 6.883 1.614) 7.162 29.495 ( 0.545 5.621 -0.220) 5.652 29.628 ( -1.034 2.806 0.438) 3.023 29.635 ( -0.784 2.698 0.108) 2.812 31.804 ( 0.373 3.348 -0.364) 3.388 31.811 ( 0.235 4.068 -0.599) 4.118 32.024 ( 0.011 -5.937 -0.037) 5.937 32.046 ( -0.489 -5.985 -1.040) 6.094 83.563 ( 1.730 0.916 1.552) 2.498 83.575 ( 1.644 1.257 1.097) 2.343 83.957 ( -1.543 -12.114 2.789) 12.526 83.975 ( -1.826 -11.515 1.990) 11.828 ======================= Grid point 332 (117/144) ======================= q-point: ( 0.40 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.544 ( 7.131 4.927 -0.412) 8.677 2.656 ( 3.661 -0.529 -3.631) 5.183 2.683 ( -4.709 4.623 -2.093) 6.923 2.767 ( -5.559 0.649 -4.591) 7.239 3.096 ( 5.341 6.404 2.412) 8.681 3.152 ( 0.594 4.638 0.083) 4.676 3.675 ( 1.202 -16.298 3.839) 16.787 3.745 ( -5.276 -16.978 1.007) 17.807 5.443 ( 0.374 12.259 -2.031) 12.431 5.455 ( -0.832 12.121 -2.899) 12.491 5.551 ( 0.347 7.196 -3.737) 8.116 5.555 ( -0.085 6.703 -3.451) 7.540 7.308 ( 6.913 0.607 2.622) 7.418 7.382 ( 5.727 -1.707 -1.241) 6.104 7.485 ( -6.224 -0.845 0.658) 6.315 7.581 ( -9.631 -4.229 -3.221) 11.001 8.840 ( 10.496 1.950 -1.652) 10.803 8.971 ( 11.119 -3.906 -7.824) 14.146 9.048 ( -11.102 1.535 -1.721) 11.339 9.181 ( -10.899 -4.523 -7.633) 14.054 10.131 ( 4.340 1.891 1.752) 5.047 10.156 ( 2.644 1.200 0.390) 2.930 10.200 ( 0.317 -1.020 0.502) 1.180 10.216 ( -0.403 -1.113 -0.366) 1.239 12.363 ( 5.431 3.169 8.152) 10.296 12.484 ( -6.183 3.203 6.499) 9.525 12.556 ( 2.473 -5.187 0.717) 5.791 12.639 ( -5.239 -3.519 0.744) 6.355 13.232 ( 3.296 6.473 -0.523) 7.282 13.301 ( -3.414 7.227 -0.806) 8.034 13.310 ( 3.225 2.680 -3.901) 5.727 13.388 ( -4.327 3.229 -4.602) 7.094 15.812 ( 4.180 -3.788 1.690) 5.889 15.833 ( 4.003 -4.904 0.582) 6.357 15.894 ( -3.202 -4.428 2.003) 5.820 15.915 ( -3.357 -5.487 0.908) 6.496 29.485 ( 1.428 7.086 1.205) 7.328 29.502 ( -0.148 6.727 0.396) 6.740 29.611 ( -0.447 2.060 0.317) 2.131 29.617 ( -0.912 2.136 0.050) 2.323 31.812 ( 0.334 3.817 -0.396) 3.852 31.814 ( 0.054 4.122 -0.492) 4.151 32.026 ( 0.281 -6.232 -0.397) 6.251 32.035 ( -0.589 -6.221 -0.786) 6.298 83.598 ( 1.512 2.315 1.419) 3.108 83.604 ( 0.967 2.580 1.170) 2.993 83.930 ( -0.838 -13.350 2.600) 13.626 83.938 ( -1.638 -12.982 2.230) 13.273 ======================= Grid point 335 (118/144) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.480 ( 0.000 -4.131 -4.236) 5.917 2.480 ( 0.000 4.131 -4.236) 5.917 2.781 ( 0.000 -2.365 -2.039) 3.122 2.781 ( 0.000 2.365 -2.039) 3.122 3.156 ( 0.000 -2.489 -0.753) 2.601 3.156 ( 0.000 2.489 -0.753) 2.601 3.613 ( 0.000 -5.656 3.622) 6.716 3.613 ( 0.000 5.656 3.622) 6.716 5.593 ( 0.000 -2.742 -1.857) 3.312 5.593 ( 0.000 2.743 -1.857) 3.312 5.610 ( 0.000 -1.262 -4.395) 4.573 5.610 ( 0.000 1.262 -4.395) 4.573 7.179 ( 0.000 -1.467 2.453) 2.858 7.179 ( 0.000 1.467 2.452) 2.858 7.750 ( 0.000 -2.862 -6.694) 7.280 7.750 ( 0.000 2.862 -6.694) 7.280 8.649 ( 0.000 -1.312 -2.974) 3.250 8.649 ( 0.000 1.312 -2.974) 3.250 9.358 ( 0.000 -3.121 -3.711) 4.849 9.358 ( 0.000 3.121 -3.711) 4.849 10.016 ( 0.000 -1.122 0.496) 1.227 10.016 ( 0.000 1.122 0.496) 1.227 10.167 ( 0.000 -0.043 0.664) 0.665 10.167 ( 0.000 0.043 0.664) 0.665 12.344 ( 0.000 -5.190 3.871) 6.474 12.344 ( 0.000 5.190 3.871) 6.474 12.745 ( 0.000 -1.592 4.165) 4.459 12.745 ( 0.000 1.592 4.165) 4.459 13.239 ( 0.000 -1.471 -2.220) 2.663 13.239 ( 0.000 1.471 -2.220) 2.663 13.512 ( 0.000 -2.268 -2.193) 3.154 13.512 ( 0.000 2.268 -2.193) 3.154 15.678 ( 0.000 -0.344 0.491) 0.599 15.678 ( 0.000 0.344 0.491) 0.599 15.912 ( 0.000 -0.250 2.065) 2.080 15.912 ( 0.000 0.250 2.065) 2.080 29.534 ( 0.000 -1.173 0.602) 1.318 29.534 ( 0.000 1.173 0.602) 1.318 29.669 ( 0.000 -0.104 0.489) 0.500 29.669 ( 0.000 0.104 0.489) 0.500 31.862 ( 0.000 -1.132 -0.753) 1.360 31.862 ( 0.000 1.132 -0.753) 1.360 31.957 ( 0.000 -1.570 -0.407) 1.621 31.957 ( 0.000 1.570 -0.407) 1.621 83.564 ( 0.000 -0.663 1.325) 1.482 83.564 ( 0.000 0.663 1.325) 1.482 83.860 ( 0.000 -1.065 1.536) 1.869 83.860 ( 0.000 1.065 1.536) 1.869 ======================= Grid point 337 (119/144) ======================= q-point: ( 0.20 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.522 ( 4.250 -3.763 -4.164) 7.040 2.522 ( 4.250 3.763 -4.164) 7.040 2.782 ( -0.669 -2.179 -2.529) 3.404 2.782 ( -0.669 2.179 -2.529) 3.404 3.181 ( 3.239 -3.154 -0.078) 4.521 3.181 ( 3.239 3.154 -0.078) 4.521 3.568 ( -4.756 -5.815 3.268) 8.192 3.568 ( -4.756 5.815 3.268) 8.192 5.594 ( 0.125 -2.750 -2.056) 3.436 5.594 ( 0.125 2.750 -2.056) 3.436 5.608 ( -0.210 -1.633 -4.091) 4.409 5.608 ( -0.210 1.633 -4.091) 4.409 7.221 ( 4.350 -1.668 1.999) 5.070 7.221 ( 4.350 1.668 1.999) 5.070 7.675 ( -7.357 -2.942 -4.956) 9.346 7.675 ( -7.357 2.942 -4.956) 9.346 8.723 ( 7.249 -2.557 -3.980) 8.656 8.723 ( 7.249 2.557 -3.980) 8.656 9.277 ( -7.756 -3.168 -4.372) 9.450 9.277 ( -7.756 3.168 -4.372) 9.450 10.070 ( 4.810 -1.108 0.824) 5.005 10.070 ( 4.810 1.108 0.824) 5.005 10.182 ( 1.273 -0.511 0.590) 1.494 10.182 ( 1.273 0.511 0.590) 1.494 12.367 ( 2.551 -5.024 4.072) 6.951 12.367 ( 2.551 5.024 4.072) 6.951 12.691 ( -5.380 -2.328 4.313) 7.277 12.691 ( -5.380 2.328 4.313) 7.277 13.261 ( 2.222 -1.586 -2.329) 3.589 13.261 ( 2.222 1.586 -2.329) 3.589 13.478 ( -3.330 -2.231 -2.317) 4.630 13.478 ( -3.330 2.231 -2.317) 4.630 15.709 ( 3.078 -0.421 0.667) 3.177 15.709 ( 3.078 0.421 0.667) 3.177 15.897 ( -1.594 -0.413 1.925) 2.533 15.897 ( -1.594 0.413 1.925) 2.533 29.546 ( 1.296 -1.101 0.593) 1.801 29.546 ( 1.296 1.101 0.593) 1.801 29.655 ( -1.361 -0.322 0.502) 1.486 29.655 ( -1.361 0.322 0.502) 1.486 31.871 ( 0.966 -1.169 -0.722) 1.680 31.871 ( 0.966 1.169 -0.722) 1.680 31.948 ( -0.904 -1.523 -0.442) 1.826 31.948 ( -0.904 1.523 -0.442) 1.826 83.593 ( 2.914 -0.733 1.344) 3.292 83.593 ( 2.914 0.733 1.344) 3.292 83.832 ( -2.907 -1.047 1.515) 3.441 83.832 ( -2.907 1.047 1.515) 3.441 ======================= Grid point 339 (120/144) ======================= q-point: ( 0.40 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.625 ( 6.205 -2.911 -3.906) 7.889 2.625 ( 6.205 2.911 -3.906) 7.889 2.732 ( -4.621 -2.181 -3.388) 6.131 2.732 ( -4.621 2.181 -3.388) 6.131 3.288 ( 7.737 -4.946 1.246) 9.267 3.288 ( 7.737 4.946 1.246) 9.267 3.444 ( -8.060 -5.837 2.388) 10.234 3.444 ( -8.060 5.837 2.388) 10.234 5.597 ( 0.266 -2.644 -2.605) 3.721 5.597 ( 0.266 2.644 -2.605) 3.721 5.603 ( -0.319 -2.250 -3.371) 4.065 5.603 ( -0.319 2.250 -3.371) 4.065 7.338 ( 7.976 -2.158 0.571) 8.282 7.338 ( 7.976 2.158 0.571) 8.282 7.508 ( -9.597 -2.686 -1.885) 10.142 7.508 ( -9.597 2.686 -1.885) 10.142 8.895 ( 10.495 -3.291 -5.181) 12.158 8.895 ( 10.495 3.291 -5.181) 12.158 9.098 ( -10.676 -3.309 -5.241) 12.345 9.098 ( -10.676 3.309 -5.241) 12.345 10.158 ( 3.733 -0.837 0.951) 3.942 10.158 ( 3.733 0.837 0.951) 3.942 10.196 ( -0.311 -0.644 0.671) 0.980 10.196 ( -0.311 0.644 0.671) 0.980 12.442 ( 5.494 -4.473 4.430) 8.356 12.442 ( 5.494 4.473 4.430) 8.356 12.566 ( -7.227 -3.511 4.522) 9.219 12.566 ( -7.227 3.511 4.522) 9.219 13.319 ( 3.865 -1.849 -2.507) 4.964 13.319 ( 3.865 1.849 -2.507) 4.964 13.400 ( -4.576 -2.096 -2.507) 5.623 13.400 ( -4.576 2.096 -2.507) 5.623 15.780 ( 4.145 -0.537 1.087) 4.318 15.780 ( 4.145 0.537 1.087) 4.318 15.852 ( -3.248 -0.556 1.558) 3.645 15.852 ( -3.248 0.556 1.558) 3.645 29.579 ( 2.127 -0.901 0.568) 2.379 29.579 ( 2.127 0.901 0.568) 2.379 29.621 ( -2.167 -0.622 0.533) 2.317 29.621 ( -2.167 0.622 0.533) 2.317 31.895 ( 1.530 -1.271 -0.639) 2.089 31.895 ( 1.530 1.271 -0.639) 2.089 31.925 ( -1.492 -1.406 -0.532) 2.118 31.925 ( -1.492 1.406 -0.532) 2.118 83.667 ( 4.711 -0.872 1.395) 4.990 83.667 ( 4.711 0.872 1.395) 4.990 83.758 ( -4.707 -0.986 1.460) 5.026 83.758 ( -4.707 0.986 1.460) 5.026 ======================= Grid point 375 (121/144) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.718 ( 0.000 0.000 -8.920) 8.920 1.718 ( 0.000 0.000 8.920) 8.920 1.955 ( 0.000 0.000 -11.475) 11.475 1.955 ( 0.000 0.000 11.475) 11.475 2.587 ( 0.000 0.000 -6.503) 6.503 2.587 ( 0.000 0.000 6.503) 6.503 2.950 ( 0.000 0.000 -2.531) 2.531 2.950 ( 0.000 0.000 2.531) 2.531 3.946 ( 0.000 0.000 -4.170) 4.170 3.946 ( 0.000 0.000 4.170) 4.170 5.141 ( 0.000 0.000 -5.938) 5.938 5.141 ( 0.000 0.000 5.938) 5.938 7.423 ( 0.000 0.000 -3.144) 3.144 7.423 ( 0.000 0.000 3.144) 3.144 7.688 ( 0.000 0.000 -3.700) 3.700 7.688 ( 0.000 0.000 3.700) 3.700 8.384 ( 0.000 0.000 -1.841) 1.841 8.384 ( 0.000 0.000 1.841) 1.841 8.609 ( 0.000 0.000 -1.472) 1.472 8.609 ( 0.000 0.000 1.472) 1.472 9.916 ( 0.000 0.000 -3.034) 3.034 9.916 ( 0.000 0.000 3.034) 3.034 10.776 ( 0.000 0.000 -11.870) 11.870 10.776 ( 0.000 0.000 11.870) 11.870 11.945 ( 0.000 0.000 -1.471) 1.471 11.945 ( 0.000 0.000 1.471) 1.471 12.038 ( 0.000 0.000 -1.918) 1.918 12.038 ( 0.000 0.000 1.918) 1.918 12.840 ( 0.000 0.000 -5.020) 5.020 12.840 ( 0.000 0.000 5.020) 5.020 13.189 ( 0.000 0.000 -15.957) 15.957 13.189 ( 0.000 0.000 15.957) 15.957 16.789 ( 0.000 0.000 -5.310) 5.310 16.789 ( 0.000 0.000 5.310) 5.310 17.475 ( 0.000 0.000 -1.574) 1.574 17.475 ( 0.000 0.000 1.574) 1.574 28.460 ( 0.000 0.000 -1.420) 1.420 28.460 ( 0.000 0.000 1.420) 1.420 28.548 ( 0.000 0.000 -0.476) 0.476 28.548 ( 0.000 0.000 0.476) 0.476 31.735 ( 0.000 0.000 -4.598) 4.598 31.735 ( 0.000 0.000 4.598) 4.598 32.680 ( 0.000 0.000 -0.785) 0.785 32.680 ( 0.000 0.000 0.785) 0.785 84.096 ( 0.000 0.000 -5.293) 5.293 84.096 ( 0.000 0.000 5.293) 5.293 86.793 ( 0.000 0.000 -27.909) 27.909 86.793 ( 0.000 0.000 27.909) 27.909 ======================= Grid point 377 (122/144) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( -8.476 0.000 -7.099) 11.056 1.623 ( -8.476 0.000 7.099) 11.056 1.955 ( 0.023 0.000 -9.287) 9.287 1.955 ( 0.023 0.000 9.287) 9.287 2.586 ( -0.012 0.000 -5.264) 5.265 2.586 ( -0.012 0.000 5.264) 5.265 3.000 ( 4.225 0.000 -2.730) 5.031 3.000 ( 4.225 0.000 2.730) 5.031 3.990 ( 4.233 0.000 -5.114) 6.639 3.990 ( 4.233 0.000 5.114) 6.639 5.109 ( -3.029 0.000 -5.172) 5.993 5.109 ( -3.029 0.000 5.172) 5.993 7.424 ( 0.012 0.000 -2.544) 2.544 7.424 ( 0.012 0.000 2.544) 2.544 7.723 ( 3.304 0.000 -3.958) 5.156 7.723 ( 3.304 0.000 3.958) 5.156 8.383 ( -0.023 0.000 -1.490) 1.491 8.383 ( -0.023 0.000 1.490) 1.491 8.582 ( -2.604 0.000 -3.719) 4.540 8.582 ( -2.604 0.000 3.719) 4.540 9.998 ( 8.405 0.000 -5.615) 10.108 9.998 ( 8.405 0.000 5.615) 10.108 10.701 ( -7.727 0.000 -12.081) 14.341 10.701 ( -7.727 0.000 12.081) 14.341 11.947 ( 0.248 0.000 -1.270) 1.294 11.947 ( 0.248 0.000 1.270) 1.294 12.036 ( -0.239 0.000 -1.632) 1.649 12.036 ( -0.239 0.000 1.632) 1.649 12.854 ( 1.251 0.000 -5.973) 6.103 12.854 ( 1.251 0.000 5.973) 6.103 13.176 ( -1.136 0.000 -14.010) 14.056 13.176 ( -1.136 0.000 14.010) 14.056 16.854 ( 6.740 0.000 -4.814) 8.282 16.854 ( 6.740 0.000 4.814) 8.282 17.410 ( -6.679 0.000 -1.104) 6.770 17.410 ( -6.679 0.000 1.104) 6.770 28.460 ( 0.003 0.000 -1.149) 1.149 28.460 ( 0.003 0.000 1.149) 1.149 28.548 ( -0.003 0.000 -0.386) 0.386 28.548 ( -0.003 0.000 0.386) 0.386 31.737 ( 0.224 0.000 -3.707) 3.714 31.737 ( 0.224 0.000 3.707) 3.714 32.680 ( -0.063 0.000 -0.645) 0.648 32.680 ( -0.063 0.000 0.645) 0.648 84.097 ( 0.094 0.000 -4.319) 4.320 84.097 ( 0.094 0.000 4.319) 4.320 86.775 ( -1.647 0.000 -22.536) 22.596 86.775 ( -1.647 0.000 22.536) 22.596 ======================= Grid point 379 (123/144) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( -4.882 0.000 -2.703) 5.580 1.480 ( -4.882 0.000 2.703) 5.580 1.955 ( 0.014 0.000 -3.549) 3.549 1.955 ( 0.014 0.000 3.549) 3.549 2.586 ( -0.008 0.000 -2.013) 2.013 2.586 ( -0.008 0.000 2.013) 2.013 3.065 ( 2.004 0.000 -1.358) 2.421 3.065 ( 2.004 0.000 1.358) 2.421 4.070 ( 3.027 0.000 -2.869) 4.171 4.070 ( 3.027 0.000 2.869) 4.171 5.052 ( -2.203 0.000 -2.301) 3.185 5.052 ( -2.203 0.000 2.301) 3.185 7.424 ( 0.008 0.000 -0.972) 0.972 7.424 ( 0.008 0.000 0.972) 0.972 7.785 ( 2.354 0.000 -2.225) 3.239 7.785 ( 2.354 0.000 2.225) 3.239 8.383 ( -0.014 0.000 -0.570) 0.570 8.383 ( -0.014 0.000 0.570) 0.570 8.531 ( -2.001 0.000 -2.486) 3.192 8.531 ( -2.001 0.000 2.486) 3.192 10.207 ( 12.381 0.000 -8.380) 14.950 10.207 ( 12.381 0.000 8.380) 14.950 10.505 ( -11.871 0.000 -10.740) 16.008 10.505 ( -11.871 0.000 10.740) 16.008 11.952 ( 0.170 0.000 -0.548) 0.574 11.952 ( 0.170 0.000 0.548) 0.574 12.031 ( -0.165 0.000 -0.686) 0.706 12.031 ( -0.165 0.000 0.686) 0.706 12.876 ( 0.766 0.000 -3.430) 3.514 12.876 ( 0.766 0.000 3.430) 3.514 13.156 ( -0.695 0.000 -6.186) 6.225 13.156 ( -0.695 0.000 6.186) 6.225 17.024 ( 10.621 0.000 -3.350) 11.137 17.024 ( 10.621 0.000 3.350) 11.137 17.241 ( -10.587 0.000 -1.527) 10.696 17.241 ( -10.587 0.000 1.527) 10.696 28.460 ( 0.002 0.000 -0.439) 0.439 28.460 ( 0.002 0.000 0.439) 0.439 28.548 ( -0.002 0.000 -0.148) 0.148 28.548 ( -0.002 0.000 0.148) 0.148 31.741 ( 0.138 0.000 -1.408) 1.415 31.741 ( 0.138 0.000 1.408) 1.415 32.679 ( -0.039 0.000 -0.252) 0.255 32.679 ( -0.039 0.000 0.252) 0.255 84.099 ( 0.060 0.000 -1.673) 1.674 84.099 ( 0.060 0.000 1.673) 1.674 86.746 ( -1.015 0.000 -8.582) 8.642 86.746 ( -1.015 0.000 8.582) 8.642 ======================= Grid point 385 (124/144) ======================= q-point: ( 0.00 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.749 ( 0.000 3.362 -7.264) 8.005 1.749 ( 0.000 3.362 7.264) 8.005 2.183 ( 0.000 18.749 -9.540) 21.037 2.183 ( 0.000 18.749 9.540) 21.037 2.724 ( 0.000 11.959 -6.501) 13.612 2.724 ( 0.000 11.959 6.501) 13.612 3.016 ( 0.000 7.431 -2.522) 7.847 3.016 ( 0.000 7.431 2.522) 7.847 3.964 ( 0.000 2.170 -3.704) 4.293 3.964 ( 0.000 2.170 3.704) 4.293 5.107 ( 0.000 -3.260 -5.870) 6.714 5.107 ( 0.000 -3.260 5.870) 6.714 7.483 ( 0.000 3.032 -1.593) 3.425 7.483 ( 0.000 3.032 1.593) 3.425 7.747 ( 0.000 7.053 -4.159) 8.188 7.747 ( 0.000 7.053 4.159) 8.188 8.459 ( 0.000 6.080 -2.981) 6.772 8.459 ( 0.000 6.080 2.981) 6.772 8.615 ( 0.000 1.896 -2.407) 3.064 8.615 ( 0.000 1.896 2.407) 3.064 9.897 ( 0.000 -1.847 -2.222) 2.889 9.897 ( 0.000 -1.847 2.222) 2.889 10.715 ( 0.000 -5.511 -10.138) 11.539 10.715 ( 0.000 -5.511 10.138) 11.539 11.968 ( 0.000 -1.151 -1.913) 2.233 11.968 ( 0.000 -1.151 1.913) 2.233 12.058 ( 0.000 6.514 -1.457) 6.675 12.058 ( 0.000 6.514 1.457) 6.675 12.876 ( 0.000 2.294 -5.309) 5.783 12.876 ( 0.000 2.294 5.309) 5.783 13.184 ( 0.000 -0.367 -13.505) 13.510 13.184 ( 0.000 -0.367 13.505) 13.510 16.725 ( 0.000 -6.109 -5.101) 7.959 16.725 ( 0.000 -6.109 5.101) 7.959 17.379 ( 0.000 -9.134 -0.996) 9.188 17.379 ( 0.000 -9.134 0.996) 9.188 28.511 ( 0.000 4.922 -1.897) 5.275 28.511 ( 0.000 4.922 1.897) 5.275 28.622 ( 0.000 7.034 -0.278) 7.040 28.622 ( 0.000 7.034 0.278) 7.040 31.729 ( 0.000 -0.503 -4.301) 4.330 31.729 ( 0.000 -0.503 4.301) 4.330 32.651 ( 0.000 -2.798 -0.688) 2.881 32.651 ( 0.000 -2.798 0.688) 2.881 84.052 ( 0.000 -4.124 -4.588) 6.169 84.052 ( 0.000 -4.124 4.588) 6.169 86.595 ( 0.000 -18.486 -24.611) 30.781 86.595 ( 0.000 -18.486 24.611) 30.781 ======================= Grid point 387 (125/144) ======================= q-point: ( 0.20 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( -7.751 3.990 -5.757) 10.447 1.661 ( -7.751 3.990 5.757) 10.447 2.190 ( 0.572 19.660 -8.209) 21.312 2.190 ( 0.572 19.660 8.209) 21.312 2.734 ( 0.730 12.799 -5.342) 13.888 2.734 ( 0.730 12.799 5.342) 13.888 3.047 ( 2.746 5.569 -2.629) 6.743 3.047 ( 2.746 5.569 2.629) 6.743 4.009 ( 4.332 2.247 -4.679) 6.761 4.009 ( 4.332 2.247 4.679) 6.761 5.075 ( -3.072 -3.301 -5.131) 6.830 5.075 ( -3.072 -3.301 5.131) 6.830 7.500 ( 1.547 4.755 -1.389) 5.190 7.500 ( 1.547 4.755 1.389) 5.190 7.754 ( 0.730 4.222 -4.189) 5.992 7.754 ( 0.730 4.222 4.189) 5.992 8.462 ( 0.312 6.603 -2.724) 7.150 8.462 ( 0.312 6.603 2.724) 7.150 8.599 ( -1.615 2.788 -3.286) 4.602 8.599 ( -1.615 2.788 3.286) 4.602 9.972 ( 7.841 -2.409 -4.547) 9.379 9.972 ( 7.841 -2.409 4.547) 9.379 10.641 ( -7.653 -5.478 -10.335) 13.978 10.641 ( -7.653 -5.478 10.335) 13.978 11.979 ( 1.093 0.084 -2.058) 2.332 11.979 ( 1.093 0.084 2.058) 2.332 12.053 ( -0.509 5.689 -1.728) 5.967 12.053 ( -0.509 5.689 1.728) 5.967 12.876 ( -0.109 1.304 -4.864) 5.037 12.876 ( -0.109 1.304 4.864) 5.037 13.180 ( -0.348 0.233 -11.241) 11.249 13.180 ( -0.348 0.233 11.241) 11.249 16.787 ( 6.417 -6.399 -4.665) 10.192 16.787 ( 6.417 -6.399 4.665) 10.192 17.317 ( -6.307 -8.794 -0.833) 10.854 17.317 ( -6.307 -8.794 0.833) 10.854 28.512 ( 0.016 4.940 -1.539) 5.174 28.512 ( 0.016 4.940 1.539) 5.174 28.622 ( -0.024 7.010 -0.236) 7.014 28.622 ( -0.024 7.010 0.236) 7.014 31.731 ( 0.195 -0.532 -3.468) 3.514 31.731 ( 0.195 -0.532 3.468) 3.514 32.651 ( -0.050 -2.785 -0.567) 2.842 32.651 ( -0.050 -2.785 0.567) 2.842 84.053 ( 0.099 -4.115 -3.743) 5.564 84.053 ( 0.099 -4.115 3.743) 5.564 86.580 ( -1.399 -18.252 -19.881) 27.025 86.580 ( -1.399 -18.252 19.881) 27.025 ======================= Grid point 389 (126/144) ======================= q-point: ( 0.40 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( -4.356 5.165 -2.162) 7.094 1.532 ( -4.356 5.165 2.162) 7.094 2.198 ( 0.197 20.603 -3.286) 20.865 2.198 ( 0.197 20.603 3.286) 20.865 2.744 ( 0.279 13.832 -2.059) 13.988 2.744 ( 0.279 13.832 2.059) 13.988 3.091 ( 1.409 3.380 -1.284) 3.880 3.091 ( 1.409 3.380 1.284) 3.880 4.091 ( 3.097 2.376 -2.669) 4.729 4.091 ( 3.097 2.376 2.669) 4.729 5.017 ( -2.256 -3.415 -2.302) 4.696 5.017 ( -2.256 -3.415 2.302) 4.696 7.526 ( 0.895 8.158 -0.568) 8.227 7.526 ( 0.895 8.158 0.568) 8.227 7.769 ( 0.623 -1.245 -2.200) 2.604 7.769 ( 0.623 -1.245 2.200) 2.604 8.471 ( 0.443 7.916 -1.343) 8.041 8.471 ( 0.443 7.916 1.343) 8.041 8.565 ( -1.466 3.982 -1.900) 4.649 8.565 ( -1.466 3.982 1.900) 4.649 10.171 ( 12.269 -3.252 -7.374) 14.680 10.171 ( 12.269 -3.252 7.374) 14.680 10.446 ( -12.023 -5.413 -9.491) 16.246 10.446 ( -12.023 -5.413 9.491) 16.246 12.003 ( 1.143 3.516 -1.688) 4.065 12.003 ( 1.143 3.516 1.688) 4.065 12.040 ( -0.811 2.872 -1.583) 3.378 12.040 ( -0.811 2.872 1.583) 3.378 12.873 ( -0.134 -0.274 -2.144) 2.166 12.873 ( -0.134 -0.274 2.144) 2.166 13.175 ( -0.136 1.200 -4.452) 4.613 13.175 ( -0.136 1.200 4.452) 4.613 16.948 ( 9.921 -7.264 -3.330) 12.738 16.948 ( 9.921 -7.264 3.330) 12.738 17.158 ( -9.856 -7.850 -1.688) 12.713 17.158 ( -9.856 -7.850 1.688) 12.713 28.512 ( 0.010 4.968 -0.591) 5.003 28.512 ( 0.010 4.968 0.591) 5.003 28.622 ( -0.015 6.970 -0.097) 6.970 28.622 ( -0.015 6.970 0.097) 6.970 31.735 ( 0.120 -0.579 -1.318) 1.445 31.735 ( 0.120 -0.579 1.318) 1.445 32.650 ( -0.031 -2.763 -0.222) 2.772 32.650 ( -0.031 -2.763 0.222) 2.772 84.055 ( 0.063 -4.101 -1.450) 4.350 84.055 ( 0.063 -4.101 1.450) 4.350 86.555 ( -0.862 -17.875 -7.576) 19.434 86.555 ( -0.862 -17.875 7.576) 19.434 ======================= Grid point 395 (127/144) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.863 ( 0.000 7.635 -4.417) 8.821 1.863 ( 0.000 7.635 4.417) 8.821 2.512 ( 0.000 9.413 -5.925) 11.122 2.512 ( 0.000 9.413 5.925) 11.122 3.034 ( 0.000 16.050 -6.814) 17.437 3.034 ( 0.000 16.050 6.814) 17.437 3.298 ( 0.000 20.741 -4.370) 21.197 3.298 ( 0.000 20.741 4.370) 21.197 4.074 ( 0.000 9.824 -1.486) 9.936 4.074 ( 0.000 9.824 1.486) 9.936 5.009 ( 0.000 -6.230 -5.586) 8.367 5.009 ( 0.000 -6.230 5.586) 8.367 7.485 ( 0.000 -2.195 -1.587) 2.709 7.485 ( 0.000 -2.195 1.587) 2.709 7.938 ( 0.000 7.995 -3.183) 8.605 7.938 ( 0.000 7.995 3.183) 8.605 8.543 ( 0.000 2.731 -3.206) 4.212 8.543 ( 0.000 2.731 3.206) 4.212 8.779 ( 0.000 13.399 -3.040) 13.739 8.779 ( 0.000 13.399 3.040) 13.739 9.854 ( 0.000 -1.787 -0.597) 1.884 9.854 ( 0.000 -1.787 0.597) 1.884 10.572 ( 0.000 -7.886 -6.558) 10.257 10.572 ( 0.000 -7.886 6.558) 10.257 11.978 ( 0.000 3.800 -0.171) 3.804 11.978 ( 0.000 3.800 0.171) 3.804 12.269 ( 0.000 12.624 -3.395) 13.073 12.269 ( 0.000 12.624 3.395) 13.073 12.892 ( 0.000 -0.948 -8.022) 8.078 12.892 ( 0.000 -0.948 8.022) 8.078 13.171 ( 0.000 -1.073 -6.811) 6.895 13.171 ( 0.000 -1.073 6.811) 6.895 16.549 ( 0.000 -10.597 -4.452) 11.494 16.549 ( 0.000 -10.597 4.452) 11.494 17.119 ( 0.000 -15.481 -0.288) 15.484 17.119 ( 0.000 -15.481 0.288) 15.484 28.655 ( 0.000 8.809 -2.387) 9.126 28.655 ( 0.000 8.809 2.387) 9.126 28.821 ( 0.000 11.751 -0.315) 11.756 28.821 ( 0.000 11.751 0.315) 11.756 31.716 ( 0.000 -0.647 -3.504) 3.563 31.716 ( 0.000 -0.647 3.504) 3.563 32.569 ( 0.000 -5.090 -0.426) 5.108 32.569 ( 0.000 -5.090 0.426) 5.108 83.938 ( 0.000 -6.635 -2.920) 7.249 83.938 ( 0.000 -6.635 2.920) 7.249 86.086 ( 0.000 -29.490 -17.096) 34.087 86.086 ( 0.000 -29.490 17.096) 34.087 ======================= Grid point 397 (128/144) ======================= q-point: ( 0.20 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( -6.178 8.559 -3.528) 11.130 1.792 ( -6.178 8.559 3.528) 11.130 2.550 ( 3.147 10.770 -5.685) 12.578 2.550 ( 3.147 10.770 5.685) 12.578 3.044 ( 0.913 15.353 -5.590) 16.365 3.044 ( 0.913 15.353 5.590) 16.365 3.298 ( -0.009 20.314 -3.938) 20.693 3.298 ( -0.009 20.314 3.938) 20.693 4.118 ( 4.216 9.493 -2.872) 10.777 4.118 ( 4.216 9.493 2.872) 10.777 4.975 ( -3.255 -6.364 -4.941) 8.690 4.975 ( -3.255 -6.364 4.941) 8.690 7.525 ( 4.167 -1.827 -1.837) 4.907 7.525 ( 4.167 -1.827 1.837) 4.907 7.886 ( -5.108 5.561 -3.278) 8.232 7.886 ( -5.108 5.561 3.278) 8.232 8.584 ( 3.768 5.463 -5.459) 8.593 8.584 ( 3.768 5.463 5.459) 8.593 8.769 ( -1.143 13.097 -3.473) 13.598 8.769 ( -1.143 13.097 3.473) 13.598 9.914 ( 6.407 -2.630 -2.206) 7.269 9.914 ( 6.407 -2.630 2.206) 7.269 10.501 ( -7.315 -7.490 -6.666) 12.412 10.501 ( -7.315 -7.490 6.666) 12.412 12.008 ( 3.117 4.348 -2.458) 