----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 08:46:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnna (52) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.655478400000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.752912690000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.968319670000000 Atomic positions (fractional): *1 O 0.08149918055539 0.59806995285973 0.08632091873227 15.999 2 O 0.41850081944461 0.40193004714027 0.08632091873227 15.999 3 O 0.08149918055539 0.90193004714027 0.41367908126773 15.999 4 O 0.41850081944461 0.09806995285973 0.41367908126773 15.999 5 O 0.91850081944461 0.40193004714027 0.91367908126773 15.999 6 O 0.58149918055539 0.59806995285973 0.91367908126773 15.999 7 O 0.91850081944461 0.09806995285973 0.58632091873227 15.999 8 O 0.58149918055539 0.90193004714027 0.58632091873227 15.999 *9 O 0.14621406179868 0.30599213600426 0.50757796171317 15.999 10 O 0.35378593820132 0.69400786399574 0.50757796171317 15.999 11 O 0.14621406179868 0.19400786399574 0.99242203828683 15.999 12 O 0.35378593820132 0.80599213600426 0.99242203828683 15.999 13 O 0.85378593820132 0.69400786399574 0.49242203828683 15.999 14 O 0.64621406179868 0.30599213600426 0.49242203828683 15.999 15 O 0.85378593820132 0.80599213600426 0.00757796171317 15.999 16 O 0.64621406179868 0.19400786399574 0.00757796171317 15.999 *17 Ta 0.86831967850631 0.25000000000000 0.75000000000000 180.948 18 Ta 0.63168032149369 0.75000000000000 0.75000000000000 180.948 19 Ta 0.13168032149369 0.75000000000000 0.25000000000000 180.948 20 Ta 0.36831967850631 0.25000000000000 0.25000000000000 180.948 *21 Bi 0.75000000000000 0.50000000000000 0.22721793348927 208.980 22 Bi 0.75000000000000 0.00000000000000 0.27278206651073 208.980 23 Bi 0.25000000000000 0.50000000000000 0.77278206651073 208.980 24 Bi 0.25000000000000 0.00000000000000 0.72721793348927 208.980 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.655478400000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.752912690000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.968319670000000 Atomic positions (fractional): *1 O 0.08149918055539 0.59806995285973 0.08632091873227 15.999 > 1 2 O 0.41850081944461 0.40193004714027 0.08632091873227 15.999 > 2 3 O 0.08149918055539 0.90193004714027 0.41367908126773 15.999 > 3 4 O 0.41850081944461 0.09806995285973 0.41367908126773 15.999 > 4 5 O 0.91850081944461 0.40193004714027 0.91367908126773 15.999 > 5 6 O 0.58149918055539 0.59806995285973 0.91367908126773 15.999 > 6 7 O 0.91850081944461 0.09806995285973 0.58632091873227 15.999 > 7 8 O 0.58149918055539 0.90193004714027 0.58632091873227 15.999 > 8 *9 O 0.14621406179868 0.30599213600426 0.50757796171317 15.999 > 9 10 O 0.35378593820132 0.69400786399574 0.50757796171317 15.999 > 10 11 O 0.14621406179868 0.19400786399574 0.99242203828683 15.999 > 11 12 O 0.35378593820132 0.80599213600426 0.99242203828683 15.999 > 12 13 O 0.85378593820132 0.69400786399574 0.49242203828683 15.999 > 13 14 O 0.64621406179868 0.30599213600426 0.49242203828683 15.999 > 14 15 O 0.85378593820132 0.80599213600426 0.00757796171317 15.999 > 15 16 O 0.64621406179868 0.19400786399574 0.00757796171317 15.999 > 16 *17 Ta 0.86831967850631 0.25000000000000 0.75000000000000 180.948 > 17 18 Ta 0.63168032149369 0.75000000000000 0.75000000000000 180.948 > 18 19 Ta 0.13168032149369 0.75000000000000 0.25000000000000 180.948 > 19 20 Ta 0.36831967850631 0.25000000000000 0.25000000000000 180.948 > 20 *21 Bi 0.75000000000000 0.50000000000000 0.22721793348927 208.980 > 21 22 Bi 0.75000000000000 0.00000000000000 0.27278206651073 208.980 > 22 23 Bi 0.25000000000000 0.50000000000000 0.77278206651073 208.980 > 23 24 Bi 0.25000000000000 0.00000000000000 0.72721793348927 208.980 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.310956800000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.752912690000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.904959009999999 Atomic positions (fractional): *1 O 0.04074959027770 0.59806995285973 0.02877363957742 15.999 > 1 2 O 0.54074959027770 0.59806995285973 0.02877363957742 15.999 > 1 3 O 0.04074959027770 0.59806995285973 0.36210697291076 15.999 > 1 4 O 0.54074959027770 0.59806995285973 0.36210697291076 15.999 > 1 5 O 0.04074959027770 0.59806995285973 0.69544030624409 15.999 > 1 6 O 0.54074959027770 0.59806995285973 0.69544030624409 15.999 > 1 7 O 0.20925040972230 0.40193004714027 0.02877363957742 15.999 > 2 8 O 0.70925040972230 0.40193004714027 0.02877363957742 15.999 > 2 9 O 0.20925040972230 0.40193004714027 0.36210697291076 15.999 > 2 10 O 0.70925040972230 0.40193004714027 0.36210697291076 15.999 > 2 11 O 0.20925040972230 0.40193004714027 0.69544030624409 15.999 > 2 12 O 0.70925040972230 0.40193004714027 0.69544030624409 15.999 > 2 13 O 0.04074959027770 0.90193004714027 0.13789302708924 15.999 > 3 14 O 0.54074959027770 0.90193004714027 0.13789302708924 15.999 > 3 15 O 0.04074959027770 0.90193004714027 0.47122636042258 15.999 > 3 16 O 0.54074959027770 0.90193004714027 0.47122636042258 15.999 > 3 17 O 0.04074959027770 0.90193004714027 0.80455969375591 15.999 > 3 18 O 0.54074959027770 0.90193004714027 0.80455969375591 15.999 > 3 19 O 0.20925040972230 0.09806995285973 0.13789302708924 15.999 > 4 20 O 0.70925040972230 0.09806995285973 0.13789302708924 15.999 > 4 21 O 0.20925040972230 0.09806995285973 0.47122636042258 15.999 > 4 22 O 0.70925040972230 0.09806995285973 0.47122636042258 15.999 > 4 23 O 0.20925040972230 0.09806995285973 0.80455969375591 15.999 > 4 24 O 0.70925040972230 0.09806995285973 0.80455969375591 15.999 > 4 25 O 0.45925040972230 0.40193004714027 0.30455969375591 15.999 > 5 26 O 0.95925040972230 0.40193004714027 0.30455969375591 15.999 > 5 27 O 0.45925040972230 0.40193004714027 0.63789302708924 15.999 > 5 28 O 0.95925040972230 0.40193004714027 0.63789302708924 15.999 > 5 29 O 0.45925040972230 0.40193004714027 0.97122636042258 15.999 > 5 30 O 0.95925040972230 0.40193004714027 0.97122636042258 15.999 > 5 31 O 0.29074959027770 0.59806995285973 0.30455969375591 15.999 > 6 32 O 0.79074959027770 0.59806995285973 0.30455969375591 15.999 > 6 33 O 0.29074959027770 0.59806995285973 0.63789302708924 15.999 > 6 34 O 0.79074959027770 0.59806995285973 0.63789302708924 15.999 > 6 35 O 0.29074959027770 0.59806995285973 0.97122636042258 15.999 > 6 36 O 0.79074959027770 0.59806995285973 0.97122636042258 15.999 > 6 37 O 0.45925040972230 0.09806995285973 0.19544030624409 15.999 > 7 38 O 0.95925040972230 0.09806995285973 0.19544030624409 15.999 > 7 39 O 0.45925040972230 0.09806995285973 0.52877363957742 15.999 > 7 40 O 0.95925040972230 0.09806995285973 0.52877363957742 15.999 > 7 41 O 0.45925040972230 0.09806995285973 0.86210697291076 15.999 > 7 42 O 0.95925040972230 0.09806995285973 0.86210697291076 15.999 > 7 43 O 0.29074959027770 0.90193004714027 0.19544030624409 15.999 > 8 44 O 0.79074959027770 0.90193004714027 0.19544030624409 15.999 > 8 45 O 0.29074959027770 0.90193004714027 0.52877363957742 15.999 > 8 46 O 0.79074959027770 0.90193004714027 0.52877363957742 15.999 > 8 47 O 0.29074959027770 0.90193004714027 0.86210697291076 15.999 > 8 48 O 0.79074959027770 0.90193004714027 0.86210697291076 15.999 > 8 *49 O 0.07310703089934 0.30599213600426 0.16919265390439 15.999 > 9 50 O 0.57310703089934 0.30599213600426 0.16919265390439 15.999 > 9 51 O 0.07310703089934 0.30599213600426 0.50252598723772 15.999 > 9 52 O 0.57310703089934 0.30599213600426 0.50252598723772 15.999 > 9 53 O 0.07310703089934 0.30599213600426 0.83585932057106 15.999 > 9 54 O 0.57310703089934 0.30599213600426 0.83585932057106 15.999 > 9 55 O 0.17689296910066 0.69400786399574 0.16919265390439 15.999 > 10 56 O 0.67689296910066 0.69400786399574 0.16919265390439 15.999 > 10 57 O 0.17689296910066 0.69400786399574 0.50252598723772 15.999 > 10 58 O 0.67689296910066 0.69400786399574 0.50252598723772 15.999 > 10 59 O 0.17689296910066 0.69400786399574 0.83585932057106 15.999 > 10 60 O 0.67689296910066 0.69400786399574 0.83585932057106 15.999 > 10 61 O 0.07310703089934 0.19400786399574 0.33080734609561 15.999 > 11 62 O 0.57310703089934 0.19400786399574 0.33080734609561 15.999 > 11 63 O 0.07310703089934 0.19400786399574 0.66414067942894 15.999 > 11 64 O 0.57310703089934 0.19400786399574 0.66414067942894 15.999 > 11 65 O 0.07310703089934 0.19400786399574 0.99747401276228 15.999 > 11 66 O 0.57310703089934 0.19400786399574 0.99747401276228 15.999 > 11 67 O 0.17689296910066 0.80599213600426 0.33080734609561 15.999 > 12 68 O 0.67689296910066 0.80599213600426 0.33080734609561 15.999 > 12 69 O 0.17689296910066 0.80599213600426 0.66414067942894 15.999 > 12 70 O 0.67689296910066 0.80599213600426 0.66414067942894 15.999 > 12 71 O 0.17689296910066 0.80599213600426 0.99747401276228 15.999 > 12 72 O 0.67689296910066 0.80599213600426 0.99747401276228 15.999 > 12 73 O 0.42689296910066 0.69400786399574 0.16414067942894 15.999 > 13 74 O 0.92689296910066 0.69400786399574 0.16414067942894 15.999 > 13 75 O 0.42689296910066 0.69400786399574 0.49747401276228 15.999 > 13 76 O 0.92689296910066 0.69400786399574 0.49747401276228 15.999 > 13 77 O 0.42689296910066 0.69400786399574 0.83080734609561 15.999 > 13 78 O 0.92689296910066 0.69400786399574 0.83080734609561 15.999 > 13 79 O 0.32310703089934 0.30599213600426 0.16414067942894 15.999 > 14 80 O 0.82310703089934 0.30599213600426 0.16414067942894 15.999 > 14 81 O 0.32310703089934 0.30599213600426 0.49747401276228 15.999 > 14 82 O 0.82310703089934 0.30599213600426 0.49747401276228 15.999 > 14 83 O 0.32310703089934 0.30599213600426 0.83080734609561 15.999 > 14 84 O 0.82310703089934 0.30599213600426 0.83080734609561 15.999 > 14 85 O 0.42689296910066 0.80599213600426 0.00252598723772 15.999 > 15 86 O 0.92689296910066 0.80599213600426 0.00252598723772 15.999 > 15 87 O 0.42689296910066 0.80599213600426 0.33585932057106 15.999 > 15 88 O 0.92689296910066 0.80599213600426 0.33585932057106 15.999 > 15 89 O 0.42689296910066 0.80599213600426 0.66919265390439 15.999 > 15 90 O 0.92689296910066 0.80599213600426 0.66919265390439 15.999 > 15 91 O 0.32310703089934 0.19400786399574 0.00252598723772 15.999 > 16 92 O 0.82310703089934 0.19400786399574 0.00252598723772 15.999 > 16 93 O 0.32310703089934 0.19400786399574 0.33585932057106 15.999 > 16 94 O 0.82310703089934 0.19400786399574 0.33585932057106 15.999 > 16 95 O 0.32310703089934 0.19400786399574 0.66919265390439 15.999 > 16 96 O 0.82310703089934 0.19400786399574 0.66919265390439 15.999 > 16 *97 Ta 0.43415983925315 0.25000000000000 0.25000000000000 180.948 > 17 98 Ta 0.93415983925315 0.25000000000000 0.25000000000000 180.948 > 17 99 Ta 0.43415983925315 0.25000000000000 0.58333333333333 180.948 > 17 100 Ta 0.93415983925315 0.25000000000000 0.58333333333333 180.948 > 17 101 Ta 0.43415983925315 0.25000000000000 0.91666666666667 180.948 > 17 102 Ta 0.93415983925315 0.25000000000000 0.91666666666667 180.948 > 17 103 Ta 0.31584016074685 0.75000000000000 0.25000000000000 180.948 > 18 104 Ta 0.81584016074685 0.75000000000000 0.25000000000000 180.948 > 18 105 Ta 0.31584016074685 0.75000000000000 0.58333333333333 180.948 > 18 106 Ta 0.81584016074685 0.75000000000000 0.58333333333333 180.948 > 18 107 Ta 0.31584016074685 0.75000000000000 0.91666666666667 180.948 > 18 108 Ta 0.81584016074685 0.75000000000000 0.91666666666667 180.948 > 18 109 Ta 0.06584016074685 0.75000000000000 0.08333333333333 180.948 > 19 110 Ta 0.56584016074685 0.75000000000000 0.08333333333333 180.948 > 19 111 Ta 0.06584016074685 0.75000000000000 0.41666666666667 180.948 > 19 112 Ta 0.56584016074685 0.75000000000000 0.41666666666667 180.948 > 19 113 Ta 0.06584016074685 0.75000000000000 0.75000000000000 180.948 > 19 114 Ta 0.56584016074685 0.75000000000000 0.75000000000000 180.948 > 19 115 Ta 0.18415983925315 0.25000000000000 0.08333333333333 180.948 > 20 116 Ta 0.68415983925315 0.25000000000000 0.08333333333333 180.948 > 20 117 Ta 0.18415983925315 0.25000000000000 0.41666666666667 180.948 > 20 118 Ta 0.68415983925315 0.25000000000000 0.41666666666667 180.948 > 20 119 Ta 0.18415983925315 0.25000000000000 0.75000000000000 180.948 > 20 120 Ta 0.68415983925315 0.25000000000000 0.75000000000000 180.948 > 20 *121 Bi 0.37500000000000 0.50000000000000 0.07573931116309 208.980 > 21 122 Bi 0.87500000000000 0.50000000000000 0.07573931116309 208.980 > 21 123 Bi 0.37500000000000 0.50000000000000 0.40907264449642 208.980 > 21 124 Bi 0.87500000000000 0.50000000000000 0.40907264449642 208.980 > 21 125 Bi 0.37500000000000 0.50000000000000 0.74240597782976 208.980 > 21 126 Bi 0.87500000000000 0.50000000000000 0.74240597782976 208.980 > 21 127 Bi 0.37500000000000 0.00000000000000 0.09092735550358 208.980 > 22 128 Bi 0.87500000000000 0.00000000000000 0.09092735550358 208.980 > 22 129 Bi 0.37500000000000 0.00000000000000 0.42426068883691 208.980 > 22 130 Bi 0.87500000000000 0.00000000000000 0.42426068883691 208.980 > 22 131 Bi 0.37500000000000 0.00000000000000 0.75759402217024 208.980 > 22 132 Bi 0.87500000000000 0.00000000000000 0.75759402217024 208.980 > 22 133 Bi 0.12500000000000 0.50000000000000 0.25759402217024 208.980 > 23 134 Bi 0.62500000000000 0.50000000000000 0.25759402217024 208.980 > 23 135 Bi 0.12500000000000 0.50000000000000 0.59092735550358 208.980 > 23 136 Bi 0.62500000000000 0.50000000000000 0.59092735550358 208.980 > 23 137 Bi 0.12500000000000 0.50000000000000 0.92426068883691 208.980 > 23 138 Bi 0.62500000000000 0.50000000000000 0.92426068883691 208.980 > 23 139 Bi 0.12500000000000 0.00000000000000 0.24240597782976 208.980 > 24 140 Bi 0.62500000000000 0.00000000000000 0.24240597782976 208.980 > 24 141 Bi 0.12500000000000 0.00000000000000 0.57573931116309 208.980 > 24 142 Bi 0.62500000000000 0.00000000000000 0.57573931116309 208.980 > 24 143 Bi 0.12500000000000 0.00000000000000 0.90907264449642 208.980 > 24 144 Bi 0.62500000000000 0.00000000000000 0.90907264449642 208.980 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.9931080 0.0000000 0.0000000 0.0000000 6.3266193 0.0000000 0.0000000 0.0000000 5.8213067 -------------------------- Born effective charges -------------------------- 1 O -2.4288488 -0.2893805 0.9320491 -0.5986610 -4.0564390 -1.4129025 0.3842370 -1.3357912 -2.3291399 2 O -2.4288488 -0.2893805 -0.9320491 -0.5986610 -4.0564390 1.4129025 -0.3842370 1.3357912 -2.3291399 3 O -2.4288488 0.2893805 -0.9320491 0.5986610 -4.0564390 -1.4129025 -0.3842370 -1.3357912 -2.3291399 4 O -2.4288488 0.2893805 0.9320491 0.5986610 -4.0564390 1.4129025 0.3842370 1.3357912 -2.3291399 5 O -2.4288488 -0.2893805 0.9320491 -0.5986610 -4.0564390 -1.4129025 0.3842370 -1.3357912 -2.3291399 6 O -2.4288488 -0.2893805 -0.9320491 -0.5986610 -4.0564390 1.4129025 -0.3842370 1.3357912 -2.3291399 7 O -2.4288488 0.2893805 -0.9320491 0.5986610 -4.0564390 -1.4129025 -0.3842370 -1.3357912 -2.3291399 8 O -2.4288488 0.2893805 0.9320491 0.5986610 -4.0564390 1.4129025 0.3842370 1.3357912 -2.3291399 9 O -3.5507096 0.2961751 2.0198341 0.0741874 -2.3923244 -0.6558143 2.0472950 -0.7688446 -3.5417356 10 O -3.5507096 0.2961751 -2.0198341 0.0741874 -2.3923244 0.6558143 -2.0472950 0.7688446 -3.5417356 11 O -3.5507096 -0.2961751 -2.0198341 -0.0741874 -2.3923244 -0.6558143 -2.0472950 -0.7688446 -3.5417356 12 O -3.5507096 -0.2961751 2.0198341 -0.0741874 -2.3923244 0.6558143 2.0472950 0.7688446 -3.5417356 13 O -3.5507096 0.2961751 2.0198341 0.0741874 -2.3923244 -0.6558143 2.0472950 -0.7688446 -3.5417356 14 O -3.5507096 0.2961751 -2.0198341 0.0741874 -2.3923244 0.6558143 -2.0472950 0.7688446 -3.5417356 15 O -3.5507096 -0.2961751 -2.0198341 -0.0741874 -2.3923244 -0.6558143 -2.0472950 -0.7688446 -3.5417356 16 O -3.5507096 -0.2961751 2.0198341 -0.0741874 -2.3923244 0.6558143 2.0472950 0.7688446 -3.5417356 17 Ta 7.6085357 0.0000000 0.0000000 0.0000000 7.6916481 0.3451609 0.0000000 -0.5139963 7.7784476 18 Ta 7.6085357 0.0000000 0.0000000 0.0000000 7.6916481 -0.3451609 0.0000000 0.5139963 7.7784476 19 Ta 7.6085357 0.0000000 0.0000000 0.0000000 7.6916481 0.3451609 0.0000000 -0.5139963 7.7784476 20 Ta 7.6085357 0.0000000 0.0000000 0.0000000 7.6916481 -0.3451609 0.0000000 0.5139963 7.7784476 21 Bi 4.3505809 0.1332371 0.0000000 0.6943771 5.2058788 0.0000000 0.0000000 0.0000000 3.9633034 22 Bi 4.3505809 -0.1332371 0.0000000 -0.6943771 5.2058788 0.0000000 0.0000000 0.0000000 3.9633034 23 Bi 4.3505809 0.1332371 0.0000000 0.6943771 5.2058788 0.0000000 0.0000000 0.0000000 3.9633034 24 Bi 4.3505809 -0.1332371 0.0000000 -0.6943771 5.2058788 0.0000000 0.0000000 0.0000000 3.9633034 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 16056/16056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2057 Number of blocks in projector: 2057 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 430 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 422 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 257 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 257 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 257 Use standard eigh solver. Tree of FC basis block matrices: - (2057, 2029), data: False |-- (257, 253), data: True |-- (257, 253), data: True |-- (257, 253), data: True |-- (422, 418), data: True |-- (430, 424), data: True |-- (434, 428), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 400 - Time: 1.054 Solver_block: 200 / 400 - Time: 0.953 Solver_block: 300 / 400 - Time: 0.885 Solver_block: 400 / 400 - Time: 1.070 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.232 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 16056/16056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2057 Number of blocks in projector: 2057 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 430 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 422 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 257 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 257 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 257 Use standard eigh solver. Tree of FC basis block matrices: - (2057, 2029), data: False |-- (257, 253), data: True |-- (257, 253), data: True |-- (257, 253), data: True |-- (422, 418), data: True |-- (430, 424), data: True |-- (434, 428), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 08:47:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:47:25]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnna (52) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.655478400000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.752912690000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.968319670000000 Atomic positions (fractional): 1 O 0.08149918055539 0.59806995285973 0.08632091873227 15.999 2 O 0.41850081944461 0.40193004714027 0.08632091873227 15.999 3 O 0.08149918055539 0.90193004714027 0.41367908126773 15.999 4 O 0.41850081944461 0.09806995285973 0.41367908126773 15.999 5 O 0.91850081944461 0.40193004714027 0.91367908126773 15.999 6 O 0.58149918055539 0.59806995285973 0.91367908126773 15.999 7 O 0.91850081944461 0.09806995285973 0.58632091873227 15.999 8 O 0.58149918055539 0.90193004714027 0.58632091873227 15.999 9 O 0.14621406179868 0.30599213600426 0.50757796171317 15.999 10 O 0.35378593820132 0.69400786399574 0.50757796171317 15.999 11 O 0.14621406179868 0.19400786399574 0.99242203828683 15.999 12 O 0.35378593820132 0.80599213600426 0.99242203828683 15.999 13 O 0.85378593820132 0.69400786399574 0.49242203828683 15.999 14 O 0.64621406179868 0.30599213600426 0.49242203828683 15.999 15 O 0.85378593820132 0.80599213600426 0.00757796171317 15.999 16 O 0.64621406179868 0.19400786399574 0.00757796171317 15.999 17 Ta 0.86831967850631 0.25000000000000 0.75000000000000 180.948 18 Ta 0.63168032149369 0.75000000000000 0.75000000000000 180.948 19 Ta 0.13168032149369 0.75000000000000 0.25000000000000 180.948 20 Ta 0.36831967850631 0.25000000000000 0.25000000000000 180.948 21 Bi 0.75000000000000 0.50000000000000 0.22721793348927 208.980 22 Bi 0.75000000000000 0.00000000000000 0.27278206651073 208.980 23 Bi 0.25000000000000 0.50000000000000 0.77278206651073 208.980 24 Bi 0.25000000000000 0.00000000000000 0.72721793348927 208.980 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.310956800000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.752912690000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.904959009999999 Atomic positions (fractional): 1 O 0.04074959027770 0.59806995285973 0.02877363957742 15.999 > 1 2 O 0.54074959027770 0.59806995285973 0.02877363957742 15.999 > 1 3 O 0.04074959027770 0.59806995285973 0.36210697291076 15.999 > 1 4 O 0.54074959027770 0.59806995285973 0.36210697291076 15.999 > 1 5 O 0.04074959027770 0.59806995285973 0.69544030624409 15.999 > 1 6 O 0.54074959027770 0.59806995285973 0.69544030624409 15.999 > 1 7 O 0.20925040972230 0.40193004714027 0.02877363957742 15.999 > 7 8 O 0.70925040972230 0.40193004714027 0.02877363957742 15.999 > 7 9 O 0.20925040972230 0.40193004714027 0.36210697291076 15.999 > 7 10 O 0.70925040972230 0.40193004714027 0.36210697291076 15.999 > 7 11 O 0.20925040972230 0.40193004714027 0.69544030624409 15.999 > 7 12 O 0.70925040972230 0.40193004714027 0.69544030624409 15.999 > 7 13 O 0.04074959027770 0.90193004714027 0.13789302708924 15.999 > 13 14 O 0.54074959027770 0.90193004714027 0.13789302708924 15.999 > 13 15 O 0.04074959027770 0.90193004714027 0.47122636042258 15.999 > 13 16 O 0.54074959027770 0.90193004714027 0.47122636042258 15.999 > 13 17 O 0.04074959027770 0.90193004714027 0.80455969375591 15.999 > 13 18 O 0.54074959027770 0.90193004714027 0.80455969375591 15.999 > 13 19 O 0.20925040972230 0.09806995285973 0.13789302708924 15.999 > 19 20 O 0.70925040972230 0.09806995285973 0.13789302708924 15.999 > 19 21 O 0.20925040972230 0.09806995285973 0.47122636042258 15.999 > 19 22 O 0.70925040972230 0.09806995285973 0.47122636042258 15.999 > 19 23 O 0.20925040972230 0.09806995285973 0.80455969375591 15.999 > 19 24 O 0.70925040972230 0.09806995285973 0.80455969375591 15.999 > 19 25 O 0.45925040972230 0.40193004714027 0.30455969375591 15.999 > 25 26 O 0.95925040972230 0.40193004714027 0.30455969375591 15.999 > 25 27 O 0.45925040972230 0.40193004714027 0.63789302708924 15.999 > 25 28 O 0.95925040972230 0.40193004714027 0.63789302708924 15.999 > 25 29 O 0.45925040972230 0.40193004714027 0.97122636042258 15.999 > 25 30 O 0.95925040972230 0.40193004714027 0.97122636042258 15.999 > 25 31 O 0.29074959027770 0.59806995285973 0.30455969375591 15.999 > 31 32 O 0.79074959027770 0.59806995285973 0.30455969375591 15.999 > 31 33 O 0.29074959027770 0.59806995285973 0.63789302708924 15.999 > 31 34 O 0.79074959027770 0.59806995285973 0.63789302708924 15.999 > 31 35 O 0.29074959027770 0.59806995285973 0.97122636042258 15.999 > 31 36 O 0.79074959027770 0.59806995285973 0.97122636042258 15.999 > 31 37 O 0.45925040972230 0.09806995285973 0.19544030624409 15.999 > 37 38 O 0.95925040972230 0.09806995285973 0.19544030624409 15.999 > 37 39 O 0.45925040972230 0.09806995285973 0.52877363957742 15.999 > 37 40 O 0.95925040972230 0.09806995285973 0.52877363957742 15.999 > 37 41 O 0.45925040972230 0.09806995285973 0.86210697291076 15.999 > 37 42 O 0.95925040972230 