5.887 12.008 ( 3.117 4.348 2.458) 5.887 12.246 ( -2.500 11.530 -3.592) 12.333 12.246 ( -2.500 11.530 3.592) 12.333 12.884 ( -0.723 -0.402 -6.570) 6.621 12.884 ( -0.723 -0.402 6.570) 6.621 13.173 ( 0.128 -1.284 -5.447) 5.597 13.173 ( 0.128 -1.284 5.447) 5.597 16.603 ( 5.563 -11.066 -4.168) 13.069 16.603 ( 5.563 -11.066 4.168) 13.069 17.067 ( -5.329 -14.931 -1.085) 15.890 17.067 ( -5.329 -14.931 1.085) 15.890 28.656 ( 0.075 8.851 -1.947) 9.063 28.656 ( 0.075 8.851 1.947) 9.063 28.820 ( -0.096 11.703 -0.293) 11.707 28.820 ( -0.096 11.703 0.293) 11.707 31.718 ( 0.128 -0.684 -2.829) 2.913 31.718 ( 0.128 -0.684 2.829) 2.913 32.569 ( -0.020 -5.074 -0.356) 5.086 32.569 ( -0.020 -5.074 0.356) 5.086 83.939 ( 0.143 -6.595 -2.386) 7.015 83.939 ( 0.143 -6.595 2.386) 7.015 86.076 ( -0.917 -29.254 -13.825) 32.370 86.076 ( -0.917 -29.254 13.825) 32.370 ======================= Grid point 399 (129/144) ======================= q-point: ( 0.40 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( -3.311 10.066 -1.315) 10.678 1.691 ( -3.311 10.066 1.315) 10.678 2.597 ( 1.367 12.819 -2.533) 13.138 2.597 ( 1.367 12.819 2.533) 13.138 3.061 ( 0.603 14.451 -2.151) 14.623 3.061 ( 0.603 14.451 2.151) 14.623 3.297 ( -0.046 19.610 -1.729) 19.686 3.297 ( -0.046 19.610 1.729) 19.686 4.198 ( 3.117 9.131 -1.909) 9.835 4.198 ( 3.117 9.131 1.909) 9.835 4.912 ( -2.494 -6.770 -2.292) 7.570 4.912 ( -2.494 -6.770 2.292) 7.570 7.631 ( 6.732 -0.258 -1.847) 6.986 7.631 ( 6.732 -0.258 1.847) 6.986 7.767 ( -7.120 1.362 -2.265) 7.595 7.767 ( -7.120 1.362 2.265) 7.595 8.661 ( 3.998 9.841 -5.473) 11.949 8.661 ( 3.998 9.841 5.473) 11.949 8.733 ( -2.717 11.937 -4.233) 12.954 8.733 ( -2.717 11.937 4.233) 12.954 10.087 ( 11.479 -4.524 -4.675) 13.194 10.087 ( 11.479 -4.524 4.675) 13.194 10.314 ( -11.856 -6.329 -6.367) 14.871 10.314 ( -11.856 -6.329 6.367) 14.871 12.085 ( 4.698 6.125 -3.613) 8.523 12.085 ( 4.698 6.125 3.613) 8.523 12.178 ( -4.412 8.786 -3.721) 10.512 12.178 ( -4.412 8.786 3.721) 10.512 12.872 ( -0.397 0.613 -2.549) 2.652 12.872 ( -0.397 0.613 2.549) 2.652 13.175 ( 0.095 -1.662 -2.046) 2.638 13.175 ( 0.095 -1.662 2.046) 2.638 16.740 ( 8.080 -12.446 -3.122) 15.164 16.740 ( 8.080 -12.446 3.122) 15.164 16.935 ( -7.938 -13.420 -1.985) 15.718 16.935 ( -7.938 -13.420 1.985) 15.718 28.657 ( 0.047 8.922 -0.754) 8.954 28.657 ( 0.047 8.922 0.754) 8.954 28.818 ( -0.060 11.623 -0.134) 11.624 28.818 ( -0.060 11.623 0.134) 11.624 31.720 ( 0.079 -0.743 -1.077) 1.311 31.720 ( 0.079 -0.743 1.077) 1.311 32.568 ( -0.012 -5.048 -0.143) 5.050 32.568 ( -0.012 -5.048 0.143) 5.050 83.942 ( 0.089 -6.530 -0.927) 6.596 83.942 ( 0.089 -6.530 0.927) 6.596 86.060 ( -0.567 -28.875 -5.278) 29.359 86.060 ( -0.567 -28.875 5.278) 29.359 ======================= Grid point 405 (130/144) ======================= q-point: ( 0.00 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.054 ( 0.000 10.572 -0.963) 10.616 2.054 ( 0.000 10.572 0.963) 10.616 2.603 ( 0.000 1.506 -3.075) 3.424 2.603 ( 0.000 1.506 3.075) 3.424 3.213 ( 0.000 1.354 -7.668) 7.787 3.213 ( 0.000 1.354 7.668) 7.787 3.857 ( 0.000 30.203 -5.995) 30.792 3.857 ( 0.000 30.203 5.995) 30.792 4.378 ( 0.000 17.877 -3.339) 18.187 4.378 ( 0.000 17.877 3.339) 18.187 4.866 ( 0.000 -6.434 -3.673) 7.409 4.866 ( 0.000 -6.434 3.673) 7.409 7.418 ( 0.000 -3.963 -2.363) 4.615 7.418 ( 0.000 -3.963 2.363) 4.615 7.996 ( 0.000 -1.855 -4.525) 4.891 7.996 ( 0.000 -1.855 4.525) 4.891 8.606 ( 0.000 2.615 -1.245) 2.897 8.606 ( 0.000 2.615 1.245) 2.897 9.087 ( 0.000 15.065 -3.536) 15.474 9.087 ( 0.000 15.065 3.536) 15.474 9.841 ( 0.000 0.522 -0.082) 0.528 9.841 ( 0.000 0.522 0.082) 0.528 10.412 ( 0.000 -7.184 -2.673) 7.665 10.412 ( 0.000 -7.184 2.673) 7.665 12.134 ( 0.000 10.825 -1.626) 10.946 12.134 ( 0.000 10.825 1.626) 10.946 12.534 ( 0.000 11.414 -2.153) 11.615 12.534 ( 0.000 11.414 2.153) 11.615 12.862 ( 0.000 -0.481 -7.546) 7.561 12.862 ( 0.000 -0.481 7.546) 7.561 13.137 ( 0.000 -2.073 -0.969) 2.289 13.137 ( 0.000 -2.073 0.969) 2.289 16.308 ( 0.000 -12.376 -3.403) 12.835 16.308 ( 0.000 -12.376 3.403) 12.835 16.772 ( 0.000 -17.530 -1.335) 17.580 16.772 ( 0.000 -17.530 1.335) 17.580 28.862 ( 0.000 11.035 -2.432) 11.300 28.862 ( 0.000 11.035 2.432) 11.300 29.082 ( 0.000 13.067 -0.521) 13.078 29.082 ( 0.000 13.067 0.521) 13.078 31.706 ( 0.000 -0.219 -2.436) 2.446 31.706 ( 0.000 -0.219 2.436) 2.446 32.448 ( 0.000 -6.540 -0.071) 6.540 32.448 ( 0.000 -6.540 0.071) 6.540 83.795 ( 0.000 -6.906 -1.231) 7.015 83.795 ( 0.000 -6.906 1.231) 7.015 85.446 ( 0.000 -31.470 -9.483) 32.868 85.446 ( 0.000 -31.470 9.483) 32.868 ======================= Grid point 407 (131/144) ======================= q-point: ( 0.20 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.001 ( -4.452 11.466 -1.474) 12.388 2.001 ( -4.452 11.466 1.474) 12.388 2.649 ( 3.814 1.170 -3.197) 5.112 2.649 ( 3.814 1.170 3.197) 5.112 3.226 ( 1.246 2.108 -6.663) 7.099 3.226 ( 1.246 2.108 6.663) 7.099 3.856 ( -0.076 30.320 -4.736) 30.688 3.856 ( -0.076 30.320 4.736) 30.688 4.411 ( 3.305 17.184 -3.335) 17.814 4.411 ( 3.305 17.184 3.335) 17.814 4.828 ( -3.806 -6.640 -3.411) 8.380 4.828 ( -3.806 -6.640 3.411) 8.380 7.460 ( 4.326 -4.058 -2.766) 6.544 7.460 ( 4.326 -4.058 2.766) 6.544 7.915 ( -7.446 -2.233 -4.949) 9.215 7.915 ( -7.446 -2.233 4.949) 9.215 8.689 ( 7.551 3.740 -5.768) 10.211 8.689 ( 7.551 3.740 5.768) 10.211 9.061 ( -2.828 13.652 -4.939) 14.791 9.061 ( -2.828 13.652 4.939) 14.791 9.888 ( 4.928 0.312 -0.661) 4.982 9.888 ( 4.928 0.312 0.661) 4.982 10.358 ( -5.468 -5.842 -2.828) 8.487 10.358 ( -5.468 -5.842 2.828) 8.487 12.164 ( 3.115 10.161 -3.681) 11.247 12.164 ( 3.115 10.161 3.681) 11.247 12.485 ( -4.818 10.394 -3.767) 12.059 12.485 ( -4.818 10.394 3.767) 12.059 12.882 ( 1.838 1.201 -5.862) 6.260 12.882 ( 1.838 1.201 5.862) 6.260 13.127 ( -0.961 -2.733 -0.964) 3.054 13.127 ( -0.961 -2.733 0.964) 3.054 16.353 ( 4.560 -12.797 -3.300) 13.980 16.353 ( 4.560 -12.797 3.300) 13.980 16.732 ( -4.140 -16.990 -1.745) 17.574 16.732 ( -4.140 -16.990 1.745) 17.574 28.864 ( 0.174 11.095 -1.994) 11.274 28.864 ( 0.174 11.095 1.994) 11.274 29.080 ( -0.203 13.004 -0.460) 13.014 29.080 ( -0.203 13.004 0.460) 13.014 31.707 ( 0.072 -0.239 -1.970) 1.985 31.707 ( 0.072 -0.239 1.970) 1.985 32.448 ( 0.002 -6.536 -0.093) 6.536 32.448 ( 0.002 -6.536 0.093) 6.536 83.798 ( 0.259 -6.823 -1.018) 6.903 83.798 ( 0.259 -6.823 1.018) 6.903 85.439 ( -0.603 -31.381 -7.681) 32.313 85.439 ( -0.603 -31.381 7.681) 32.313 ======================= Grid point 409 (132/144) ======================= q-point: ( 0.40 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.931 ( -2.265 12.852 -0.708) 13.069 1.931 ( -2.265 12.852 0.708) 13.069 2.707 ( 1.762 0.635 -1.488) 2.392 2.707 ( 1.762 0.635 1.488) 2.392 3.249 ( 0.879 3.453 -2.806) 4.535 3.249 ( 0.879 3.453 2.806) 4.535 3.854 ( -0.071 30.514 -1.746) 30.564 3.854 ( -0.071 30.514 1.746) 30.564 4.485 ( 3.520 17.572 -2.123) 18.046 4.485 ( 3.520 17.572 2.123) 18.046 4.745 ( -3.814 -8.546 -2.041) 9.578 4.745 ( -3.814 -8.546 2.041) 9.578 7.568 ( 6.411 -4.490 -3.040) 8.397 7.568 ( 6.411 -4.490 3.040) 8.397 7.761 ( -7.797 -2.440 -3.884) 9.046 