0.09806995285973 0.86210697291076 15.999 > 37 43 O 0.29074959027770 0.90193004714027 0.19544030624409 15.999 > 43 44 O 0.79074959027770 0.90193004714027 0.19544030624409 15.999 > 43 45 O 0.29074959027770 0.90193004714027 0.52877363957742 15.999 > 43 46 O 0.79074959027770 0.90193004714027 0.52877363957742 15.999 > 43 47 O 0.29074959027770 0.90193004714027 0.86210697291076 15.999 > 43 48 O 0.79074959027770 0.90193004714027 0.86210697291076 15.999 > 43 49 O 0.07310703089934 0.30599213600426 0.16919265390439 15.999 > 49 50 O 0.57310703089934 0.30599213600426 0.16919265390439 15.999 > 49 51 O 0.07310703089934 0.30599213600426 0.50252598723772 15.999 > 49 52 O 0.57310703089934 0.30599213600426 0.50252598723772 15.999 > 49 53 O 0.07310703089934 0.30599213600426 0.83585932057106 15.999 > 49 54 O 0.57310703089934 0.30599213600426 0.83585932057106 15.999 > 49 55 O 0.17689296910066 0.69400786399574 0.16919265390439 15.999 > 55 56 O 0.67689296910066 0.69400786399574 0.16919265390439 15.999 > 55 57 O 0.17689296910066 0.69400786399574 0.50252598723772 15.999 > 55 58 O 0.67689296910066 0.69400786399574 0.50252598723772 15.999 > 55 59 O 0.17689296910066 0.69400786399574 0.83585932057106 15.999 > 55 60 O 0.67689296910066 0.69400786399574 0.83585932057106 15.999 > 55 61 O 0.07310703089934 0.19400786399574 0.33080734609561 15.999 > 61 62 O 0.57310703089934 0.19400786399574 0.33080734609561 15.999 > 61 63 O 0.07310703089934 0.19400786399574 0.66414067942894 15.999 > 61 64 O 0.57310703089934 0.19400786399574 0.66414067942894 15.999 > 61 65 O 0.07310703089934 0.19400786399574 0.99747401276228 15.999 > 61 66 O 0.57310703089934 0.19400786399574 0.99747401276228 15.999 > 61 67 O 0.17689296910066 0.80599213600426 0.33080734609561 15.999 > 67 68 O 0.67689296910066 0.80599213600426 0.33080734609561 15.999 > 67 69 O 0.17689296910066 0.80599213600426 0.66414067942894 15.999 > 67 70 O 0.67689296910066 0.80599213600426 0.66414067942894 15.999 > 67 71 O 0.17689296910066 0.80599213600426 0.99747401276228 15.999 > 67 72 O 0.67689296910066 0.80599213600426 0.99747401276228 15.999 > 67 73 O 0.42689296910066 0.69400786399574 0.16414067942894 15.999 > 73 74 O 0.92689296910066 0.69400786399574 0.16414067942894 15.999 > 73 75 O 0.42689296910066 0.69400786399574 0.49747401276228 15.999 > 73 76 O 0.92689296910066 0.69400786399574 0.49747401276228 15.999 > 73 77 O 0.42689296910066 0.69400786399574 0.83080734609561 15.999 > 73 78 O 0.92689296910066 0.69400786399574 0.83080734609561 15.999 > 73 79 O 0.32310703089934 0.30599213600426 0.16414067942894 15.999 > 79 80 O 0.82310703089934 0.30599213600426 0.16414067942894 15.999 > 79 81 O 0.32310703089934 0.30599213600426 0.49747401276228 15.999 > 79 82 O 0.82310703089934 0.30599213600426 0.49747401276228 15.999 > 79 83 O 0.32310703089934 0.30599213600426 0.83080734609561 15.999 > 79 84 O 0.82310703089934 0.30599213600426 0.83080734609561 15.999 > 79 85 O 0.42689296910066 0.80599213600426 0.00252598723772 15.999 > 85 86 O 0.92689296910066 0.80599213600426 0.00252598723772 15.999 > 85 87 O 0.42689296910066 0.80599213600426 0.33585932057106 15.999 > 85 88 O 0.92689296910066 0.80599213600426 0.33585932057106 15.999 > 85 89 O 0.42689296910066 0.80599213600426 0.66919265390439 15.999 > 85 90 O 0.92689296910066 0.80599213600426 0.66919265390439 15.999 > 85 91 O 0.32310703089934 0.19400786399574 0.00252598723772 15.999 > 91 92 O 0.82310703089934 0.19400786399574 0.00252598723772 15.999 > 91 93 O 0.32310703089934 0.19400786399574 0.33585932057106 15.999 > 91 94 O 0.82310703089934 0.19400786399574 0.33585932057106 15.999 > 91 95 O 0.32310703089934 0.19400786399574 0.66919265390439 15.999 > 91 96 O 0.82310703089934 0.19400786399574 0.66919265390439 15.999 > 91 97 Ta 0.43415983925315 0.25000000000000 0.25000000000000 180.948 > 97 98 Ta 0.93415983925315 0.25000000000000 0.25000000000000 180.948 > 97 99 Ta 0.43415983925315 0.25000000000000 0.58333333333333 180.948 > 97 100 Ta 0.93415983925315 0.25000000000000 0.58333333333333 180.948 > 97 101 Ta 0.43415983925315 0.25000000000000 0.91666666666667 180.948 > 97 102 Ta 0.93415983925315 0.25000000000000 0.91666666666667 180.948 > 97 103 Ta 0.31584016074685 0.75000000000000 0.25000000000000 180.948 > 103 104 Ta 0.81584016074685 0.75000000000000 0.25000000000000 180.948 > 103 105 Ta 0.31584016074685 0.75000000000000 0.58333333333333 180.948 > 103 106 Ta 0.81584016074685 0.75000000000000 0.58333333333333 180.948 > 103 107 Ta 0.31584016074685 0.75000000000000 0.91666666666667 180.948 > 103 108 Ta 0.81584016074685 0.75000000000000 0.91666666666667 180.948 > 103 109 Ta 0.06584016074685 0.75000000000000 0.08333333333333 180.948 > 109 110 Ta 0.56584016074685 0.75000000000000 0.08333333333333 180.948 > 109 111 Ta 0.06584016074685 0.75000000000000 0.41666666666667 180.948 > 109 112 Ta 0.56584016074685 0.75000000000000 0.41666666666667 180.948 > 109 113 Ta 0.06584016074685 0.75000000000000 0.75000000000000 180.948 > 109 114 Ta 0.56584016074685 0.75000000000000 0.75000000000000 180.948 > 109 115 Ta 0.18415983925315 0.25000000000000 0.08333333333333 180.948 > 115 116 Ta 0.68415983925315 0.25000000000000 0.08333333333333 180.948 > 115 117 Ta 0.18415983925315 0.25000000000000 0.41666666666667 180.948 > 115 118 Ta 0.68415983925315 0.25000000000000 0.41666666666667 180.948 > 115 119 Ta 0.18415983925315 0.25000000000000 0.75000000000000 180.948 > 115 120 Ta 0.68415983925315 0.25000000000000 0.75000000000000 180.948 > 115 121 Bi 0.37500000000000 0.50000000000000 0.07573931116309 208.980 > 121 122 Bi 0.87500000000000 0.50000000000000 0.07573931116309 208.980 > 121 123 Bi 0.37500000000000 0.50000000000000 0.40907264449642 208.980 > 121 124 Bi 0.87500000000000 0.50000000000000 0.40907264449642 208.980 > 121 125 Bi 0.37500000000000 0.50000000000000 0.74240597782976 208.980 > 121 126 Bi 0.87500000000000 0.50000000000000 0.74240597782976 208.980 > 121 127 Bi 0.37500000000000 0.00000000000000 0.09092735550358 208.980 > 127 128 Bi 0.87500000000000 0.00000000000000 0.09092735550358 208.980 > 127 129 Bi 0.37500000000000 0.00000000000000 0.42426068883691 208.980 > 127 130 Bi 0.87500000000000 0.00000000000000 0.42426068883691 208.980 > 127 131 Bi 0.37500000000000 0.00000000000000 0.75759402217024 208.980 > 127 132 Bi 0.87500000000000 0.00000000000000 0.75759402217024 208.980 > 127 133 Bi 0.12500000000000 0.50000000000000 0.25759402217024 208.980 > 133 134 Bi 0.62500000000000 0.50000000000000 0.25759402217024 208.980 > 133 135 Bi 0.12500000000000 0.50000000000000 0.59092735550358 208.980 > 133 136 Bi 0.62500000000000 0.50000000000000 0.59092735550358 208.980 > 133 137 Bi 0.12500000000000 0.50000000000000 0.92426068883691 208.980 > 133 138 Bi 0.62500000000000 0.50000000000000 0.92426068883691 208.980 > 133 139 Bi 0.12500000000000 0.00000000000000 0.24240597782976 208.980 > 139 140 Bi 0.62500000000000 0.00000000000000 0.24240597782976 208.980 > 139 141 Bi 0.12500000000000 0.00000000000000 0.57573931116309 208.980 > 139 142 Bi 0.62500000000000 0.00000000000000 0.57573931116309 208.980 > 139 143 Bi 0.12500000000000 0.00000000000000 0.90907264449642 208.980 > 139 144 Bi 0.62500000000000 0.00000000000000 0.90907264449642 208.980 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.9931080 0.0000000 0.0000000 0.0000000 6.3266193 0.0000000 0.0000000 0.0000000 5.8213067 -------------------------- Born effective charges -------------------------- 1 O -2.4288488 -0.2893805 0.9320491 -0.5986610 -4.0564390 -1.4129025 0.3842370 -1.3357912 -2.3291399 2 O -2.4288488 -0.2893805 -0.9320491 -0.5986610 -4.0564390 1.4129025 -0.3842370 1.3357912 -2.3291399 3 O -2.4288488 0.2893805 -0.9320491 0.5986610 -4.0564390 -1.4129025 -0.3842370 -1.3357912 -2.3291399 4 O -2.4288488 0.2893805 0.9320491 0.5986610 -4.0564390 1.4129025 0.3842370 1.3357912 -2.3291399 5 O -2.4288488 -0.2893805 0.9320491 -0.5986610 -4.0564390 -1.4129025 0.3842370 -1.3357912 -2.3291399 6 O -2.4288488 -0.2893805 -0.9320491 -0.5986610 -4.0564390 1.4129025 -0.3842370 1.3357912 -2.3291399 7 O -2.4288488 0.2893805 -0.9320491 0.5986610 -4.0564390 -1.4129025 -0.3842370 -1.3357912 -2.3291399 8 O -2.4288488 0.2893805 0.9320491 0.5986610 -4.0564390 1.4129025 0.3842370 1.3357912 -2.3291399 9 O -3.5507096 0.2961751 2.0198341 0.0741874 -2.3923244 -0.6558143 2.0472950 -0.7688446 -3.5417356 10 O -3.5507096 0.2961751 -2.0198341 0.0741874 -2.3923244 0.6558143 -2.0472950 0.7688446 -3.5417356 11 O -3.5507096 -0.2961751 -2.0198341 -0.0741874 -2.3923244 -0.6558143 -2.0472950 -0.7688446 -3.5417356 12 O -3.5507096 -0.2961751 2.0198341 -0.0741874 -2.3923244 0.6558143 2.0472950 0.7688446 -3.5417356 13 O -3.5507096 0.2961751 2.0198341 0.0741874 -2.3923244 -0.6558143 2.0472950 -0.7688446 -3.5417356 14 O -3.5507096 0.2961751 -2.0198341 0.0741874 -2.3923244 0.6558143 -2.0472950 0.7688446 -3.5417356 15 O -3.5507096 -0.2961751 -2.0198341 -0.0741874 -2.3923244 -0.6558143 -2.0472950 -0.7688446 -3.5417356 16 O -3.5507096 -0.2961751 2.0198341 -0.0741874 -2.3923244 0.6558143 2.0472950 0.7688446 -3.5417356 17 Ta 7.6085357 0.0000000 0.0000000 0.0000000 7.6916481 0.3451609 0.0000000 -0.5139963 7.7784476 18 Ta 7.6085357 0.0000000 0.0000000 0.0000000 7.6916481 -0.3451609 0.0000000 0.5139963 7.7784476 19 Ta 7.6085357 0.0000000 0.0000000 0.0000000 7.6916481 0.3451609 0.0000000 -0.5139963 7.7784476 20 Ta 7.6085357 0.0000000 0.0000000 0.0000000 7.6916481 -0.3451609 0.0000000 0.5139963 7.7784476 21 Bi 4.3505809 0.1332371 0.0000000 0.6943771 5.2058788 0.0000000 0.0000000 0.0000000 3.9633034 22 Bi 4.3505809 -0.1332371 0.0000000 -0.6943771 5.2058788 0.0000000 0.0000000 0.0000000 3.9633034 23 Bi 4.3505809 0.1332371 0.0000000 0.6943771 5.2058788 0.0000000 0.0000000 0.0000000 3.9633034 24 Bi 4.3505809 -0.1332371 0.0000000 -0.6943771 5.2058788 0.0000000 0.0000000 0.0000000 3.9633034 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 121, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (xzx) 0.00000001 (xzx) 0.00000001 (xxz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yz) -0.00000000 (yz) 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 08:47:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:47:53]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnna (52) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.655478400000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.752912690000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.968319670000000 Atomic positions (fractional): 1 O 0.08149918055539 0.59806995285973 0.08632091873227 15.999 2 O 0.41850081944461 0.40193004714027 0.08632091873227 15.999 3 O 0.08149918055539 0.90193004714027 0.41367908126773 15.999 4 O 0.41850081944461 0.09806995285973 0.41367908126773 15.999 5 O 0.91850081944461 0.40193004714027 0.91367908126773 15.999 6 O 0.58149918055539 0.59806995285973 0.91367908126773 15.999 7 O 0.91850081944461 0.09806995285973 0.58632091873227 15.999 8 O 0.58149918055539 0.90193004714027 0.58632091873227 15.999 9 O 0.14621406179868 0.30599213600426 0.50757796171317 15.999 10 O 0.35378593820132 0.69400786399574 0.50757796171317 15.999 11 O 0.14621406179868 0.19400786399574 0.99242203828683 15.999 12 O 0.35378593820132 0.80599213600426 0.99242203828683 15.999 13 O 0.85378593820132 0.69400786399574 0.49242203828683 15.999 14 O 0.64621406179868 0.30599213600426 0.49242203828683 15.999 15 O 0.85378593820132 0.80599213600426 0.00757796171317 15.999 16 O 0.64621406179868 0.19400786399574 0.00757796171317 15.999 17 Ta 0.86831967850631 0.25000000000000 0.75000000000000 180.948 18 Ta 0.63168032149369 0.75000000000000 0.75000000000000 180.948 19 Ta 0.13168032149369 0.75000000000000 0.25000000000000 180.948 20 Ta 0.36831967850631 0.25000000000000 0.25000000000000 180.948 21 Bi 0.75000000000000 0.50000000000000 0.22721793348927 208.980 22 Bi 0.75000000000000 0.00000000000000 0.27278206651073 208.980 23 Bi 0.25000000000000 0.50000000000000 0.77278206651073 208.980 24 Bi 0.25000000000000 0.00000000000000 0.72721793348927 208.980 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.310956800000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.752912690000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.904959009999999 Atomic positions (fractional): 1 O 0.04074959027770 0.59806995285973 0.02877363957742 15.999 > 1 2 O 0.54074959027770 0.59806995285973 0.02877363957742 15.999 > 1 3 O 0.04074959027770 0.59806995285973 0.36210697291076 15.999 > 1 4 O 0.54074959027770 0.59806995285973 0.36210697291076 15.999 > 1 5 O 0.04074959027770 0.59806995285973 0.69544030624409 15.999 > 1 6 O 0.54074959027770 0.59806995285973 0.69544030624409 15.999 > 1 7 O 0.20925040972230 0.40193004714027 0.02877363957742 15.999 > 7 8 O 0.70925040972230 0.40193004714027 0.02877363957742 15.999 > 7 9 O 0.20925040972230 0.40193004714027 0.36210697291076 15.999 > 7 10 O 0.70925040972230 0.40193004714027 0.36210697291076 15.999 > 7 11 O 0.20925040972230 0.40193004714027 0.69544030624409 15.999 > 7 12 O 0.70925040972230 0.40193004714027 0.69544030624409 15.999 > 7 13 O 0.04074959027770 0.90193004714027 0.13789302708924 15.999 > 13 14 O 0.54074959027770 0.90193004714027 0.13789302708924 15.999 > 13 15 O 0.04074959027770 0.90193004714027 0.47122636042258 15.999 > 13 16 O 0.54074959027770 0.90193004714027 0.47122636042258 15.999 > 13 17 O 0.04074959027770 0.90193004714027 0.80455969375591 15.999 > 13 18 O 0.54074959027770 0.90193004714027 0.80455969375591 15.999 > 13 19 O 0.20925040972230 0.09806995285973 0.13789302708924 15.999 > 19 20 O 0.70925040972230 0.09806995285973 0.13789302708924 15.999 > 19 21 O 0.20925040972230 0.09806995285973 0.47122636042258 15.999 > 19 22 O 0.70925040972230 0.09806995285973 0.47122636042258 15.999 > 19 23 O 0.20925040972230 0.09806995285973 0.80455969375591 15.999 > 19 24 O 0.70925040972230 0.09806995285973 0.80455969375591 15.999 > 19 25 O 0.45925040972230 0.40193004714027 0.30455969375591 15.999 > 25 26 O 0.95925040972230 0.40193004714027 0.30455969375591 15.999 > 25 27 O 0.45925040972230 0.40193004714027 0.63789302708924 15.999 > 25 28 O 0.95925040972230 0.40193004714027 0.63789302708924 15.999 > 25 29 O 0.45925040972230 0.40193004714027 0.97122636042258 15.999 > 25 30 O 0.95925040972230 0.40193004714027 0.97122636042258 15.999 > 25 31 O 0.29074959027770 0.59806995285973 0.30455969375591 15.999 > 31 32 O 0.79074959027770 0.59806995285973 0.30455969375591 15.999 > 31 33 O 0.29074959027770 0.59806995285973 0.63789302708924 15.999 > 31 34 O 0.79074959027770 0.59806995285973 0.63789302708924 15.999 > 31 35 O 0.29074959027770 0.59806995285973 0.97122636042258 15.999 > 31 36 O 0.79074959027770 0.59806995285973 0.97122636042258 15.999 > 31 37 O 0.45925040972230 0.09806995285973 0.19544030624409 15.999 > 37 38 O 0.95925040972230 0.09806995285973 0.19544030624409 15.999 > 37 39 O 0.45925040972230 0.09806995285973 0.52877363957742 15.999 > 37 40 O 0.95925040972230 0.09806995285973 0.52877363957742 15.999 > 37 41 O 0.45925040972230 0.09806995285973 0.86210697291076 15.999 > 37 42 O 0.95925040972230 0.09806995285973 0.86210697291076 15.999 > 37 43 O 0.29074959027770 0.90193004714027 0.19544030624409 15.999 > 43 44 O 0.79074959027770 0.90193004714027 0.19544030624409 15.999 > 43 45 O 0.29074959027770 0.90193004714027 0.52877363957742 15.999 > 43 46 O 0.79074959027770 0.90193004714027 0.52877363957742 15.999 > 43 47 O 0.29074959027770 0.90193004714027 0.86210697291076 15.999 > 43 48 O 0.79074959027770 0.90193004714027 0.86210697291076 15.999 > 43 49 O 0.07310703089934 0.30599213600426 0.16919265390439 15.999 > 49 50 O 0.57310703089934 0.30599213600426 0.16919265390439 15.999 > 49 51 O 0.07310703089934 0.30599213600426 0.50252598723772 15.999 > 49 52 O 0.57310703089934 0.30599213600426 0.50252598723772 15.999 > 49 53 O 0.07310703089934 0.30599213600426 0.83585932057106 15.999 > 49 54 O 0.57310703089934 0.30599213600426 0.83585932057106 15.999 > 49 55 O 0.17689296910066 0.69400786399574 0.16919265390439 15.999 > 55 56 O 0.67689296910066 0.69400786399574 0.16919265390439 15.999 > 55 57 O 0.17689296910066 0.69400786399574 0.50252598723772 15.999 > 55 58 O 0.67689296910066 0.69400786399574 0.50252598723772 15.999 > 55 59 O 0.17689296910066 0.69400786399574 0.83585932057106 15.999 > 55 60 O 0.67689296910066 0.69400786399574 0.83585932057106 15.999 > 55 61 O 0.07310703089934 0.19400786399574 0.33080734609561 15.999 > 61 62 O 0.57310703089934 0.19400786399574 0.33080734609561 15.999 > 61 63 O 0.07310703089934 0.19400786399574 0.66414067942894 15.999 > 61 64 O 0.57310703089934 0.19400786399574 0.66414067942894 15.999 > 61 65 O 0.07310703089934 0.19400786399574 0.99747401276228 15.999 > 61 66 O 0.57310703089934 0.19400786399574 0.99747401276228 15.999 > 61 67 O 0.17689296910066 0.80599213600426 0.33080734609561 15.999 > 67 68 O 0.67689296910066 0.80599213600426 0.33080734609561 15.999 > 67 69 O 0.17689296910066 0.80599213600426 0.66414067942894 15.999 > 67 70 O 0.67689296910066 0.80599213600426 0.66414067942894 15.999 > 67 71 O 0.17689296910066 0.80599213600426 0.99747401276228 15.999 > 67 72 O 0.67689296910066 0.80599213600426 0.99747401276228 15.999 > 67 73 O 0.42689296910066 0.69400786399574 0.16414067942894 15.999 > 73 74 O 0.92689296910066 0.69400786399574 0.16414067942894 15.999 > 73 75 O 0.42689296910066 0.69400786399574 0.49747401276228 15.999 > 73 76 O 0.92689296910066 0.69400786399574 0.49747401276228 15.999 > 73 77 O 0.42689296910066 0.69400786399574 0.83080734609561 15.999 > 73 78 O 0.92689296910066 0.69400786399574 0.83080734609561 15.999 > 73 79 O 0.32310703089934 0.30599213600426 0.16414067942894 15.999 > 79 80 O 0.82310703089934 0.30599213600426 0.16414067942894 15.999 > 79 81 O 0.32310703089934 0.30599213600426 0.49747401276228 15.999 > 79 82 O 0.82310703089934 0.30599213600426 0.49747401276228 15.999 > 79 83 O 0.32310703089934 0.30599213600426 0.83080734609561 15.999 > 79 84 O 0.82310703089934 0.30599213600426 0.83080734609561 15.999 > 79 85 O 0.42689296910066 0.80599213600426 0.00252598723772 15.999 > 85 86 O 0.92689296910066 0.80599213600426 0.00252598723772 15.999 > 85 87 O 0.42689296910066 0.80599213600426 0.33585932057106 15.999 > 85 88 O 0.92689296910066 0.80599213600426 0.33585932057106 15.999 > 85 89 O 0.42689296910066 0.80599213600426 0.66919265390439 15.999 > 85 90 O 0.92689296910066 0.80599213600426 0.66919265390439 15.999 > 85 91 O 0.32310703089934 0.19400786399574 0.00252598723772 15.999 > 91 92 O 0.82310703089934 0.19400786399574 0.00252598723772 15.999 > 91 93 O 0.32310703089934 0.19400786399574 0.33585932057106 15.999 > 91 94 O 0.82310703089934 0.19400786399574 0.33585932057106 15.999 > 91 95 O 0.32310703089934 0.19400786399574 0.66919265390439 15.999 > 91 96 O 0.82310703089934 0.19400786399574 0.66919265390439 15.999 > 91 97 Ta 0.43415983925315 0.25000000000000 0.25000000000000 180.948 > 97 98 Ta 0.93415983925315 0.25000000000000 0.25000000000000 180.948 > 97 99 Ta 0.43415983925315 0.25000000000000 0.58333333333333 180.948 > 97 100 Ta 0.93415983925315 0.25000000000000 0.58333333333333 180.948 > 97 101 Ta 0.43415983925315 0.25000000000000 0.91666666666667 180.948 > 97 102 Ta 0.93415983925315 0.25000000000000 0.91666666666667 180.948 > 97 103 Ta 0.31584016074685 0.75000000000000 0.25000000000000 180.948 > 103 104 Ta 0.81584016074685 0.75000000000000 0.25000000000000 180.948 > 103 105 Ta 0.31584016074685 0.75000000000000 0.58333333333333 180.948 > 103 106 Ta 0.81584016074685 0.75000000000000 0.58333333333333 180.948 > 103 107 Ta 0.31584016074685 0.75000000000000 0.91666666666667 180.948 > 103 108 Ta 0.81584016074685 0.75000000000000 0.91666666666667 180.948 > 103 109 Ta 0.06584016074685 0.75000000000000 0.08333333333333 180.948 > 109 110 Ta 0.56584016074685 0.75000000000000 0.08333333333333 180.948 > 109 111 Ta 0.06584016074685 0.75000000000000 0.41666666666667 180.948 > 109 112 Ta 0.56584016074685 0.75000000000000 0.41666666666667 180.948 > 109 113 Ta 0.06584016074685 0.75000000000000 0.75000000000000 180.948 > 109 114 Ta 0.56584016074685 0.75000000000000 0.75000000000000 180.948 > 109 115 Ta 0.18415983925315 0.25000000000000 0.08333333333333 180.948 > 115 116 Ta 0.68415983925315 0.25000000000000 0.08333333333333 180.948 > 115 117 Ta 0.18415983925315 0.25000000000000 0.41666666666667 180.948 > 115 118 Ta 0.68415983925315 0.25000000000000 0.41666666666667 180.948 > 115 119 Ta 0.18415983925315 0.25000000000000 0.75000000000000 180.948 > 115 120 Ta 0.68415983925315 0.25000000000000 0.75000000000000 180.948 > 115 121 Bi 0.37500000000000 0.50000000000000 0.07573931116309 208.980 > 121 122 Bi 0.87500000000000 0.50000000000000 0.07573931116309 208.980 > 121 123 Bi 0.37500000000000 0.50000000000000 0.40907264449642 208.980 > 121 124 Bi 0.87500000000000 0.50000000000000 0.40907264449642 208.980 > 121 125 Bi 0.37500000000000 0.50000000000000 0.74240597782976 208.980 > 121 126 Bi 0.87500000000000 0.50000000000000 0.74240597782976 208.980 > 121 127 Bi 0.37500000000000 0.00000000000000 0.09092735550358 208.980 > 127 128 Bi 0.87500000000000 0.00000000000000 0.09092735550358 208.980 > 127 129 Bi 0.37500000000000 0.00000000000000 0.42426068883691 208.980 > 127 130 Bi 0.87500000000000 0.00000000000000 0.42426068883691 208.980 > 127 131 Bi 0.37500000000000 0.00000000000000 0.75759402217024 208.980 > 127 132 Bi 0.87500000000000 0.00000000000000 0.75759402217024 208.980 > 127 133 Bi 0.12500000000000 0.50000000000000 0.25759402217024 208.980 > 133 134 Bi 0.62500000000000 0.50000000000000 0.25759402217024 208.980 > 133 135 Bi 0.12500000000000 0.50000000000000 0.59092735550358 208.980 > 133 136 Bi 0.62500000000000 0.50000000000000 0.59092735550358 208.980 > 133 137 Bi 0.12500000000000 0.50000000000000 0.92426068883691 208.980 > 133 138 Bi 0.62500000000000 0.50000000000000 0.92426068883691 208.980 > 133 139 Bi 0.12500000000000 0.00000000000000 0.24240597782976 208.980 > 139 140 Bi 0.62500000000000 0.00000000000000 0.24240597782976 208.980 > 139 141 Bi 0.12500000000000 0.00000000000000 0.57573931116309 208.980 > 139 142 Bi 0.62500000000000 0.00000000000000 0.57573931116309 208.980 > 139 143 Bi 0.12500000000000 0.00000000000000 0.90907264449642 208.980 > 139 144 Bi 0.62500000000000 0.00000000000000 0.90907264449642 208.980 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.9931080 0.0000000 0.0000000 0.0000000 6.3266193 0.0000000 0.0000000 0.0000000 5.8213067 -------------------------- Born effective charges -------------------------- 1 O -2.4288488 -0.2893805 0.9320491 -0.5986610 -4.0564390 -1.4129025 0.3842370 -1.3357912 -2.3291399 2 O -2.4288488 -0.2893805 -0.9320491 -0.5986610 -4.0564390 1.4129025 -0.3842370 1.3357912 -2.3291399 3 O -2.4288488 0.2893805 -0.9320491 0.5986610 -4.0564390 -1.4129025 -0.3842370 -1.3357912 -2.3291399 4 O -2.4288488 0.2893805 0.9320491 0.5986610 -4.0564390 1.4129025 0.3842370 1.3357912 -2.3291399 5 O -2.4288488 -0.2893805 0.9320491 -0.5986610 -4.0564390 -1.4129025 0.3842370 -1.3357912 -2.3291399 6 O -2.4288488 -0.2893805 -0.9320491 -0.5986610 -4.0564390 1.4129025 -0.3842370 1.3357912 -2.3291399 7 O -2.4288488 0.2893805 -0.9320491 0.5986610 -4.0564390 -1.4129025 -0.3842370 -1.3357912 -2.3291399 8 O -2.4288488 0.2893805 0.9320491 0.5986610 -4.0564390 1.4129025 0.3842370 1.3357912 -2.3291399 9 O -3.5507096 0.2961751 2.0198341 0.0741874 -2.3923244 -0.6558143 2.0472950 -0.7688446 -3.5417356 10 O -3.5507096 0.2961751 -2.0198341 0.0741874 -2.3923244 0.6558143 -2.0472950 0.7688446 -3.5417356 11 O -3.5507096 -0.2961751 -2.0198341 -0.0741874 -2.3923244 -0.6558143 -2.0472950 -0.7688446 -3.5417356 12 O -3.5507096 -0.2961751 2.0198341 -0.0741874 -2.3923244 0.6558143 2.0472950 0.7688446 -3.5417356 13 O -3.5507096 0.2961751 2.0198341 0.0741874 -2.3923244 -0.6558143 2.0472950 -0.7688446 -3.5417356 14 O -3.5507096 0.2961751 -2.0198341 0.0741874 -2.3923244 0.6558143 -2.0472950 0.7688446 -3.5417356 15 O -3.5507096 -0.2961751 -2.0198341 -0.0741874 -2.3923244 -0.6558143 -2.0472950 -0.7688446 -3.5417356 16 O -3.5507096 -0.2961751 2.0198341 -0.0741874 -2.3923244 0.6558143 2.0472950 0.7688446 -3.5417356 17 Ta 7.6085357 0.0000000 0.0000000 0.0000000 7.6916481 0.3451609 0.0000000 -0.5139963 7.7784476 18 Ta 7.6085357 0.0000000 0.0000000 0.0000000 7.6916481 -0.3451609 0.0000000 0.5139963 7.7784476 19 Ta 7.6085357 0.0000000 0.0000000 0.0000000 7.6916481 0.3451609 0.0000000 -0.5139963 7.7784476 20 Ta 7.6085357 0.0000000 0.0000000 0.0000000 7.6916481 -0.3451609 0.0000000 0.5139963 7.7784476 21 Bi 4.3505809 0.1332371 0.0000000 0.6943771 5.2058788 0.0000000 0.0000000 0.0000000 3.9633034 22 Bi 4.3505809 -0.1332371 0.0000000 -0.6943771 5.2058788 0.0000000 0.0000000 0.0000000 3.9633034 23 Bi 4.3505809 0.1332371 0.0000000 0.6943771 5.2058788 0.0000000 0.0000000 0.0000000 3.9633034 24 Bi 4.3505809 -0.1332371 0.0000000 -0.6943771 5.2058788 0.0000000 0.0000000 0.0000000 3.9633034 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (xzx) 0.00000001 (xzx) 0.00000001 (xxz) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 4 10 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.60, Number of G-points: 305, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/90) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.893 ( 0.000 0.000 0.000) 0.000 1.244 ( 0.000 0.000 0.000) 0.000 1.820 ( 0.000 0.000 0.000) 0.000 1.943 ( 0.000 0.000 0.000) 0.000 2.123 ( 0.000 0.000 0.000) 0.000 2.379 ( 0.000 0.000 0.000) 0.000 2.486 ( 0.000 0.000 0.000) 0.000 2.747 ( 0.000 0.000 0.000) 0.000 2.859 ( 0.000 0.000 0.000) 0.000 2.868 ( 0.000 0.000 0.000) 0.000 2.911 ( 0.000 0.000 0.000) 0.000 3.061 ( 0.000 0.000 0.000) 0.000 3.350 ( 0.000 0.000 0.000) 0.000 3.979 ( 0.000 0.000 0.000) 0.000 4.153 ( 0.000 0.000 0.000) 0.000 4.289 ( 0.000 0.000 0.000) 0.000 4.310 ( 0.000 0.000 0.000) 0.000 4.546 ( 0.000 0.000 0.000) 0.000 4.676 ( 0.000 0.000 0.000) 0.000 4.684 ( 0.000 0.000 0.000) 0.000 5.552 ( 0.000 0.000 0.000) 0.000 5.564 ( 0.000 0.000 0.000) 0.000 5.684 ( 0.000 0.000 0.000) 0.000 5.684 ( 0.000 0.000 0.000) 0.000 5.743 ( 0.000 0.000 0.000) 0.000 6.004 ( 0.000 0.000 0.000) 0.000 6.448 ( 0.000 0.000 0.000) 0.000 6.704 ( 0.000 0.000 0.000) 0.000 6.772 ( 0.000 0.000 0.000) 0.000 6.791 ( 0.000 0.000 0.000) 0.000 6.931 ( 0.000 0.000 0.000) 0.000 6.980 ( 0.000 0.000 0.000) 0.000 7.465 ( 0.000 0.000 0.000) 0.000 8.224 ( 0.000 0.000 0.000) 0.000 8.591 ( 0.000 0.000 0.000) 0.000 8.785 ( 0.000 0.000 0.000) 0.000 9.269 ( 0.000 0.000 0.000) 0.000 9.351 ( 0.000 0.000 0.000) 0.000 9.534 ( 0.000 0.000 0.000) 0.000 9.833 ( 0.000 0.000 0.000) 0.000 10.297 ( 0.000 0.000 0.000) 0.000 10.457 ( 0.000 0.000 0.000) 0.000 11.286 ( 0.000 0.000 0.000) 0.000 11.486 ( 0.000 0.000 0.000) 0.000 11.488 ( 0.000 0.000 0.000) 0.000 12.019 ( 0.000 0.000 0.000) 0.000 12.210 ( 0.000 0.000 0.000) 0.000 12.736 ( 0.000 0.000 0.000) 0.000 12.738 ( 0.000 0.000 0.000) 0.000 12.804 ( 0.000 0.000 0.000) 0.000 13.103 ( 0.000 0.000 0.000) 0.000 13.643 ( 0.000 0.000 0.000) 0.000 15.178 ( 0.000 0.000 0.000) 0.000 15.654 ( 0.000 0.000 0.000) 0.000 16.120 ( 0.000 0.000 0.000) 0.000 16.189 ( 0.000 0.000 0.000) 0.000 17.322 ( 0.000 0.000 0.000) 0.000 17.426 ( 0.000 0.000 0.000) 0.000 18.173 ( 0.000 0.000 0.000) 0.000 18.755 ( 0.000 0.000 0.000) 0.000 18.813 ( 0.000 0.000 0.000) 0.000 19.126 ( 0.000 0.000 0.000) 0.000 19.867 ( 0.000 0.000 0.000) 0.000 20.018 ( 0.000 0.000 0.000) 0.000 21.830 ( 0.000 0.000 0.000) 0.000 22.190 ( 0.000 0.000 0.000) 0.000 22.483 ( 0.000 0.000 0.000) 0.000 26.441 ( 0.000 0.000 0.000) 0.000 26.477 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/90) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.381 ( 19.400 0.000 0.000) 19.400 0.456 ( 24.647 0.000 0.000) 24.647 0.899 ( 43.421 0.000 0.000) 43.421 1.140 ( 20.249 0.000 0.000) 20.249 1.328 ( 7.085 0.000 0.000) 7.085 1.984 ( 4.030 0.000 0.000) 4.030 2.019 ( 17.600 0.000 0.000) 17.600 2.373 ( 23.647 0.000 0.000) 23.647 2.425 ( 5.534 0.000 0.000) 5.534 2.464 ( -1.867 0.000 0.000) 1.867 2.823 ( 6.624 0.000 0.000) 6.624 2.882 ( -2.037 0.000 0.000) 2.037 2.891 ( 2.750 0.000 0.000) 2.750 2.972 ( 9.432 0.000 0.000) 9.432 3.241 ( 16.674 0.000 0.000) 16.674 3.472 ( 12.591 0.000 0.000) 12.591 4.057 ( -10.034 0.000 0.000) 10.034 4.261 ( 11.177 0.000 0.000) 11.177 4.292 ( 0.191 0.000 0.000) 0.191 4.424 ( 1.843 0.000 0.000) 1.843 4.484 ( -5.886 0.000 0.000) 5.886 4.762 ( 7.340 0.000 0.000) 7.340 4.831 ( -3.612 0.000 0.000) 3.612 5.492 ( -3.028 0.000 0.000) 3.028 5.650 ( 5.484 0.000 0.000) 5.484 5.665 ( -8.737 0.000 0.000) 8.737 5.693 ( 0.938 0.000 0.000) 0.938 5.889 ( 13.673 0.000 0.000) 13.673 5.911 ( -7.330 0.000 0.000) 7.330 6.461 ( 1.190 0.000 0.000) 1.190 6.708 ( 0.293 0.000 0.000) 0.293 6.943 ( -3.557 0.000 0.000) 3.557 6.949 ( 0.352 0.000 0.000) 0.352 7.216 ( 39.687 0.000 0.000) 39.687 7.442 ( -2.388 0.000 0.000) 2.388 7.815 ( 18.050 0.000 0.000) 18.050 8.164 ( -6.148 0.000 0.000) 6.148 8.631 ( 4.057 0.000 0.000) 4.057 8.632 ( -14.025 0.000 0.000) 14.025 9.337 ( 5.371 0.000 0.000) 5.371 9.437 ( 9.026 0.000 0.000) 9.026 9.727 ( -10.165 0.000 0.000) 10.165 10.263 ( -17.599 0.000 0.000) 17.599 10.270 ( -2.929 0.000 0.000) 2.929 11.105 ( -11.780 0.000 0.000) 11.780 11.389 ( -8.222 0.000 0.000) 8.222 11.456 ( 4.235 0.000 0.000) 4.235 11.460 ( -4.514 0.000 0.000) 4.514 12.087 ( 5.294 0.000 0.000) 5.294 12.700 ( -3.002 0.000 0.000) 3.002 12.714 ( -2.254 0.000 0.000) 2.254 12.732 ( -6.660 0.000 0.000) 6.660 13.142 ( 4.075 0.000 0.000) 4.075 13.688 ( 3.822 0.000 0.000) 3.822 14.450 ( 6.822 0.000 0.000) 6.822 15.169 ( -0.988 0.000 0.000) 0.988 15.693 ( 3.857 0.000 0.000) 3.857 16.123 ( 0.180 0.000 0.000) 0.180 16.326 ( 13.766 0.000 0.000) 13.766 17.393 ( -2.855 0.000 0.000) 2.855 18.133 ( -3.961 0.000 0.000) 3.961 18.639 ( -3.957 0.000 0.000) 3.957 19.028 ( 14.101 0.000 0.000) 14.101 19.185 ( 5.815 0.000 0.000) 5.815 19.821 ( -4.878 0.000 0.000) 4.878 19.976 ( -4.332 0.000 0.000) 4.332 21.460 ( -10.220 0.000 0.000) 10.220 22.003 ( -18.303 0.000 0.000) 18.303 22.225 ( 9.509 0.000 0.000) 9.509 23.020 ( 31.465 0.000 0.000) 31.465 26.343 ( -8.114 0.000 0.000) 8.114 26.470 ( -2.791 0.000 0.000) 2.791 ======================= Grid point 2 (3/90) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.745 ( 17.047 0.000 0.000) 17.047 0.940 ( 23.000 0.000 0.000) 23.000 1.466 ( 6.574 0.000 0.000) 6.574 1.527 ( 17.260 0.000 0.000) 17.260 1.612 ( 27.102 0.000 0.000) 27.102 2.088 ( 6.002 0.000 0.000) 6.002 2.433 ( -0.463 0.000 0.000) 0.463 2.467 ( 26.754 0.000 0.000) 26.754 2.607 ( 11.941 0.000 0.000) 11.941 2.811 ( -4.726 0.000 0.000) 4.726 2.925 ( 0.481 0.000 0.000) 0.481 2.952 ( 32.015 0.000 0.000) 32.015 2.995 ( 10.947 0.000 0.000) 10.947 3.242 ( 16.542 0.000 0.000) 16.542 3.589 ( 15.369 0.000 0.000) 15.369 3.837 ( 22.499 0.000 0.000) 22.499 3.881 ( -7.063 0.000 0.000) 7.063 4.286 ( -1.105 0.000 0.000) 1.105 4.365 ( -3.066 0.000 0.000) 3.066 4.390 ( -0.143 0.000 0.000) 0.143 4.575 ( 19.160 0.000 0.000) 19.160 4.943 ( 10.806 0.000 0.000) 10.806 4.970 ( 14.063 0.000 0.000) 14.063 5.401 ( -16.892 0.000 0.000) 16.892 5.431 ( -3.440 0.000 0.000) 3.440 5.723 ( 2.075 0.000 0.000) 2.075 5.766 ( -7.896 0.000 0.000) 7.896 5.776 ( 7.317 0.000 0.000) 7.317 6.160 ( 14.706 0.000 0.000) 14.706 6.486 ( 1.129 0.000 0.000) 1.129 6.709 ( -0.311 0.000 0.000) 0.311 6.849 ( -5.866 0.000 0.000) 5.866 6.885 ( -7.673 0.000 0.000) 7.673 7.372 ( -4.623 0.000 0.000) 4.623 7.982 ( -12.236 0.000 0.000) 12.236 8.143 ( 50.191 0.000 0.000) 50.191 8.281 ( -20.925 0.000 0.000) 20.925 8.300 ( 30.094 0.000 0.000) 30.094 8.747 ( 7.261 0.000 0.000) 7.261 9.457 ( 7.067 0.000 0.000) 7.067 9.470 ( -14.934 0.000 0.000) 14.934 9.699 ( 17.161 0.000 0.000) 17.161 9.868 ( -20.145 0.000 0.000) 20.145 10.177 ( -6.552 0.000 0.000) 6.552 10.849 ( -14.197 0.000 0.000) 14.197 11.161 ( -14.976 0.000 0.000) 14.976 11.307 ( -11.255 0.000 0.000) 11.255 11.464 ( -3.920 0.000 0.000) 3.920 12.172 ( 2.757 0.000 0.000) 2.757 12.574 ( -8.714 0.000 0.000) 8.714 12.649 ( -1.630 0.000 0.000) 1.630 12.662 ( -2.632 0.000 0.000) 2.632 13.260 ( 7.679 0.000 0.000) 7.679 13.761 ( 2.871 0.000 0.000) 2.871 14.610 ( 8.491 0.000 0.000) 8.491 15.136 ( -2.397 0.000 0.000) 2.397 15.794 ( 5.956 0.000 0.000) 5.956 16.123 ( -0.295 0.000 0.000) 0.295 16.716 ( 25.460 0.000 0.000) 25.460 17.344 ( -1.327 0.000 0.000) 1.327 18.024 ( -6.995 0.000 0.000) 6.995 18.634 ( 3.623 0.000 0.000) 3.623 19.332 ( 16.523 0.000 0.000) 16.523 19.345 ( 10.279 0.000 0.000) 10.279 19.657 ( -12.525 0.000 0.000) 12.525 19.848 ( -8.606 0.000 0.000) 8.606 21.096 ( -22.501 0.000 0.000) 22.501 21.525 ( -28.611 0.000 0.000) 28.611 22.777 ( 40.606 0.000 0.000) 40.606 23.663 ( 33.626 0.000 0.000) 33.626 26.132 ( -13.520 0.000 0.000) 13.520 26.341 ( -10.783 0.000 0.000) 10.783 ======================= Grid point 3 (4/90) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( 12.029 0.000 0.000) 12.029 1.268 ( 8.437 0.000 0.000) 8.437 1.628 ( 11.270 0.000 0.000) 11.270 1.801 ( 10.671 0.000 0.000) 10.671 1.979 ( 11.968 0.000 0.000) 11.968 2.180 ( 2.401 0.000 0.000) 2.401 2.488 ( 6.688 0.000 0.000) 6.688 2.713 ( -4.712 0.000 0.000) 4.712 2.784 ( 1.316 0.000 0.000) 1.316 2.891 ( 10.782 0.000 0.000) 10.782 2.956 ( 7.127 0.000 0.000) 7.127 3.271 ( 16.329 0.000 0.000) 16.329 3.550 ( 12.856 0.000 0.000) 12.856 3.558 ( 29.250 0.000 0.000) 29.250 3.681 ( -7.011 0.000 0.000) 7.011 3.846 ( 5.228 0.000 0.000) 5.228 4.240 ( -3.684 0.000 0.000) 3.684 4.260 ( 21.377 0.000 0.000) 21.377 4.519 ( 13.664 0.000 0.000) 13.664 4.534 ( 18.167 0.000 0.000) 18.167 4.872 ( 7.686 0.000 0.000) 7.686 5.038 ( -19.651 0.000 0.000) 19.651 5.209 ( 10.904 0.000 0.000) 10.904 5.311 ( 20.202 0.000 0.000) 20.202 5.381 ( 4.791 0.000 0.000) 4.791 5.573 ( -12.215 0.000 0.000) 12.215 5.772 ( 3.062 0.000 0.000) 3.062 5.923 ( 6.955 0.000 0.000) 6.955 6.484 ( 18.470 0.000 0.000) 18.470 6.491 ( -1.992 0.000 0.000) 1.992 6.638 ( -17.201 0.000 0.000) 17.201 6.691 ( -1.491 0.000 0.000) 1.491 6.718 ( -6.732 0.000 0.000) 6.732 7.281 ( -3.845 0.000 0.000) 3.845 7.699 ( -15.772 0.000 0.000) 15.772 7.832 ( -24.294 0.000 0.000) 24.294 8.872 ( 3.830 0.000 0.000) 3.830 8.946 ( 34.587 0.000 0.000) 34.587 9.087 ( 44.642 0.000 0.000) 44.642 9.181 ( -13.533 0.000 0.000) 13.533 9.570 ( -7.615 0.000 0.000) 7.615 9.627 ( 10.418 0.000 0.000) 10.418 10.015 ( -9.750 0.000 0.000) 9.750 10.077 ( 19.791 0.000 0.000) 19.791 10.550 ( -16.031 0.000 0.000) 16.031 10.805 ( -20.797 0.000 0.000) 20.797 11.016 ( -18.192 0.000 0.000) 18.192 11.301 ( -12.305 0.000 0.000) 12.305 12.201 ( 0.738 0.000 0.000) 0.738 12.410 ( -7.597 0.000 0.000) 7.597 12.623 ( -1.098 0.000 0.000) 1.098 12.638 ( 0.022 0.000 0.000) 0.022 13.428 ( 8.907 0.000 0.000) 8.907 13.782 ( -0.907 0.000 0.000) 0.907 14.761 ( 6.764 0.000 0.000) 6.764 15.073 ( -3.977 0.000 0.000) 3.977 15.911 ( 5.627 0.000 0.000) 5.627 16.108 ( -1.277 0.000 0.000) 1.277 17.305 ( 33.833 0.000 0.000) 33.833 17.365 ( 3.788 0.000 0.000) 3.788 17.864 ( -9.142 0.000 0.000) 9.142 18.780 ( 10.973 0.000 0.000) 10.973 19.304 ( -23.789 0.000 0.000) 23.789 19.582 ( 13.725 0.000 0.000) 13.725 19.638 ( -12.715 0.000 0.000) 12.715 19.670 ( 17.862 0.000 0.000) 17.862 20.652 ( -22.056 0.000 0.000) 22.056 20.950 ( -28.353 0.000 0.000) 28.353 23.670 ( 47.773 0.000 0.000) 47.773 24.325 ( 33.408 0.000 0.000) 33.408 25.802 ( -20.436 0.000 0.000) 20.436 26.035 ( -20.494 0.000 0.000) 20.494 ======================= Grid point 4 (5/90) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( 7.066 0.000 0.000) 7.066 1.311 ( -2.103 0.000 0.000) 2.103 1.852 ( 9.103 0.000 0.000) 9.103 1.930 ( 1.663 0.000 0.000) 1.663 2.133 ( 4.659 0.000 0.000) 4.659 2.187 ( -1.184 0.000 0.000) 1.184 2.657 ( -0.132 0.000 0.000) 0.132 2.675 ( 11.168 0.000 0.000) 11.168 2.714 ( -4.968 0.000 0.000) 4.968 2.880 ( -8.213 0.000 0.000) 8.213 3.179 ( 13.281 0.000 0.000) 13.281 3.451 ( -13.851 0.000 0.000) 13.851 3.569 ( 12.137 0.000 0.000) 12.137 3.691 ( 0.557 0.000 0.000) 0.557 3.973 ( 10.664 0.000 0.000) 10.664 4.139 ( -6.731 0.000 0.000) 6.731 4.155 ( 25.405 0.000 0.000) 25.405 4.629 ( -22.279 0.000 0.000) 22.279 4.670 ( 18.318 0.000 0.000) 18.318 4.866 ( 13.841 0.000 0.000) 13.841 4.881 ( 21.041 0.000 0.000) 21.041 4.897 ( -4.484 0.000 0.000) 4.484 5.112 ( -11.427 0.000 0.000) 11.427 5.276 ( -18.068 0.000 0.000) 18.068 5.753 ( 24.243 0.000 0.000) 24.243 5.758 ( 19.084 0.000 0.000) 19.084 5.849 ( 4.008 0.000 0.000) 4.008 6.032 ( 5.862 0.000 0.000) 5.862 6.231 ( -23.479 0.000 0.000) 23.479 6.306 ( -16.374 0.000 0.000) 16.374 6.657 ( -0.021 0.000 0.000) 0.021 6.664 ( -0.795 0.000 0.000) 0.795 6.885 ( 22.190 0.000 0.000) 22.190 7.258 ( 2.655 0.000 0.000) 2.655 7.347 ( -24.535 0.000 0.000) 24.535 7.409 ( -12.340 0.000 0.000) 12.340 8.892 ( 0.555 0.000 0.000) 0.555 8.967 ( -7.597 0.000 0.000) 7.597 9.597 ( 8.249 0.000 0.000) 8.249 9.614 ( 32.109 0.000 0.000) 32.109 9.803 ( -11.398 0.000 0.000) 11.398 9.859 ( 11.922 0.000 0.000) 11.922 9.864 ( 32.567 0.000 0.000) 32.567 10.216 ( -18.446 0.000 0.000) 18.446 10.244 ( -12.698 0.000 0.000) 12.698 10.470 ( -15.232 0.000 0.000) 15.232 10.707 ( 2.075 0.000 0.000) 2.075 11.002 ( -17.449 0.000 0.000) 17.449 12.222 ( 1.874 0.000 0.000) 1.874 12.286 ( -4.813 0.000 0.000) 4.813 12.620 ( 0.556 0.000 0.000) 0.556 12.634 ( -0.575 0.000 0.000) 0.575 13.595 ( 7.822 0.000 0.000) 7.822 13.723 ( -4.964 0.000 0.000) 4.964 14.880 ( 5.522 0.000 0.000) 5.522 14.984 ( -5.034 0.000 0.000) 5.034 16.007 ( 4.061 0.000 0.000) 4.061 16.071 ( -2.516 0.000 0.000) 2.516 17.488 ( 8.345 0.000 0.000) 8.345 17.673 ( -9.967 0.000 0.000) 9.967 18.013 ( 37.359 0.000 0.000) 37.359 18.728 ( -34.051 0.000 0.000) 34.051 19.045 ( 15.373 0.000 0.000) 15.373 19.356 ( -15.622 0.000 0.000) 15.622 19.882 ( 16.791 0.000 0.000) 16.791 20.035 ( 19.377 0.000 0.000) 19.377 20.240 ( -19.670 0.000 0.000) 19.670 20.445 ( -22.927 0.000 0.000) 22.927 24.576 ( 42.851 0.000 0.000) 42.851 24.963 ( 31.292 0.000 0.000) 31.292 25.306 ( -30.870 0.000 0.000) 30.870 25.549 ( -28.058 0.000 0.000) 28.058 ======================= Grid point 9 (6/90) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.362 ( 0.000 15.939 0.000) 15.939 0.420 ( 0.000 19.514 0.000) 19.514 0.825 ( 0.000 12.289 0.000) 12.289 1.034 ( 0.000 19.240 0.000) 19.240 1.127 ( 0.000 -10.722 0.000) 10.722 1.957 ( 0.000 11.929 0.000) 11.929 1.966 ( 0.000 2.197 0.000) 2.197 2.018 ( 0.000 -10.023 0.000) 10.023 2.192 ( 0.000 -9.413 0.000) 9.413 2.584 ( 0.000 4.247 0.000) 4.247 2.724 ( 0.000 -16.380 0.000) 16.380 2.725 ( 0.000 -2.016 0.000) 2.016 3.084 ( 0.000 1.963 0.000) 1.963 3.088 ( 0.000 18.080 0.000) 18.080 3.169 ( 0.000 -1.294 0.000) 1.294 3.997 ( 0.000 -20.480 0.000) 20.480 4.103 ( 0.000 8.058 0.000) 8.058 4.270 ( 0.000 -3.266 0.000) 3.266 4.383 ( 0.000 19.707 0.000) 19.707 4.438 ( 0.000 1.001 0.000) 1.001 4.882 ( 0.000 10.663 0.000) 10.663 4.907 ( 0.000 12.816 0.000) 12.816 5.075 ( 0.000 -10.725 0.000) 10.725 5.384 ( 0.000 -15.437 0.000) 15.437 5.414 ( 0.000 -9.896 0.000) 9.896 5.496 ( 0.000 -6.164 0.000) 6.164 5.853 ( 0.000 6.752 0.000) 6.752 6.000 ( 0.000 -0.573 0.000) 0.573 6.150 ( 0.000 9.957 0.000) 9.957 6.404 ( 0.000 -3.671 0.000) 3.671 6.679 ( 0.000 -1.867 0.000) 1.867 6.783 ( 0.000 0.707 0.000) 0.707 6.787 ( 0.000 -0.000 0.000) 0.000 6.798 ( 0.000 -9.247 0.000) 9.247 7.066 ( 0.000 7.205 0.000) 7.205 7.405 ( 0.000 -5.523 0.000) 5.523 8.378 ( 0.000 12.023 0.000) 12.023 8.758 ( 0.000 -2.973 0.000) 2.973 9.224 ( 0.000 -2.900 0.000) 2.900 9.286 ( 0.000 -5.029 0.000) 5.029 9.630 ( 0.000 8.766 0.000) 8.766 9.929 ( 0.000 7.858 0.000) 7.858 10.202 ( 0.000 -13.914 0.000) 13.914 10.252 ( 0.000 -4.346 0.000) 4.346 11.439 ( 0.000 11.782 0.000) 11.782 11.492 ( 0.000 0.473 0.000) 0.473 11.493 ( 0.000 0.414 0.000) 0.414 11.918 ( 0.000 -8.189 0.000) 8.189 12.258 ( 0.000 3.298 0.000) 3.298 12.387 ( 0.000 -2.532 0.000) 2.532 12.726 ( 0.000 -0.577 0.000) 0.577 12.776 ( 0.000 -2.210 0.000) 2.210 12.801 ( 0.000 5.443 0.000) 5.443 13.055 ( 0.000 -4.269 0.000) 4.269 13.878 ( 0.000 20.567 0.000) 20.567 14.959 ( 0.000 -19.617 0.000) 19.617 15.710 ( 0.000 5.223 0.000) 5.223 16.076 ( 0.000 -9.141 0.000) 9.141 17.337 ( 0.000 1.315 0.000) 1.315 17.410 ( 0.000 -1.396 0.000) 1.396 18.257 ( 0.000 7.434 0.000) 7.434 18.661 ( 0.000 -7.966 0.000) 7.966 18.900 ( 0.000 6.928 0.000) 6.928 19.118 ( 0.000 -1.376 0.000) 1.376 19.763 ( 0.000 3.713 0.000) 3.713 19.972 ( 0.000 -4.051 0.000) 4.051 21.681 ( 0.000 1.485 0.000) 1.485 21.791 ( 0.000 -3.008 0.000) 3.008 22.251 ( 0.000 4.875 0.000) 4.875 22.451 ( 0.000 -2.956 0.000) 2.956 26.447 ( 0.000 0.475 0.000) 0.475 26.472 ( 0.000 -0.444 0.000) 0.444 ======================= Grid point 10 (7/90) ======================= q-point: ( 0.11 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.653 ( 20.015 15.154 0.000) 25.105 0.795 ( 20.055 15.050 0.000) 25.074 1.096 ( 27.080 12.500 0.000) 29.826 1.232 ( 18.462 11.332 0.000) 21.662 1.242 ( 10.340 -8.148 0.000) 13.165 1.979 ( 1.490 0.028 0.000) 1.490 2.003 ( 9.983 -0.161 0.000) 9.984 2.167 ( -1.743 -10.867 0.000) 11.006 2.331 ( 25.464 -2.046 0.000) 25.546 2.649 ( 6.402 6.315 0.000) 8.992 2.747 ( 2.340 -13.297 0.000) 13.501 2.811 ( 7.542 -1.607 0.000) 7.712 3.109 ( 1.767 18.021 0.000) 18.107 3.208 ( 8.204 2.167 0.000) 8.485 3.267 ( 11.979 0.200 0.000) 11.981 3.889 ( -12.321 19.080 0.000) 22.712 4.014 ( 1.513 -19.839 0.000) 19.897 4.209 ( -15.154 10.194 0.000) 18.264 4.267 ( -2.767 -7.633 0.000) 8.119 4.473 ( 9.066 17.619 0.000) 19.815 4.638 ( -15.906 1.416 0.000) 15.969 4.924 ( 1.383 11.179 0.000) 11.264 4.941 ( 5.508 10.422 0.000) 11.788 5.381 ( -3.154 -9.378 0.000) 9.894 5.498 ( -0.565 -7.718 0.000) 7.738 5.538 ( 9.746 -13.762 0.000) 16.863 5.807 ( -4.552 5.875 0.000) 7.432 5.915 ( -6.316 0.058 0.000) 6.316 6.060 ( 1.439 13.686 0.000) 13.761 6.428 ( 0.912 -3.408 0.000) 3.528 6.690 ( 1.008 -0.964 0.000) 1.395 6.841 ( 2.669 -7.673 0.000) 8.124 7.008 ( -0.314 4.966 0.000) 4.976 7.208 ( 27.584 -1.956 0.000) 27.653 7.357 ( 20.323 -4.207 0.000) 20.754 7.528 ( 28.500 -9.334 0.000) 29.989 8.298 ( -8.133 10.364 0.000) 13.174 8.611 ( -13.574 -2.313 0.000) 13.770 9.203 ( -22.214 27.116 0.000) 35.053 9.288 ( 5.307 -2.921 0.000) 6.058 9.364 ( 7.867 -5.401 0.000) 9.543 9.844 ( -8.056 9.087 0.000) 12.144 10.074 ( -14.706 -15.426 0.000) 21.313 10.215 ( -3.819 -5.225 0.000) 6.471 11.349 ( -15.301 14.612 0.000) 21.157 11.406 ( -7.594 1.419 0.000) 7.726 11.457 ( -5.007 -0.435 0.000) 5.026 11.539 ( -7.644 5.106 0.000) 9.192 12.111 ( 4.105 3.419 0.000) 5.342 12.567 ( -3.773 -12.335 0.000) 12.899 12.692 ( -3.537 -0.606 0.000) 3.589 12.733 ( -3.707 -0.922 0.000) 3.820 13.153 ( 13.701 2.944 0.000) 14.013 13.671 ( 41.955 -29.018 0.000) 51.012 13.903 ( 2.210 19.256 0.000) 19.383 14.947 ( -1.188 -19.440 0.000) 19.477 15.773 ( 6.032 6.810 0.000) 9.097 16.201 ( 12.440 -10.257 0.000) 16.123 16.870 ( -26.921 27.915 0.000) 38.781 17.353 ( -4.989 -3.779 0.000) 6.259 18.213 ( -4.121 7.010 0.000) 8.132 18.575 ( -4.822 -6.194 0.000) 7.850 19.069 ( 13.299 3.873 0.000) 13.852 19.194 ( 7.298 0.009 0.000) 7.298 19.789 ( -1.459 0.022 0.000) 1.459 19.933 ( -4.085 -3.622 0.000) 5.459 21.578 ( -11.950 7.834 0.000) 14.289 21.930 ( -13.777 -7.310 0.000) 15.596 22.280 ( 14.201 6.116 0.000) 15.462 22.699 ( 34.279 -15.651 0.000) 37.682 26.362 ( -7.330 1.680 0.000) 7.520 26.452 ( -3.567 -1.641 0.000) 3.926 ======================= Grid point 11 (8/90) ======================= q-point: ( 0.22 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( 11.194 21.109 0.000) 23.893 1.083 ( 21.317 11.869 0.000) 24.398 1.465 ( 11.202 -1.068 0.000) 11.253 1.539 ( 15.711 -1.871 0.000) 15.822 1.702 ( 22.925 9.633 0.000) 24.866 2.028 ( 3.513 -4.445 0.000) 5.666 2.148 ( 0.050 -14.046 0.000) 14.046 2.311 ( 17.278 -10.578 0.000) 20.258 2.825 ( 10.994 8.530 0.000) 13.915 2.828 ( 7.541 1.328 0.000) 7.657 2.928 ( 32.833 -2.204 0.000) 32.907 2.990 ( 10.678 -0.592 0.000) 10.694 3.139 ( 0.959 18.473 0.000) 18.498 3.367 ( 9.376 4.201 0.000) 10.275 3.551 ( 13.002 -3.539 0.000) 13.475 3.916 ( 6.743 5.493 0.000) 8.698 4.014 ( 0.624 12.155 0.000) 12.171 4.043 ( 1.041 -18.639 0.000) 18.668 4.208 ( -1.160 -8.621 0.000) 8.699 4.418 ( -3.445 -2.880 0.000) 4.490 4.722 ( 14.975 11.797 0.000) 19.063 5.072 ( 7.265 8.995 0.000) 11.562 5.111 ( 14.446 12.796 0.000) 19.298 5.275 ( -8.644 -8.228 0.000) 11.934 5.437 ( -5.480 -3.246 0.000) 6.369 5.712 ( 7.952 -6.450 0.000) 10.239 5.713 ( -4.449 0.233 0.000) 4.455 5.833 ( -0.509 0.117 0.000) 0.523 6.152 ( 7.520 4.453 0.000) 8.740 6.447 ( 0.986 -3.737 0.000) 3.865 6.701 ( -0.501 0.261 0.000) 0.565 6.839 ( -3.779 -3.802 0.000) 5.361 6.948 ( -4.092 7.816 0.000) 8.822 7.306 ( -2.689 -5.952 0.000) 6.531 8.066 ( -15.087 6.623 0.000) 16.477 8.156 ( 47.845 0.976 0.000) 47.855 8.235 ( 36.999 -3.710 0.000) 37.185 8.269 ( -20.604 -1.485 0.000) 20.658 8.970 ( -3.433 17.349 0.000) 17.686 9.386 ( 2.412 -0.805 0.000) 2.543 9.566 ( 8.724 -3.387 0.000) 9.358 9.687 ( -1.576 6.620 0.000) 6.805 9.725 ( -17.839 -12.678 0.000) 21.886 10.108 ( -6.571 -6.590 0.000) 9.306 11.023 ( -16.392 13.568 0.000) 21.279 11.192 ( -14.263 2.524 0.000) 14.485 11.293 ( -11.775 -1.320 0.000) 11.849 11.433 ( -7.522 -3.327 0.000) 8.225 12.194 ( 3.480 2.607 0.000) 4.349 12.519 ( -0.444 -10.068 0.000) 10.077 12.587 ( -6.588 1.349 0.000) 6.724 12.662 ( -3.306 -0.595 0.000) 3.359 13.411 ( 12.078 12.638 0.000) 17.481 13.946 ( 1.588 16.947 0.000) 17.021 14.238 ( 18.844 -24.819 0.000) 31.162 14.913 ( -2.326 -18.924 0.000) 19.067 15.926 ( 8.942 10.864 0.000) 14.071 16.519 ( -10.439 26.060 0.000) 28.073 16.545 ( 21.810 -14.068 0.000) 25.953 17.258 ( -3.752 -8.133 0.000) 8.957 18.117 ( -4.940 7.965 0.000) 9.372 18.537 ( 1.475 -8.319 0.000) 8.448 19.360 ( 15.501 2.683 0.000) 15.732 19.388 ( 12.429 2.382 0.000) 12.655 19.668 ( -11.043 1.409 0.000) 11.133 19.805 ( -9.078 -3.538 0.000) 9.743 21.171 ( -24.578 6.404 0.000) 25.399 21.473 ( -28.307 -4.843 0.000) 28.718 22.870 ( 40.891 8.414 0.000) 41.748 23.456 ( 39.134 -15.945 0.000) 42.258 26.163 ( -13.122 2.751 0.000) 13.407 26.311 ( -11.188 -2.708 0.000) 11.511 ======================= Grid point 12 (9/90) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( 8.621 17.775 0.000) 19.756 1.394 ( 8.668 11.055 0.000) 14.048 1.693 ( 12.683 5.146 0.000) 13.687 1.786 ( 9.895 -2.898 0.000) 10.310 2.011 ( 9.544 3.715 0.000) 10.241 2.094 ( 2.073 -7.723 0.000) 7.996 2.184 ( 4.236 -16.589 0.000) 17.121 2.479 ( 0.323 -15.690 0.000) 15.693 3.039 ( 8.750 6.674 0.000) 11.005 3.043 ( 8.926 10.909 0.000) 14.096 3.134 ( 2.107 21.361 0.000) 21.465 3.257 ( 14.183 -1.231 0.000) 14.236 3.511 ( 15.221 -5.833 0.000) 16.300 3.583 ( 18.326 2.759 0.000) 18.533 3.711 ( 4.764 0.944 0.000) 4.856 3.870 ( -0.998 3.082 0.000) 3.240 4.042 ( -1.328 -16.601 0.000) 16.654 4.238 ( 15.192 -8.039 0.000) 17.188 4.398 ( 18.339 1.061 0.000) 18.370 4.574 ( 17.082 -1.365 0.000) 17.137 4.942 ( 4.291 4.639 0.000) 6.319 5.031 ( -15.430 -0.668 0.000) 15.444 5.229 ( 5.974 0.936 0.000) 6.047 5.318 ( -6.542 -3.197 0.000) 7.281 5.446 ( 19.143 11.617 0.000) 22.392 5.636 ( 0.492 5.112 0.000) 5.135 5.844 ( 5.636 2.731 0.000) 6.263 5.907 ( 6.225 -2.877 0.000) 6.857 6.339 ( 9.133 -5.798 0.000) 10.818 6.468 ( 1.698 -3.665 0.000) 4.039 6.631 ( -9.258 0.949 0.000) 9.306 6.709 ( -6.441 0.209 0.000) 6.444 6.870 ( -2.560 10.101 0.000) 10.421 7.236 ( -3.464 -4.517 0.000) 5.692 7.728 ( -18.443 2.505 0.000) 18.612 7.826 ( -23.813 -0.818 0.000) 23.827 8.905 ( 15.262 2.641 0.000) 15.488 8.968 ( 27.849 1.207 0.000) 27.875 9.108 ( 35.742 3.192 0.000) 35.884 9.267 ( -11.175 7.878 0.000) 13.673 9.477 ( -4.504 -8.213 0.000) 9.367 9.698 ( 10.531 5.500 0.000) 11.881 9.807 ( -2.235 -12.302 0.000) 12.503 10.080 ( 10.766 -4.504 0.000) 11.670 10.695 ( -17.126 12.170 0.000) 21.010 10.847 ( -20.647 3.462 0.000) 20.935 10.992 ( -18.749 -2.192 0.000) 18.877 11.219 ( -14.022 -7.676 0.000) 15.985 12.244 ( 1.957 4.076 0.000) 4.522 12.457 ( -6.244 3.873 0.000) 7.348 12.539 ( 1.756 -7.676 0.000) 7.875 12.608 ( -2.015 -1.677 0.000) 2.621 13.620 ( 9.269 16.166 0.000) 18.635 13.951 ( -1.267 15.515 0.000) 15.567 14.504 ( 9.665 -20.019 0.000) 22.230 14.854 ( -3.757 -18.261 0.000) 18.644 16.099 ( 8.091 15.546 0.000) 17.526 16.387 ( -4.305 21.544 0.000) 21.970 17.003 ( 22.317 -22.189 0.000) 31.470 17.230 ( 1.008 -12.401 0.000) 12.442 18.061 ( 1.271 13.645 0.000) 13.704 18.645 ( 9.642 -11.199 0.000) 14.778 19.342 ( -22.268 3.499 0.000) 22.541 19.573 ( -14.507 -5.401 0.000) 15.480 19.642 ( 14.594 4.233 0.000) 15.195 19.695 ( 17.205 1.678 0.000) 17.287 20.702 ( -22.453 4.354 0.000) 22.872 20.913 ( -27.164 -3.417 0.000) 27.378 23.750 ( 46.469 7.296 0.000) 47.039 24.206 ( 36.994 -10.098 0.000) 38.347 25.836 ( -20.477 3.037 0.000) 20.701 26.000 ( -20.521 -3.039 0.000) 20.745 ======================= Grid point 13 (10/90) ======================= q-point: ( 0.44 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( 5.123 14.996 0.000) 15.847 1.458 ( -0.657 12.845 0.000) 12.862 1.908 ( 7.018 4.868 0.000) 8.541 1.928 ( 4.135 -1.743 0.000) 4.487 2.110 ( 0.308 -7.861 0.000) 7.867 2.111 ( 1.374 -0.984 0.000) 1.690 2.298 ( 6.504 -16.875 0.000) 18.085 2.418 ( -5.276 -14.918 0.000) 15.823 3.081 ( -0.043 16.243 0.000) 16.243 3.097 ( -1.040 13.921 0.000) 13.959 3.301 ( 11.380 11.517 0.000) 16.190 3.517 ( 10.363 -4.958 0.000) 11.488 3.520 ( -9.864 5.194 0.000) 11.148 3.625 ( -0.866 -5.293 0.000) 5.363 3.918 ( 3.949 -6.605 0.000) 7.695 3.992 ( -3.433 -12.978 0.000) 13.425 4.189 ( 27.703 5.050 0.000) 28.160 4.645 ( 22.220 -12.677 0.000) 25.582 4.670 ( -21.171 4.089 0.000) 21.563 4.741 ( 15.649 4.900 0.000) 16.398 4.917 ( -6.195 -0.573 0.000) 6.221 4.924 ( 16.011 -1.254 0.000) 16.060 5.077 ( -16.312 -2.416 0.000) 16.490 5.182 ( -10.261 -4.858 0.000) 11.353 5.827 ( 16.992 6.662 0.000) 18.251 5.854 ( 14.635 6.240 0.000) 15.910 5.956 ( 6.561 6.357 0.000) 9.136 6.005 ( 2.892 -1.450 0.000) 3.235 6.306 ( -9.833 0.961 0.000) 9.879 6.347 ( -16.230 8.457 0.000) 18.302 6.569 ( 4.334 -6.783 0.000) 8.049 6.625 ( -2.968 -3.561 0.000) 4.635 6.966 ( 14.287 6.027 0.000) 15.506 7.220 ( 3.331 -3.666 0.000) 4.954 7.352 ( -22.343 0.406 0.000) 22.347 7.399 ( -14.866 -0.958 0.000) 14.897 8.963 ( 2.103 6.658 0.000) 6.982 9.064 ( -8.334 8.861 0.000) 12.164 9.412 ( 11.567 -10.926 0.000) 15.912 9.631 ( -11.110 -13.359 0.000) 17.375 9.724 ( 28.079 4.384 0.000) 28.419 9.850 ( 33.371 -1.425 0.000) 33.402 9.953 ( 12.547 8.314 0.000) 15.051 10.271 ( -10.768 1.505 0.000) 10.873 10.363 ( -15.262 10.496 0.000) 18.523 10.450 ( -15.838 -0.721 0.000) 15.854 10.636 ( -4.553 -5.893 0.000) 7.447 10.900 ( -17.770 -9.248 0.000) 20.032 12.285 ( 2.493 5.453 0.000) 5.996 12.351 ( -4.388 5.417 0.000) 6.971 12.568 ( 1.017 -5.564 0.000) 5.657 12.583 ( -0.777 -3.450 0.000) 3.536 13.779 ( 7.024 16.079 0.000) 17.547 13.894 ( -4.497 15.374 0.000) 16.018 14.655 ( 6.341 -18.228 0.000) 19.299 14.766 ( -5.075 -17.869 0.000) 18.576 16.232 ( 5.374 18.683 0.000) 19.441 16.316 ( -3.526 19.975 0.000) 20.284 17.281 ( 3.257 -17.983 0.000) 18.275 17.290 ( 5.129 -25.751 0.000) 26.257 18.278 ( 21.904 15.733 0.000) 26.969 18.818 ( -29.561 7.792 0.000) 30.571 18.905 ( 16.161 -11.721 0.000) 19.964 19.248 ( -17.897 -9.035 0.000) 20.048 19.948 ( 16.565 4.774 0.000) 17.240 20.045 ( 18.492 0.500 0.000) 18.499 20.296 ( -19.002 4.313 0.000) 19.486 20.434 ( -21.645 -1.216 0.000) 21.679 24.627 ( 41.475 4.656 0.000) 41.736 24.900 ( 33.423 -5.507 0.000) 33.874 25.340 ( -30.567 3.081 0.000) 30.722 25.512 ( -28.599 -3.285 0.000) 28.787 ======================= Grid point 18 (11/90) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.666 ( 0.000 -12.503 0.000) 12.503 0.666 ( 0.000 12.503 0.000) 12.503 0.818 ( 0.000 -17.393 0.000) 17.393 0.818 ( 0.000 17.393 0.000) 17.393 1.667 ( 0.000 -24.317 0.000) 24.317 1.667 ( 0.000 24.317 0.000) 24.317 2.040 ( 0.000 -5.036 0.000) 5.036 2.040 ( 0.000 5.036 0.000) 5.036 2.304 ( 0.000 -20.127 0.000) 20.127 2.304 ( 0.000 20.127 0.000) 20.127 2.665 ( 0.000 -3.408 0.000) 3.408 2.665 ( 0.000 3.408 0.000) 3.408 3.131 ( 0.000 -2.187 0.000) 2.187 3.131 ( 0.000 2.187 0.000) 2.187 3.530 ( 0.000 -22.314 0.000) 22.314 3.530 ( 0.000 22.314 0.000) 22.314 4.199 ( 0.000 -2.941 0.000) 2.941 4.199 ( 0.000 2.941 0.000) 2.941 4.703 ( 0.000 -19.683 0.000) 19.683 4.703 ( 0.000 19.683 0.000) 19.683 4.840 ( 0.000 -17.909 0.000) 17.909 4.840 ( 0.000 17.909 0.000) 17.909 5.148 ( 0.000 -9.752 0.000) 9.752 5.148 ( 0.000 9.752 0.000) 9.752 5.339 ( 0.000 -6.206 0.000) 6.206 5.339 ( 0.000 6.206 0.000) 6.206 5.964 ( 0.000 -3.264 0.000) 3.264 5.964 ( 0.000 3.264 0.000) 3.264 6.307 ( 0.000 -5.508 0.000) 5.508 6.307 ( 0.000 5.508 0.000) 5.508 6.666 ( 0.000 -2.041 0.000) 2.041 6.666 ( 0.000 2.041 0.000) 2.041 6.791 ( 0.000 -0.068 0.000) 0.068 6.791 ( 0.000 0.068 0.000) 0.068 7.246 ( 0.000 -8.785 0.000) 8.785 7.246 ( 0.000 8.785 0.000) 8.785 8.628 ( 0.000 -9.663 0.000) 9.663 8.628 ( 0.000 9.663 0.000) 9.663 9.202 ( 0.000 -1.642 0.000) 1.642 9.202 ( 0.000 1.642 0.000) 1.642 9.885 ( 0.000 -14.427 0.000) 14.427 9.885 ( 0.000 14.427 0.000) 14.427 10.113 ( 0.000 -8.366 0.000) 8.366 10.113 ( 0.000 8.366 0.000) 8.366 11.499 ( 0.000 -0.019 0.000) 0.019 11.499 ( 0.000 0.019 0.000) 0.019 11.701 ( 0.000 -11.811 0.000) 11.811 11.701 ( 0.000 11.811 0.000) 11.811 12.327 ( 0.000 -3.058 0.000) 3.058 12.327 ( 0.000 3.058 0.000) 3.058 12.733 ( 0.000 -1.384 0.000) 1.384 12.733 ( 0.000 1.384 0.000) 1.384 12.935 ( 0.000 -6.530 0.000) 6.530 12.935 ( 0.000 6.530 0.000) 6.530 14.424 ( 0.000 -28.131 0.000) 28.131 14.424 ( 0.000 28.131 0.000) 28.131 15.868 ( 0.000 -9.265 0.000) 9.265 15.868 ( 0.000 9.265 0.000) 9.265 17.373 ( 0.000 -1.913 0.000) 1.913 17.373 ( 0.000 1.913 0.000) 1.913 18.456 ( 0.000 -10.408 0.000) 10.408 18.456 ( 0.000 10.408 0.000) 10.408 19.045 ( 0.000 -5.614 0.000) 5.614 19.045 ( 0.000 5.614 0.000) 5.614 19.865 ( 0.000 -5.463 0.000) 5.463 19.865 ( 0.000 5.463 0.000) 5.463 21.727 ( 0.000 -2.736 0.000) 2.736 21.727 ( 0.000 2.736 0.000) 2.736 22.363 ( 0.000 -5.074 0.000) 5.074 22.363 ( 0.000 5.074 0.000) 5.074 26.459 ( 0.000 -0.650 0.000) 0.650 26.459 ( 0.000 0.650 0.000) 0.650 ======================= Grid point 20 (12/90) ======================= q-point: ( 0.11 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( 15.705 -14.921 0.000) 21.663 0.989 ( 15.705 14.921 0.000) 21.663 1.014 ( 24.765 -8.495 0.000) 26.182 1.014 ( 24.765 8.495 0.000) 26.182 1.781 ( 10.663 -22.556 0.000) 24.950 1.781 ( 10.663 22.556 0.000) 24.950 2.013 ( -2.235 -3.852 0.000) 4.453 2.013 ( -2.235 3.852 0.000) 4.453 2.436 ( 14.403 -12.364 0.000) 18.982 2.436 ( 14.403 12.364 0.000) 18.982 2.753 ( 8.080 -3.777 0.000) 8.919 2.753 ( 8.080 3.777 0.000) 8.919 3.245 ( 10.258 -1.632 0.000) 10.387 3.245 ( 10.258 1.632 0.000) 10.387 3.552 ( 1.990 -22.344 0.000) 22.432 3.552 ( 1.990 22.344 0.000) 22.432 4.120 ( -6.551 -6.645 0.000) 9.331 4.120 ( -6.551 6.645 0.000) 9.331 4.468 ( -16.032 -13.117 0.000) 20.714 4.468 ( -16.032 13.117 0.000) 20.714 4.896 ( 5.336 -17.650 0.000) 18.439 4.896 ( 5.336 17.650 0.000) 18.439 5.227 ( 7.857 -14.787 0.000) 16.745 5.227 ( 7.857 14.787 0.000) 16.745 5.323 ( -1.430 -7.338 0.000) 7.477 5.323 ( -1.430 7.338 0.000) 7.477 5.894 ( -6.063 -2.388 0.000) 6.517 5.894 ( -6.063 2.388 0.000) 6.517 6.305 ( 0.344 -8.485 0.000) 8.492 6.305 ( 0.344 8.485 0.000) 8.492 6.711 ( 3.404 -3.655 0.000) 4.994 6.711 ( 3.404 3.655 0.000) 4.994 7.119 ( 10.220 -5.130 0.000) 11.435 7.119 ( 10.220 5.130 0.000) 11.435 7.384 ( 28.446 -4.995 0.000) 28.881 7.384 ( 28.446 4.995 0.000) 28.881 8.508 ( -11.567 -7.855 0.000) 13.982 8.508 ( -11.567 7.855 0.000) 13.982 9.272 ( 6.584 -2.054 0.000) 6.897 9.272 ( 6.584 2.054 0.000) 6.897 9.685 ( -16.641 -20.183 0.000) 26.158 9.685 ( -16.641 20.183 0.000) 26.158 10.053 ( -5.856 -9.546 0.000) 11.199 10.053 ( -5.856 9.546 0.000) 11.199 11.438 ( -6.245 -1.328 0.000) 6.385 11.438 ( -6.245 1.328 0.000) 6.385 11.558 ( -11.902 -4.477 0.000) 12.716 11.558 ( -11.902 4.477 0.000) 12.716 12.280 ( -0.737 -12.181 0.000) 12.203 12.280 ( -0.737 12.181 0.000) 12.203 12.702 ( -2.940 -1.391 0.000) 3.252 12.702 ( -2.940 1.391 0.000) 3.252 13.299 ( 26.425 -10.681 0.000) 28.502 13.299 ( 26.425 10.681 0.000) 28.502 14.425 ( 0.029 -27.214 0.000) 27.214 14.425 ( 0.029 27.214 0.000) 27.214 15.964 ( 9.399 -10.764 0.000) 14.290 15.964 ( 9.399 10.764 0.000) 14.290 17.221 ( -12.521 -9.368 0.000) 15.637 17.221 ( -12.521 9.368 0.000) 15.637 18.398 ( -4.658 -9.495 0.000) 10.576 18.398 ( -4.658 9.495 0.000) 10.576 19.158 ( 10.313 -3.455 0.000) 10.876 19.158 ( 10.313 3.455 0.000) 10.876 19.843 ( -2.927 -4.203 0.000) 5.122 19.843 ( -2.927 4.203 0.000) 5.122 21.750 ( -9.647 -8.535 0.000) 12.881 21.750 ( -9.647 8.535 0.000) 12.881 22.451 ( 19.810 -9.309 0.000) 21.888 22.451 ( 19.810 9.309 0.000) 21.888 26.407 ( -5.444 -2.348 0.000) 5.929 26.407 ( -5.444 2.348 0.000) 5.929 ======================= Grid point 22 (13/90) ======================= q-point: ( 0.22 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( 18.976 -10.605 0.000) 21.738 1.349 ( 18.976 10.605 0.000) 21.738 1.405 ( 14.426 -10.476 0.000) 17.829 1.405 ( 14.426 10.476 0.000) 17.829 1.974 ( -1.419 -1.504 0.000) 2.068 1.974 ( -1.419 1.504 0.000) 2.068 2.019 ( 11.397 -17.006 0.000) 20.472 2.019 ( 11.397 17.006 0.000) 20.472 2.870 ( 27.459 -2.704 0.000) 27.592 2.870 ( 27.459 2.704 0.000) 27.592 2.949 ( 11.308 -3.566 0.000) 11.857 2.949 ( 11.308 3.566 0.000) 11.857 3.449 ( 8.864 -4.942 0.000) 10.149 3.449 ( 8.864 4.942 0.000) 10.149 3.593 ( 1.736 -22.425 0.000) 22.492 3.593 ( 1.736 22.425 0.000) 22.492 4.042 ( -1.461 -6.715 0.000) 6.872 4.042 ( -1.461 6.715 0.000) 6.872 4.271 ( -0.440 -10.217 0.000) 10.226 4.271 ( -0.440 10.217 0.000) 10.226 5.010 ( 4.484 -13.392 0.000) 14.122 5.010 ( 4.484 13.392 0.000) 14.122 5.299 ( -0.575 -8.567 0.000) 8.586 5.299 ( -0.575 8.567 0.000) 8.586 5.440 ( 13.333 -16.137 0.000) 20.933 5.440 ( 13.333 16.137 0.000) 20.933 5.775 ( -4.695 -4.313 0.000) 6.376 5.775 ( -4.695 4.313 0.000) 6.376 6.321 ( 1.347 -8.104 0.000) 8.215 6.321 ( 1.347 8.104 0.000) 8.215 6.749 ( -0.394 -3.961 0.000) 3.981 6.749 ( -0.394 3.961 0.000) 3.981 7.137 ( -2.119 -9.225 0.000) 9.465 7.137 ( -2.119 9.225 0.000) 9.465 8.180 ( 43.487 -1.545 0.000) 43.515 8.180 ( 43.487 1.545 0.000) 43.515 8.202 ( -18.988 -5.070 0.000) 19.653 8.202 ( -18.988 5.070 0.000) 19.653 9.374 ( -12.725 -19.072 0.000) 22.927 9.374 ( -12.725 19.072 0.000) 22.927 9.436 ( 8.992 -5.315 0.000) 10.445 9.436 ( 8.992 5.315 0.000) 10.445 9.909 ( -7.289 -11.235 0.000) 13.393 9.909 ( -7.289 11.235 0.000) 13.393 11.250 ( -12.954 -2.596 0.000) 13.212 11.250 ( -12.954 2.596 0.000) 13.212 11.296 ( -14.523 -10.120 0.000) 17.701 11.296 ( -14.523 10.120 0.000) 17.701 12.308 ( 2.817 -8.314 0.000) 8.778 12.308 ( 2.817 8.314 0.000) 8.778 12.628 ( -4.252 -2.214 0.000) 4.794 12.628 ( -4.252 2.214 0.000) 4.794 13.757 ( 18.784 -19.607 0.000) 27.153 13.757 ( 18.784 19.607 0.000) 27.153 14.420 ( -0.751 -25.247 0.000) 25.259 14.420 ( -0.751 25.247 0.000) 25.259 16.213 ( 15.068 -15.500 0.000) 21.617 16.213 ( 15.068 15.500 0.000) 21.617 16.991 ( -9.419 -17.248 0.000) 19.652 16.991 ( -9.419 17.248 0.000) 19.652 18.324 ( -1.821 -10.698 0.000) 10.852 18.324 ( -1.821 10.698 0.000) 10.852 19.407 ( 14.360 -0.945 0.000) 14.391 19.407 ( 14.360 0.945 0.000) 14.391 19.723 ( -9.781 -3.615 0.000) 10.428 19.723 ( -9.781 3.615 0.000) 10.428 21.332 ( -26.966 -7.864 0.000) 28.089 21.332 ( -26.966 7.864 0.000) 28.089 23.117 ( 41.559 -14.428 0.000) 43.992 23.117 ( 41.559 14.428 0.000) 43.992 26.237 ( -12.158 -3.858 0.000) 12.755 26.237 ( -12.158 3.858 0.000) 12.755 ======================= Grid point 24 (14/90) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.621 ( 8.399 -13.211 0.000) 15.655 1.621 ( 8.399 13.211 0.000) 15.655 1.674 ( 12.746 -12.040 0.000) 17.533 1.674 ( 12.746 12.040 0.000) 17.533 1.967 ( 1.218 -4.319 0.000) 4.488 1.967 ( 1.218 4.319 0.000) 4.488 2.171 ( 3.638 -11.697 0.000) 12.249 2.171 ( 3.638 11.697 0.000) 12.249 3.178 ( 11.311 -5.364 0.000) 12.519 3.178 ( 11.311 5.364 0.000) 12.519 3.305 ( 11.089 -12.361 0.000) 16.606 3.305 ( 11.089 12.361 0.000) 16.606 3.615 ( 0.746 -22.147 0.000) 22.159 3.615 ( 0.746 22.147 0.000) 22.159 3.667 ( 13.864 -4.268 0.000) 14.506 3.667 ( 13.864 4.268 0.000) 14.506 4.009 ( 3.867 -9.830 0.000) 10.563 4.009 ( 3.867 9.830 0.000) 10.563 4.499 ( 18.586 -5.155 0.000) 19.288 4.499 ( 18.586 5.155 0.000) 19.288 5.009 ( -4.970 -1.597 0.000) 5.220 5.009 ( -4.970 1.597 0.000) 5.220 5.262 ( -5.220 -2.500 0.000) 5.788 5.262 ( -5.220 2.500 0.000) 5.788 5.726 ( 14.906 -12.369 0.000) 19.369 5.726 ( 14.906 12.369 0.000) 19.369 5.783 ( 6.585 -7.772 0.000) 10.187 5.783 ( 6.585 7.772 0.000) 10.187 6.359 ( 2.440 -5.551 0.000) 6.064 6.359 ( 2.440 5.551 0.000) 6.064 6.680 ( -6.559 -2.651 0.000) 7.075 6.680 ( -6.559 2.651 0.000) 7.075 7.084 ( -2.456 -9.310 0.000) 9.629 7.084 ( -2.456 9.310 0.000) 9.629 7.788 ( -22.229 -2.661 0.000) 22.388 7.788 ( -22.229 2.661 0.000) 22.388 8.958 ( 29.123 -1.931 0.000) 29.187 8.958 ( 29.123 1.931 0.000) 29.187 9.264 ( 7.461 -10.352 0.000) 12.761 9.264 ( 7.461 10.352 0.000) 12.761 9.497 ( -5.627 -13.122 0.000) 14.277 9.497 ( -5.627 13.122 0.000) 14.277 9.906 ( 9.988 -10.204 0.000) 14.279 9.906 ( 9.988 10.204 0.000) 14.279 10.928 ( -19.812 -3.689 0.000) 20.152 10.928 ( -19.812 3.689 0.000) 20.152 10.986 ( -16.926 -13.513 0.000) 21.659 10.986 ( -16.926 13.513 0.000) 21.659 12.369 ( 3.140 -7.405 0.000) 8.044 12.369 ( 3.140 7.405 0.000) 8.044 12.546 ( -3.877 -3.965 0.000) 5.546 12.546 ( -3.877 3.965 0.000) 5.546 14.040 ( 10.729 -22.015 0.000) 24.490 14.040 ( 10.729 22.015 0.000) 24.490 14.388 ( -2.552 -23.473 0.000) 23.612 14.388 ( -2.552 23.473 0.000) 23.612 16.510 ( 13.928 -22.321 0.000) 26.310 16.510 ( 13.928 22.321 0.000) 26.310 16.864 ( -3.912 -21.115 0.000) 21.474 16.864 ( -3.912 21.115 0.000) 21.474 18.364 ( 6.748 -14.311 0.000) 15.822 18.364 ( 6.748 14.311 0.000) 15.822 19.445 ( -18.483 -5.915 0.000) 19.406 19.445 ( -18.483 5.915 0.000) 19.406 19.707 ( 15.940 -1.213 0.000) 15.986 19.707 ( 15.940 1.213 0.000) 15.986 20.814 ( -24.447 -5.524 0.000) 25.064 20.814 ( -24.447 5.524 0.000) 25.064 23.960 ( 42.744 -11.704 0.000) 44.317 23.960 ( 42.744 11.704 0.000) 44.317 25.918 ( -20.533 -4.291 0.000) 20.977 25.918 ( -20.533 4.291 0.000) 20.977 ======================= Grid point 26 (15/90) ======================= q-point: ( 0.44 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.750 ( 4.765 -15.129 0.000) 15.861 1.750 ( 4.765 15.129 0.000) 15.861 1.799 ( 0.425 -17.630 0.000) 17.636 1.799 ( 0.425 17.630 0.000) 17.636 2.053 ( 6.879 -7.695 0.000) 10.322 2.053 ( 6.879 7.695 0.000) 10.322 2.167 ( -3.611 -7.070 0.000) 7.938 2.167 ( -3.611 7.070 0.000) 7.938 3.355 ( 5.604 -9.914 0.000) 11.388 3.355 ( 5.604 9.914 0.000) 11.388 3.393 ( 0.953 -12.745 0.000) 12.780 3.393 ( 0.953 12.745 0.000) 12.780 3.643 ( 2.861 -18.160 0.000) 18.384 3.643 ( 2.861 18.160 0.000) 18.384 3.723 ( -4.007 -9.933 0.000) 10.711 3.723 ( -4.007 9.933 0.000) 10.711 4.373 ( 25.035 -11.522 0.000) 27.559 4.373 ( 25.035 11.522 0.000) 27.559 4.800 ( -16.766 -7.578 0.000) 18.399 4.800 ( -16.766 7.578 0.000) 18.399 4.854 ( 15.792 -4.774 0.000) 16.498 4.854 ( 15.792 4.774 0.000) 16.498 5.102 ( -10.056 -3.318 0.000) 10.589 5.102 ( -10.056 3.318 0.000) 10.589 5.960 ( 8.132 -3.422 0.000) 8.823 5.960 ( 8.132 3.422 0.000) 8.823 5.973 ( 8.008 -4.991 0.000) 9.436 5.973 ( 8.008 4.991 0.000) 9.436 6.405 ( 2.470 -7.768 0.000) 8.151 6.405 ( 2.470 7.768 0.000) 8.151 6.517 ( -8.753 -6.677 0.000) 11.009 6.517 ( -8.753 6.677 0.000) 11.009 7.106 ( 6.781 -6.592 0.000) 9.457 7.106 ( 6.781 6.592 0.000) 9.457 7.371 ( -18.913 -1.408 0.000) 18.965 7.371 ( -18.913 1.408 0.000) 18.965 9.164 ( 5.883 -11.508 0.000) 12.925 9.164 ( 5.883 11.508 0.000) 12.925 9.321 ( -9.689 -14.434 0.000) 17.384 9.321 ( -9.689 14.434 0.000) 17.384 9.802 ( 32.213 -3.027 0.000) 32.355 9.802 ( 32.213 3.027 0.000) 32.355 10.166 ( 8.933 -9.873 0.000) 13.315 10.166 ( 8.933 9.873 0.000) 13.315 10.506 ( -17.942 -5.311 0.000) 18.712 10.506 ( -17.942 5.311 0.000) 18.712 10.640 ( -17.670 -14.048 0.000) 22.574 10.640 ( -17.670 14.048 0.000) 22.574 12.426 ( 2.677 -7.189 0.000) 7.671 12.426 ( 2.677 7.189 0.000) 7.671 12.480 ( -2.944 -5.918 0.000) 6.610 12.480 ( -2.944 5.918 0.000) 6.610 14.206 ( 6.773 -22.271 0.000) 23.278 14.206 ( 6.773 22.271 0.000) 23.278 14.318 ( -4.635 -22.495 0.000) 22.968 14.318 ( -4.635 22.495 0.000) 22.968 16.721 ( 7.170 -26.124 0.000) 27.090 16.721 ( 7.170 26.124 0.000) 27.090 16.809 ( -2.644 -24.456 0.000) 24.599 16.809 ( -2.644 24.456 0.000) 24.599 18.608 ( 17.889 -15.200 0.000) 23.474 18.608 ( 17.889 15.200 0.000) 23.474 19.025 ( -22.937 -10.929 0.000) 25.407 19.025 ( -22.937 10.929 0.000) 25.407 20.030 ( 17.046 -2.318 0.000) 17.203 20.030 ( 17.046 2.318 0.000) 17.203 20.385 ( -19.470 -3.486 0.000) 19.780 20.385 ( -19.470 3.486 0.000) 19.780 24.758 ( 37.818 -7.081 0.000) 38.475 24.758 ( 37.818 7.081 0.000) 38.475 25.425 ( -29.702 -4.482 0.000) 30.038 25.425 ( -29.702 4.482 0.000) 30.038 ======================= Grid point 45 (16/90) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.418 ( 0.000 0.000 18.826) 18.826 0.522 ( 0.000 0.000 27.433) 27.433 0.821 ( 0.000 0.000 38.269) 38.269 1.117 ( 0.000 0.000 18.664) 18.664 1.276 ( 0.000 0.000 3.422) 3.422 1.937 ( 0.000 0.000 -0.440) 0.440 1.944 ( 0.000 0.000 11.902) 11.902 2.139 ( 0.000 0.000 1.973) 1.973 2.347 ( 0.000 0.000 -10.449) 10.449 2.489 ( 0.000 0.000 7.943) 7.943 2.832 ( 0.000 0.000 5.781) 5.781 2.911 ( 0.000 0.000 5.092) 5.092 2.921 ( 0.000 0.000 4.250) 4.250 3.031 ( 0.000 0.000 7.340) 7.340 3.104 ( 0.000 0.000 5.871) 5.871 3.339 ( 0.000 0.000 -0.476) 0.476 3.509 ( 0.000 0.000 -25.048) 25.048 4.242 ( 0.000 0.000 -5.877) 5.877 4.279 ( 0.000 0.000 -1.099) 1.099 4.469 ( 0.000 0.000 -7.476) 7.476 4.535 ( 0.000 0.000 15.995) 15.995 4.846 ( 0.000 0.000 16.504) 16.504 5.077 ( 0.000 0.000 5.987) 5.987 5.579 ( 0.000 0.000 -6.088) 6.088 5.634 ( 0.000 0.000 6.819) 6.819 5.692 ( 0.000 0.000 0.748) 0.748 5.851 ( 0.000 0.000 6.369) 6.369 5.984 ( 0.000 0.000 -1.580) 1.580 6.435 ( 0.000 0.000 -1.445) 1.445 6.738 ( 0.000 0.000 -2.433) 2.433 6.749 ( 0.000 0.000 -2.697) 2.697 6.815 ( 0.000 0.000 10.329) 10.329 6.930 ( 0.000 0.000 0.101) 0.101 6.965 ( 0.000 0.000 -1.702) 1.702 7.204 ( 0.000 0.000 11.550) 11.550 7.417 ( 0.000 0.000 -4.507) 4.507 8.380 ( 0.000 0.000 -3.990) 3.990 8.625 ( 0.000 0.000 3.434) 3.434 8.659 ( 0.000 0.000 -12.332) 12.332 9.198 ( 0.000 0.000 -6.505) 6.505 9.428 ( 0.000 0.000 6.897) 6.897 9.523 ( 0.000 0.000 -0.899) 0.899 10.322 ( 0.000 0.000 2.254) 2.254 10.511 ( 0.000 0.000 4.964) 4.964 11.167 ( 0.000 0.000 -5.887) 5.887 11.287 ( 0.000 0.000 0.842) 0.842 11.327 ( 0.000 0.000 -13.218) 13.218 11.424 ( 0.000 0.000 -6.259) 6.259 12.046 ( 0.000 0.000 -12.548) 12.548 12.056 ( 0.000 0.000 1.890) 1.890 12.752 ( 0.000 0.000 1.317) 1.317 12.787 ( 0.000 0.000 4.898) 4.898 12.919 ( 0.000 0.000 7.683) 7.683 13.086 ( 0.000 0.000 -1.366) 1.366 13.721 ( 0.000 0.000 0.694) 0.694 15.121 ( 0.000 0.000 -5.642) 5.642 16.114 ( 0.000 0.000 -0.653) 0.653 16.118 ( 0.000 0.000 -5.675) 5.675 17.365 ( 0.000 0.000 -4.969) 4.969 17.377 ( 0.000 0.000 4.881) 4.881 18.146 ( 0.000 0.000 -2.683) 2.683 18.823 ( 0.000 0.000 1.073) 1.073 18.827 ( 0.000 0.000 9.296) 9.296 19.113 ( 0.000 0.000 -1.249) 1.249 19.810 ( 0.000 0.000 -5.630) 5.630 20.005 ( 0.000 0.000 -1.257) 1.257 21.977 ( 0.000 0.000 -27.093) 27.093 22.047 ( 0.000 0.000 -13.787) 13.787 22.090 ( 0.000 0.000 24.575) 24.575 23.132 ( 0.000 0.000 29.049) 29.049 26.393 ( 0.000 0.000 -4.792) 4.792 26.412 ( 0.000 0.000 -6.371) 6.371 ======================= Grid point 46 (17/90) ======================= q-point: ( 0.11 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.563 ( 12.956 0.000 14.236) 19.249 0.650 ( 13.490 0.000 15.778) 20.759 1.135 ( 22.818 0.000 17.668) 28.858 1.291 ( 14.683 0.000 12.883) 19.534 1.396 ( 11.209 0.000 8.720) 14.201 1.980 ( 4.301 0.000 -0.309) 4.312 2.075 ( 12.514 0.000 6.582) 14.139 2.326 ( 18.215 0.000 -1.895) 18.314 2.333 ( -1.142 0.000 -10.123) 10.187 2.550 ( 5.489 0.000 6.814) 8.750 2.905 ( 6.939 0.000 6.201) 9.306 2.937 ( -1.445 0.000 3.409) 3.702 2.964 ( 4.415 0.000 5.617) 7.144 3.096 ( 7.392 0.000 10.876) 13.150 3.265 ( 16.525 0.000 2.378) 16.695 3.458 ( 12.322 0.000 -1.044) 12.366 3.580 ( 4.086 0.000 -24.820) 25.154 4.266 ( 3.309 0.000 -3.202) 4.605 4.286 ( 0.492 0.000 -0.736) 0.885 4.405 ( -6.088 0.000 -7.504) 9.663 4.681 ( 10.591 0.000 10.791) 15.120 4.744 ( -6.191 0.000 10.409) 12.111 5.048 ( -1.056 0.000 9.535) 9.594 5.546 ( -3.326 0.000 -7.237) 7.965 5.563 ( -3.578 0.000 1.698) 3.960 5.634 ( -0.216 0.000 7.265) 7.268 5.689 ( -13.424 0.000 -1.777) 13.541 6.027 ( 2.307 0.000 8.350) 8.663 6.439 ( 0.282 0.000 -2.367) 2.384 6.510 ( -5.226 0.000 36.629) 37.000 6.812 ( 0.766 0.000 10.543) 10.571 6.913 ( -4.698 0.000 -2.715) 5.426 6.943 ( -0.520 0.000 -0.749) 0.912 7.194 ( 40.282 0.000 -1.369) 40.305 7.407 ( -0.586 0.000 -3.124) 3.179 7.569 ( 25.173 0.000 -14.994) 29.301 8.202 ( -9.807 0.000 -0.193) 9.809 8.498 ( -13.927 0.000 -12.102) 18.451 8.674 ( 4.285 0.000 3.845) 5.758 9.287 ( 7.460 0.000 -5.020) 8.991 9.498 ( 7.088 0.000 5.943) 9.250 9.764 ( 2.284 0.000 1.133) 2.549 10.232 ( -6.215 0.000 -1.437) 6.379 10.351 ( -14.457 0.000 7.840) 16.447 11.023 ( -8.458 0.000 -5.760) 10.234 11.277 ( -5.696 0.000 -10.770) 12.184 11.297 ( 2.876 0.000 -11.023) 11.392 11.377 ( -4.754 0.000 -7.039) 8.494 12.092 ( 3.015 0.000 -0.111) 3.017 12.648 ( 2.283 0.000 -9.432) 9.704 12.723 ( -2.818 0.000 0.791) 2.927 12.819 ( 1.229 0.000 -0.341) 1.275 12.994 ( 34.413 0.000 -29.391) 45.256 13.124 ( 3.953 0.000 -1.499) 4.228 13.803 ( 7.893 0.000 -1.652) 8.064 15.108 ( -1.337 0.000 -5.969) 6.117 16.114 ( -0.054 0.000 -0.871) 0.872 16.127 ( -1.052 0.000 -4.258) 4.385 16.901 ( -22.296 0.000 30.815) 38.035 17.362 ( -2.037 0.000 -2.004) 2.858 18.109 ( -3.751 0.000 -2.479) 4.496 18.625 ( -6.676 0.000 0.979) 6.747 19.075 ( 13.513 0.000 4.757) 14.326 19.148 ( 3.325 0.000 -3.316) 4.696 19.751 ( -6.311 0.000 -7.056) 9.467 19.972 ( -3.114 0.000 -0.395) 3.139 21.592 ( -22.497 0.000 -2.672) 22.655 21.876 ( -16.691 0.000 -12.207) 20.679 22.367 ( 21.532 0.000 18.689) 28.511 23.358 ( 21.077 0.000 25.581) 33.146 26.293 ( -7.762 0.000 -4.956) 9.209 26.413 ( -2.462 0.000 -5.580) 6.099 ======================= Grid point 47 (18/90) ======================= q-point: ( 0.22 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( 15.020 0.000 9.554) 17.801 0.977 ( 18.068 0.000 2.444) 18.233 1.512 ( 11.630 0.000 1.642) 11.746 1.580 ( 13.353 0.000 4.634) 14.134 1.659 ( 16.055 0.000 7.840) 17.867 2.088 ( 5.498 0.000 -0.318) 5.507 2.323 ( 0.950 0.000 -9.005) 9.055 2.356 ( 15.571 0.000 -3.801) 16.029 2.674 ( 10.784 0.000 0.263) 10.787 2.782 ( 17.135 0.000 -6.865) 18.459 2.860 ( -4.863 0.000 3.611) 6.057 3.047 ( 8.300 0.000 8.092) 11.592 3.168 ( 19.047 0.000 7.360) 20.419 3.315 ( 12.949 0.000 6.215) 14.363 3.616 ( -0.015 0.000 -16.851) 16.851 3.627 ( 16.226 0.000 3.897) 16.687 3.819 ( 22.811 0.000 -1.645) 22.871 4.264 ( -4.415 0.000 -6.292) 7.687 4.298 ( -0.284 0.000 -1.975) 1.995 4.344 ( 4.012 0.000 -2.440) 4.696 4.713 ( 7.491 0.000 9.199) 11.863 4.938 ( 12.632 0.000 1.861) 12.768 5.090 ( 4.642 0.000 5.609) 7.281 5.349 ( -17.769 0.000 -4.387) 18.303 5.485 ( -5.649 0.000 -10.102) 11.574 5.599 ( 2.197 0.000 14.661) 14.825 5.670 ( 7.506 0.000 -4.201) 8.602 6.062 ( 1.269 0.000 14.369) 14.425 6.415 ( -4.065 0.000 -7.362) 8.410 6.541 ( 6.945 0.000 28.878) 29.701 6.786 ( -7.940 0.000 -4.723) 9.238 6.828 ( 0.671 0.000 11.928) 11.947 6.882 ( -4.922 0.000 -0.578) 4.956 7.400 ( -0.589 0.000 2.293) 2.367 7.980 ( -9.989 0.000 -0.298) 9.993 8.121 ( 48.726 0.000 -1.782) 48.759 8.156 ( 31.313 0.000 -12.326) 33.651 8.170 ( -18.279 0.000 -9.439) 20.572 8.789 ( 7.028 0.000 3.985) 8.080 9.450 ( 8.894 0.000 -1.613) 9.039 9.594 ( -14.520 0.000 10.640) 18.002 9.662 ( 4.952 0.000 0.960) 5.044 10.068 ( -8.204 0.000 14.391) 16.565 10.109 ( -7.143 0.000 -5.978) 9.314 10.849 ( -10.057 0.000 -0.141) 10.058 11.091 ( -13.271 0.000 -6.728) 14.879 11.230 ( -10.508 0.000 -7.230) 12.755 11.337 ( -0.100 0.000 -11.375) 11.376 12.148 ( 2.243 0.000 -2.260) 3.184 12.508 ( -9.371 0.000 -3.051) 9.855 12.652 ( -4.014 0.000 -1.056) 4.151 12.741 ( -4.609 0.000 4.751) 6.620 13.238 ( 7.355 0.000 -2.004) 7.623 13.592 ( 16.265 0.000 -24.102) 29.076 14.049 ( 17.684 0.000 -21.042) 27.487 15.066 ( -3.099 0.000 -6.931) 7.593 16.039 ( -5.341 0.000 5.021) 7.331 16.107 ( -0.725 0.000 -1.493) 1.660 16.851 ( 13.224 0.000 12.128) 17.943 17.330 ( -0.538 0.000 -0.867) 1.020 18.004 ( -6.771 0.000 -2.035) 7.070 18.564 ( 0.382 0.000 -4.793) 4.809 19.217 ( 2.652 0.000 -10.651) 10.976 19.366 ( 15.909 0.000 3.456) 16.280 19.548 ( -14.832 0.000 -10.852) 18.378 19.904 ( -2.845 0.000 4.065) 4.962 21.154 ( -22.005 0.000 1.782) 22.077 21.442 ( -25.859 0.000 -7.959) 27.056 22.972 ( 38.614 0.000 18.477) 42.807 23.862 ( 28.571 0.000 17.271) 33.386 26.094 ( -12.665 0.000 -3.799) 13.222 26.294 ( -10.054 0.000 -4.665) 11.083 ======================= Grid point 48 (19/90) ======================= q-point: ( 0.33 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( 11.561 0.000 7.818) 13.957 1.292 ( 11.744 0.000 0.074) 11.744 1.649 ( 6.139 0.000 3.763) 7.200 1.803 ( 9.322 0.000 0.160) 9.323 1.942 ( 10.467 0.000 -3.554) 11.054 2.140 ( -0.547 0.000 -4.008) 4.045 2.395 ( 5.734 0.000 -7.427) 9.383 2.667 ( 9.608 0.000 -10.489) 14.224 2.756 ( 5.119 0.000 -3.524) 6.215 2.793 ( -0.710 0.000 6.440) 6.479 3.093 ( 15.393 0.000 -7.238) 17.010 3.212 ( 3.659 0.000 8.491) 9.246 3.537 ( 7.554 0.000 -2.060) 7.830 3.629 ( 19.374 0.000 -11.485) 22.522 3.677 ( 14.308 0.000 0.608) 14.321 3.703 ( -7.371 0.000 2.524) 7.791 4.210 ( -4.099 0.000 -3.844) 5.619 4.270 ( 22.093 0.000 -0.104) 22.093 4.465 ( 17.431 0.000 -5.015) 18.138 4.478 ( 10.643 0.000 -2.784) 11.001 4.916 ( 7.941 0.000 3.082) 8.518 4.981 ( -18.502 0.000 -4.124) 18.956 5.171 ( 11.844 0.000 -1.599) 11.951 5.199 ( 5.015 0.000 -1.611) 5.268 5.349 ( -8.814 0.000 -10.404) 13.636 5.658 ( 7.173 0.000 10.860) 13.015 5.897 ( 12.697 0.000 2.572) 12.955 6.066 ( -1.789 0.000 14.140) 14.253 6.254 ( -11.208 0.000 -14.689) 18.476 6.588 ( -12.487 0.000 -8.188) 14.933 6.750 ( 12.326 0.000 22.223) 25.412 6.819 ( -0.683 0.000 7.771) 7.801 6.843 ( 2.440 0.000 14.684) 14.885 7.362 ( -3.292 0.000 7.166) 7.886 7.705 ( -15.475 0.000 0.280) 15.477 7.813 ( -17.692 0.000 -1.149) 17.730 8.807 ( 31.924 0.000 -10.201) 33.514 8.926 ( 5.831 0.000 4.310) 7.251 9.049 ( 41.970 0.000 -3.016) 42.078 9.321 ( -9.575 0.000 10.137) 13.945 9.531 ( -9.461 0.000 -0.900) 9.504 9.653 ( 10.674 0.000 2.168) 10.892 9.946 ( -8.993 0.000 -6.073) 10.851 10.219 ( 16.665 0.000 10.687) 19.797 10.616 ( -13.493 0.000 5.651) 14.629 10.763 ( -19.690 0.000 -3.497) 19.998 10.961 ( -16.533 0.000 -5.229) 17.340 11.260 ( -7.976 0.000 -4.107) 8.971 12.179 ( 1.028 0.000 -2.170) 2.401 12.342 ( -6.960 0.000 -5.323) 8.762 12.584 ( -2.420 0.000 -3.809) 4.513 12.661 ( -3.430 0.000 1.217) 3.640 13.399 ( 8.698 0.000 -2.591) 9.076 13.731 ( 1.125 0.000 -6.119) 6.222 14.405 ( 16.385 0.000 -26.139) 30.850 14.984 ( -5.289 0.000 -8.704) 10.185 15.981 ( -0.642 0.000 2.204) 2.296 16.083 ( -1.737 0.000 -2.373) 2.940 17.250 ( 22.379 0.000 -3.960) 22.726 17.381 ( 9.153 0.000 0.356) 9.160 17.847 ( -9.019 0.000 -1.618) 9.163 18.637 ( 6.871 0.000 -11.239) 13.173 19.149 ( -24.398 0.000 -14.809) 28.541 19.208 ( -5.823 0.000 -20.930) 21.725 19.694 ( 17.460 0.000 2.455) 17.632 19.910 ( 4.436 0.000 11.384) 12.218 20.738 ( -20.047 0.000 5.685) 20.837 20.923 ( -25.711 0.000 -2.734) 25.856 23.807 ( 44.366 0.000 12.702) 46.149 24.442 ( 29.844 0.000 10.390) 31.601 25.787 ( -18.955 0.000 -1.663) 19.028 26.008 ( -19.164 0.000 -2.799) 19.368 ======================= Grid point 49 (20/90) ======================= q-point: ( 0.44 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( 7.021 0.000 7.510) 10.281 1.386 ( -1.112 0.000 6.428) 6.524 1.816 ( 9.415 0.000 -3.559) 10.065 1.921 ( 1.006 0.000 -1.010) 1.426 2.063 ( 2.586 0.000 -5.984) 6.519 2.096 ( -2.526 0.000 -8.409) 8.781 2.502 ( 5.088 0.000 -7.258) 8.864 2.613 ( -5.997 0.000 -6.184) 8.614 2.861 ( 7.005 0.000 9.769) 12.021 2.965 ( 2.503 0.000 2.458) 3.508 3.196 ( 5.161 0.000 3.034) 5.986 3.428 ( -13.726 0.000 -2.717) 13.992 3.437 ( 15.535 0.000 -11.727) 19.464 3.635 ( -3.469 0.000 -4.964) 6.056 3.879 ( 12.204 0.000 -9.850) 15.683 4.086 ( -8.510 0.000 -5.590) 10.182 4.112 ( 20.656 0.000 -3.843) 21.010 4.462 ( -11.948 0.000 -12.666) 17.412 4.737 ( 13.265 0.000 -8.877) 15.961 4.787 ( 13.791 0.000 -4.374) 14.468 4.804 ( 6.888 0.000 6.568) 9.517 4.962 ( -1.943 0.000 4.377) 4.789 5.134 ( -8.137 0.000 2.098) 8.403 5.143 ( -10.773 0.000 -5.750) 12.212 5.506 ( 18.762 0.000 -10.372) 21.438 5.870 ( -17.201 0.000 -12.818) 21.452 5.915 ( 16.706 0.000 -1.483) 16.772 6.100 ( 7.173 0.000 8.875) 11.411 6.125 ( -2.733 0.000 7.309) 7.803 6.301 ( -15.842 0.000 -6.220) 17.019 6.825 ( 0.979 0.000 17.182) 17.210 6.832 ( 0.812 0.000 14.910) 14.932 7.109 ( 18.337 0.000 17.577) 25.400 7.309 ( -0.211 0.000 5.437) 5.441 7.425 ( -11.383 0.000 1.502) 11.481 7.471 ( -17.531 0.000 9.995) 20.180 8.983 ( 0.967 0.000 8.198) 8.254 9.041 ( -5.111 0.000 6.994) 8.663 9.424 ( 15.831 0.000 -13.102) 20.550 9.463 ( 2.634 0.000 -9.240) 9.608 9.821 ( 2.124 0.000 -1.943) 2.879 9.842 ( 33.015 0.000 -2.383) 33.101 9.871 ( 8.331 0.000 0.200) 8.333 10.325 ( -17.788 0.000 7.061) 19.138 10.346 ( -12.143 0.000 8.774) 14.982 10.416 ( -14.813 0.000 -5.123) 15.674 10.747 ( 7.669 0.000 4.824) 9.060 11.031 ( -14.757 0.000 2.712) 15.004 12.197 ( 1.213 0.000 -2.472) 2.753 12.240 ( -3.486 0.000 -4.441) 5.645 12.567 ( 0.722 0.000 -5.051) 5.103 12.603 ( -2.571 0.000 -3.025) 3.970 13.565 ( 7.773 0.000 -2.898) 8.296 13.690 ( -4.669 0.000 -3.341) 5.742 14.673 ( 11.140 0.000 -18.195) 21.335 14.856 ( -7.768 0.000 -12.053) 14.339 15.997 ( 1.865 0.000 -1.665) 2.500 16.041 ( -2.363 0.000 -2.881) 3.726 17.469 ( 8.770 0.000 -1.704) 8.934 17.658 ( -9.998 0.000 -1.431) 10.100 17.899 ( 33.421 0.000 -10.831) 35.132 18.566 ( -33.109 0.000 -15.420) 36.524 18.818 ( 11.009 0.000 -17.927) 21.037 19.042 ( -10.898 0.000 -22.605) 25.094 20.049 ( 18.385 0.000 1.571) 18.452 20.077 ( 11.734 0.000 11.719) 16.583 20.377 ( -16.210 0.000 9.498) 18.788 20.458 ( -21.333 0.000 1.058) 21.360 24.648 ( 39.843 0.000 6.597) 40.385 25.018 ( 28.486 0.000 4.751) 28.879 25.327 ( -28.639 0.000 1.747) 28.692 25.556 ( -25.992 0.000 0.293) 25.993 ======================= Grid point 54 (21/90) ======================= q-point: ( 0.00 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.655 ( 0.000 10.401 22.855) 25.110 0.663 ( 0.000 13.247 17.778) 22.171 1.011 ( 0.000 6.329 17.254) 18.379 1.185 ( 0.000 -8.402 6.382) 10.551 1.229 ( 0.000 12.095 15.894) 19.973 1.941 ( 0.000 7.820 3.663) 8.635 1.972 ( 0.000 -12.543 -3.588) 13.046 2.059 ( 0.000 6.881 5.301) 8.686 2.238 ( 0.000 -5.571 3.293) 6.471 2.646 ( 0.000 6.999 5.166) 8.699 2.731 ( 0.000 -17.168 0.774) 17.186 2.799 ( 0.000 -1.654 6.933) 7.128 3.104 ( 0.000 0.656 2.890) 2.964 3.118 ( 0.000 1.236 -3.811) 4.006 3.135 ( 0.000 14.174 1.518) 14.255 3.799 ( 0.000 20.553 -14.627) 25.227 3.898 ( 0.000 -2.776 -11.124) 11.465 4.144 ( 0.000 17.294 -23.796) 29.416 4.305 ( 0.000 0.671 -1.358) 1.515 4.386 ( 0.000 -4.237 -3.688) 5.617 4.668 ( 0.000 9.830 10.592) 14.451 4.994 ( 0.000 12.110 10.452) 15.997 5.115 ( 0.000 -12.663 1.884) 12.803 5.232 ( 0.000 -3.228 1.622) 3.613 5.565 ( 0.000 -5.947 6.859) 9.078 5.646 ( 0.000 -4.695 -2.067) 5.130 5.993 ( 0.000 0.787 -0.381) 0.874 6.084 ( 0.000 5.248 7.742) 9.353 6.410 ( 0.000 -1.989 0.330) 2.016 6.470 ( 0.000 -20.181 20.091) 28.477 6.744 ( 0.000 0.419 -2.712) 2.744 6.748 ( 0.000 -0.850 -3.219) 3.329 6.799 ( 0.000 -1.185 10.956) 11.020 6.920 ( 0.000 -8.834 13.966) 16.526 7.051 ( 0.000 6.769 -1.150) 6.866 7.364 ( 0.000 -4.891 -3.832) 6.213 8.379 ( 0.000 9.216 -1.061) 9.277 8.648 ( 0.000 -1.462 -11.057) 11.153 9.154 ( 0.000 1.853 -6.008) 6.287 9.347 ( 0.000 -6.366 5.301) 8.284 9.560 ( 0.000 28.079 -24.072) 36.985 9.625 ( 0.000 8.896 -0.268) 8.901 10.231 ( 0.000 -8.155 -1.973) 8.391 10.258 ( 0.000 -16.991 4.207) 17.504 11.358 ( 0.000 2.255 -10.915) 11.146 11.384 ( 0.000 6.147 -5.404) 8.185 11.424 ( 0.000 8.765 -7.795) 11.729 11.790 ( 0.000 27.400 -22.818) 35.657 11.908 ( 0.000 -8.175 -3.896) 9.056 12.132 ( 0.000 2.098 -7.127) 7.430 12.685 ( 0.000 -1.164 -2.108) 2.408 12.861 ( 0.000 3.560 7.023) 7.874 12.869 ( 0.000 -4.448 3.770) 5.830 13.039 ( 0.000 -4.004 0.729) 4.070 13.901 ( 0.000 16.847 -0.010) 16.847 14.902 ( 0.000 -19.436 -5.716) 20.259 15.983 ( 0.000 -5.416 10.816) 12.096 16.061 ( 0.000 -4.610 -1.040) 4.726 17.357 ( 0.000 -1.178 1.979) 2.303 17.362 ( 0.000 -0.565 -4.040) 4.080 18.262 ( 0.000 9.694 0.093) 9.694 18.732 ( 0.000 -8.506 6.826) 10.906 18.893 ( 0.000 5.564 -0.513) 5.587 19.082 ( 0.000 -2.230 -1.983) 2.984 19.790 ( 0.000 0.789 -1.664) 1.842 19.959 ( 0.000 -4.031 -1.329) 4.244 21.908 ( 0.000 -3.681 -10.318) 10.955 21.940 ( 0.000 -4.479 0.499) 4.507 22.240 ( 0.000 8.530 12.005) 14.726 22.704 ( 0.000 -18.647 36.871) 41.318 26.396 ( 0.000 0.273 -5.011) 5.018 26.410 ( 0.000 -0.229 -6.101) 6.106 ======================= Grid point 55 (22/90) ======================= q-point: ( 0.11 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.732 ( 14.210 9.097 9.548) 19.386 0.929 ( 12.047 19.768 9.909) 25.181 1.130 ( 12.981 -3.297 4.502) 14.130 1.377 ( 13.966 -0.687 11.924) 18.377 1.401 ( 17.228 8.338 15.089) 24.372 1.981 ( 3.343 -5.834 -1.817) 6.965 2.058 ( 4.099 0.182 6.183) 7.420 2.142 ( 6.040 -0.263 -1.435) 6.213 2.323 ( 15.075 -3.521 0.533) 15.490 2.707 ( 6.736 8.146 3.501) 11.135 2.763 ( 2.039 -15.290 2.412) 15.613 2.899 ( 9.131 -1.369 7.626) 11.975 3.140 ( 1.848 14.461 1.967) 14.711 3.192 ( 6.952 3.473 -2.520) 8.170 3.269 ( 14.140 0.201 1.213) 14.193 3.734 ( -1.625 19.192 -9.593) 21.518 3.909 ( 0.037 5.532 -10.872) 12.198 4.056 ( -3.825 0.547 -7.134) 8.113 4.276 ( -2.424 -5.608 0.797) 6.161 4.413 ( -0.571 1.661 -7.688) 7.886 4.734 ( -8.068 -1.354 4.777) 9.474 4.800 ( 6.275 7.524 5.716) 11.343 5.142 ( 1.435 6.755 7.820) 10.433 5.286 ( 3.201 -8.231 -0.778) 8.866 5.543 ( -4.469 -5.332 0.724) 6.995 5.583 ( -1.866 -3.131 4.241) 5.592 5.835 ( -10.874 5.073 -3.516) 12.504 6.188 ( -2.493 8.216 12.165) 14.890 6.226 ( 2.898 -11.719 13.979) 18.470 6.492 ( 1.762 -2.269 11.270) 11.630 6.793 ( 0.049 -1.201 10.349) 10.419 6.867 ( 0.381 -4.159 2.956) 5.117 6.986 ( 0.250 4.115 -1.683) 4.453 7.177 ( 24.668 -3.079 -2.640) 24.999 7.304 ( 25.700 -2.842 -4.418) 26.231 7.466 ( 21.949 -5.999 -4.701) 23.235 8.292 ( -8.480 8.201 -1.640) 11.910 8.499 ( -13.382 -0.527 -10.677) 17.127 9.097 ( -10.175 21.899 -4.997) 24.659 9.301 ( 3.049 3.710 -2.013) 5.207 9.430 ( 7.288 -5.460 5.438) 10.607 9.836 ( -1.569 4.443 -0.862) 4.790 10.103 ( -9.876 -13.317 1.511) 16.648 10.242 ( -3.622 -5.607 3.811) 7.686 11.192 ( -14.016 9.818 -13.476) 21.782 11.335 ( -4.343 0.589 -10.133) 11.040 11.354 ( -7.419 7.462 -6.335) 12.282 11.438 ( -6.800 5.703 -6.501) 11.002 12.095 ( 3.520 1.303 -1.233) 3.951 12.461 ( 4.772 -12.574 -9.049) 16.210 12.750 ( -4.325 0.564 3.353) 5.502 12.802 ( 1.404 -1.539 0.452) 2.132 13.032 ( 21.865 4.092 -12.338) 25.437 13.173 ( 15.860 1.272 -12.890) 20.477 13.941 ( 3.643 14.232 -0.014) 14.691 14.892 ( -1.091 -19.181 -5.811) 20.072 15.968 ( 0.092 -1.589 7.419) 7.588 16.172 ( 9.250 -4.538 -1.830) 10.465 17.051 ( -20.976 9.785 11.234) 25.728 17.328 ( -3.917 -3.257 -1.727) 5.379 18.213 ( -4.421 8.839 -0.158) 9.884 18.593 ( -7.732 -4.360 2.251) 9.157 19.066 ( 11.922 0.674 -0.289) 11.945 19.145 ( 5.980 -0.897 -3.183) 6.834 19.756 ( -4.295 1.552 -4.267) 6.250 19.925 ( -3.389 -4.004 -1.004) 5.341 21.636 ( -19.685 3.693 -3.832) 20.391 21.837 ( -15.948 -3.751 -10.756) 19.598 22.451 ( 22.016 7.619 20.022) 30.719 23.034 ( 28.637 -20.581 29.533) 45.998 26.311 ( -6.964 1.608 -5.000) 8.723 26.396 ( -3.229 -1.539 -5.463) 6.530 ======================= Grid point 56 (23/90) ======================= q-point: ( 0.22 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( 17.368 7.951 -0.091) 19.102 1.144 ( 11.024 20.648 5.646) 24.078 1.434 ( 15.371 -6.070 -2.493) 16.713 1.635 ( 11.350 1.204 7.121) 13.453 1.731 ( 13.372 6.669 5.503) 15.924 2.026 ( 3.012 -5.784 -0.641) 6.553 2.124 ( 1.325 -8.879 -2.344) 9.278 2.311 ( 12.099 -4.991 0.910) 13.119 2.725 ( 16.980 -2.961 -8.522) 19.228 2.788 ( 4.371 -4.523 -2.113) 6.635 2.911 ( 11.786 11.632 2.580) 16.759 3.154 ( 16.661 -1.120 6.801) 18.030 3.192 ( 4.873 14.741 4.236) 16.093 3.364 ( 10.225 3.565 -0.214) 10.831 3.570 ( 12.896 -3.216 1.538) 13.379 3.842 ( 3.495 9.739 -4.142) 11.145 3.933 ( 11.035 10.176 -4.627) 15.708 4.049 ( 1.940 -15.038 -0.701) 15.178 4.215 ( -2.388 -5.196 -1.322) 5.869 4.342 ( -0.992 -4.121 -5.232) 6.734 4.758 ( 9.936 5.636 3.738) 12.019 4.997 ( 9.788 3.729 -3.022) 10.902 5.181 ( 0.941 6.152 1.588) 6.423 5.300 ( -5.452 -2.107 3.112) 6.622 5.498 ( 5.702 -7.366 -7.643) 12.049 5.564 ( -1.675 -4.006 10.165) 11.054 5.645 ( -6.478 9.045 -4.513) 12.006 6.134 ( -1.229 -4.346 13.168) 13.922 6.342 ( 4.857 1.836 6.254) 8.128 6.530 ( 2.534 -0.808 16.581) 16.793 6.771 ( -2.584 -1.345 4.088) 5.019 6.848 ( -1.943 -1.880 3.240) 4.220 6.920 ( -4.273 6.732 -0.732) 8.007 7.299 ( -0.223 -8.095 -0.230) 8.102 8.069 ( -12.288 5.453 -0.599) 13.457 8.114 ( 40.218 0.156 -4.325) 40.450 8.130 ( 34.815 -1.403 -9.132) 36.020 8.191 ( -10.239 1.062 -6.081) 11.956 8.983 ( -0.793 16.122 2.467) 16.329 9.437 ( 7.333 0.332 2.682) 7.815 9.584 ( -1.601 -4.945 -1.263) 5.349 9.679 ( -2.584 0.835 8.822) 9.230 9.892 ( -8.364 -8.256 8.074) 14.259 10.123 ( -7.460 -3.357 2.644) 8.597 10.948 ( -11.771 8.492 -7.427) 16.304 11.149 ( -13.382 4.612 -4.373) 14.814 11.207 ( -10.038 -1.967 -8.217) 13.120 11.336 ( -4.953 -0.795 -8.203) 9.615 12.157 ( 2.783 1.538 -2.986) 4.362 12.424 ( -4.071 -7.879 -4.876) 10.121 12.641 ( -5.581 1.036 2.374) 6.153 12.738 ( -4.967 -1.157 4.807) 7.008 13.336 ( 11.902 8.285 -6.447) 15.871 13.663 ( 21.902 1.853 -30.207) 37.358 14.037 ( 6.838 4.740 -4.611) 9.512 14.855 ( -2.765 -18.480 -6.306) 19.721 15.997 ( 2.743 5.402 2.630) 6.605 16.360 ( 6.985 5.668 -6.874) 11.321 16.790 ( -2.046 1.357 12.357) 12.599 17.253 ( -2.778 -7.348 -0.177) 7.858 18.110 ( -5.485 8.663 -0.783) 10.283 18.495 ( -1.950 -6.268 -3.032) 7.230 19.242 ( 5.179 2.096 -10.932) 12.277 19.338 ( 11.119 -2.021 -3.347) 11.786 19.607 ( -9.644 4.759 -5.735) 12.188 19.843 ( -3.943 -5.041 2.282) 6.794 21.205 ( -22.618 4.328 0.436) 23.033 21.410 ( -25.327 -3.131 -6.428) 26.317 23.066 ( 38.546 8.599 18.570) 43.641 23.665 ( 33.766 -15.611 18.613) 41.597 26.124 ( -12.272 2.679 -3.854) 13.139 26.266 ( -10.424 -2.563 -4.495) 11.638 ======================= Grid point 57 (24/90) ======================= q-point: ( 0.33 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( 8.813 15.865 5.259) 18.895 1.389 ( 11.766 8.846 -1.958) 14.850 1.678 ( 9.465 0.998 0.318) 9.523 1.817 ( 7.779 1.264 1.752) 8.073 1.921 ( 6.657 -3.285 -5.292) 9.116 2.092 ( 2.138 -2.755 -2.165) 4.105 2.164 ( 2.863 -12.179 -2.423) 12.743 2.474 ( 3.104 -15.140 -0.275) 15.457 2.864 ( 7.857 7.666 -6.943) 12.989 3.051 ( 7.798 12.139 -5.727) 15.523 3.096 ( 13.614 3.091 -9.491) 16.881 3.295 ( 3.909 9.065 9.368) 13.609 3.466 ( 9.329 -4.948 -5.452) 11.884 3.641 ( 8.616 -0.162 2.190) 8.891 3.695 ( 9.915 2.429 -2.065) 10.415 3.827 ( -0.608 7.574 0.017) 7.598 4.059 ( -0.967 -13.962 0.412) 14.002 4.224 ( 15.396 -7.422 -1.570) 17.163 4.377 ( 16.150 -0.070 -2.986) 16.424 4.482 ( 13.487 -2.083 -6.480) 15.108 4.946 ( 4.383 3.551 0.519) 5.665 5.000 ( -10.918 1.428 -2.584) 11.310 5.231 ( 5.253 3.640 -1.492) 6.563 5.255 ( 5.876 6.465 -2.905) 9.207 5.434 ( -9.055 1.094 -1.005) 9.176 5.640 ( 6.723 -4.312 -5.005) 9.426 5.733 ( 11.893 -1.463 5.224) 13.072 6.093 ( -4.543 -4.077 0.510) 6.125 6.370 ( -0.978 9.313 3.926) 10.153 6.576 ( -2.576 -0.737 7.542) 8.004 6.749 ( 3.016 -1.280 9.668) 10.209 6.815 ( 1.185 -2.404 8.762) 9.163 6.868 ( -0.231 6.014 7.551) 9.656 7.257 ( -3.820 -8.393 2.301) 9.505 7.769 ( -16.430 4.226 3.050) 17.237 7.835 ( -16.990 1.416 1.109) 17.085 8.823 ( 30.744 1.423 -8.924) 32.045 8.900 ( 17.365 -1.668 -3.152) 17.727 9.117 ( 26.062 5.716 2.018) 26.758 9.352 ( -5.897 1.069 4.238) 7.340 9.501 ( -8.130 -0.541 5.553) 9.860 9.729 ( 10.049 7.154 1.695) 12.451 9.855 ( -5.678 -8.820 2.514) 10.787 10.139 ( 13.891 -7.097 6.272) 16.812 10.689 ( -15.067 6.956 -1.525) 16.665 10.829 ( -18.746 5.181 -0.792) 19.465 10.938 ( -16.977 -1.889 -5.113) 17.831 11.197 ( -9.906 -5.960 -2.267) 11.781 12.204 ( 1.952 2.507 -3.533) 4.752 12.356 ( -2.502 -0.531 -6.859) 7.321 12.546 ( -3.862 -1.252 -0.923) 4.164 12.645 ( -4.160 -1.783 1.977) 4.939 13.549 ( 9.743 12.721 -6.516) 17.297 13.880 ( 2.257 12.954 -8.738) 15.787 14.252 ( 13.377 -11.843 -18.298) 25.574 14.781 ( -4.803 -17.605 -7.610) 19.772 16.065 ( 3.716 12.188 -3.549) 13.227 16.385 ( -1.942 19.834 -1.290) 19.971 16.969 ( 14.841 -20.477 -2.759) 25.440 17.246 ( 2.509 -11.858 1.143) 12.174 18.030 ( -1.261 12.223 -2.932) 12.633 18.521 ( 4.534 -9.395 -10.041) 14.479 19.192 ( -20.447 3.591 -13.945) 25.009 19.256 ( -6.296 2.805 -19.104) 20.309 19.692 ( 14.160 0.131 -0.378) 14.166 19.835 ( 4.446 -5.749 7.753) 10.627 20.788 ( -19.124 3.878 5.952) 20.400 20.914 ( -23.765 -1.053 -0.309) 23.790 23.885 ( 42.974 7.098 12.449) 45.300 24.327 ( 33.215 -9.725 10.924) 36.292 25.820 ( -18.992 2.960 -1.725) 19.298 25.976 ( -19.129 -2.826 -2.545) 19.503 ======================= Grid point 58 (25/90) ======================= q-point: ( 0.44 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( 3.623 12.126 4.577) 13.458 1.523 ( 2.337 12.244 5.260) 13.529 1.831 ( 5.483 1.083 -4.832) 7.388 1.948 ( 4.759 1.605 -1.406) 5.216 2.002 ( 1.761 -5.248 -6.760) 8.737 2.090 ( -1.436 -0.758 -4.459) 4.746 2.201 ( 0.237 -14.523 -6.518) 15.920 2.499 ( 0.674 -19.510 5.412) 20.258 2.945 ( 0.746 17.439 -4.889) 18.127 3.238 ( 11.442 7.819 -5.743) 15.001 3.303 ( -0.418 13.572 10.441) 17.128 3.401 ( 13.811 -3.253 -10.719) 17.783 3.471 ( -8.709 2.435 -5.510) 10.589 3.595 ( -4.625 -2.161 -2.388) 5.636 3.805 ( 3.120 -6.317 -8.579) 11.101 3.996 ( -1.556 -9.031 -1.927) 9.364 4.162 ( 19.438 4.578 -2.586) 20.137 4.478 ( -5.405 0.611 -13.186) 14.264 4.572 ( 10.260 -9.516 -6.176) 15.296 4.704 ( 4.212 -6.291 -10.940) 13.304 4.876 ( 5.877 5.264 7.044) 10.577 4.991 ( 1.944 2.729 4.319) 5.466 5.145 ( -10.283 1.225 4.757) 11.396 5.241 ( -6.275 2.310 2.363) 7.092 5.547 ( 14.261 3.916 -15.170) 21.186 5.813 ( 7.814 -6.922 -13.061) 16.720 5.888 ( -2.764 -0.369 -1.753) 3.294 5.950 ( -3.309 -0.601 -4.259) 5.426 6.375 ( 1.254 11.311 13.223) 17.446 6.450 ( -6.150 11.004 -1.927) 12.753 6.746 ( -1.469 -4.640 14.220) 15.030 6.871 ( 1.996 0.169 19.209) 19.313 7.040 ( 12.698 -4.845 10.297) 17.051 7.190 ( -1.000 -7.373 0.251) 7.444 7.468 ( -12.727 3.019 8.548) 15.625 7.533 ( -11.906 2.512 10.920) 16.350 8.934 ( -2.233 0.504 0.965) 2.485 9.167 ( 6.330 1.151 -1.319) 6.567 9.287 ( -5.341 -0.105 1.688) 5.602 9.584 ( 11.711 3.702 -8.409) 14.885 9.754 ( 6.741 -4.774 1.422) 8.382 9.802 ( 30.623 -2.590 -3.274) 30.906 9.992 ( 11.284 8.129 1.964) 14.045 10.287 ( -14.324 -0.573 2.201) 14.504 10.398 ( -12.850 -0.224 -3.735) 13.384 10.479 ( -13.655 8.471 8.191) 18.037 10.657 ( 1.325 -7.314 2.835) 7.955 10.949 ( -14.345 -7.688 4.546) 16.898 12.233 ( 0.848 3.806 -4.659) 6.076 12.324 ( -0.835 5.964 -3.082) 6.765 12.496 ( -1.183 -5.008 -5.147) 7.279 12.585 ( -1.717 -2.610 -1.611) 3.515 13.715 ( 6.763 13.753 -6.286) 16.565 13.854 ( -3.561 14.259 -3.814) 15.183 14.485 ( 9.653 -15.085 -14.859) 23.270 14.667 ( -6.640 -16.893 -10.230) 20.835 16.125 ( 1.929 16.043 -8.045) 18.051 16.349 ( -1.154 21.288 1.026) 21.344 17.179 ( 5.000 -25.472 -7.116) 26.916 17.333 ( 3.761 -18.684 1.170) 19.095 18.137 ( 12.332 12.000 -12.260) 21.127 18.644 ( 5.813 -11.459 -19.268) 23.159 18.721 ( -22.531 11.765 -9.970) 27.303 19.094 ( -7.827 0.290 -15.738) 17.580 19.934 ( 7.809 -5.295 -2.067) 9.659 20.009 ( 11.333 -5.846 0.712) 12.771 20.478 ( -11.520 6.116 11.620) 17.469 20.520 ( -14.151 3.755 6.803) 16.144 24.696 ( 38.248 4.298 6.181) 38.982 24.955 ( 30.210 -5.423 4.792) 31.065 25.362 ( -28.127 3.084 1.781) 28.352 25.524 ( -26.172 -2.878 0.809) 26.343 ======================= Grid point 63 (26/90) ======================= q-point: ( 0.00 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.878 ( 0.000 -7.032 16.578) 18.007 0.878 ( 0.000 7.032 16.578) 18.007 0.954 ( 0.000 -9.703 14.518) 17.462 0.954 ( 0.000 9.703 14.518) 17.462 1.652 ( 0.000 -18.618 -0.546) 18.626 1.652 ( 0.000 18.618 -0.546) 18.626 2.107 ( 0.000 -6.776 6.601) 9.460 2.107 ( 0.000 6.776 6.601) 9.460 2.332 ( 0.000 -18.128 1.244) 18.171 2.332 ( 0.000 18.128 1.244) 18.171 