7.761 ( -7.797 -2.440 3.884) 9.046 8.843 ( 7.947 6.577 -7.074) 12.508 8.843 ( 7.947 6.577 7.074) 12.508 8.980 ( -5.652 10.389 -6.501) 13.496 8.980 ( -5.652 10.389 6.501) 13.496 10.014 ( 7.603 -1.711 -1.599) 7.955 10.014 ( 7.603 -1.711 1.599) 7.955 10.224 ( -7.839 -2.173 -2.491) 8.508 10.224 ( -7.839 -2.173 2.491) 8.508 12.246 ( 5.334 8.477 -5.209) 11.289 12.246 ( 5.334 8.477 5.209) 11.289 12.374 ( -6.318 10.011 -5.146) 12.908 12.374 ( -6.318 10.011 5.146) 12.908 12.915 ( 1.215 3.766 -2.243) 4.548 12.915 ( 1.215 3.766 2.243) 4.548 13.108 ( -0.753 -4.285 -0.557) 4.386 13.108 ( -0.753 -4.285 0.557) 4.386 16.462 ( 6.197 -13.930 -2.632) 15.472 16.462 ( 6.197 -13.930 2.632) 15.472 16.630 ( -5.940 -15.666 -2.084) 16.884 16.630 ( -5.940 -15.666 2.084) 16.884 28.867 ( 0.111 11.197 -0.780) 11.225 28.867 ( 0.111 11.197 0.780) 11.225 29.076 ( -0.129 12.898 -0.200) 12.900 29.076 ( -0.129 12.898 0.200) 12.900 31.708 ( 0.044 -0.270 -0.752) 0.800 31.708 ( 0.044 -0.270 0.752) 0.800 32.448 ( 0.001 -6.529 -0.050) 6.529 32.448 ( 0.001 -6.529 0.050) 6.529 83.802 ( 0.162 -6.687 -0.403) 6.701 83.802 ( 0.162 -6.687 0.403) 6.701 85.428 ( -0.374 -31.239 -2.939) 31.379 85.428 ( -0.374 -31.239 2.939) 31.379 ======================= Grid point 415 (133/144) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.276 ( 0.000 10.176 -3.468) 10.750 2.276 ( 0.000 10.176 3.468) 10.750 2.626 ( 0.000 1.883 -0.162) 1.890 2.626 ( 0.000 1.883 0.162) 1.890 3.151 ( 0.000 -6.217 -7.272) 9.567 3.151 ( 0.000 -6.217 7.272) 9.567 4.327 ( 0.000 5.167 -2.391) 5.693 4.327 ( 0.000 5.167 2.391) 5.693 4.663 ( 0.000 15.165 -8.090) 17.188 4.663 ( 0.000 15.165 8.090) 17.188 4.936 ( 0.000 15.732 -3.572) 16.132 4.936 ( 0.000 15.732 3.572) 16.132 7.334 ( 0.000 -3.992 -2.668) 4.802 7.334 ( 0.000 -3.992 2.668) 4.802 7.911 ( 0.000 -5.402 -6.492) 8.445 7.911 ( 0.000 -5.402 6.492) 8.445 8.631 ( 0.000 0.004 -0.222) 0.222 8.631 ( 0.000 0.004 0.222) 0.222 9.340 ( 0.000 8.289 -5.375) 9.879 9.340 ( 0.000 8.289 5.375) 9.879 9.863 ( 0.000 1.724 -0.902) 1.945 9.863 ( 0.000 1.724 0.902) 1.945 10.293 ( 0.000 -4.172 -0.214) 4.178 10.293 ( 0.000 -4.172 0.214) 4.178 12.374 ( 0.000 10.610 -5.393) 11.902 12.374 ( 0.000 10.610 5.393) 11.902 12.634 ( 0.000 -0.423 -5.825) 5.840 12.634 ( 0.000 -0.423 5.825) 5.840 12.976 ( 0.000 10.472 -3.008) 10.896 12.976 ( 0.000 10.472 3.008) 10.896 13.108 ( 0.000 0.187 -1.957) 1.966 13.108 ( 0.000 0.187 1.957) 1.966 16.060 ( 0.000 -11.382 -2.205) 11.593 16.060 ( 0.000 -11.382 2.205) 11.593 16.428 ( 0.000 -15.401 -1.458) 15.470 16.428 ( 0.000 -15.401 1.458) 15.470 29.095 ( 0.000 11.305 -2.169) 11.511 29.095 ( 0.000 11.305 2.169) 11.511 29.337 ( 0.000 11.306 -0.539) 11.319 29.337 ( 0.000 11.306 0.539) 11.319 31.711 ( 0.000 0.786 -1.341) 1.554 31.711 ( 0.000 0.786 1.341) 1.554 32.306 ( 0.000 -7.068 -0.291) 7.074 32.306 ( 0.000 -7.068 0.291) 7.074 83.667 ( 0.000 -5.286 -0.238) 5.291 83.667 ( 0.000 -5.286 0.238) 5.291 84.834 ( 0.000 -27.318 -3.941) 27.600 84.834 ( 0.000 -27.318 3.941) 27.600 ======================= Grid point 417 (134/144) ======================= q-point: ( 0.20 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.244 ( -2.622 11.551 -3.005) 12.220 2.244 ( -2.622 11.551 3.005) 12.220 2.656 ( 2.390 0.440 -0.942) 2.606 2.656 ( 2.390 0.440 0.942) 2.606 3.181 ( 2.861 -5.339 -6.689) 9.024 3.181 ( 2.861 -5.339 6.689) 9.024 4.325 ( -0.267 3.838 -1.801) 4.248 4.325 ( -0.267 3.838 1.801) 4.248 4.654 ( -0.832 14.529 -6.916) 16.113 4.654 ( -0.832 14.529 6.916) 16.113 4.928 ( -0.682 17.232 -3.435) 17.584 4.928 ( -0.682 17.232 3.435) 17.584 7.373 ( 4.037 -4.139 -3.076) 6.549 7.373 ( 4.037 -4.139 3.076) 6.549 7.833 ( -7.280 -4.990 -6.431) 10.920 7.833 ( -7.280 -4.990 6.431) 10.920 8.722 ( 8.612 -0.165 -5.510) 10.225 8.722 ( 8.612 -0.165 5.510) 10.225 9.273 ( -6.602 6.033 -6.623) 11.129 9.273 ( -6.602 6.033 6.623) 11.129 9.922 ( 5.457 2.878 -1.704) 6.401 9.922 ( 5.457 2.878 1.704) 6.401 10.271 ( -2.352 -2.770 -0.391) 3.655 10.271 ( -2.352 -2.770 0.391) 3.655 12.380 ( 0.614 9.177 -6.254) 11.122 12.380 ( 0.614 9.177 6.254) 11.122 12.609 ( -2.379 1.975 -6.480) 7.180 12.609 ( -2.379 1.975 6.480) 7.180 12.985 ( 1.069 8.397 -2.616) 8.860 12.985 ( 1.069 8.397 2.616) 8.860 13.093 ( -1.476 0.623 -1.900) 2.485 13.093 ( -1.476 0.623 1.900) 2.485 16.098 ( 3.873 -11.601 -2.233) 12.432 16.098 ( 3.873 -11.601 2.233) 12.432 16.397 ( -3.179 -15.008 -1.707) 15.436 16.397 ( -3.179 -15.008 1.707) 15.436 29.098 ( 0.308 11.385 -1.791) 11.529 29.098 ( 0.308 11.385 1.791) 11.529 29.333 ( -0.343 11.222 -0.478) 11.237 29.333 ( -0.343 11.222 0.478) 11.237 31.712 ( 0.064 0.799 -1.087) 1.350 31.712 ( 0.064 0.799 1.087) 1.350 32.306 ( -0.010 -7.086 -0.240) 7.090 32.306 ( -0.010 -7.086 0.240) 7.090 83.672 ( 0.468 -5.145 -0.218) 5.171 83.672 ( 0.468 -5.145 0.218) 5.171 84.828 ( -0.584 -27.383 -3.200) 27.576 84.828 ( -0.584 -27.383 3.200) 27.576 ======================= Grid point 419 (135/144) ======================= q-point: ( 0.40 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.204 ( -1.244 13.400 -1.221) 13.513 2.204 ( -1.244 13.400 1.222) 13.513 2.690 ( 0.983 -1.486 -0.532) 1.859 2.690 ( 0.983 -1.486 0.532) 1.859 3.234 ( 1.984 -3.834 -3.028) 5.273 3.234 ( 1.984 -3.834 3.028) 5.273 4.319 ( -0.243 1.299 -0.648) 1.472 4.319 ( -0.243 1.299 0.648) 1.472 4.639 ( -0.566 13.781 -2.830) 14.080 4.639 ( -0.566 13.781 2.830) 14.080 4.917 ( -0.392 19.650 -1.599) 19.719 4.917 ( -0.392 19.650 1.599) 19.719 7.472 ( 5.554 -4.542 -3.208) 7.859 7.472 ( 5.554 -4.542 3.208) 7.859 7.684 ( -7.088 -4.432 -4.527) 9.506 7.684 ( -7.088 -4.432 4.527) 9.506 8.912 ( 10.708 0.497 -7.335) 12.989 8.912 ( 10.708 0.497 7.335) 12.989 9.115 ( -9.661 2.611 -7.463) 12.484 9.115 ( -9.661 2.611 7.463) 12.484 10.031 ( 4.889 2.986 -1.175) 5.848 10.031 ( 4.889 2.986 1.175) 5.848 10.212 ( -3.223 0.393 -0.614) 3.304 10.212 ( -3.223 0.393 0.614) 3.304 12.395 ( 0.692 5.610 -4.145) 7.010 12.395 ( 0.692 5.610 4.145) 7.010 12.563 ( -1.844 6.805 -4.176) 8.194 12.563 ( -1.844 6.805 4.176) 8.194 13.015 ( 2.010 4.286 -2.042) 5.156 13.015 ( 2.010 4.286 2.042) 5.156 13.057 ( -2.218 2.356 -1.834) 3.719 13.057 ( -2.218 2.356 1.834) 3.719 16.191 ( 5.399 -12.079 -2.061) 13.391 16.191 ( 5.399 -12.079 2.061) 13.391 16.316 ( -4.974 -14.253 -1.897) 15.215 16.316 ( -4.974 -14.253 1.897) 15.215 29.104 ( 0.201 11.526 -0.709) 11.550 29.104 ( 0.201 11.526 0.709) 11.550 29.327 ( -0.223 11.073 -0.211) 11.078 29.327 ( -0.223 11.073 0.211) 11.078 31.713 ( 0.040 0.820 -0.416) 0.921 31.713 ( 0.040 0.820 0.416) 0.921 32.306 ( -0.006 -7.116 -0.094) 7.117 32.306 ( -0.006 -7.116 0.094) 7.117 83.680 ( 0.294 -4.910 -0.098) 4.919 83.680 ( 0.294 -4.910 0.098) 4.919 84.817 ( -0.366 -27.497 -1.230) 27.527 84.817 ( -0.366 -27.497 1.230) 27.527 ======================= Grid point 425 (136/144) ======================= q-point: ( 0.00 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.417 ( 0.000 2.857 -6.536) 7.133 2.417 ( 0.000 2.857 6.536) 7.133 2.739 ( 0.000 9.723 -1.388) 9.822 2.739 ( 0.000 9.723 1.388) 9.822 2.993 ( 0.000 -8.441 -5.075) 9.849 2.993 ( 0.000 -8.441 5.075) 9.849 4.151 ( 0.000 -14.394 -4.538) 