2.749 ( 0.000 -3.233 7.283) 7.968 2.749 ( 0.000 3.233 7.283) 7.968 3.117 ( 0.000 -0.615 -0.549) 0.824 3.117 ( 0.000 0.615 -0.549) 0.824 3.527 ( 0.000 -20.489 -1.118) 20.519 3.527 ( 0.000 20.489 -1.118) 20.519 4.176 ( 0.000 -9.846 -1.762) 10.002 4.176 ( 0.000 9.846 -1.762) 10.002 4.395 ( 0.000 -4.577 -18.978) 19.522 4.395 ( 0.000 4.577 -18.978) 19.522 4.814 ( 0.000 -5.423 0.741) 5.473 4.814 ( 0.000 5.423 0.741) 5.473 5.303 ( 0.000 -7.896 1.022) 7.962 5.303 ( 0.000 7.896 1.022) 7.962 5.451 ( 0.000 -2.605 12.708) 12.972 5.451 ( 0.000 2.605 12.708) 12.972 6.028 ( 0.000 -3.274 5.436) 6.346 6.028 ( 0.000 3.274 5.436) 6.346 6.365 ( 0.000 -1.899 4.943) 5.295 6.365 ( 0.000 1.899 4.943) 5.295 6.748 ( 0.000 -0.227 -3.948) 3.955 6.748 ( 0.000 0.227 -3.948) 3.955 6.798 ( 0.000 -2.236 13.275) 13.462 6.798 ( 0.000 2.236 13.275) 13.462 7.221 ( 0.000 -8.091 -2.422) 8.446 7.221 ( 0.000 8.091 -2.422) 8.446 8.569 ( 0.000 -6.624 -6.696) 9.419 8.569 ( 0.000 6.624 -6.696) 9.419 9.213 ( 0.000 -4.928 1.382) 5.118 9.213 ( 0.000 4.928 1.382) 5.118 9.868 ( 0.000 -9.526 -4.685) 10.615 9.868 ( 0.000 9.526 -4.685) 10.615 10.009 ( 0.000 -8.677 -5.704) 10.384 10.009 ( 0.000 8.677 -5.704) 10.384 11.396 ( 0.000 -0.930 -8.451) 8.502 11.396 ( 0.000 0.930 -8.451) 8.502 11.697 ( 0.000 -11.873 -2.265) 12.087 11.697 ( 0.000 11.873 -2.265) 12.087 12.116 ( 0.000 -5.154 -13.765) 14.698 12.116 ( 0.000 5.154 -13.765) 14.698 12.749 ( 0.000 -5.980 -4.466) 7.464 12.749 ( 0.000 5.980 -4.466) 7.464 12.942 ( 0.000 -4.400 6.093) 7.516 12.942 ( 0.000 4.400 6.093) 7.516 14.386 ( 0.000 -26.325 -3.793) 26.597 14.386 ( 0.000 26.325 -3.793) 26.597 15.968 ( 0.000 -3.000 7.161) 7.764 15.968 ( 0.000 3.000 7.161) 7.764 17.348 ( 0.000 -0.381 -1.769) 1.810 17.348 ( 0.000 0.381 -1.769) 1.810 18.504 ( 0.000 -11.994 3.891) 12.609 18.504 ( 0.000 11.994 3.891) 12.609 19.011 ( 0.000 -4.735 -2.578) 5.392 19.011 ( 0.000 4.735 -2.578) 5.392 19.858 ( 0.000 -4.760 -1.293) 4.933 19.858 ( 0.000 4.760 -1.293) 4.933 21.880 ( 0.000 -0.977 -0.748) 1.231 21.880 ( 0.000 0.977 -0.748) 1.231 22.432 ( 0.000 -9.720 19.008) 21.349 22.432 ( 0.000 9.720 19.008) 21.349 26.403 ( 0.000 -0.365 -5.543) 5.555 26.403 ( 0.000 0.365 -5.543) 5.555 ======================= Grid point 65 (27/90) ======================= q-point: ( 0.11 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( 11.716 -10.293 3.739) 16.037 0.950 ( 11.716 10.293 3.739) 16.037 1.246 ( 18.286 -9.888 14.499) 25.345 1.246 ( 18.286 9.888 14.499) 25.345 1.727 ( 7.364 -15.609 -1.907) 17.364 1.727 ( 7.364 15.609 -1.907) 17.364 2.132 ( 0.347 -4.873 8.865) 10.122 2.132 ( 0.347 4.873 8.865) 10.122 2.413 ( 10.686 -14.028 -1.961) 17.743 2.413 ( 10.686 14.028 -1.961) 17.743 2.843 ( 9.085 -4.230 7.130) 12.299 2.843 ( 9.085 4.230 7.130) 12.299 3.236 ( 10.865 -1.615 -0.356) 10.991 3.236 ( 10.865 1.615 -0.356) 10.991 3.553 ( 2.338 -20.665 -0.466) 20.802 3.553 ( 2.338 20.665 -0.466) 20.802 4.101 ( -5.504 -12.360 -1.017) 13.568 4.101 ( -5.504 12.360 -1.017) 13.568 4.316 ( -8.486 -10.947 -13.524) 19.359 4.316 ( -8.486 10.947 -13.524) 19.359 4.795 ( 3.266 -6.606 -1.325) 7.487 4.795 ( 3.266 6.606 -1.325) 7.487 5.291 ( -0.949 -3.868 0.827) 4.067 5.291 ( -0.949 3.868 0.827) 4.067 5.453 ( 0.343 -4.393 9.600) 10.562 5.453 ( 0.343 4.393 9.600) 10.562 5.960 ( -5.112 -8.184 4.866) 10.807 5.960 ( -5.112 8.184 4.866) 10.807 6.397 ( 3.481 -6.900 7.915) 11.062 6.397 ( 3.481 6.900 7.915) 11.062 6.796 ( 0.746 -1.930 9.034) 9.268 6.796 ( 0.746 1.930 9.034) 9.268 7.082 ( 10.277 -4.681 -3.442) 11.805 7.082 ( 10.277 4.681 -3.442) 11.805 7.346 ( 26.629 -4.782 -3.040) 27.225 7.346 ( 26.629 4.782 -3.040) 27.225 8.448 ( -11.287 -4.962 -6.393) 13.889 8.448 ( -11.287 4.962 -6.393) 13.889 9.297 ( 7.987 -5.135 2.578) 9.839 9.297 ( 7.987 5.135 2.578) 9.839 9.635 ( -14.950 -19.318 -4.197) 24.785 9.635 ( -14.950 19.318 -4.197) 24.785 10.083 ( -0.308 -8.306 2.544) 8.693 10.083 ( -0.308 8.306 2.544) 8.693 11.311 ( -8.183 -2.752 -11.412) 14.310 11.311 ( -8.183 2.752 -11.412) 14.310 11.498 ( -12.166 -2.233 -5.599) 13.578 11.498 ( -12.166 2.233 -5.599) 13.578 12.207 ( 3.610 -9.703 -4.941) 11.471 12.207 ( 3.610 9.703 -4.941) 11.471 12.767 ( -1.812 -1.382 3.062) 3.817 12.767 ( -1.812 1.382 3.062) 3.817 13.132 ( 19.321 -4.332 -10.412) 22.371 13.132 ( 19.321 4.332 -10.412) 22.371 14.388 ( 0.131 -25.324 -3.705) 25.594 14.388 ( 0.131 25.324 -3.705) 25.594 16.034 ( 6.550 -6.329 5.024) 10.402 16.034 ( 6.550 6.329 5.024) 10.402 17.225 ( -10.546 -6.416 0.309) 12.348 17.225 ( -10.546 6.416 0.309) 12.348 18.428 ( -6.163 -10.155 2.609) 12.162 18.428 ( -6.163 10.155 2.609) 12.162 19.108 ( 8.619 -2.404 -4.022) 9.810 19.108 ( 8.619 2.404 -4.022) 9.810 19.827 ( -3.452 -4.575 -2.043) 6.085 19.827 ( -3.452 4.575 -2.043) 6.085 21.734 ( -16.160 -5.238 -6.676) 18.252 21.734 ( -16.160 5.238 -6.676) 18.252 22.674 ( 25.135 -13.287 23.963) 37.182 22.674 ( 25.135 13.287 23.963) 37.182 26.354 ( -5.083 -2.211 -5.210) 7.607 26.354 ( -5.083 2.211 -5.210) 7.607 ======================= Grid point 67 (28/90) ======================= q-point: ( 0.22 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( 17.841 -9.426 -4.154) 20.601 1.261 ( 17.841 9.426 -4.154) 20.601 1.523 ( 10.080 -12.323 6.905) 17.354 1.523 ( 10.080 12.323 6.905) 17.354 1.890 ( 6.874 -5.897 -1.996) 9.274 1.890 ( 6.874 5.897 -1.996) 9.274 2.131 ( 1.061 -9.068 5.361) 10.588 2.131 ( 1.061 9.068 5.361) 10.588 2.711 ( 16.473 -2.296 -8.035) 18.471 2.711 ( 16.473 2.296 -8.035) 18.471 3.092 ( 15.176 -5.281 6.350) 17.278 3.092 ( 15.176 5.281 6.350) 17.278 3.463 ( 10.829 -5.982 1.169) 12.426 3.463 ( 10.829 5.982 1.169) 12.426 3.605 ( 2.702 -20.857 1.098) 21.060 3.605 ( 2.702 20.857 1.098) 21.060 4.046 ( -1.613 -8.457 0.430) 8.620 4.046 ( -1.613 8.457 0.430) 8.620 4.200 ( 2.260 -8.659 -6.492) 11.056 4.200 ( 2.260 8.659 -6.492) 11.056 4.938 ( 8.427 -9.008 -4.369) 13.085 4.938 ( 8.427 9.008 -4.369) 13.085 5.285 ( 1.494 -6.089 -0.309) 6.277 5.285 ( 1.494 6.089 -0.309) 6.277 5.447 ( -1.794 -6.357 2.011) 6.905 5.447 ( -1.794 6.357 2.011) 6.905 5.890 ( -1.011 -12.995 5.382) 14.101 5.890 ( -1.011 12.995 5.382) 14.101 6.471 ( 3.660 -5.329 13.719) 15.166 6.471 ( 3.660 5.329 13.719) 15.166 6.787 ( -1.939 -2.764 3.469) 4.841 6.787 ( -1.939 2.764 3.469) 4.841 7.102 ( -1.716 -9.632 -1.974) 9.981 7.102 ( -1.716 9.632 -1.974) 9.981 8.104 ( 32.183 -0.621 -6.897) 32.919 8.104 ( 32.183 0.621 -6.897) 32.919 8.182 ( -5.917 -2.433 -2.141) 6.746 8.182 ( -5.917 2.433 -2.141) 6.746 9.371 ( -10.916 -17.400 0.737) 20.554 9.371 ( -10.916 17.400 0.737) 20.554 9.504 ( 12.028 -6.184 5.683) 14.670 9.504 ( 12.028 6.184 5.683) 14.670 9.973 ( -8.816 -9.087 5.688) 13.880 9.973 ( -8.816 9.087 5.688) 13.880 11.119 ( -11.241 -5.957 -11.634) 17.240 11.119 ( -11.241 5.957 -11.634) 17.240 11.274 ( -11.778 -5.157 -3.153) 13.239 11.274 ( -11.778 5.157 -3.153) 13.239 12.246 ( 1.392 -7.062 -4.235) 8.352 12.246 ( 1.392 7.062 -4.235) 8.352 12.690 ( -5.152 -2.894 4.127) 7.208 12.690 ( -5.152 2.894 4.127) 7.208 13.542 ( 19.721 -9.927 -17.425) 28.127 13.542 ( 19.721 9.927 -17.425) 28.127 14.381 ( -1.107 -23.164 -3.955) 23.526 14.381 ( -1.107 23.164 -3.955) 23.526 16.211 ( 10.912 -12.473 -0.455) 16.578 16.211 ( 10.912 12.473 -0.455) 16.578 17.021 ( -8.780 -13.827 2.294) 16.538 17.021 ( -8.780 13.827 2.294) 16.538 18.317 ( -4.253 -9.812 -0.617) 10.712 18.317 ( -4.253 9.812 -0.617) 10.712 19.292 ( 7.982 -2.315 -9.502) 12.624 19.292 ( 7.982 2.315 -9.502) 12.624 19.723 ( -6.050 -5.784 -1.161) 8.450 19.723 ( -6.050 5.784 -1.161) 8.450 21.314 ( -23.929 -5.387 -2.873) 24.695 21.314 ( -23.929 5.387 -2.873) 24.695 23.322 ( 37.888 -14.928 18.987) 44.932 23.322 ( 37.888 14.928 18.987) 44.932 26.196 ( -11.335 -3.681 -4.130) 12.613 26.196 ( -11.335 3.681 -4.130) 12.613 ======================= Grid point 69 (29/90) ======================= q-point: ( 0.33 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( 14.307 -8.818 -4.936) 17.516 1.590 ( 14.307 8.818 -4.936) 17.516 1.675 ( 6.082 -13.460 1.626) 14.859 1.675 ( 6.082 13.460 1.626) 14.859 1.966 ( 1.825 -7.666 1.041) 7.949 1.966 ( 1.825 7.666 1.041) 7.949 2.166 ( 1.195 -10.611 -0.830) 10.710 2.166 ( 1.195 10.611 -0.830) 10.710 3.015 ( 14.579 -5.486 -12.046) 19.691 3.015 ( 14.579 5.486 -12.046) 19.691 3.319 ( 6.502 -8.271 -0.489) 10.533 3.319 ( 6.502 8.271 -0.489) 10.533 3.600 ( 0.911 -11.366 0.313) 11.406 3.600 ( 0.911 11.366 0.313) 11.406 3.739 ( 9.444 -7.493 3.674) 12.603 3.739 ( 9.444 7.493 3.674) 12.603 4.013 ( 4.522 -9.905 0.107) 10.889 4.013 ( 4.522 9.905 0.107) 10.889 4.428 ( 15.026 -2.989 -5.782) 16.375 4.428 ( 15.026 2.989 -5.782) 16.375 5.012 ( -1.421 -1.311 -0.446) 1.985 5.012 ( -1.421 1.311 -0.446) 1.985 5.333 ( -4.594 -4.734 4.864) 8.196 5.333 ( -4.594 4.734 4.864) 8.196 5.445 ( 9.376 -8.317 -11.473) 16.992 5.445 ( 9.376 8.317 -11.473) 16.992 5.920 ( 2.784 -10.909 0.251) 11.261 5.920 ( 2.784 10.909 0.251) 11.261 6.530 ( 1.917 -4.773 14.078) 14.988 6.530 ( 1.917 4.773 14.078) 14.988 6.752 ( -0.071 -2.412 5.789) 6.272 6.752 ( -0.071 2.412 5.789) 6.272 7.051 ( -3.115 -10.122 0.063) 10.591 7.051 ( -3.115 10.122 0.063) 10.591 7.837 ( -17.029 -1.679 3.640) 17.495 7.837 ( -17.029 1.679 3.640) 17.495 8.861 ( 26.997 -1.960 -7.331) 28.043 8.861 ( 26.997 1.960 -7.331) 28.043 9.266 ( 5.770 -7.307 0.927) 9.356 9.266 ( 5.770 7.307 0.927) 9.356 9.626 ( -4.820 -10.561 9.873) 15.240 9.626 ( -4.820 10.561 9.873) 15.240 9.935 ( 10.983 -11.010 2.737) 15.790 9.935 ( 10.983 11.010 2.737) 15.790 10.837 ( -17.792 -5.163 -7.169) 19.865 10.837 ( -17.792 5.163 -7.169) 19.865 11.020 ( -14.102 -9.522 1.543) 17.086 11.020 ( -14.102 9.522 1.543) 17.086 12.284 ( 2.623 -4.685 -6.309) 8.284 12.284 ( 2.623 4.685 -6.309) 8.284 12.584 ( -5.356 -3.506 1.796) 6.649 12.584 ( -5.356 3.506 1.796) 6.649 13.871 ( 13.761 -15.599 -14.959) 25.622 13.871 ( 13.761 15.599 -14.959) 25.622 14.338 ( -3.428 -21.117 -5.019) 21.974 14.338 ( -3.428 21.117 -5.019) 21.974 16.434 ( 10.844 -19.734 -6.445) 23.421 16.434 ( 10.844 19.734 -6.445) 23.421 16.900 ( -3.647 -18.626 2.600) 19.157 16.900 ( -3.647 18.626 2.600) 19.157 18.289 ( 1.910 -11.852 -6.478) 13.641 18.289 ( 1.910 11.852 -6.478) 13.641 19.266 ( -11.954 -2.266 -14.918) 19.250 19.266 ( -11.954 2.266 -14.918) 19.250 19.726 ( 7.895 -3.551 0.369) 8.665 19.726 ( 7.895 3.551 0.369) 8.665 20.869 ( -20.211 -3.198 3.993) 20.848 20.869 ( -20.211 3.198 3.993) 20.848 24.089 ( 38.994 -11.395 11.815) 42.308 24.089 ( 38.994 11.395 11.815) 42.308 25.899 ( -19.060 -4.072 -2.052) 19.598 25.899 ( -19.060 4.072 -2.052) 19.598 ======================= Grid point 71 (30/90) ======================= q-point: ( 0.44 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( 2.107 -12.011 -0.768) 12.219 1.735 ( 2.107 12.011 -0.768) 12.219 1.828 ( 7.037 -11.144 -0.183) 13.181 1.828 ( 7.037 11.144 -0.183) 13.181 1.980 ( -0.399 -4.194 -4.201) 5.950 1.980 ( -0.399 4.194 -4.201) 5.950 2.163 ( -0.879 -9.054 -0.683) 9.122 2.163 ( -0.879 9.054 -0.683) 9.122 3.254 ( 7.874 -10.117 -8.493) 15.378 3.254 ( 7.874 10.117 -8.493) 15.378 3.395 ( 2.092 -6.977 -1.892) 7.525 3.395 ( 2.092 6.977 -1.892) 7.525 3.596 ( -0.274 -9.556 -3.938) 10.339 3.596 ( -0.274 9.556 -3.938) 10.339 3.744 ( -3.590 -10.823 1.794) 11.543 3.744 ( -3.590 10.823 1.794) 11.543 4.313 ( 18.644 -9.574 -5.035) 21.555 4.313 ( 18.644 9.574 -5.035) 21.555 4.585 ( -3.659 -4.861 -12.074) 13.521 4.585 ( -3.659 4.861 -12.074) 13.521 4.984 ( 1.908 -3.720 5.449) 6.868 4.984 ( 1.908 3.720 5.449) 6.868 5.201 ( -6.250 -3.886 7.328) 10.385 5.201 ( -6.250 3.886 7.328) 10.385 5.661 ( 8.829 -6.439 -17.563) 20.686 5.661 ( 8.829 6.439 -17.563) 20.686 5.933 ( -1.864 -2.486 -5.462) 6.284 5.933 ( -1.864 2.486 -5.462) 6.284 6.570 ( 3.109 -5.766 13.437) 14.949 6.570 ( 3.109 5.766 13.437) 14.949 6.746 ( -2.909 -9.203 9.882) 13.813 6.746 ( -2.909 9.203 9.882) 13.813 7.050 ( 4.085 -5.213 3.370) 7.431 7.050 ( 4.085 5.213 3.370) 7.431 7.531 ( -11.948 -2.284 11.606) 16.813 7.531 ( -11.948 2.284 11.606) 16.813 9.025 ( 0.485 -7.366 -6.541) 9.863 9.025 ( 0.485 7.366 -6.541) 9.863 9.483 ( -4.128 -11.102 8.041) 14.316 9.483 ( -4.128 11.102 8.041) 14.316 9.741 ( 28.113 -2.934 -4.424) 28.610 9.741 ( 28.113 2.934 -4.424) 28.610 10.186 ( 3.681 -8.709 0.527) 9.470 10.186 ( 3.681 8.709 0.527) 9.470 10.477 ( -11.103 -6.770 -1.144) 13.055 10.477 ( -11.103 6.770 -1.144) 13.055 10.725 ( -14.741 -12.147 7.115) 20.383 10.725 ( -14.741 12.147 7.115) 20.383 12.341 ( 2.542 -5.404 -6.354) 8.720 12.341 ( 2.542 5.404 -6.354) 8.720 12.492 ( -3.425 -5.406 -0.750) 6.444 12.492 ( -3.425 5.406 -0.750) 6.444 14.093 ( 9.112 -18.739 -10.720) 23.433 14.093 ( 9.112 18.739 -10.720) 23.433 14.245 ( -6.011 -19.389 -6.906) 21.442 14.245 ( -6.011 19.389 -6.906) 21.442 16.596 ( 4.668 -25.759 -9.725) 27.927 16.596 ( 4.668 25.759 -9.725) 27.927 16.861 ( -0.773 -24.016 2.723) 24.182 16.861 ( -0.773 24.016 2.723) 24.182 18.385 ( 6.147 -11.954 -17.151) 21.791 18.385 ( 6.147 11.954 -17.151) 21.791 18.982 ( -12.235 -10.320 -7.355) 17.615 18.982 ( -12.235 10.320 -7.355) 17.615 19.906 ( 7.315 -2.616 -6.976) 10.441 19.906 ( 7.315 2.616 -6.976) 10.441 20.558 ( -10.026 -0.850 11.431) 15.229 20.558 ( -10.026 0.850 11.431) 15.229 24.818 ( 34.315 -6.706 5.323) 35.367 24.818 ( 34.315 6.706 5.323) 35.367 25.444 ( -27.013 -4.243 1.544) 27.388 25.444 ( -27.013 4.243 1.544) 27.388 ======================= Grid point 90 (31/90) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( 0.000 0.000 15.329) 15.329 1.022 ( 0.000 0.000 19.136) 19.136 1.440 ( 0.000 0.000 15.168) 15.168 1.485 ( 0.000 0.000 26.545) 26.545 1.494 ( 0.000 0.000 16.431) 16.431 1.931 ( 0.000 0.000 -0.066) 0.066 2.144 ( 0.000 0.000 -8.798) 8.798 2.200 ( 0.000 0.000 3.526) 3.526 2.277 ( 0.000 0.000 20.427) 20.427 2.600 ( 0.000 0.000 1.807) 1.807 2.835 ( 0.000 0.000 -18.411) 18.411 2.985 ( 0.000 0.000 1.558) 1.558 2.997 ( 0.000 0.000 10.251) 10.251 3.131 ( 0.000 0.000 4.490) 4.490 3.295 ( 0.000 0.000 9.762) 9.762 3.307 ( 0.000 0.000 11.740) 11.740 3.356 ( 0.000 0.000 1.973) 1.973 4.112 ( 0.000 0.000 -6.258) 6.258 4.239 ( 0.000 0.000 -2.976) 2.976 4.260 ( 0.000 0.000 -12.648) 12.648 4.802 ( 0.000 0.000 12.396) 12.396 5.200 ( 0.000 0.000 16.616) 16.616 5.218 ( 0.000 0.000 7.465) 7.465 5.466 ( 0.000 0.000 -5.016) 5.016 5.717 ( 0.000 0.000 2.252) 2.252 5.804 ( 0.000 0.000 8.398) 8.398 5.959 ( 0.000 0.000 -0.496) 0.496 5.965 ( 0.000 0.000 4.361) 4.361 6.380 ( 0.000 0.000 -4.288) 4.288 6.650 ( 0.000 0.000 -5.763) 5.763 6.706 ( 0.000 0.000 -1.878) 1.878 6.899 ( 0.000 0.000 -5.035) 5.035 6.943 ( 0.000 0.000 1.215) 1.215 7.157 ( 0.000 0.000 23.161) 23.161 7.301 ( 0.000 0.000 -6.609) 6.609 7.502 ( 0.000 0.000 17.607) 17.607 8.262 ( 0.000 0.000 -7.577) 7.577 8.309 ( 0.000 0.000 -21.502) 21.502 8.733 ( 0.000 0.000 7.274) 7.274 9.041 ( 0.000 0.000 -8.134) 8.134 9.504 ( 0.000 0.000 -1.038) 1.038 9.573 ( 0.000 0.000 5.740) 5.740 10.374 ( 0.000 0.000 2.543) 2.543 10.628 ( 0.000 0.000 5.666) 5.666 11.024 ( 0.000 0.000 -7.109) 7.109 11.055 ( 0.000 0.000 -11.810) 11.810 11.249 ( 0.000 0.000 -10.275) 10.275 11.318 ( 0.000 0.000 2.042) 2.042 11.800 ( 0.000 0.000 -10.956) 10.956 12.045 ( 0.000 0.000 -3.441) 3.441 12.786 ( 0.000 0.000 1.915) 1.915 12.921 ( 0.000 0.000 8.022) 8.022 13.016 ( 0.000 0.000 1.200) 1.200 13.065 ( 0.000 0.000 -0.278) 0.278 13.732 ( 0.000 0.000 0.323) 0.323 14.953 ( 0.000 0.000 -10.866) 10.866 16.019 ( 0.000 0.000 -3.303) 3.303 16.094 ( 0.000 0.000 -1.279) 1.279 17.276 ( 0.000 0.000 -2.872) 2.872 17.501 ( 0.000 0.000 7.430) 7.430 18.064 ( 0.000 0.000 -5.470) 5.470 18.856 ( 0.000 0.000 2.167) 2.167 19.048 ( 0.000 0.000 11.711) 11.711 19.078 ( 0.000 0.000 -2.267) 2.267 19.639 ( 0.000 0.000 -11.340) 11.340 19.969 ( 0.000 0.000 -2.294) 2.294 21.457 ( 0.000 0.000 -24.198) 24.198 21.669 ( 0.000 0.000 -22.633) 22.633 22.743 ( 0.000 0.000 38.168) 38.168 23.718 ( 0.000 0.000 29.066) 29.066 26.223 ( 0.000 0.000 -12.309) 12.309 26.251 ( 0.000 0.000 -9.260) 9.260 ======================= Grid point 91 (32/90) ======================= q-point: ( 0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( 9.068 0.000 14.064) 16.734 0.996 ( -0.022 0.000 15.284) 15.284 1.401 ( 1.764 0.000 13.647) 13.761 1.560 ( 5.694 0.000 12.003) 13.285 1.727 ( 13.182 0.000 18.049) 22.350 1.970 ( 3.908 0.000 -0.891) 4.009 2.136 ( -0.617 0.000 -8.364) 8.387 2.302 ( 3.060 0.000 15.073) 15.380 2.323 ( 11.348 0.000 0.680) 11.368 2.646 ( 4.953 0.000 3.531) 6.083 2.850 ( 2.466 0.000 -17.399) 17.573 2.998 ( -1.218 0.000 2.690) 2.953 3.065 ( 6.537 0.000 9.039) 11.155 3.319 ( 16.172 0.000 7.035) 17.636 3.351 ( 7.300 0.000 9.003) 11.591 3.400 ( 8.832 0.000 7.829) 11.803 3.443 ( 9.772 0.000 -0.281) 9.776 4.186 ( 6.383 0.000 -4.160) 7.619 4.197 ( -5.424 0.000 -11.730) 12.924 4.264 ( 1.319 0.000 -2.373) 2.715 4.820 ( 2.067 0.000 7.750) 8.021 5.047 ( -9.763 0.000 13.655) 16.786 5.224 ( -0.820 0.000 8.590) 8.629 5.410 ( -5.019 0.000 -6.032) 7.847 5.603 ( -3.777 0.000 3.050) 4.855 5.661 ( -17.377 0.000 -0.373) 17.381 5.822 ( 1.541 0.000 8.848) 8.981 6.158 ( 6.649 0.000 3.051) 7.315 6.358 ( -2.902 0.000 -5.584) 6.293 6.838 ( -5.570 0.000 -4.727) 7.305 6.917 ( -3.023 0.000 -2.087) 3.673 6.925 ( 20.174 0.000 1.532) 20.232 7.075 ( 14.918 0.000 8.670) 17.255 7.281 ( 24.913 0.000 11.574) 27.471 7.342 ( 4.447 0.000 -2.615) 5.159 7.481 ( 5.480 0.000 15.527) 16.465 8.139 ( -9.020 0.000 -5.528) 10.579 8.185 ( -10.422 0.000 -17.641) 20.490 8.791 ( 5.120 0.000 7.764) 9.301 9.157 ( 10.303 0.000 -7.250) 12.598 9.624 ( 4.892 0.000 4.784) 6.843 9.734 ( 14.811 0.000 -3.124) 15.137 10.257 ( -11.395 0.000 2.784) 11.730 10.531 ( -9.027 0.000 8.668) 12.515 10.943 ( -12.650 0.000 -2.179) 12.836 11.032 ( -2.699 0.000 -11.272) 11.591 11.102 ( -2.190 0.000 -7.660) 7.966 11.191 ( -5.719 0.000 -11.073) 12.463 12.060 ( 1.281 0.000 -3.331) 3.568 12.246 ( 27.749 0.000 -16.810) 32.444 12.739 ( -4.622 0.000 0.662) 4.669 12.839 ( -6.657 0.000 4.207) 7.875 12.967 ( -3.132 0.000 3.068) 4.384 13.098 ( 3.349 0.000 -0.714) 3.424 13.796 ( 5.295 0.000 -0.221) 5.299 14.933 ( -2.155 0.000 -11.284) 11.488 16.022 ( -0.115 0.000 -4.168) 4.169 16.089 ( -0.604 0.000 -1.570) 1.682 17.179 ( -9.885 0.000 2.519) 10.201 17.402 ( -5.590 0.000 6.975) 8.938 18.030 ( -3.351 0.000 -5.344) 6.308 18.677 ( -11.275 0.000 3.371) 11.768 19.065 ( -1.750 0.000 -4.705) 5.020 19.211 ( 11.531 0.000 8.226) 14.165 19.537 ( -10.386 0.000 -13.977) 17.413 19.956 ( -0.763 0.000 -1.252) 1.466 21.343 ( -10.500 0.000 -17.362) 20.290 21.543 ( -12.298 0.000 -19.883) 23.379 22.944 ( 19.388 0.000 35.026) 40.033 23.884 ( 15.229 0.000 26.007) 30.138 26.143 ( -6.451 0.000 -10.050) 11.943 26.251 ( -1.942 0.000 -10.409) 10.588 ======================= Grid point 92 (33/90) ======================= q-point: ( 0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( 5.718 0.000 4.998) 7.594 1.077 ( 12.301 0.000 11.660) 16.950 1.535 ( 11.745 0.000 3.102) 12.148 1.683 ( 6.489 0.000 5.145) 8.281 1.885 ( 2.526 0.000 11.197) 11.478 2.057 ( 2.845 0.000 -3.160) 4.252 2.135 ( 1.812 0.000 -8.588) 8.777 2.367 ( 4.425 0.000 4.284) 6.159 2.563 ( 10.623 0.000 -10.235) 14.752 2.734 ( 2.752 0.000 -0.447) 2.788 2.937 ( -3.099 0.000 3.934) 5.008 3.020 ( 14.349 0.000 -8.566) 16.711 3.249 ( 11.374 0.000 4.945) 12.402 3.444 ( 4.087 0.000 6.086) 7.331 3.571 ( 8.209 0.000 9.382) 12.466 3.738 ( 17.816 0.000 6.083) 18.826 3.772 ( 21.233 0.000 -3.297) 21.488 4.070 ( -4.274 0.000 -10.482) 11.320 4.288 ( 1.349 0.000 -0.312) 1.384 4.314 ( 6.240 0.000 -0.502) 6.261 4.860 ( 2.407 0.000 4.244) 4.880 4.999 ( 5.832 0.000 4.811) 7.560 5.209 ( -0.148 0.000 7.093) 7.094 5.265 ( -14.418 0.000 -3.733) 14.894 5.329 ( -10.586 0.000 -4.846) 11.642 5.645 ( 5.437 0.000 0.866) 5.506 5.880 ( 5.563 0.000 11.205) 12.510 6.182 ( -9.014 0.000 -12.269) 15.225 6.250 ( -3.554 0.000 -0.442) 3.581 6.690 ( -9.426 0.000 -4.355) 10.384 6.883 ( 1.329 0.000 0.987) 1.655 7.114 ( 4.164 0.000 24.189) 24.545 7.179 ( 2.834 0.000 21.696) 21.880 7.453 ( 5.678 0.000 3.113) 6.475 7.877 ( 21.700 0.000 -12.969) 25.280 7.968 ( 2.637 0.000 -1.626) 3.098 7.975 ( -9.824 0.000 -8.519) 13.004 8.120 ( 45.609 0.000 3.643) 45.754 8.903 ( 5.804 0.000 7.209) 9.255 9.395 ( 13.093 0.000 -3.243) 13.488 9.724 ( 2.674 0.000 3.019) 4.033 9.818 ( -9.170 0.000 9.150) 12.954 9.996 ( -11.352 0.000 -2.716) 11.673 10.345 ( -6.713 0.000 11.202) 13.059 10.791 ( -2.438 0.000 -8.360) 8.708 10.934 ( -7.560 0.000 -6.591) 10.029 11.033 ( -10.032 0.000 -11.975) 15.622 11.120 ( 1.732 0.000 -6.148) 6.387 12.089 ( 1.619 0.000 -3.289) 3.666 12.441 ( -8.206 0.000 -5.170) 9.698 12.616 ( -7.399 0.000 -2.565) 7.831 12.781 ( -4.070 0.000 -1.670) 4.400 13.095 ( 21.065 0.000 -14.265) 25.441 13.195 ( 6.385 0.000 -1.786) 6.630 13.899 ( 4.921 0.000 -2.534) 5.535 14.866 ( -4.750 0.000 -12.539) 13.409 15.993 ( -2.875 0.000 -5.082) 5.839 16.066 ( -1.773 0.000 -2.448) 3.023 17.035 ( -0.992 0.000 4.608) 4.713 17.341 ( -0.949 0.000 2.508) 2.682 17.937 ( -5.998 0.000 -4.719) 7.632 18.499 ( -6.431 0.000 -1.449) 6.592 18.984 ( -6.883 0.000 -11.604) 13.492 19.230 ( -20.724 0.000 -20.026) 28.818 19.466 ( 14.267 0.000 6.088) 15.511 19.970 ( 2.832 0.000 2.108) 3.530 21.088 ( -14.651 0.000 -7.750) 16.575 21.225 ( -18.901 0.000 -12.970) 22.923 23.456 ( 31.508 0.000 27.817) 42.031 24.251 ( 20.982 0.000 19.772) 28.831 25.978 ( -10.402 0.000 -7.728) 12.959 26.153 ( -8.338 0.000 -9.349) 12.527 ======================= Grid point 93 (34/90) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( 12.126 0.000 -4.845) 13.058 1.310 ( 10.854 0.000 10.354) 15.000 1.777 ( 7.873 0.000 4.108) 8.880 1.808 ( 6.059 0.000 0.474) 6.078 1.871 ( -0.223 0.000 0.434) 0.488 2.018 ( -5.648 0.000 -7.925) 9.732 2.232 ( 6.374 0.000 -8.072) 10.285 2.515 ( 9.522 0.000 -4.100) 10.367 2.638 ( 0.396 0.000 -9.510) 9.519 2.885 ( 12.194 0.000 -10.460) 16.066 2.929 ( 2.691 0.000 5.904) 6.489 3.296 ( 10.041 0.000 -12.396) 15.953 3.409 ( 6.100 0.000 7.618) 9.759 3.479 ( -1.990 0.000 -2.892) 3.510 3.740 ( -10.282 0.000 -1.036) 10.334 3.776 ( 12.968 0.000 4.875) 13.854 4.048 ( 1.503 0.000 -10.183) 10.293 4.208 ( 7.914 0.000 -5.705) 9.756 4.439 ( 16.709 0.000 1.968) 16.825 4.456 ( 8.681 0.000 0.962) 8.734 4.953 ( 5.343 0.000 0.240) 5.348 4.963 ( -9.761 0.000 3.561) 10.390 5.146 ( 6.832 0.000 -1.251) 6.946 5.194 ( -6.089 0.000 -5.516) 8.216 5.247 ( 4.647 0.000 6.090) 7.661 5.713 ( 1.691 0.000 -0.638) 1.807 5.897 ( -16.585 0.000 -16.728) 23.555 6.078 ( 13.145 0.000 9.995) 16.513 6.159 ( -7.765 0.000 -10.191) 12.812 6.527 ( -5.865 0.000 4.392) 7.327 6.951 ( 4.870 0.000 5.322) 7.214 7.224 ( 1.861 0.000 22.913) 22.988 7.255 ( 10.303 0.000 23.879) 26.007 7.523 ( 0.709 0.000 7.842) 7.874 7.692 ( -13.287 0.000 -1.639) 13.388 7.820 ( -6.065 0.000 2.571) 6.587 8.608 ( 33.942 0.000 -8.506) 34.992 8.990 ( 40.503 0.000 -2.190) 40.562 9.015 ( 5.654 0.000 4.529) 7.245 9.536 ( -13.893 0.000 10.704) 17.538 9.588 ( -4.937 0.000 6.070) 7.824 9.692 ( 6.342 0.000 0.899) 6.405 9.813 ( -8.239 0.000 -5.959) 10.169 10.348 ( 3.526 0.000 -1.001) 3.666 10.717 ( -14.760 0.000 -2.581) 14.984 10.721 ( -6.670 0.000 2.619) 7.166 10.848 ( -5.921 0.000 -1.712) 6.164 11.150 ( 0.475 0.000 -5.269) 5.290 12.121 ( 1.298 0.000 -3.233) 3.484 12.239 ( -9.381 0.000 -4.559) 10.430 12.477 ( -5.783 0.000 -6.599) 8.774 12.658 ( -7.221 0.000 -1.753) 7.431 13.339 ( 7.887 0.000 -2.963) 8.425 13.487 ( 13.746 0.000 -16.317) 21.336 14.019 ( 9.033 0.000 -10.534) 13.877 14.741 ( -8.104 0.000 -14.721) 16.804 15.935 ( -2.204 0.000 -5.568) 5.989 16.019 ( -2.923 0.000 -3.760) 4.762 17.165 ( 12.889 0.000 -4.532) 13.663 17.373 ( 4.962 0.000 -0.660) 5.005 17.798 ( -8.176 0.000 -3.438) 8.870 18.429 ( -0.681 0.000 -8.361) 8.389 18.733 ( -27.745 0.000 -25.785) 37.877 18.812 ( -11.272 0.000 -17.247) 20.604 19.766 ( 16.159 0.000 4.363) 16.738 20.075 ( 7.655 0.000 5.300) 9.311 20.793 ( -14.912 0.000 -0.752) 14.931 20.839 ( -19.698 0.000 -5.532) 20.461 24.129 ( 35.616 0.000 18.005) 39.909 24.681 ( 22.372 0.000 12.131) 25.450 25.728 ( -15.336 0.000 -4.348) 15.941 25.914 ( -15.945 0.000 -6.629) 17.268 ======================= Grid point 94 (35/90) ======================= q-point: ( 0.44 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( 9.533 0.000 -2.128) 9.768 1.485 ( 6.234 0.000 9.796) 11.611 1.761 ( -1.475 0.000 1.479) 2.089 1.856 ( -8.337 0.000 -9.035) 12.294 1.917 ( 3.081 0.000 -4.730) 5.645 1.944 ( 1.612 0.000 -5.052) 5.303 2.365 ( 7.048 0.000 -6.467) 9.566 2.500 ( -6.199 0.000 -5.288) 8.147 2.883 ( 17.225 0.000 -10.125) 19.980 3.016 ( 3.977 0.000 3.448) 5.263 3.150 ( 13.333 0.000 -14.136) 19.432 3.298 ( -1.631 0.000 2.323) 2.838 3.332 ( -11.184 0.000 -6.540) 12.956 3.504 ( -14.405 0.000 -8.135) 16.543 3.665 ( 15.128 0.000 -6.705) 16.547 3.927 ( -10.856 0.000 -8.068) 13.526 4.011 ( 9.968 0.000 -5.042) 11.170 4.181 ( -7.675 0.000 -12.376) 14.563 4.635 ( 8.266 0.000 -1.351) 8.376 4.692 ( 4.867 0.000 -2.502) 5.473 4.998 ( 7.040 0.000 8.349) 10.921 5.016 ( 1.209 0.000 0.434) 1.285 5.105 ( 0.400 0.000 2.471) 2.503 5.217 ( -2.259 0.000 4.898) 5.394 5.366 ( 7.993 0.000 -2.541) 8.387 5.586 ( -14.119 0.000 -12.886) 19.115 5.785 ( 7.053 0.000 -7.879) 10.575 5.970 ( -10.501 0.000 -13.898) 17.419 6.313 ( 9.469 0.000 9.440) 13.371 6.441 ( -4.264 0.000 10.107) 10.970 7.071 ( 7.375 0.000 7.052) 10.204 7.211 ( -4.634 0.000 15.424) 16.105 7.484 ( -1.967 0.000 10.327) 10.513 7.491 ( -2.811 0.000 12.027) 12.351 7.497 ( 9.506 0.000 16.542) 19.079 7.698 ( -7.704 0.000 12.521) 14.701 9.131 ( 6.197 0.000 2.918) 6.850 9.154 ( 18.934 0.000 -5.257) 19.651 9.266 ( -7.887 0.000 7.170) 10.659 9.387 ( -9.714 0.000 5.418) 11.123 9.716 ( 10.342 0.000 -7.580) 12.822 9.769 ( 23.396 0.000 -4.795) 23.883 9.830 ( -0.120 0.000 -5.144) 5.145 10.262 ( -16.462 0.000 -9.240) 18.878 10.431 ( -6.190 0.000 3.265) 6.999 10.536 ( -10.639 0.000 8.956) 13.907 10.906 ( 9.838 0.000 9.730) 13.836 11.092 ( -6.944 0.000 2.713) 7.455 12.121 ( -2.312 0.000 -6.796) 7.178 12.122 ( -1.078 0.000 -4.950) 5.066 12.432 ( 1.679 0.000 -7.703) 7.884 12.520 ( -6.377 0.000 -4.854) 8.014 13.489 ( 6.963 0.000 -4.209) 8.136 13.586 ( -1.800 0.000 -6.976) 7.204 14.272 ( 14.863 0.000 -18.855) 24.008 14.543 ( -12.100 0.000 -17.642) 21.393 15.922 ( 0.832 0.000 -5.666) 5.727 15.960 ( -2.774 0.000 -4.980) 5.701 17.425 ( 10.667 0.000 -3.222) 11.143 17.620 ( 22.004 0.000 -15.011) 26.637 17.620 ( -9.663 0.000 -2.239) 9.919 18.149 ( -29.839 0.000 -24.642) 38.699 18.470 ( 4.773 0.000 -15.035) 15.774 18.610 ( -9.145 0.000 -18.874) 20.973 20.094 ( 17.058 0.000 2.719) 17.274 20.254 ( 9.336 0.000 5.948) 11.070 20.469 ( -16.912 0.000 -0.487) 16.919 20.515 ( -12.984 0.000 3.538) 13.457 24.807 ( 32.254 0.000 8.317) 33.309 25.118 ( 21.964 0.000 4.491) 22.419 25.357 ( -23.149 0.000 0.802) 23.163 25.542 ( -21.019 0.000 -2.020) 21.116 ======================= Grid point 99 (36/90) ======================= q-point: ( 0.00 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( 0.000 14.970 11.956) 19.158 1.091 ( 0.000 6.027 17.819) 18.810 1.434 ( 0.000 -2.541 18.653) 18.825 1.435 ( 0.000 -5.224 21.351) 21.981 1.562 ( 0.000 4.539 15.698) 16.341 1.886 ( 0.000 -11.695 -4.740) 12.619 1.991 ( 0.000 8.420 0.366) 8.428 2.291 ( 0.000 2.259 17.507) 17.652 2.328 ( 0.000 1.971 5.969) 6.286 2.629 ( 0.000 -5.004 -6.421) 8.140 2.842 ( 0.000 -6.952 6.971) 9.845 2.970 ( 0.000 -2.240 9.061) 9.334 3.032 ( 0.000 14.000 -9.215) 16.760 3.069 ( 0.000 3.592 -0.585) 3.639 3.199 ( 0.000 -1.262 6.632) 6.751 3.666 ( 0.000 18.212 -8.172) 19.962 3.743 ( 0.000 22.452 7.692) 23.733 3.907 ( 0.000 -11.455 -6.576) 13.208 4.217 ( 0.000 -3.962 -12.147) 12.777 4.306 ( 0.000 1.494 -0.454) 1.561 4.861 ( 0.000 3.133 10.490) 10.948 5.175 ( 0.000 -13.134 3.754) 13.660 5.224 ( 0.000 3.246 10.523) 11.012 5.294 ( 0.000 -4.937 4.259) 6.520 5.610 ( 0.000 0.734 0.093) 0.740 5.738 ( 0.000 -5.114 8.470) 9.894 6.001 ( 0.000 3.905 1.522) 4.191 6.176 ( 0.000 7.284 1.480) 7.432 6.398 ( 0.000 1.561 -2.127) 2.638 6.650 ( 0.000 0.025 -5.658) 5.658 6.671 ( 0.000 -4.556 0.191) 4.560 6.701 ( 0.000 -14.682 2.816) 14.950 6.981 ( 0.000 6.356 -4.557) 7.821 7.148 ( 0.000 -0.658 20.861) 20.871 7.269 ( 0.000 -2.864 -3.452) 4.485 7.348 ( 0.000 -9.273 23.671) 25.422 8.285 ( 0.000 3.806 -8.656) 9.455 8.328 ( 0.000 1.401 -19.820) 19.869 9.056 ( 0.000 10.171 -2.270) 10.422 9.219 ( 0.000 23.116 -10.101) 25.227 9.439 ( 0.000 -6.781 1.877) 7.036 9.640 ( 0.000 6.867 2.158) 7.198 10.183 ( 0.000 -14.886 -2.454) 15.087 10.340 ( 0.000 -19.281 3.293) 19.560 11.138 ( 0.000 4.966 -9.775) 10.964 11.201 ( 0.000 0.229 -11.191) 11.194 11.259 ( 0.000 16.918 -6.909) 18.274 11.611 ( 0.000 17.321 -1.690) 17.403 11.752 ( 0.000 -4.243 -8.661) 9.644 12.039 ( 0.000 -1.627 -4.476) 4.763 12.688 ( 0.000 -5.085 1.944) 5.444 12.844 ( 0.000 -10.567 -3.500) 11.132 13.006 ( 0.000 4.780 7.080) 8.543 13.119 ( 0.000 0.609 4.625) 4.665 13.879 ( 0.000 13.573 -1.922) 13.708 14.734 ( 0.000 -18.534 -10.596) 21.349 16.054 ( 0.000 2.286 0.506) 2.342 16.092 ( 0.000 -0.106 2.047) 2.050 17.293 ( 0.000 1.415 -1.798) 2.288 17.420 ( 0.000 -5.184 4.574) 6.914 18.241 ( 0.000 13.826 -2.492) 14.049 18.871 ( 0.000 -12.422 4.663) 13.269 18.889 ( 0.000 2.912 0.392) 2.938 19.061 ( 0.000 -3.694 0.630) 3.747 19.690 ( 0.000 4.465 -7.359) 8.607 19.920 ( 0.000 -4.328 -2.495) 4.995 21.502 ( 0.000 3.485 -23.461) 23.718 21.641 ( 0.000 -2.411 -22.090) 22.221 22.842 ( 0.000 8.950 38.349) 39.380 23.481 ( 0.000 -18.024 36.244) 40.478 26.229 ( 0.000 0.479 -11.727) 11.737 26.248 ( 0.000 -0.269 -9.624) 9.628 ======================= Grid point 100 (37/90) ======================= q-point: ( 0.11 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( 2.861 6.836 12.490) 14.523 1.140 ( 5.038 14.673 10.686) 18.838 1.320 ( 0.201 -7.075 14.604) 16.229 1.628 ( 6.919 2.751 11.105) 13.370 1.743 ( 13.491 0.435 16.059) 20.978 1.909 ( 2.460 -11.930 -5.211) 13.249 2.057 ( 3.261 8.952 -1.983) 9.731 2.317 ( 3.389 1.418 14.631) 15.085 2.384 ( 6.020 -0.273 5.320) 8.039 2.682 ( 6.341 -4.722 -4.114) 8.912 2.870 ( 1.667 -2.548 4.119) 5.122 3.034 ( 1.796 10.269 -6.710) 12.398 3.077 ( 9.232 -0.284 7.447) 11.864 3.209 ( 11.840 4.768 3.870) 13.338 3.327 ( 12.654 -1.197 4.588) 13.513 3.638 ( 1.645 17.759 -3.025) 18.090 3.781 ( 3.128 14.513 1.696) 14.943 3.951 ( 3.527 -12.508 -4.418) 13.726 4.168 ( -4.782 -3.075 -11.776) 13.077 4.331 ( 1.076 -1.111 0.366) 1.590 4.847 ( -0.834 0.518 7.266) 7.332 4.966 ( -8.724 -5.807 8.267) 13.348 5.249 ( -1.806 2.232 3.666) 4.656 5.342 ( 4.131 -6.216 3.650) 8.308 5.523 ( -7.383 1.799 1.609) 7.767 5.745 ( -0.198 -2.414 7.876) 8.240 5.803 ( -12.393 5.483 0.522) 13.562 6.267 ( 0.779 -2.965 -3.427) 4.599 6.338 ( 0.721 5.688 2.580) 6.287 6.716 ( 6.257 -11.330 3.061) 13.301 6.875 ( -3.830 3.344 -3.748) 6.316 7.004 ( 19.603 1.895 -0.358) 19.698 7.058 ( 10.311 -1.472 8.709) 13.577 7.165 ( 0.817 -8.803 0.072) 8.841 7.296 ( 23.150 1.554 11.992) 26.118 7.460 ( 10.908 -4.346 10.533) 15.773 8.198 ( -7.723 4.221 -8.276) 12.082 8.222 ( -8.885 2.795 -14.823) 17.507 9.082 ( -1.279 21.153 3.383) 21.460 9.210 ( 7.895 5.240 -5.887) 11.156 9.524 ( 5.950 -7.169 1.857) 9.500 9.814 ( 9.143 2.733 -0.390) 9.551 10.122 ( -3.103 -11.687 0.432) 12.100 10.356 ( -1.922 -10.795 5.923) 12.462 10.943 ( -14.981 4.653 -9.331) 18.253 11.092 ( -9.992 0.963 -11.703) 15.419 11.222 ( -4.830 7.926 -7.465) 11.911 11.300 ( -9.400 7.169 -6.400) 13.444 12.054 ( 3.276 0.461 -3.266) 4.649 12.233 ( 19.928 -2.866 -10.803) 22.848 12.693 ( 2.278 -1.025 -2.086) 3.255 12.815 ( -3.910 -3.793 -0.731) 5.496 13.006 ( 0.259 3.443 3.373) 4.827 13.100 ( 0.848 -0.114 1.226) 1.495 13.919 ( 3.300 11.654 -1.913) 12.262 14.720 ( -1.572 -18.005 -10.875) 21.093 16.026 ( -1.655 2.700 0.456) 3.200 16.153 ( 4.704 1.690 -0.259) 5.005 17.179 ( -11.646 0.998 2.177) 11.889 17.342 ( -4.874 -4.442 3.940) 7.682 18.190 ( -4.721 12.575 -2.506) 13.664 18.651 ( -11.883 -3.799 2.698) 12.764 19.018 ( 2.810 -2.575 -4.399) 5.820 19.133 ( 7.111 -5.664 1.448) 9.205 19.616 ( -7.170 5.976 -8.792) 12.822 19.890 ( -2.443 -5.502 -2.453) 6.501 21.385 ( -10.746 3.410 -17.370) 20.708 21.522 ( -11.607 -1.958 -19.210) 22.530 23.042 ( 19.322 8.958 35.186) 41.129 23.672 ( 17.705 -16.688 31.337) 39.674 26.161 ( -5.753 1.548 -9.966) 11.611 26.236 ( -2.578 -1.290 -10.264) 10.662 ======================= Grid point 101 (38/90) ======================= q-point: ( 0.22 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( 7.988 4.747 3.278) 9.853 1.283 ( 9.095 15.584 7.422) 19.510 1.429 ( 10.088 -7.822 3.441) 13.221 1.760 ( 6.530 2.565 4.926) 8.573 1.898 ( 2.149 0.076 6.353) 6.707 1.975 ( 3.583 -7.359 -3.166) 8.776 2.077 ( 0.035 2.210 -1.765) 2.829 2.370 ( 3.073 -1.427 4.689) 5.785 2.582 ( 11.953 -1.798 -4.531) 12.909 2.775 ( 0.373 -9.988 0.310) 10.000 2.920 ( 2.969 14.457 -2.591) 14.985 3.141 ( 10.346 7.711 -2.411) 13.127 3.287 ( 9.919 6.501 3.962) 12.504 3.445 ( 12.784 1.322 6.885) 14.580 3.612 ( 11.052 -2.288 2.968) 11.670 3.830 ( 13.618 5.552 -5.221) 15.606 3.863 ( 6.607 10.494 4.384) 13.153 4.023 ( 3.622 -15.230 -2.445) 15.845 4.067 ( -1.733 -1.353 -9.466) 9.718 4.336 ( 1.362 -5.565 2.681) 6.325 4.857 ( 3.791 0.732 5.143) 6.431 4.961 ( 4.576 -1.346 -0.495) 4.796 5.201 ( -2.349 0.694 1.236) 2.743 5.306 ( -11.535 2.525 -3.022) 12.189 5.470 ( 5.313 -3.594 4.756) 7.985 5.583 ( -7.129 10.688 -0.755) 12.870 5.786 ( 3.254 -6.551 9.555) 12.033 6.144 ( -9.740 -6.542 -8.443) 14.455 6.410 ( 1.695 12.220 -0.730) 12.358 6.733 ( -8.346 3.389 -3.739) 9.753 6.818 ( 3.928 -5.011 1.780) 6.611 7.038 ( 1.631 -6.735 17.627) 18.940 7.172 ( 3.283 0.120 20.872) 21.129 7.335 ( 4.467 -7.551 5.474) 10.341 7.892 ( 23.730 1.451 -11.320) 26.331 7.974 ( 7.194 -0.898 -7.205) 10.221 8.065 ( 3.870 5.429 -1.311) 6.795 8.124 ( 25.396 1.362 0.312) 25.434 9.082 ( 1.659 14.330 6.330) 15.753 9.446 ( 14.196 5.313 -0.421) 15.164 9.591 ( -2.669 -8.480 -0.083) 8.891 9.890 ( 1.520 -0.799 9.280) 9.438 9.995 ( -11.028 -0.073 4.454) 11.894 10.249 ( -7.176 -6.090 8.114) 12.426 10.746 ( -4.659 -0.075 -11.415) 12.329 10.930 ( -6.179 -3.406 -14.398) 16.034 11.068 ( -9.980 4.967 -7.708) 13.553 11.183 ( -4.268 2.815 -5.137) 7.248 12.097 ( 1.689 1.468 -2.657) 3.474 12.349 ( -4.564 -7.380 -3.126) 9.223 12.656 ( -8.132 3.101 -1.515) 8.834 12.777 ( -3.764 -1.062 -2.144) 4.460 13.160 ( 19.233 4.788 -14.547) 24.586 13.209 ( 8.764 1.304 -5.158) 10.252 13.977 ( 2.136 8.007 -2.791) 8.744 14.667 ( -3.962 -16.822 -11.816) 20.935 15.993 ( -1.765 5.753 -2.228) 6.417 16.255 ( 5.122 6.805 -3.528) 9.219 16.953 ( -8.325 -2.796 4.115) 9.698 17.269 ( -2.283 -6.721 2.137) 7.413 18.076 ( -6.416 10.474 -2.895) 12.620 18.446 ( -8.518 -4.807 -1.771) 9.940 19.006 ( -4.054 2.122 -11.547) 12.421 19.186 ( -8.738 -4.282 -13.308) 16.486 19.510 ( 2.718 4.685 -1.844) 5.722 19.862 ( 0.594 -8.744 -0.609) 8.786 21.129 ( -14.236 3.245 -7.430) 16.383 21.226 ( -17.232 -0.316 -11.166) 20.536 23.548 ( 30.792 8.397 27.385) 42.055 24.097 ( 24.095 -12.797 22.367) 35.279 26.007 ( -10.064 2.479 -7.820) 12.984 26.129 ( -8.599 -2.114 -8.998) 12.624 ======================= Grid point 102 (39/90) ======================= q-point: ( 0.33 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( 12.321 5.858 -5.381) 14.665 1.462 ( 8.115 12.293 7.251) 16.417 1.653 ( 10.873 -7.779 -3.326) 13.777 1.873 ( 0.091 -2.741 0.335) 2.763 1.893 ( 2.702 4.263 5.092) 7.170 2.001 ( -1.138 0.209 -5.555) 5.674 2.074 ( -0.421 -6.351 -6.161) 8.858 2.475 ( 7.284 -7.787 0.398) 10.670 2.781 ( 6.035 -6.311 -2.977) 9.225 2.840 ( 10.547 -0.119 -10.736) 15.051 2.955 ( 1.857 17.442 -5.998) 18.538 3.331 ( 5.140 3.239 -5.854) 8.437 3.437 ( 7.613 3.874 3.421) 9.202 3.626 ( -4.917 6.346 -1.070) 8.099 3.701 ( 4.013 -0.773 -0.141) 4.089 3.852 ( 2.260 5.382 1.522) 6.032 4.014 ( 0.542 -7.262 -6.154) 9.534 4.146 ( 8.561 -5.264 -5.378) 11.399 4.282 ( 15.195 -4.708 -2.118) 16.049 4.441 ( 8.296 -4.902 0.805) 9.669 4.967 ( 4.887 2.114 1.201) 5.458 4.986 ( -1.947 2.171 2.083) 3.584 5.162 ( 0.145 1.303 -4.626) 4.808 5.198 ( 2.563 1.297 -3.048) 4.188 5.452 ( -4.817 11.340 2.702) 12.613 5.559 ( 0.746 -7.863 -1.010) 7.963 5.902 ( 1.144 -6.712 0.998) 6.882 5.929 ( -4.432 -2.029 -4.080) 6.357 6.371 ( -5.293 12.835 -9.762) 16.972 6.622 ( -1.181 6.677 5.178) 8.532 6.898 ( 4.318 -4.337 4.274) 7.465 7.144 ( 6.747 -10.808 15.996) 20.450 7.229 ( 2.763 0.616 22.863) 23.038 7.360 ( -0.356 -6.948 10.911) 12.940 7.811 ( -9.003 5.523 1.223) 10.633 7.879 ( -6.064 3.560 3.179) 7.717 8.645 ( 32.131 3.243 -7.389) 33.129 8.839 ( 27.280 -6.204 -2.430) 28.082 9.183 ( 13.307 7.195 3.891) 15.620 9.433 ( -9.143 -6.221 4.836) 12.070 9.683 ( -5.839 6.144 10.325) 13.358 9.724 ( 1.675 5.429 -1.940) 6.003 9.890 ( -3.636 3.172 1.360) 5.013 10.259 ( 7.981 -8.487 2.007) 11.821 10.626 ( -10.385 -1.755 -3.790) 11.193 10.780 ( -8.482 -5.264 -5.363) 11.332 10.862 ( -10.391 7.525 -0.649) 12.846 11.131 ( -2.050 -2.414 -3.479) 4.704 12.128 ( 1.021 1.009 -3.446) 3.733 12.236 ( -4.114 -1.686 -4.398) 6.254 12.490 ( -8.050 2.541 -4.708) 9.665 12.648 ( -7.528 -1.554 -1.831) 7.902 13.387 ( 9.124 5.312 -9.134) 13.960 13.565 ( 17.547 4.134 -17.709) 25.270 14.010 ( 2.375 1.464 -6.684) 7.243 14.559 ( -7.114 -15.474 -13.652) 21.828 15.959 ( -1.449 9.473 -6.567) 11.617 16.329 ( 2.090 17.371 -3.494) 17.842 16.901 ( 2.595 -16.997 -4.033) 17.660 17.267 ( 2.287 -10.036 1.125) 10.355 17.954 ( -5.632 9.699 -4.463) 12.071 18.322 ( -4.182 -7.852 -9.006) 12.659 18.833 ( -22.361 7.136 -21.361) 31.737 18.873 ( -8.396 4.361 -17.164) 19.599 19.685 ( 11.113 -4.895 -0.158) 12.145 19.925 ( 5.376 -11.588 1.257) 12.836 20.861 ( -12.322 4.440 0.560) 13.109 20.889 ( -16.051 3.452 -1.870) 16.524 24.198 ( 34.083 6.263 17.315) 38.739 24.584 ( 24.903 -8.315 13.241) 29.405 25.759 ( -15.374 2.699 -4.508) 16.247 25.890 ( -15.761 -2.192 -6.132) 17.053 ======================= Grid point 103 (40/90) ======================= q-point: ( 0.44 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( 8.082 5.707 -2.790) 10.280 1.593 ( 7.205 7.853 4.261) 11.478 1.776 ( -5.860 2.258 -0.393) 6.292 1.822 ( 3.544 -5.322 -7.104) 9.558 1.928 ( -1.237 5.654 -2.159) 6.177 1.975 ( -0.656 0.866 -4.969) 5.087 2.074 ( 0.605 -13.917 -5.849) 15.108 2.600 ( 3.801 -15.844 3.858) 16.744 2.886 ( 1.924 11.175 -1.161) 11.399 3.042 ( 12.893 6.894 -13.522) 19.915 3.133 ( 14.831 -1.258 -14.357) 20.680 3.291 ( -8.878 2.464 -10.830) 14.219 3.430 ( -11.311 1.669 -5.168) 12.547 3.579 ( -2.503 5.584 4.376) 7.523 3.654 ( 3.281 -0.246 -5.021) 6.003 3.907 ( -3.062 -3.124 -5.659) 7.153 4.078 ( 7.674 5.953 -5.311) 11.070 4.199 ( -2.972 2.151 -11.104) 11.694 4.482 ( 5.814 -10.235 -3.082) 12.168 4.560 ( 2.226 -9.782 -3.105) 10.501 5.003 ( 2.943 3.352 3.475) 5.654 5.085 ( 5.413 0.513 4.218) 6.882 5.210 ( 3.494 1.147 0.739) 3.751 5.240 ( 0.440 4.855 -3.948) 6.273 5.367 ( -3.847 4.158 1.817) 5.949 5.560 ( 0.136 -10.021 -9.185) 13.594 5.719 ( -6.715 7.371 -8.355) 13.009 6.055 ( 4.179 -10.589 6.433) 13.076 6.272 ( -3.168 16.012 -10.035) 19.160 6.655 ( 2.406 10.607 10.678) 15.242 6.988 ( 5.244 -7.370 5.741) 10.714 7.125 ( -7.020 -12.606 2.906) 14.719 7.311 ( 3.495 -0.607 22.636) 22.912 7.439 ( 7.319 -3.621 18.935) 20.620 7.659 ( -5.453 6.342 10.246) 13.226 7.768 ( -4.996 3.131 12.179) 13.530 9.005 ( 0.777 -4.877 2.429) 5.504 9.075 ( 6.317 -5.735 1.843) 8.729 9.403 ( 6.307 7.381 -5.544) 11.179 9.488 ( -4.341 5.912 8.595) 11.299 9.686 ( 8.689 -2.401 -5.628) 10.628 9.728 ( 20.727 -0.521 -5.417) 21.430 9.968 ( -1.053 8.105 -4.964) 9.563 10.228 ( -15.938 -3.257 -8.573) 18.388 10.408 ( -3.127 0.906 4.899) 5.882 10.651 ( -10.018 8.934 7.911) 15.581 10.775 ( 7.368 -10.542 8.460) 15.395 11.049 ( -6.097 -4.970 4.175) 8.905 12.119 ( -0.620 2.517 -6.014) 6.549 12.233 ( 1.514 5.343 -5.316) 7.688 12.371 ( -3.107 -3.238 -7.106) 8.404 12.517 ( -4.778 -1.593 -4.725) 6.906 13.538 ( 5.266 7.771 -10.662) 14.206 13.747 ( 1.635 11.377 -6.575) 13.241 14.150 ( 11.690 -10.253 -16.304) 22.530 14.384 ( -10.719 -13.988 -16.402) 24.075 15.940 ( -0.499 11.719 -10.065) 15.456 16.347 ( 0.185 23.975 -0.885) 23.992 16.985 ( 3.559 -29.237 -12.395) 31.955 17.344 ( 4.010 -14.734 0.320) 15.273 17.875 ( -1.914 7.818 -11.796) 14.280 18.278 ( -0.373 -10.372 -15.801) 18.905 18.436 ( -14.355 18.182 -17.361) 28.949 18.735 ( -4.337 5.304 -17.470) 18.765 19.868 ( 5.843 -11.520 -3.070) 13.277 20.039 ( 4.782 -14.737 -0.368) 15.498 20.630 ( -8.565 9.660 4.928) 13.819 20.679 ( -5.475 7.486 6.609) 11.389 24.842 ( 30.194 3.235 7.518) 31.284 25.058 ( 22.644 -5.035 4.692) 23.667 25.392 ( -22.175 2.985 0.753) 22.387 25.525 ( -20.336 -1.785 -1.142) 20.446 ======================= Grid point 108 (41/90) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( 0.000 -0.968 16.553) 16.581 1.218 ( 0.000 0.968 16.553) 16.581 1.314 ( 0.000 -1.769 15.804) 15.903 1.314 ( 0.000 1.769 15.804) 15.903 1.694 ( 0.000 -7.435 6.278) 9.732 1.694 ( 0.000 7.435 6.278) 9.732 2.266 ( 0.000 -12.987 4.901) 13.881 2.266 ( 0.000 12.987 4.901) 13.881 2.360 ( 0.000 -6.288 6.111) 8.768 2.360 ( 0.000 6.288 6.111) 8.768 2.892 ( 0.000 -4.899 5.889) 7.660 2.892 ( 0.000 4.899 5.889) 7.660 3.134 ( 0.000 -2.644 2.086) 3.368 3.134 ( 0.000 2.644 2.086) 3.368 3.454 ( 0.000 -20.355 -5.764) 21.155 3.454 ( 0.000 20.355 -5.764) 21.155 4.077 ( 0.000 -9.579 -13.408) 16.478 4.077 ( 0.000 9.579 -13.408) 16.478 4.183 ( 0.000 -15.034 3.068) 15.344 4.183 ( 0.000 15.034 3.068) 15.344 4.903 ( 0.000 -4.582 8.359) 9.532 4.903 ( 0.000 4.582 8.359) 9.532 5.300 ( 0.000 -0.984 0.094) 0.988 5.300 ( 0.000 0.984 0.094) 0.988 5.648 ( 0.000 -2.515 7.008) 7.446 5.648 ( 0.000 2.515 7.008) 7.446 6.140 ( 0.000 -8.494 4.594) 9.657 6.140 ( 0.000 8.494 4.594) 9.657 6.449 ( 0.000 -4.312 2.503) 4.986 6.449 ( 0.000 4.312 2.503) 4.986 6.653 ( 0.000 -0.432 -4.607) 4.628 6.653 ( 0.000 0.432 -4.607) 4.628 7.113 ( 0.000 -4.354 1.480) 4.598 7.113 ( 0.000 4.354 1.480) 4.598 7.224 ( 0.000 -1.319 17.909) 17.958 7.224 ( 0.000 1.319 17.909) 17.958 8.343 ( 0.000 -0.701 -15.149) 15.165 8.343 ( 0.000 0.701 -15.149) 15.165 9.251 ( 0.000 -9.712 1.330) 9.803 9.251 ( 0.000 9.712 1.330) 9.803 9.682 ( 0.000 -14.460 -8.508) 16.777 9.682 ( 0.000 14.460 -8.508) 16.777 9.991 ( 0.000 -8.670 0.909) 8.718 9.991 ( 0.000 8.670 0.909) 8.718 11.199 ( 0.000 -0.823 -10.875) 10.906 11.199 ( 0.000 0.823 -10.875) 10.906 11.597 ( 0.000 -11.652 -5.925) 13.072 11.597 ( 0.000 11.652 -5.925) 13.072 11.921 ( 0.000 -10.416 -6.119) 12.080 11.921 ( 0.000 10.416 -6.119) 12.080 12.664 ( 0.000 -4.166 -2.171) 4.698 12.664 ( 0.000 4.166 -2.171) 4.698 13.090 ( 0.000 -2.940 6.864) 7.467 13.090 ( 0.000 2.940 6.864) 7.467 14.275 ( 0.000 -22.165 -6.969) 23.234 14.275 ( 0.000 22.165 -6.969) 23.234 16.086 ( 0.000 -0.687 4.328) 4.383 16.086 ( 0.000 0.687 4.328) 4.383 17.335 ( 0.000 -2.736 1.110) 2.953 17.335 ( 0.000 2.736 1.110) 2.953 18.566 ( 0.000 -15.608 1.153) 15.651 18.566 ( 0.000 15.608 1.153) 15.651 18.968 ( 0.000 -4.284 -1.320) 4.483 18.968 ( 0.000 4.284 -1.320) 4.483 19.805 ( 0.000 -5.895 -3.660) 6.939 19.805 ( 0.000 5.895 -3.660) 6.939 21.578 ( 0.000 -3.372 -22.137) 22.392 21.578 ( 0.000 3.372 -22.137) 22.392 23.106 ( 0.000 -15.577 39.283) 42.259 23.106 ( 0.000 15.577 39.283) 42.259 26.240 ( 0.000 -0.463 -10.577) 10.587 26.240 ( 0.000 0.463 -10.577) 10.587 ======================= Grid point 110 (42/90) ======================= q-point: ( 0.11 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( -0.052 -8.530 13.512) 15.979 1.140 ( -0.052 8.530 13.512) 15.979 1.483 ( 8.423 -14.783 6.726) 18.295 1.483 ( 8.423 14.783 6.726) 18.295 1.775 ( 7.160 -3.145 6.847) 10.394 1.775 ( 7.160 3.145 6.847) 10.394 2.311 ( -4.268 -8.431 4.945) 10.665 2.311 ( -4.268 8.431 4.945) 10.665 2.398 ( 11.345 -9.589 5.164) 15.727 2.398 ( 11.345 9.589 5.164) 15.727 2.974 ( 8.196 -6.241 5.463) 11.661 2.974 ( 8.196 6.241 5.463) 11.661 3.242 ( 9.842 -4.248 0.477) 10.730 3.242 ( 9.842 4.248 0.477) 10.730 3.517 ( 6.034 -19.240 -2.622) 20.334 3.517 ( 6.034 19.240 -2.622) 20.334 4.033 ( -4.286 -12.428 -12.500) 18.140 4.033 ( -4.286 12.428 -12.500) 18.140 4.132 ( -3.275 -14.360 3.436) 15.124 4.132 ( -3.275 14.360 3.436) 15.124 4.864 ( -0.926 -3.310 6.791) 7.611 4.864 ( -0.926 3.310 6.791) 7.611 5.292 ( -1.130 -1.697 -0.126) 2.042 5.292 ( -1.130 1.697 -0.126) 2.042 5.614 ( -2.966 -6.805 6.986) 10.194 5.614 ( -2.966 6.805 6.986) 10.194 6.037 ( -7.133 -13.501 2.419) 15.460 6.037 ( -7.133 13.501 2.419) 15.460 6.511 ( 7.704 -8.096 1.838) 11.326 6.511 ( 7.704 8.096 1.838) 11.326 6.969 ( 6.377 -4.763 -1.428) 8.087 6.969 ( 6.377 4.763 -1.428) 8.087 7.056 ( 6.914 -1.988 4.127) 8.294 7.056 ( 6.914 1.988 4.127) 8.294 7.357 ( 17.337 -4.209 10.389) 20.646 7.357 ( 17.337 4.209 10.389) 20.646 8.255 ( -7.662 -0.587 -11.841) 14.116 8.255 ( -7.662 0.587 -11.841) 14.116 9.345 ( 8.320 -7.814 0.134) 11.415 9.345 ( 8.320 7.814 0.134) 11.415 9.569 ( -6.419 -20.802 -0.350) 21.773 9.569 ( -6.419 20.802 -0.350) 21.773 10.128 ( 7.490 -9.526 1.157) 12.173 10.128 ( 7.490 9.526 1.157) 12.173 11.061 ( -13.872 -4.007 -11.588) 18.514 11.061 ( -13.872 4.007 -11.588) 18.514 11.358 ( -11.826 -2.901 -7.543) 14.324 11.358 ( -11.826 2.901 -7.543) 14.324 12.120 ( 8.591 -5.811 -3.871) 11.070 12.120 ( 8.591 5.811 -3.871) 11.070 12.727 ( 5.067 -3.471 -4.854) 7.828 12.727 ( 5.067 3.471 -4.854) 7.828 13.074 ( 0.493 -2.445 3.106) 3.984 13.074 ( 0.493 2.445 3.106) 3.984 14.279 ( 0.085 -20.900 -6.959) 22.028 14.279 ( 0.085 20.900 -6.959) 22.028 16.115 ( 2.819 -4.347 2.824) 5.901 16.115 ( 2.819 4.347 2.824) 5.901 17.242 ( -8.323 -4.458 1.886) 9.628 17.242 ( -8.323 4.458 1.886) 9.628 18.472 ( -8.176 -12.289 0.867) 14.786 18.472 ( -8.176 12.289 0.867) 14.786 19.027 ( 4.702 -3.414 -3.728) 6.904 19.027 ( 4.702 3.414 -3.728) 6.904 19.755 ( -4.802 -6.717 -4.877) 9.590 19.755 ( -4.802 6.717 -4.877) 9.590 21.463 ( -10.955 -3.441 -17.926) 21.288 21.463 ( -10.955 3.441 -17.926) 21.288 23.309 ( 19.281 -15.687 35.113) 43.020 23.309 ( 19.281 15.687 35.113) 43.020 26.200 ( -4.136 -1.950 -10.011) 11.006 26.200 ( -4.136 1.950 -10.011) 11.006 ======================= Grid point 112 (43/90) ======================= q-point: ( 0.22 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( 9.232 -8.712 2.570) 12.951 1.239 ( 9.232 8.712 2.570) 12.951 1.621 ( 6.053 -13.622 2.062) 15.049 1.621 ( 6.053 13.622 2.062) 15.049 1.911 ( 5.765 -1.800 2.786) 6.652 1.911 ( 5.765 1.800 2.786) 6.652 2.221 ( -3.929 -10.185 4.033) 11.638 2.221 ( -3.929 10.185 4.033) 11.638 2.607 ( 8.684 -4.991 -1.463) 10.122 2.607 ( 8.684 4.991 -1.463) 10.122 3.173 ( 9.279 -6.698 2.265) 11.665 3.173 ( 