15.093 4.151 ( 0.000 -14.394 4.538) 15.093 5.091 ( 0.000 20.375 -0.139) 20.375 5.091 ( 0.000 20.375 0.139) 20.375 5.279 ( 0.000 14.998 -1.841) 15.111 5.279 ( 0.000 14.998 1.841) 15.111 7.263 ( 0.000 -2.736 -2.135) 3.471 7.263 ( 0.000 -2.736 2.135) 3.471 7.797 ( 0.000 -5.344 -6.589) 8.484 7.797 ( 0.000 -5.344 6.589) 8.484 8.624 ( 0.000 -0.339 -0.372) 0.503 8.624 ( 0.000 -0.339 0.372) 0.503 9.405 ( 0.000 -1.172 -5.928) 6.043 9.405 ( 0.000 -1.172 5.928) 6.043 9.923 ( 0.000 3.852 -1.959) 4.322 9.923 ( 0.000 3.852 1.959) 4.322 10.231 ( 0.000 -2.290 -0.712) 2.398 10.231 ( 0.000 -2.290 0.712) 2.398 12.457 ( 0.000 -1.942 -9.234) 9.436 12.457 ( 0.000 -1.942 9.234) 9.436 12.689 ( 0.000 5.569 -2.921) 6.289 12.689 ( 0.000 5.569 2.921) 6.289 13.101 ( 0.000 3.190 -3.398) 4.661 13.101 ( 0.000 3.190 3.398) 4.661 13.243 ( 0.000 10.435 -3.683) 11.066 13.243 ( 0.000 10.435 3.683) 11.066 15.854 ( 0.000 -8.367 -1.164) 8.448 15.854 ( 0.000 -8.367 1.164) 8.448 16.157 ( 0.000 -10.697 -0.809) 10.728 16.157 ( 0.000 -10.697 0.809) 10.728 29.313 ( 0.000 9.593 -1.701) 9.743 29.313 ( 0.000 9.593 1.701) 9.743 29.533 ( 0.000 7.543 -0.333) 7.550 29.533 ( 0.000 7.543 0.333) 7.550 31.741 ( 0.000 2.157 -0.405) 2.194 31.741 ( 0.000 2.157 0.405) 2.194 32.163 ( 0.000 -6.799 -0.578) 6.824 32.163 ( 0.000 -6.799 0.578) 6.824 83.586 ( 0.000 -2.505 -0.080) 2.506 83.586 ( 0.000 -2.505 0.080) 2.506 84.342 ( 0.000 -20.308 -0.715) 20.320 84.342 ( 0.000 -20.308 0.715) 20.320 ======================= Grid point 427 (137/144) ======================= q-point: ( 0.20 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.429 ( 1.346 5.164 -5.930) 7.978 2.429 ( 1.346 5.164 5.930) 7.978 2.712 ( -2.437 5.824 -2.032) 6.633 2.712 ( -2.437 5.824 2.032) 6.633 3.049 ( 5.081 -6.230 -5.127) 9.535 3.049 ( 5.081 -6.230 5.127) 9.535 4.127 ( -2.337 -15.002 -4.303) 15.781 4.127 ( -2.337 -15.002 4.303) 15.781 5.087 ( -0.393 20.588 -0.176) 20.593 5.087 ( -0.393 20.588 0.176) 20.593 5.281 ( 0.146 15.028 -1.511) 15.105 5.281 ( 0.146 15.028 1.511) 15.105 7.299 ( 3.779 -2.837 -2.518) 5.354 7.299 ( 3.779 -2.837 2.518) 5.354 7.729 ( -6.480 -4.806 -6.156) 10.148 7.729 ( -6.480 -4.806 6.156) 10.148 8.705 ( 7.960 -1.003 -4.264) 9.086 8.705 ( 7.960 -1.003 4.264) 9.086 9.310 ( -8.886 -1.462 -6.069) 10.860 9.310 ( -8.886 -1.462 6.069) 10.860 9.996 ( 6.234 3.785 -1.824) 7.517 9.996 ( 6.234 3.785 1.824) 7.517 10.230 ( -0.211 -1.567 -0.562) 1.677 10.230 ( -0.211 -1.567 0.562) 1.677 12.462 ( 0.521 -0.840 -8.676) 8.732 12.462 ( 0.521 -0.840 8.676) 8.732 12.664 ( -2.361 3.830 -3.835) 5.912 12.664 ( -2.361 3.830 3.835) 5.912 13.105 ( 0.490 4.271 -3.225) 5.374 13.105 ( 0.490 4.271 3.225) 5.374 13.224 ( -1.853 9.595 -3.553) 10.399 13.224 ( -1.853 9.595 3.553) 10.399 15.889 ( 3.527 -8.484 -1.215) 9.268 15.889 ( 3.527 -8.484 1.215) 9.268 16.134 ( -2.475 -10.383 -1.016) 10.723 16.134 ( -2.475 -10.383 1.016) 10.723 29.319 ( 0.506 9.719 -1.425) 9.836 29.319 ( 0.506 9.719 1.425) 9.836 29.527 ( -0.552 7.410 -0.330) 7.438 29.527 ( -0.552 7.410 0.330) 7.438 31.743 ( 0.129 2.214 -0.329) 2.242 31.743 ( 0.129 2.214 0.329) 2.242 32.162 ( -0.077 -6.856 -0.468) 6.872 32.162 ( -0.077 -6.856 0.468) 6.872 83.595 ( 0.846 -2.235 -0.068) 2.391 83.595 ( 0.846 -2.235 0.068) 2.391 84.333 ( -0.874 -20.552 -0.580) 20.578 84.333 ( -0.874 -20.552 0.580) 20.578 ======================= Grid point 429 (138/144) ======================= q-point: ( 0.40 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.459 ( 1.301 10.365 -2.913) 10.845 2.459 ( 1.301 10.365 2.913) 10.845 2.667 ( -1.770 -0.253 -1.391) 2.265 2.667 ( -1.770 -0.253 1.391) 2.265 3.138 ( 3.183 -4.162 -2.507) 5.809 3.138 ( 3.183 -4.162 2.507) 5.809 4.082 ( -1.705 -16.163 -2.102) 16.388 4.082 ( -1.705 -16.163 2.102) 16.388 5.080 ( -0.230 20.918 -0.099) 20.920 5.080 ( -0.230 20.918 0.099) 20.920 5.283 ( 0.085 15.077 -0.588) 15.089 5.283 ( 0.085 15.077 0.588) 15.089 7.393 ( 5.277 -2.953 -2.765) 6.649 7.393 ( 5.277 -2.953 2.765) 6.649 7.593 ( -6.660 -4.253 -4.146) 8.924 7.593 ( -6.660 -4.253 4.146) 8.924 8.892 ( 11.229 -1.761 -5.949) 12.829 8.892 ( 11.229 -1.761 5.949) 12.829 9.112 ( -11.468 -1.978 -6.216) 13.193 9.112 ( -11.468 -1.978 6.216) 13.193 10.105 ( 4.176 3.392 -0.946) 5.462 10.105 ( 4.176 3.392 0.946) 5.462 10.218 ( -1.035 -0.101 -0.343) 1.095 10.218 ( -1.035 -0.101 0.343) 1.095 12.475 ( 0.623 2.191 -4.722) 5.243 12.475 ( 0.623 2.191 4.722) 5.243 12.618 ( -1.832 -0.180 -2.977) 3.500 12.618 ( -1.832 -0.180 2.977) 3.500 13.120 ( 0.903 6.936 -2.251) 7.347 13.120 ( 0.903 6.936 2.251) 7.347 13.186 ( -1.701 7.274 -2.422) 7.853 13.186 ( -1.701 7.274 2.422) 7.853 15.974 ( 5.124 -8.921 -1.297) 10.369 15.974 ( 5.124 -8.921 1.297) 10.369 16.067 ( -4.483 -9.638 -1.260) 10.704 16.067 ( -4.483 -9.638 1.260) 10.704 29.328 ( 0.346 9.965 -0.582) 9.988 29.328 ( 0.346 9.965 0.582) 9.988 29.517 ( -0.374 7.154 -0.170) 7.166 29.517 ( -0.374 7.154 0.170) 7.166 31.745 ( 0.080 2.309 -0.127) 2.314 31.745 ( 0.080 2.309 0.127) 2.314 32.161 ( -0.048 -6.948 -0.179) 6.951 32.161 ( -0.048 -6.948 0.179) 6.951 83.610 ( 0.546 -1.757 -0.028) 1.840 83.610 ( 0.546 -1.757 0.028) 1.840 84.317 ( -0.563 -20.988 -0.222) 20.997 84.317 ( -0.563 -20.988 0.222) 20.997 ======================= Grid point 435 (139/144) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.435 ( 0.000 -0.031 -4.323) 4.323 2.435 ( 0.000 -0.031 4.323) 4.323 2.832 ( 0.000 -6.197 -2.523) 6.690 2.832 ( 0.000 -6.197 2.523) 6.690 2.982 ( 0.000 12.165 -0.305) 12.169 2.982 ( 0.000 12.165 0.305) 12.169 3.841 ( 0.000 -14.439 -3.911) 14.959 3.841 ( 0.000 -14.439 3.911) 14.959 5.424 ( 0.000 11.538 -0.674) 11.558 5.424 ( 0.000 11.538 0.674) 11.558 5.514 ( 0.000 7.549 -0.773) 7.588 5.514 ( 0.000 7.549 0.773) 7.588 7.224 ( 0.000 -1.108 -1.029) 1.512 7.224 ( 0.000 -1.108 1.029) 1.512 7.704 ( 0.000 -3.467 -4.198) 5.444 7.704 ( 0.000 -3.467 4.198) 5.444 8.622 ( 0.000 0.114 -0.562) 0.573 8.622 ( 0.000 0.114 0.562) 0.573 9.351 ( 0.000 -2.850 -3.343) 4.393 9.351 ( 0.000 -2.850 3.343) 4.393 9.995 ( 0.000 2.599 -1.086) 2.817 9.995 ( 0.000 2.599 1.086) 2.817 10.191 ( 0.000 -1.516 -0.258) 1.538 10.191 ( 0.000 -1.516 0.258) 1.538 12.405 ( 0.000 -2.095 -5.303) 5.702 12.405 ( 0.000 -2.095 5.303) 5.702 12.769 ( 0.000 2.025 -1.730) 2.664 12.769 ( 0.000 2.025 1.730) 2.664 13.178 ( 0.000 3.541 -1.656) 3.909 13.178 ( 0.000 3.541 1.656) 3.909 13.422 ( 0.000 6.304 -2.257) 6.695 13.422 ( 0.000 6.304 2.257) 6.695 15.724 ( 0.000 -4.131 -0.390) 4.149 15.724 ( 0.000 -4.131 0.390) 4.149 15.991 ( 0.000 -5.482 -0.228) 5.487 15.991 ( 0.000 -5.482 0.228) 5.487 29.476 ( 0.000 5.914 -1.027) 6.003 29.476 ( 0.000 5.914 1.027) 6.003 29.643 ( 0.000 3.219 -0.057) 3.220 29.643 ( 0.000 3.219 0.057) 3.220 31.799 ( 0.000 3.355 -0.232) 3.363 31.799 ( 0.000 3.355 0.232) 3.363 32.032 ( 0.000 -5.757 -0.684) 5.797 32.032 ( 0.000 -5.757 0.684) 5.797 83.565 ( 0.000 0.360 -0.328) 0.488 83.565 ( 0.000 0.360 0.328) 0.488 84.008 ( 0.000 -11.935 -0.548) 11.947 84.008 ( 0.000 -11.935 0.548) 11.947 ======================= Grid point 437 (140/144) ======================= q-point: ( 0.20 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.473 ( 3.972 0.472 -4.017) 5.669 2.473 ( 3.972 0.472 4.017) 5.669 2.792 ( -3.914 -1.382 -2.095) 4.650 2.792 ( -3.914 -1.382 2.095) 4.650 3.039 ( 5.276 7.592 -2.011) 9.461 3.039 ( 5.276 7.592 2.011) 9.461 3.806 ( -3.513 -15.077 -3.708) 15.919 3.806 ( -3.513 -15.077 3.708) 15.919 5.424 ( -0.048 11.730 -0.562) 11.743 5.424 ( -0.048 11.730 0.562) 11.743 5.515 ( 0.040 7.419 -0.636) 7.446 5.515 ( 0.040 7.419 0.636) 7.446 7.259 ( 3.674 -1.137 -1.305) 4.061 7.259 ( 3.674 -1.137 1.305) 4.061 7.645 ( -5.723 -3.110 -3.825) 7.553 7.645 ( -5.723 -3.110 3.825) 7.553 8.690 ( 6.815 -0.441 -2.312) 7.210 8.690 ( 6.815 -0.441 2.312) 7.210 9.260 ( -8.659 -2.484 -3.363) 9.615 9.260 ( -8.659 -2.484 3.363) 9.615 10.058 ( 5.536 2.076 -0.981) 5.994 10.058 ( 5.536 2.076 0.981) 5.994 10.201 ( 0.840 -1.145 -0.394) 1.474 10.201 ( 0.840 -1.145 0.394) 1.474 12.426 ( 2.269 -1.639 -5.129) 5.843 12.426 ( 2.269 -1.639 5.129) 5.843 12.721 ( -4.779 1.505 -2.420) 5.564 12.721 ( -4.779 1.505 2.420) 5.564 13.196 ( 1.878 3.808 -1.721) 4.581 13.196 ( 1.878 3.808 1.721) 4.581 13.391 ( -3.067 5.946 -2.231) 7.053 13.391 ( -3.067 5.946 2.231) 7.053 15.757 ( 3.310 -4.181 -0.450) 5.352 15.757 ( 3.310 -4.181 0.450) 5.352 15.973 ( -1.930 -5.293 -0.399) 5.648 15.973 ( -1.930 -5.293 0.399) 5.648 29.485 ( 0.866 6.133 -0.898) 6.258 29.485 ( 0.866 6.133 0.898) 6.258 29.633 ( -0.923 2.996 -0.179) 3.140 29.633 ( -0.923 2.996 0.179) 3.140 31.803 ( 0.325 3.529 -0.197) 3.549 31.803 ( 0.325 3.529 0.197) 3.549 32.029 ( -0.270 -5.928 -0.562) 5.961 32.029 ( -0.270 -5.928 0.562) 5.961 83.583 ( 1.675 0.944 -0.315) 1.948 83.583 ( 1.675 0.944 0.315) 1.948 83.990 ( -1.675 -12.511 -0.484) 12.632 83.990 ( -1.675 -12.511 0.484) 12.632 ======================= Grid point 439 (141/144) ======================= q-point: ( 0.40 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.573 ( 6.315 1.425 -3.209) 7.226 2.573 ( 6.315 1.425 3.209) 7.226 2.695 ( -6.185 1.409 -2.353) 6.766 2.695 ( -6.185 1.409 2.353) 6.766 3.138 ( 3.866 5.782 -1.504) 7.117 3.138 ( 3.866 5.782 1.504) 7.117 3.735 ( -2.882 -16.845 -1.938) 17.200 3.735 ( -2.882 -16.845 1.938) 17.200 5.423 ( -0.028 12.032 -0.225) 12.034 5.423 ( -0.028 12.032 0.225) 12.034 5.515 ( 0.024 7.213 -0.249) 7.218 5.515 ( 0.024 7.213 0.249) 7.218 7.354 ( 5.804 -0.917 -1.772) 6.138 7.354 ( 5.804 -0.917 1.772) 6.138 7.517 ( -6.935 -2.945 -2.707) 8.005 7.517 ( -6.935 -2.945 2.707) 8.005 8.857 ( 10.487 -1.344 -3.299) 11.075 8.857 ( 10.487 -1.344 3.299) 11.075 9.066 ( -11.254 -1.996 -3.449) 11.939 9.066 ( -11.254 -1.996 3.449) 11.939 10.154 ( 3.746 1.441 -0.571) 4.054 10.154 ( 3.746 1.441 0.571) 4.054 10.210 ( -0.279 -0.510 -0.355) 0.682 10.210 ( -0.279 -0.510 0.355) 0.682 12.491 ( 4.464 -0.122 -4.305) 6.202 12.491 ( 4.464 -0.122 4.305) 6.202 12.612 ( -6.015 -0.065 -3.329) 6.875 12.612 ( -6.015 -0.065 3.329) 6.875 13.246 ( 3.343 4.504 -1.898) 5.922 13.246 ( 3.343 4.504 1.898) 5.922 13.320 ( -4.094 5.072 -2.102) 6.849 13.320 ( -4.094 5.072 2.102) 6.849 15.835 ( 4.411 -4.398 -0.525) 6.251 15.835 ( 4.411 -4.398 0.525) 6.251 15.920 ( -3.576 -4.859 -0.531) 6.056 15.920 ( -3.576 -4.859 0.531) 6.056 29.502 ( 0.709 6.741 -0.416) 6.791 29.502 ( 0.709 6.741 0.416) 6.791 29.615 ( -0.744 2.381 -0.156) 2.499 29.615 ( -0.744 2.381 0.156) 2.499 31.808 ( 0.210 3.841 -0.081) 3.847 31.808 ( 0.210 3.841 0.081) 3.847 32.024 ( -0.175 -6.236 -0.221) 6.242 32.024 ( -0.175 -6.236 0.221) 6.242 83.615 ( 1.227 2.302 -0.161) 2.614 83.615 ( 1.227 2.302 0.161) 2.614 83.959 ( -1.227 -13.858 -0.220) 13.914 83.959 ( -1.227 -13.858 0.220) 13.914 ======================= Grid point 445 (142/144) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.434 ( 0.000 0.000 0.000) 0.000 2.434 ( 0.000 0.000 0.000) 0.000 2.762 ( 0.000 0.000 0.000) 0.000 2.762 ( 0.000 0.000 0.000) 0.000 3.148 ( 0.000 0.000 0.000) 0.000 3.148 ( 0.000 0.000 0.000) 0.000 3.652 ( 0.000 -0.000 0.000) 0.000 3.652 ( 0.000 -0.000 0.000) 0.000 5.549 ( 0.000 -0.000 0.000) 0.000 5.549 ( 0.000 0.000 0.000) 0.000 5.587 ( 0.000 0.000 0.000) 0.000 5.587 ( 0.000 0.000 0.000) 0.000 7.213 ( 0.000 0.000 -0.000) 0.000 7.213 ( 0.000 0.000 -0.000) 0.000 7.666 ( 0.000 0.000 -0.000) 0.000 7.666 ( 0.000 0.000 0.000) 0.000 8.624 ( 0.000 0.000 0.000) 0.000 8.624 ( 0.000 0.000 0.000) 0.000 9.319 ( 0.000 0.000 -0.000) 0.000 9.319 ( 0.000 0.000 0.000) 0.000 10.022 ( 0.000 0.000 0.000) 0.000 10.022 ( 0.000 0.000 0.000) 0.000 10.174 ( 0.000 0.000 0.000) 0.000 10.174 ( 0.000 0.000 0.000) 0.000 12.383 ( 0.000 0.000 0.000) 0.000 12.383 ( 0.000 0.000 0.000) 0.000 12.787 ( 0.000 0.000 0.000) 0.000 12.787 ( 0.000 0.000 0.000) 0.000 13.218 ( 0.000 0.000 0.000) 0.000 13.218 ( 0.000 0.000 0.000) 0.000 13.488 ( 0.000 0.000 -0.000) 0.000 13.488 ( 0.000 0.000 0.000) 0.000 15.683 ( 0.000 0.000 0.000) 0.000 15.683 ( 0.000 0.000 0.000) 0.000 15.934 ( 0.000 0.000 0.000) 0.000 15.934 ( 0.000 0.000 0.000) 0.000 29.540 ( 0.000 0.000 0.000) 0.000 29.540 ( 0.000 0.000 0.000) 0.000 29.673 ( 0.000 -0.000 0.000) 0.000 29.673 ( 0.000 0.000 0.000) 0.000 31.854 ( 0.000 0.000 0.000) 0.000 31.854 ( 0.000 -0.000 0.000) 0.000 31.952 ( 0.000 0.000 0.000) 0.000 31.952 ( 0.000 0.000 0.000) 0.000 83.578 ( 0.000 0.000 0.000) 0.000 83.578 ( 0.000 0.000 0.000) 0.000 83.876 ( 0.000 0.000 0.000) 0.000 83.876 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 449 (143/144) ======================= q-point: ( 0.20 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.477 ( 4.385 0.000 0.000) 4.385 2.477 ( 4.385 0.000 0.000) 4.385 2.757 ( -1.218 0.000 0.000) 1.218 2.757 ( -1.218 0.000 0.000) 1.218 3.181 ( 3.922 0.000 0.000) 3.922 3.181 ( 3.922 0.000 0.000) 3.922 3.602 ( -5.155 -0.000 0.000) 5.155 3.602 ( -5.155 -0.000 0.000) 5.155 5.553 ( 0.395 -0.000 0.000) 0.395 5.553 ( 0.395 0.000 0.000) 0.395 5.584 ( -0.349 0.000 0.000) 0.349 5.584 ( -0.349 0.000 0.000) 0.349 7.248 ( 3.674 0.000 -0.000) 3.674 7.248 ( 3.674 0.000 0.000) 3.674 7.612 ( -5.430 0.000 -0.000) 5.430 7.612 ( -5.430 0.000 0.000) 5.430 8.686 ( 6.267 0.000 0.000) 6.267 8.686 ( 6.267 0.000 0.000) 6.267 9.232 ( -8.319 0.000 0.000) 8.319 9.232 ( -8.319 0.000 0.000) 8.319 10.079 ( 5.032 0.000 0.000) 5.032 10.079 ( 5.032 0.000 0.000) 5.032 10.188 ( 1.229 0.000 0.000) 1.229 10.188 ( 1.229 0.000 0.000) 1.229 12.409 ( 2.747 0.000 0.000) 2.747 12.409 ( 2.747 0.000 0.000) 2.747 12.735 ( -5.222 0.000 0.000) 5.222 12.735 ( -5.222 0.000 0.000) 5.222 13.238 ( 2.076 0.000 0.000) 2.076 13.238 ( 2.076 0.000 0.000) 2.076 13.453 ( -3.433 0.000 0.000) 3.433 13.453 ( -3.433 0.000 0.000) 3.433 15.716 ( 3.262 0.000 0.000) 3.262 15.716 ( 3.262 0.000 0.000) 3.262 15.917 ( -1.743 0.000 0.000) 1.743 15.917 ( -1.743 0.000 0.000) 1.743 29.553 ( 1.276 0.000 0.000) 1.276 29.553 ( 1.276 0.000 0.000) 1.276 29.660 ( -1.338 -0.000 0.000) 1.338 29.660 ( -1.338 0.000 0.000) 1.338 31.864 ( 0.999 -0.000 0.000) 0.999 31.864 ( 0.999 -0.000 0.000) 0.999 31.943 ( -0.941 0.000 0.000) 0.941 31.943 ( -0.941 0.000 0.000) 0.941 83.607 ( 2.932 0.000 0.000) 2.932 83.607 ( 2.932 0.000 0.000) 2.932 83.848 ( -2.926 0.000 0.000) 2.926 83.848 ( -2.926 0.000 0.000) 2.926 ======================= Grid point 453 (144/144) ======================= q-point: ( 0.40 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.584 ( 6.472 0.000 0.000) 6.472 2.584 ( 6.472 0.000 0.000) 6.472 2.698 ( -5.066 0.000 -0.000) 5.066 2.698 ( -5.066 0.000 0.000) 5.066 3.301 ( 8.428 0.000 0.000) 8.428 3.301 ( 8.428 0.000 0.000) 8.428 3.469 ( -8.651 -0.000 0.000) 8.651 3.469 ( -8.651 0.000 0.000) 8.651 5.563 ( 0.622 -0.000 0.000) 0.622 5.563 ( 0.622 -0.000 0.000) 0.622 5.575 ( -0.595 0.000 0.000) 0.595 5.575 ( -0.595 0.000 0.000) 0.595 7.347 ( 6.587 0.000 -0.000) 6.587 7.347 ( 6.587 0.000 0.000) 6.587 7.484 ( -7.590 0.000 -0.000) 7.590 7.484 ( -7.590 0.000 0.000) 7.590 8.843 ( 9.992 0.000 0.000) 9.992 8.843 ( 9.992 0.000 0.000) 9.992 9.044 ( -10.912 0.000 0.000) 10.912 9.044 ( -10.912 0.000 0.000) 10.912 10.168 ( 3.639 0.000 0.000) 3.639 10.168 ( 3.639 0.000 0.000) 3.639 10.203 ( -0.172 0.000 0.000) 0.172 10.203 ( -0.172 0.000 0.000) 0.172 12.488 ( 5.642 0.000 0.000) 5.642 12.488 ( 5.642 0.000 0.000) 5.642 12.612 ( -7.159 0.000 0.000) 7.159 12.612 ( -7.159 0.000 0.000) 7.159 13.293 ( 3.753 0.000 0.000) 3.753 13.293 ( 3.753 0.000 0.000) 3.753 13.374 ( -4.611 0.000 0.000) 4.611 13.374 ( -4.611 0.000 0.000) 4.611 15.791 ( 4.409 0.000 0.000) 4.409 15.791 ( 4.409 0.000 0.000) 4.409 15.868 ( -3.492 0.000 0.000) 3.492 15.868 ( -3.492 0.000 0.000) 3.492 29.585 ( 2.094 0.000 -0.000) 2.094 29.585 ( 2.094 0.000 0.000) 2.094 29.626 ( -2.132 -0.000 0.000) 2.132 29.626 ( -2.132 -0.000 0.000) 2.132 31.889 ( 1.585 -0.000 0.000) 1.585 31.889 ( 1.585 -0.000 0.000) 1.585 31.919 ( -1.549 0.000 0.000) 1.549 31.919 ( -1.549 0.000 0.000) 1.549 83.681 ( 4.741 -0.000 0.000) 4.741 83.681 ( 4.741 0.000 0.000) 4.741 83.773 ( -4.737 -0.000 0.000) 4.737 83.773 ( -4.737 0.000 0.000) 4.737 =================== 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 3/33600 10.0 2297.728 3512.292 2541.011 0.000 0.000 -0.000 3/33600 20.0 447.871 931.370 518.390 0.000 0.000 -0.000 3/33600 30.0 201.107 483.165 219.575 0.000 0.000 0.000 3/33600 40.0 122.656 317.658 127.860 0.000 0.000 0.000 3/33600 50.0 85.350 230.259 86.577 0.000 0.000 0.000 3/33600 60.0 63.581 174.888 63.508 0.000 0.000 0.000 3/33600 70.0 49.452 136.926 48.941 0.000 0.000 0.000 3/33600 80.0 39.716 109.926 39.061 0.000 0.000 0.000 3/33600 90.0 32.736 90.259 32.043 0.000 0.000 0.000 3/33600 100.0 27.581 75.637 26.888 0.000 0.000 0.000 3/33600 110.0 23.674 64.548 23.001 0.000 0.000 0.000 3/33600 120.0 20.648 55.976 20.001 0.000 0.000 0.000 3/33600 130.0 18.256 49.229 17.639 0.000 0.000 0.000 3/33600 140.0 16.331 43.825 15.747 0.000 0.000 0.000 3/33600 150.0 14.758 39.429 14.205 0.000 0.000 0.000 3/33600 160.0 13.452 35.800 12.930 0.000 0.000 0.000 3/33600 170.0 12.354 32.765 11.863 0.000 0.000 0.000 3/33600 180.0 11.420 30.197 10.957 0.000 0.000 0.000 3/33600 190.0 10.617 27.999 10.181 0.000 0.000 0.000 3/33600 200.0 9.920 26.100 9.509 0.000 0.000 0.000 3/33600 210.0 9.310 24.444 8.921 0.000 0.000 0.000 3/33600 220.0 8.771 22.989 8.404 0.000 0.000 0.000 3/33600 230.0 8.293 21.701 7.945 0.000 0.000 0.000 3/33600 240.0 7.865 20.553 7.536 0.000 0.000 0.000 3/33600 250.0 7.480 19.524 7.167 0.000 0.000 0.000 3/33600 260.0 7.132 18.596 6.835 0.000 0.000 0.000 3/33600 270.0 6.815 17.756 6.533 0.000 0.000 0.000 3/33600 280.0 6.527 16.991 6.257 0.000 0.000 0.000 3/33600 290.0 6.262 16.291 6.005 0.000 0.000 0.000 3/33600 300.0 6.019 15.650 5.772 0.000 0.000 0.000 3/33600 310.0 5.794 15.058 5.558 0.000 0.000 0.000 3/33600 320.0 5.586 14.512 5.360 0.000 0.000 0.000 3/33600 330.0 5.393 14.006 5.176 0.000 0.000 0.000 3/33600 340.0 5.213 13.535 5.004 0.000 0.000 0.000 3/33600 350.0 5.046 13.096 4.844 0.000 0.000 0.000 3/33600 360.0 4.888 12.686 4.694 0.000 0.000 0.000 3/33600 370.0 4.741 12.301 4.554 0.000 0.000 0.000 3/33600 380.0 4.602 11.941 4.421 0.000 0.000 0.000 3/33600 390.0 4.472 11.601 4.297 0.000 0.000 0.000 3/33600 400.0 4.349 11.282 4.179 0.000 0.000 0.000 3/33600 410.0 4.233 10.979 4.068 0.000 0.000 0.000 3/33600 420.0 4.123 10.694 3.963 0.000 0.000 0.000 3/33600 430.0 4.018 10.423 3.863 0.000 0.000 0.000 3/33600 440.0 3.919 10.166 3.768 0.000 0.000 0.000 3/33600 450.0 3.825 9.922 3.678 0.000 0.000 0.000 3/33600 460.0 3.735 9.690 3.592 0.000 0.000 0.000 3/33600 470.0 3.650 9.469 3.510 0.000 0.000 0.000 3/33600 480.0 3.568 9.257 3.432 0.000 0.000 0.000 3/33600 490.0 3.490 9.056 3.357 0.000 0.000 0.000 3/33600 500.0 3.415 8.863 3.286 0.000 0.000 0.000 3/33600 510.0 3.344 8.678 3.217 0.000 0.000 0.000 3/33600 520.0 3.275 8.501 3.152 0.000 0.000 0.000 3/33600 530.0 3.210 8.332 3.089 0.000 0.000 0.000 3/33600 540.0 3.147 8.169 3.028 0.000 0.000 0.000 3/33600 550.0 3.086 8.012 2.970 0.000 0.000 0.000 3/33600 560.0 3.028 7.862 2.914 0.000 0.000 0.000 3/33600 570.0 2.971 7.717 2.860 0.000 0.000 0.000 3/33600 580.0 2.917 7.578 2.808 0.000 0.000 0.000 3/33600 590.0 2.865 7.443 2.758 0.000 0.000 0.000 3/33600 600.0 2.815 7.313 2.710 0.000 0.000 0.000 3/33600 610.0 2.766 7.188 2.663 0.000 0.000 0.000 3/33600 620.0 2.720 7.067 2.618 0.000 0.000 0.000 3/33600 630.0 2.674 6.950 2.574 0.000 0.000 0.000 3/33600 640.0 2.630 6.837 2.532 0.000 0.000 0.000 3/33600 650.0 2.588 6.728 2.491 0.000 0.000 0.000 3/33600 660.0 2.547 6.622 2.452 0.000 0.000 0.000 3/33600 670.0 2.507 6.519 2.413 0.000 0.000 0.000 3/33600 680.0 2.469 6.420 2.376 0.000 0.000 0.000 3/33600 690.0 2.431 6.324 2.340 0.000 0.000 0.000 3/33600 700.0 2.395 6.230 2.305 0.000 0.000 0.000 3/33600 710.0 2.360 6.139 2.271 0.000 0.000 0.000 3/33600 720.0 2.326 6.051 2.238 0.000 0.000 0.000 3/33600 730.0 2.292 5.965 2.206 0.000 0.000 0.000 3/33600 740.0 2.260 5.882 2.175 0.000 0.000 0.000 3/33600 750.0 2.229 5.801 2.145 0.000 0.000 0.000 3/33600 760.0 2.198 5.722 2.115 0.000 0.000 0.000 3/33600 770.0 2.169 5.646 2.086 0.000 0.000 0.000 3/33600 780.0 2.140 5.571 2.059 0.000 0.000 0.000 3/33600 790.0 2.112 5.498 2.031 0.000 0.000 0.000 3/33600 800.0 2.084 5.428 2.005 0.000 0.000 0.000 3/33600 810.0 2.057 5.359 1.979 0.000 0.000 0.000 3/33600 820.0 2.031 5.291 1.954 0.000 0.000 0.000 3/33600 830.0 2.006 5.226 1.929 0.000 0.000 0.000 3/33600 840.0 1.981 5.162 1.905 0.000 0.000 0.000 3/33600 850.0 1.957 5.099 1.882 0.000 0.000 0.000 3/33600 860.0 1.933 5.038 1.859 0.000 0.000 0.000 3/33600 870.0 1.910 4.979 1.837 0.000 0.000 0.000 3/33600 880.0 1.888 4.921 1.815 0.000 0.000 0.000 3/33600 890.0 1.866 4.864 1.794 0.000 0.000 0.000 3/33600 900.0 1.845 4.809 1.773 0.000 0.000 0.000 3/33600 910.0 1.824 4.754 1.753 0.000 0.000 0.000 3/33600 920.0 1.803 4.701 1.733 0.000 0.000 0.000 3/33600 930.0 1.783 4.650 1.714 0.000 0.000 0.000 3/33600 940.0 1.763 4.599 1.695 0.000 0.000 0.000 3/33600 950.0 1.744 4.549 1.676 0.000 0.000 0.000 3/33600 960.0 1.725 4.501 1.658 0.000 0.000 0.000 3/33600 970.0 1.707 4.453 1.640 0.000 0.000 0.000 3/33600 980.0 1.689 4.407 1.623 0.000 0.000 0.000 3/33600 990.0 1.671 4.361 1.606 0.000 0.000 0.000 3/33600 1000.0 1.654 4.316 1.589 0.000 0.000 0.000 3/33600 Thermal conductivity related properties were written into "kappa-m51410.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:24:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|