9.279 6.698 2.265) 11.665 3.476 ( 14.006 -10.025 -0.336) 17.228 3.476 ( 14.006 10.025 -0.336) 17.228 3.634 ( 3.598 -15.803 1.848) 16.313 3.634 ( 3.598 15.803 1.848) 16.313 3.985 ( -0.097 -3.820 -8.078) 8.936 3.985 ( -0.097 3.820 -8.078) 8.936 4.129 ( 5.390 -10.681 2.153) 12.157 4.129 ( 5.390 10.681 2.153) 12.157 4.912 ( 4.924 -3.438 1.412) 6.170 4.912 ( 4.924 3.438 1.412) 6.170 5.249 ( -3.244 -4.069 -2.737) 5.880 5.249 ( -3.244 4.069 -2.737) 5.880 5.557 ( -2.167 -9.536 7.900) 12.571 5.557 ( -2.167 9.536 7.900) 12.571 5.924 ( -4.346 -13.385 -1.285) 14.131 5.924 ( -4.346 13.385 -1.285) 14.131 6.643 ( 3.131 -9.069 -0.827) 9.629 6.643 ( 3.131 9.069 -0.827) 9.629 6.876 ( -3.118 -7.409 3.610) 8.812 6.876 ( -3.118 7.409 3.610) 8.812 7.209 ( 3.600 -3.806 15.487) 16.349 7.209 ( 3.600 3.806 15.487) 16.349 7.934 ( 23.009 -2.249 -8.213) 24.534 7.934 ( 23.009 2.249 -8.213) 24.534 8.139 ( 7.177 -1.258 -1.645) 7.470 8.139 ( 7.177 1.258 -1.645) 7.470 9.383 ( -4.902 -11.830 -0.492) 12.815 9.383 ( -4.902 11.830 -0.492) 12.815 9.653 ( 14.577 -14.045 8.627) 22.004 9.653 ( 14.577 14.045 8.627) 22.004 10.110 ( -10.380 -7.329 7.376) 14.692 10.110 ( -10.380 7.329 7.376) 14.692 10.824 ( -7.446 -5.719 -16.097) 18.635 10.824 ( -7.446 5.719 -16.097) 18.635 11.174 ( -8.301 -3.724 -6.361) 11.101 11.174 ( -8.301 3.724 -6.361) 11.101 12.184 ( -0.329 -6.798 -1.716) 7.019 12.184 ( -0.329 6.798 -1.716) 7.019 12.728 ( -5.562 -3.240 -1.469) 6.603 12.728 ( -5.562 3.240 -1.469) 6.603 13.227 ( 14.303 -0.690 -11.044) 18.084 13.227 ( 14.303 0.690 -11.044) 18.084 14.264 ( -1.881 -18.297 -7.355) 19.809 14.264 ( -1.881 18.297 -7.355) 19.809 16.190 ( 4.600 -10.091 -1.547) 11.197 16.190 ( 4.600 10.091 -1.547) 11.197 17.067 ( -8.196 -10.844 2.489) 13.819 17.067 ( -8.196 10.844 2.489) 13.819 18.297 ( -8.812 -9.169 -1.706) 12.831 18.297 ( -8.812 9.169 -1.706) 12.831 19.079 ( -1.701 -4.720 -11.093) 12.175 19.079 ( -1.701 4.720 -11.093) 12.175 19.662 ( -2.602 -9.019 -4.607) 10.457 19.662 ( -2.602 9.019 -4.607) 10.457 21.196 ( -14.813 -2.528 -8.355) 17.193 21.196 ( -14.813 2.528 -8.355) 17.193 23.794 ( 28.466 -14.024 25.804) 40.900 23.794 ( 28.466 14.024 25.804) 40.900 26.070 ( -9.291 -3.178 -8.291) 12.852 26.070 ( -9.291 3.178 -8.291) 12.852 ======================= Grid point 114 (44/90) ======================= q-point: ( 0.33 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( 12.359 -9.383 -5.936) 16.614 1.463 ( 12.359 9.383 -5.936) 16.614 1.717 ( 3.588 -9.896 1.278) 10.604 1.717 ( 3.588 9.896 1.278) 10.604 1.979 ( 0.374 -2.856 -1.441) 3.221 1.979 ( 0.374 2.856 -1.441) 3.221 2.177 ( -0.162 -14.668 3.842) 15.164 2.177 ( -0.162 14.668 3.842) 15.164 2.782 ( 10.569 -3.214 -9.922) 14.849 2.782 ( 10.569 3.214 -9.922) 14.849 3.290 ( 3.495 -9.332 -2.006) 10.165 3.290 ( 3.495 9.332 -2.006) 10.165 3.597 ( -3.324 -8.506 -1.774) 9.303 3.597 ( -3.324 8.506 -1.774) 9.303 3.776 ( 7.699 -7.751 -0.607) 10.941 3.776 ( 7.699 7.751 -0.607) 10.941 3.999 ( 5.342 -7.912 -0.924) 9.591 3.999 ( 5.342 7.912 -0.924) 9.591 4.320 ( 9.271 -5.373 -3.890) 11.399 4.320 ( 9.271 5.373 -3.890) 11.399 5.011 ( 4.293 -0.867 0.624) 4.424 5.011 ( 4.293 0.867 0.624) 4.424 5.190 ( -1.189 -2.600 -8.487) 8.955 5.190 ( -1.189 2.600 -8.487) 8.955 5.528 ( -1.860 -4.245 8.426) 9.616 5.528 ( -1.860 4.245 8.426) 9.616 5.866 ( -1.339 -4.282 -3.998) 6.010 5.866 ( -1.339 4.282 -3.998) 6.010 6.632 ( -1.048 -9.358 -3.743) 10.133 6.632 ( -1.048 9.358 -3.743) 10.133 6.901 ( 2.431 -8.395 7.106) 11.264 6.901 ( 2.431 8.395 7.106) 11.264 7.265 ( 3.205 -2.865 20.253) 20.704 7.265 ( 3.205 2.865 20.253) 20.704 7.897 ( -7.086 -2.063 2.275) 7.723 7.897 ( -7.086 2.063 2.275) 7.723 8.730 ( 29.146 -4.446 -5.028) 29.909 8.730 ( 29.146 4.446 -5.028) 29.909 9.309 ( 0.544 -5.401 3.012) 6.208 9.309 ( 0.544 5.401 3.012) 6.208 9.798 ( -11.058 -3.402 5.979) 13.023 9.798 ( -11.058 3.402 5.979) 13.023 10.015 ( 13.672 -12.133 4.801) 18.899 10.015 ( 13.672 12.133 4.801) 18.899 10.665 ( -11.042 -4.584 -9.149) 15.055 10.665 ( -11.042 4.584 -9.149) 15.055 11.029 ( -6.864 -7.115 -0.947) 9.932 11.029 ( -6.864 7.115 -0.947) 9.932 12.172 ( 0.222 -3.150 -4.022) 5.113 12.172 ( 0.222 3.150 -4.022) 5.113 12.579 ( -8.340 -4.627 -2.524) 9.866 12.579 ( -8.340 4.627 -2.524) 9.866 13.535 ( 15.660 -6.534 -16.216) 23.471 13.535 ( 15.660 6.534 -16.216) 23.471 14.197 ( -5.083 -15.596 -8.529) 18.488 14.197 ( -5.083 15.596 -8.529) 18.488 16.286 ( 4.798 -17.982 -7.901) 20.219 16.286 ( 4.798 17.982 -7.901) 20.219 16.948 ( -3.781 -17.849 2.337) 18.394 16.948 ( -3.781 17.849 2.337) 18.394 18.145 ( -6.383 -8.516 -7.223) 12.862 18.145 ( -6.383 8.516 -7.223) 12.862 18.930 ( -11.456 -0.620 -17.189) 20.666 18.930 ( -11.456 0.620 -17.189) 20.666 19.696 ( 4.965 -7.257 -3.362) 9.414 19.696 ( 4.965 7.257 -3.362) 9.414 20.924 ( -12.011 -0.812 1.125) 12.091 20.924 ( -12.011 0.812 1.125) 12.091 24.377 ( 29.967 -9.976 15.486) 35.176 24.377 ( 29.967 9.976 15.486) 35.176 25.828 ( -15.497 -3.420 -5.166) 16.689 25.828 ( -15.497 3.420 -5.166) 16.689 ======================= Grid point 116 (45/90) ======================= q-point: ( 0.44 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( 6.378 -5.544 -7.437) 11.257 1.668 ( 6.378 5.544 -7.437) 11.257 1.781 ( 4.380 -6.501 -0.849) 7.885 1.781 ( 4.380 6.501 -0.849) 7.885 1.917 ( -5.724 -2.680 -4.368) 7.682 1.917 ( -5.724 2.680 -4.368) 7.682 2.201 ( 1.366 -17.564 5.698) 18.516 2.201 ( 1.366 17.564 5.698) 18.516 3.025 ( 12.220 -4.369 -13.474) 18.708 3.025 ( 12.220 4.369 -13.474) 18.708 3.312 ( -2.387 -4.730 -6.389) 8.300 3.312 ( -2.387 4.730 -6.389) 8.300 3.488 ( -5.260 -7.865 -6.863) 11.689 3.488 ( -5.260 7.865 -6.863) 11.689 3.785 ( -1.805 -7.673 1.672) 8.057 3.785 ( -1.805 7.673 1.672) 8.057 4.212 ( 11.336 -5.309 -4.206) 13.205 4.212 ( 11.336 5.309 -4.206) 13.205 4.378 ( -3.401 -5.148 -7.471) 9.690 4.378 ( -3.401 5.148 -7.471) 9.690 5.058 ( 0.751 -1.705 -0.665) 1.978 5.058 ( 0.751 1.705 -0.665) 1.978 5.261 ( 7.544 -2.536 -2.597) 8.372 5.261 ( 7.544 2.536 -2.597) 8.372 5.442 ( -6.713 -2.193 0.546) 7.083 5.442 ( -6.713 2.193 0.546) 7.083 5.865 ( 0.476 -6.730 -1.686) 6.954 5.865 ( 0.476 6.730 -1.686) 6.954 6.656 ( 2.607 -17.324 -5.031) 18.227 6.656 ( 2.607 17.324 -5.031) 18.227 6.893 ( -2.482 -7.478 9.626) 12.440 6.893 ( -2.482 7.478 9.626) 12.440 7.360 ( 5.141 -3.526 20.682) 21.602 7.360 ( 5.141 3.526 20.682) 21.602 7.767 ( -5.244 -3.163 11.412) 12.951 7.767 ( -5.244 3.163 11.412) 12.951 8.980 ( 0.761 -2.316 2.375) 3.403 8.980 ( 0.761 2.316 2.375) 3.403 9.524 ( 7.538 -3.274 -3.674) 9.002 9.524 ( 7.538 3.274 -3.674) 9.002 9.689 ( 10.582 -2.838 -0.950) 10.997 9.689 ( 10.582 2.838 -0.950) 10.997 10.126 ( -10.364 -6.262 -6.939) 13.956 10.126 ( -10.364 6.262 -6.939) 13.956 10.531 ( 3.700 -10.238 6.853) 12.864 10.531 ( 3.700 10.238 6.853) 12.864 10.875 ( -7.999 -10.603 6.540) 14.804 10.875 ( -7.999 10.603 6.540) 14.804 12.205 ( 2.407 -4.917 -6.452) 8.461 12.205 ( 2.407 4.917 -6.452) 8.461 12.434 ( -5.354 -5.823 -4.792) 9.248 12.434 ( -5.354 5.823 -4.792) 9.248 13.809 ( 11.290 -14.255 -16.378) 24.473 13.809 ( 11.290 14.255 -16.378) 24.473 14.068 ( -7.417 -12.442 -9.769) 17.471 14.068 ( -7.417 12.442 -9.769) 17.471 16.361 ( 2.283 -25.467 -13.166) 28.760 16.361 ( 2.283 25.467 -13.166) 28.760 16.909 ( -0.668 -24.591 2.385) 24.715 16.909 ( -0.668 24.591 2.385) 24.715 18.055 ( -2.541 -9.604 -14.183) 17.316 18.055 ( -2.541 9.604 -14.183) 17.316 18.735 ( -6.171 -6.970 -15.216) 17.838 18.735 ( -6.171 6.970 -15.216) 17.838 19.790 ( 3.241 -5.578 -5.446) 8.443 19.790 ( 3.241 5.578 -5.446) 8.443 20.751 ( -4.905 -1.186 7.376) 8.937 20.751 ( -4.905 1.186 7.376) 8.937 24.938 ( 25.868 -5.542 5.856) 27.096 24.938 ( 25.868 5.542 5.856) 27.096 25.466 ( -20.569 -3.524 0.168) 20.870 25.466 ( -20.569 3.524 0.168) 20.870 ======================= Grid point 135 (46/90) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( 0.000 0.000 11.280) 11.280 1.301 ( 0.000 0.000 11.188) 11.188 1.737 ( 0.000 0.000 7.929) 7.929 1.830 ( 0.000 0.000 19.210) 19.210 1.876 ( 0.000 0.000 12.737) 12.737 1.931 ( 0.000 0.000 -0.380) 0.380 2.014 ( 0.000 0.000 -3.897) 3.897 2.183 ( 0.000 0.000 -14.180) 14.180 2.386 ( 0.000 0.000 -6.505) 6.505 2.715 ( 0.000 0.000 21.555) 21.555 2.744 ( 0.000 0.000 6.258) 6.258 3.004 ( 0.000 0.000 0.731) 0.731 3.215 ( 0.000 0.000 10.233) 10.233 3.232 ( 0.000 0.000 5.464) 5.464 3.375 ( 0.000 0.000 -1.117) 1.117 3.540 ( 0.000 0.000 10.785) 10.785 3.578 ( 0.000 0.000 14.561) 14.561 3.989 ( 0.000 0.000 -13.427) 13.427 4.013 ( 0.000 0.000 -3.299) 3.299 4.157 ( 0.000 0.000 -4.994) 4.994 5.039 ( 0.000 0.000 10.627) 10.627 5.366 ( 0.000 0.000 7.477) 7.477 5.382 ( 0.000 0.000 -3.305) 3.305 5.528 ( 0.000 0.000 16.738) 16.738 5.815 ( 0.000 0.000 8.172) 8.172 5.919 ( 0.000 0.000 2.571) 2.571 5.976 ( 0.000 0.000 2.274) 2.274 6.008 ( 0.000 0.000 -0.232) 0.232 6.257 ( 0.000 0.000 -7.912) 7.912 6.540 ( 0.000 0.000 -3.803) 3.803 6.648 ( 0.000 0.000 -4.422) 4.422 6.756 ( 0.000 0.000 -9.274) 9.274 6.959 ( 0.000 0.000 -0.663) 0.663 7.158 ( 0.000 0.000 -7.972) 7.972 7.700 ( 0.000 0.000 29.168) 29.168 7.851 ( 0.000 0.000 -21.952) 21.952 7.860 ( 0.000 0.000 12.059) 12.059 8.121 ( 0.000 0.000 -0.697) 0.697 8.877 ( 0.000 0.000 -0.481) 0.481 8.943 ( 0.000 0.000 6.107) 6.107 9.473 ( 0.000 0.000 -2.344) 2.344 9.585 ( 0.000 0.000 -5.793) 5.793 10.407 ( 0.000 0.000 0.360) 0.360 10.663 ( 0.000 0.000 -4.976) 4.976 10.912 ( 0.000 0.000 -1.813) 1.813 10.927 ( 0.000 0.000 -1.762) 1.762 11.094 ( 0.000 0.000 -1.846) 1.846 11.360 ( 0.000 0.000 1.906) 1.906 11.616 ( 0.000 0.000 -7.514) 7.514 11.917 ( 0.000 0.000 -9.013) 9.013 12.820 ( 0.000 0.000 1.333) 1.333 12.977 ( 0.000 0.000 -4.146) 4.146 13.080 ( 0.000 0.000 1.728) 1.728 13.086 ( 0.000 0.000 7.630) 7.630 13.744 ( 0.000 0.000 1.559) 1.559 14.694 ( 0.000 0.000 -14.627) 14.627 15.990 ( 0.000 0.000 -0.031) 0.031 16.064 ( 0.000 0.000 -1.594) 1.594 17.273 ( 0.000 0.000 2.713) 2.713 17.690 ( 0.000 0.000 11.858) 11.858 17.928 ( 0.000 0.000 -7.952) 7.952 18.910 ( 0.000 0.000 3.183) 3.183 19.008 ( 0.000 0.000 -5.588) 5.588 19.276 ( 0.000 0.000 10.841) 10.841 19.371 ( 0.000 0.000 -14.095) 14.095 19.914 ( 0.000 0.000 -3.165) 3.165 21.019 ( 0.000 0.000 -18.890) 18.890 21.189 ( 0.000 0.000 -23.612) 23.612 23.548 ( 0.000 0.000 40.253) 40.253 24.295 ( 0.000 0.000 27.956) 27.956 25.920 ( 0.000 0.000 -17.780) 17.780 26.022 ( 0.000 0.000 -13.459) 13.459 ======================= Grid point 136 (47/90) ======================= q-point: ( 0.11 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( 7.077 0.000 10.125) 12.353 1.242 ( -4.385 0.000 10.767) 11.626 1.732 ( -4.964 0.000 16.204) 16.947 1.746 ( 1.010 0.000 6.606) 6.683 1.942 ( 1.216 0.000 -1.545) 1.966 1.998 ( 5.200 0.000 8.521) 9.982 2.014 ( -0.256 0.000 -4.021) 4.029 2.196 ( 1.307 0.000 -17.740) 17.788 2.466 ( 4.312 0.000 1.754) 4.655 2.725 ( 4.092 0.000 8.689) 9.604 2.813 ( 6.292 0.000 15.494) 16.723 3.048 ( 0.139 0.000 1.920) 1.925 3.256 ( 3.191 0.000 8.894) 9.449 3.407 ( 13.998 0.000 0.594) 14.011 3.417 ( 11.829 0.000 0.888) 11.862 3.578 ( 1.684 0.000 10.235) 10.373 3.621 ( 5.475 0.000 11.227) 12.491 3.941 ( -3.600 0.000 -12.995) 13.485 4.124 ( 9.582 0.000 -1.697) 9.731 4.208 ( 3.886 0.000 -3.129) 4.989 4.981 ( -5.191 0.000 8.111) 9.629 5.280 ( -7.788 0.000 9.159) 12.022 5.315 ( -5.829 0.000 -3.233) 6.666 5.410 ( -7.175 0.000 10.189) 12.462 5.681 ( -18.418 0.000 2.146) 18.543 5.695 ( -5.311 0.000 6.387) 8.307 5.950 ( 3.006 0.000 3.843) 4.879 6.092 ( -4.150 0.000 -9.547) 10.410 6.247 ( -1.348 0.000 -5.048) 5.224 6.713 ( -5.862 0.000 -8.428) 10.267 6.844 ( -2.687 0.000 -5.031) 5.704 6.847 ( 28.410 0.000 -4.904) 28.830 7.061 ( 29.770 0.000 -3.493) 29.975 7.318 ( 11.063 0.000 -0.070) 11.063 7.706 ( 0.227 0.000 26.046) 26.047 7.844 ( -0.220 0.000 -15.069) 15.071 7.902 ( 3.923 0.000 6.215) 7.349 8.067 ( -1.009 0.000 12.136) 12.178 8.979 ( 4.035 0.000 9.802) 10.600 9.023 ( 12.712 0.000 -4.933) 13.636 9.623 ( 3.715 0.000 -5.973) 7.034 9.666 ( 15.938 0.000 -3.720) 16.367 10.292 ( -9.867 0.000 0.180) 9.869 10.613 ( -5.313 0.000 -2.945) 6.074 10.900 ( -1.643 0.000 -2.945) 3.372 10.919 ( -23.286 0.000 -0.300) 23.288 10.999 ( -7.933 0.000 -3.491) 8.667 11.013 ( 2.995 0.000 -1.171) 3.216 11.960 ( 3.559 0.000 -6.232) 7.176 12.001 ( 21.784 0.000 -8.716) 23.463 12.744 ( -7.455 0.000 -0.190) 7.458 12.855 ( -9.974 0.000 -2.837) 10.369 13.068 ( -2.360 0.000 6.860) 7.255 13.104 ( 2.450 0.000 1.317) 2.782 13.792 ( 3.898 0.000 0.451) 3.924 14.667 ( -2.767 0.000 -14.728) 14.985 15.978 ( -1.415 0.000 -0.462) 1.489 16.054 ( -1.140 0.000 -1.795) 2.126 17.214 ( -5.746 0.000 3.040) 6.501 17.583 ( -9.076 0.000 10.861) 14.154 17.894 ( -3.316 0.000 -8.166) 8.814 18.747 ( -12.875 0.000 3.596) 13.368 18.952 ( -6.281 0.000 -7.711) 9.945 19.213 ( -15.495 0.000 -16.550) 22.671 19.384 ( 8.870 0.000 8.646) 12.387 19.921 ( 1.237 0.000 -2.292) 2.605 20.995 ( -2.888 0.000 -15.996) 16.254 21.124 ( -6.439 0.000 -20.456) 21.445 23.684 ( 13.262 0.000 37.038) 39.340 24.398 ( 9.736 0.000 24.986) 26.815 25.884 ( -3.606 0.000 -15.829) 16.235 26.004 ( -2.118 0.000 -13.869) 14.030 ======================= Grid point 137 (48/90) ======================= q-point: ( 0.22 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( -2.876 0.000 6.928) 7.501 1.284 ( 10.544 0.000 8.166) 13.336 1.670 ( 0.155 0.000 9.274) 9.275 1.777 ( 2.090 0.000 3.744) 4.288 1.964 ( -2.161 0.000 -5.478) 5.889 2.005 ( 2.032 0.000 -3.808) 4.316 2.030 ( -1.423 0.000 0.900) 1.684 2.266 ( 5.688 0.000 -14.807) 15.862 2.490 ( -0.412 0.000 6.543) 6.556 2.740 ( -1.416 0.000 2.500) 2.873 3.000 ( -2.535 0.000 1.605) 3.000 3.043 ( 11.018 0.000 10.147) 14.978 3.343 ( 7.252 0.000 4.327) 8.445 3.554 ( -4.187 0.000 3.737) 5.612 3.654 ( 8.928 0.000 -8.375) 12.241 3.772 ( 7.810 0.000 8.721) 11.707 3.814 ( 17.142 0.000 0.187) 17.143 3.904 ( 4.715 0.000 -4.820) 6.743 4.290 ( 5.229 0.000 1.012) 5.326 4.323 ( 9.741 0.000 1.176) 9.812 4.904 ( -1.194 0.000 1.800) 2.160 5.133 ( -3.734 0.000 7.615) 8.481 5.198 ( -5.141 0.000 -1.858) 5.466 5.308 ( -17.852 0.000 1.575) 17.921 5.360 ( 0.156 0.000 6.737) 6.738 5.674 ( 1.887 0.000 1.743) 2.569 5.874 ( -15.244 0.000 -16.530) 22.486 6.040 ( 6.583 0.000 5.310) 8.458 6.132 ( -10.774 0.000 -10.035) 14.724 6.598 ( -2.637 0.000 -5.672) 6.255 6.913 ( 6.434 0.000 1.759) 6.670 7.356 ( 17.469 0.000 -0.606) 17.479 7.523 ( 9.054 0.000 3.376) 9.663 7.611 ( 18.317 0.000 11.729) 21.751 7.723 ( 3.469 0.000 5.122) 6.186 7.860 ( 2.124 0.000 -2.907) 3.601 7.939 ( 9.340 0.000 1.320) 9.433 8.350 ( 28.000 0.000 18.563) 33.594 9.054 ( 3.458 0.000 6.356) 7.236 9.336 ( 17.356 0.000 -2.073) 17.479 9.713 ( 4.581 0.000 -4.771) 6.614 9.880 ( -0.395 0.000 0.824) 0.913 10.078 ( -12.739 0.000 6.057) 14.106 10.447 ( -11.108 0.000 -0.749) 11.133 10.538 ( -6.512 0.000 -13.044) 14.579 10.765 ( -11.021 0.000 -13.867) 17.713 10.927 ( 0.599 0.000 5.780) 5.811 11.107 ( 3.526 0.000 2.314) 4.217 12.027 ( 2.877 0.000 -2.578) 3.863 12.284 ( 2.547 0.000 -9.003) 9.356 12.549 ( -11.567 0.000 -3.772) 12.166 12.690 ( -4.365 0.000 -5.739) 7.211 13.039 ( 2.413 0.000 4.371) 4.993 13.178 ( 5.066 0.000 0.219) 5.071 13.858 ( 2.293 0.000 -1.505) 2.743 14.581 ( -6.082 0.000 -15.195) 16.367 15.920 ( -4.638 0.000 -1.735) 4.952 16.015 ( -2.883 0.000 -2.465) 3.793 17.088 ( -5.169 0.000 2.346) 5.676 17.425 ( -5.625 0.000 5.777) 8.063 17.808 ( -5.124 0.000 -8.201) 9.670 18.496 ( -11.750 0.000 0.850) 11.781 18.716 ( -20.637 0.000 -20.445) 29.049 18.831 ( -18.933 0.000 -12.941) 22.933 19.593 ( 12.212 0.000 6.326) 13.753 19.987 ( 5.642 0.000 -0.492) 5.663 20.896 ( -7.029 0.000 -9.990) 12.215 20.951 ( -10.766 0.000 -13.358) 17.157 24.035 ( 21.529 0.000 28.708) 35.884 24.635 ( 13.464 0.000 18.350) 22.760 25.780 ( -6.970 0.000 -12.118) 13.979 25.923 ( -6.496 0.000 -13.204) 14.716 ======================= Grid point 138 (49/90) ======================= q-point: ( 0.33 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( 3.881 0.000 -0.497) 3.912 1.497 ( 10.607 0.000 7.356) 12.908 1.749 ( 6.140 0.000 -1.369) 6.291 1.813 ( -1.586 0.000 -4.815) 5.069 1.847 ( -5.654 0.000 -4.057) 6.959 1.978 ( -3.225 0.000 3.199) 4.542 2.100 ( 6.487 0.000 -4.332) 7.801 2.365 ( 3.207 0.000 -14.559) 14.908 2.499 ( 2.358 0.000 2.291) 3.288 2.728 ( 1.844 0.000 -4.896) 5.232 2.984 ( 0.323 0.000 -0.917) 0.972 3.186 ( 5.505 0.000 0.404) 5.519 3.390 ( -12.427 0.000 -9.559) 15.678 3.518 ( 8.389 0.000 4.307) 9.430 3.628 ( -8.750 0.000 -5.718) 10.453 3.889 ( 4.700 0.000 6.078) 7.683 3.936 ( 0.358 0.000 -1.851) 1.886 4.068 ( 0.628 0.000 -7.001) 7.029 4.495 ( 13.964 0.000 3.241) 14.335 4.500 ( 8.295 0.000 2.653) 8.708 4.935 ( 3.292 0.000 -1.336) 3.553 5.073 ( -4.385 0.000 2.732) 5.166 5.146 ( 3.606 0.000 1.097) 3.769 5.146 ( 0.932 0.000 3.533) 3.654 5.387 ( 2.757 0.000 6.835) 7.370 5.577 ( -13.465 0.000 -14.281) 19.628 5.701 ( -0.436 0.000 -0.462) 0.635 5.901 ( -11.114 0.000 -12.338) 16.606 6.221 ( 11.421 0.000 4.454) 12.259 6.588 ( 0.333 0.000 -0.075) 0.341 7.035 ( 5.467 0.000 3.310) 6.391 7.489 ( -5.169 0.000 -2.153) 5.600 7.658 ( 4.897 0.000 5.674) 7.495 7.710 ( 6.472 0.000 17.485) 18.644 7.779 ( 2.049 0.000 17.668) 17.787 7.928 ( 4.161 0.000 7.667) 8.723 8.489 ( 33.517 0.000 -3.179) 33.667 8.983 ( 32.885 0.000 2.002) 32.946 9.110 ( 2.351 0.000 4.452) 5.035 9.621 ( 8.203 0.000 -7.231) 10.935 9.706 ( -14.164 0.000 2.830) 14.444 9.757 ( -1.026 0.000 7.960) 8.026 9.773 ( -12.489 0.000 5.642) 13.704 10.239 ( -7.804 0.000 -6.587) 10.213 10.534 ( -11.390 0.000 -12.447) 16.871 10.635 ( 7.556 0.000 -10.542) 12.970 10.980 ( 4.632 0.000 9.485) 10.556 11.138 ( 0.135 0.000 3.798) 3.801 12.064 ( 0.117 0.000 -2.279) 2.282 12.153 ( -10.341 0.000 -4.280) 11.192 12.336 ( -8.251 0.000 -6.467) 10.483 12.593 ( -7.565 0.000 -4.687) 8.899 13.230 ( 13.871 0.000 -7.168) 15.614 13.295 ( 6.395 0.000 -1.269) 6.520 13.887 ( 1.445 0.000 -4.254) 4.492 14.424 ( -9.931 0.000 -15.993) 18.826 15.823 ( -3.997 0.000 -4.294) 5.866 15.942 ( -4.399 0.000 -3.664) 5.725 17.069 ( 3.543 0.000 -4.683) 5.872 17.379 ( 1.095 0.000 1.776) 2.086 17.695 ( -6.584 0.000 -7.586) 10.045 18.186 ( -29.067 0.000 -26.483) 39.322 18.307 ( -7.079 0.000 -3.989) 8.125 18.520 ( -14.023 0.000 -11.543) 18.163 19.856 ( 14.301 0.000 4.358) 14.950 20.135 ( 9.068 0.000 0.810) 9.104 20.713 ( -13.204 0.000 -6.376) 14.662 20.730 ( -9.506 0.000 -4.511) 10.522 24.494 ( 24.346 0.000 17.722) 30.113 24.908 ( 14.063 0.000 10.348) 17.459 25.608 ( -10.647 0.000 -7.624) 13.096 25.741 ( -12.023 0.000 -10.391) 15.891 ======================= Grid point 139 (50/90) ======================= q-point: ( 0.44 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( 12.306 0.000 -7.576) 14.452 1.591 ( -11.788 0.000 -6.969) 13.694 1.699 ( 6.747 0.000 2.470) 7.185 1.805 ( -2.010 0.000 -1.923) 2.782 1.870 ( 2.263 0.000 -1.282) 2.601 1.918 ( -2.725 0.000 4.046) 4.878 2.243 ( 7.609 0.000 -5.449) 9.359 2.370 ( -4.114 0.000 -8.653) 9.581 2.630 ( 13.569 0.000 -11.412) 17.730 2.870 ( 11.729 0.000 -13.054) 17.549 2.926 ( -10.386 0.000 -11.683) 15.633 3.115 ( -13.018 0.000 -14.138) 19.218 3.275 ( 3.455 0.000 -2.186) 4.089 3.394 ( -11.250 0.000 -2.833) 11.601 3.670 ( 8.247 0.000 3.797) 9.080 3.843 ( -8.262 0.000 -0.566) 8.282 3.973 ( 3.564 0.000 2.015) 4.094 4.028 ( -2.465 0.000 -2.318) 3.384 4.637 ( 5.181 0.000 0.766) 5.238 4.671 ( 2.897 0.000 -0.078) 2.898 4.999 ( 2.795 0.000 -1.663) 3.252 5.039 ( -1.330 0.000 -1.032) 1.683 5.222 ( 3.547 0.000 -2.271) 4.212 5.252 ( 4.297 0.000 4.303) 6.081 5.407 ( -0.695 0.000 -1.274) 1.451 5.453 ( 1.888 0.000 7.282) 7.523 5.655 ( -2.378 0.000 -4.083) 4.725 5.716 ( -7.478 0.000 -10.356) 12.774 6.443 ( 9.759 0.000 3.436) 10.346 6.571 ( -3.115 0.000 2.705) 4.125 7.139 ( 6.092 0.000 0.958) 6.167 7.303 ( -10.402 0.000 -2.017) 10.596 7.738 ( 3.518 0.000 11.932) 12.439 7.784 ( -0.604 0.000 16.912) 16.922 7.890 ( 7.738 0.000 19.955) 21.403 7.976 ( -0.476 0.000 14.622) 14.630 9.050 ( 19.697 0.000 -2.932) 19.914 9.155 ( 2.145 0.000 2.019) 2.946 9.436 ( 1.094 0.000 2.748) 2.958 9.574 ( 7.712 0.000 -3.517) 8.476 9.594 ( -8.994 0.000 10.524) 13.844 9.655 ( -7.387 0.000 -11.265) 13.472 9.674 ( 11.119 0.000 -2.489) 11.394 10.054 ( -16.319 0.000 -10.847) 19.595 10.479 ( 8.018 0.000 1.152) 8.100 10.657 ( -6.004 0.000 1.505) 6.189 11.085 ( 5.019 0.000 7.356) 8.906 11.139 ( -0.396 0.000 2.723) 2.751 11.995 ( -4.217 0.000 -5.239) 6.725 12.006 ( -4.199 0.000 -6.175) 7.467 12.299 ( 3.840 0.000 -4.392) 5.834 12.427 ( -8.265 0.000 -3.873) 9.127 13.410 ( 4.653 0.000 -3.413) 5.770 13.431 ( 4.225 0.000 -7.449) 8.564 13.973 ( 8.615 0.000 -10.765) 13.788 14.198 ( -12.574 0.000 -15.700) 20.115 15.795 ( 1.188 0.000 -6.145) 6.259 15.853 ( -4.226 0.000 -5.267) 6.753 17.226 ( 12.525 0.000 -15.062) 19.589 17.465 ( 7.325 0.000 -0.630) 7.352 17.519 ( -13.251 0.000 -13.979) 19.261 17.686 ( -18.325 0.000 -13.569) 22.802 18.230 ( -0.437 0.000 -8.976) 8.987 18.300 ( -7.675 0.000 -11.972) 14.221 20.146 ( 14.997 0.000 2.187) 15.156 20.328 ( 10.195 0.000 1.167) 10.262 20.439 ( -14.444 0.000 -1.623) 14.534 20.533 ( -10.363 0.000 -0.977) 10.409 24.962 ( 22.556 0.000 6.866) 23.578 25.184 ( 14.138 0.000 2.147) 14.300 25.350 ( -16.274 0.000 -1.532) 16.346 25.468 ( -14.806 0.000 -5.252) 15.710 ======================= Grid point 144 (51/90) ======================= q-point: ( 0.00 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( 0.000 10.246 7.079) 12.453 1.386 ( 0.000 7.071 12.060) 13.980 1.705 ( 0.000 -15.534 -2.571) 15.746 1.741 ( 0.000 -3.479 8.078) 8.795 1.817 ( 0.000 -1.362 7.495) 7.618 1.891 ( 0.000 2.103 11.722) 11.910 2.032 ( 0.000 9.956 5.933) 11.590 2.427 ( 0.000 4.290 -10.419) 11.267 2.466 ( 0.000 9.719 6.726) 11.819 2.675 ( 0.000 -2.383 18.940) 19.090 2.857 ( 0.000 12.497 0.134) 12.498 3.041 ( 0.000 -11.414 6.837) 13.305 3.079 ( 0.000 4.452 2.033) 4.894 3.151 ( 0.000 -5.186 7.780) 9.350 3.368 ( 0.000 -4.603 9.446) 10.508 3.530 ( 0.000 9.693 -6.655) 11.757 3.798 ( 0.000 -13.359 -4.471) 14.087 3.907 ( 0.000 7.755 -4.186) 8.812 3.987 ( 0.000 6.968 0.638) 6.998 4.279 ( 0.000 5.446 -2.046) 5.818 5.066 ( 0.000 1.421 8.652) 8.768 5.231 ( 0.000 -7.568 1.652) 7.746 5.425 ( 0.000 -3.676 8.855) 9.588 5.457 ( 0.000 -4.962 14.015) 14.868 5.679 ( 0.000 -0.632 6.455) 6.485 5.847 ( 0.000 -4.769 1.557) 5.017 6.059 ( 0.000 6.188 4.173) 7.464 6.147 ( 0.000 5.233 -3.480) 6.285 6.318 ( 0.000 4.829 -5.494) 7.315 6.553 ( 0.000 1.260 -2.856) 3.121 6.620 ( 0.000 -2.198 -3.825) 4.411 6.776 ( 0.000 -11.228 1.665) 11.351 6.858 ( 0.000 4.863 -6.678) 8.261 7.117 ( 0.000 -3.753 -7.698) 8.564 7.689 ( 0.000 -0.210 24.483) 24.484 7.810 ( 0.000 -4.609 17.976) 18.558 7.916 ( 0.000 4.949 -16.627) 17.348 8.080 ( 0.000 -2.080 -6.882) 7.190 8.994 ( 0.000 8.323 -4.820) 9.618 9.175 ( 0.000 19.823 5.115) 20.472 9.393 ( 0.000 -6.820 -6.292) 9.279 9.670 ( 0.000 6.943 -0.859) 6.996 10.159 ( 0.000 -18.152 0.587) 18.161 10.374 ( 0.000 -19.600 -0.292) 19.602 10.964 ( 0.000 -1.997 -11.539) 11.711 10.976 ( 0.000 1.938 -6.562) 6.842 11.188 ( 0.000 15.392 0.378) 15.397 11.608 ( 0.000 13.727 0.444) 13.734 11.620 ( 0.000 -0.034 -4.221) 4.221 11.908 ( 0.000 -1.913 -8.530) 8.742 12.741 ( 0.000 -5.565 2.800) 6.229 12.786 ( 0.000 -10.175 -1.889) 10.348 13.140 ( 0.000 3.692 6.044) 7.083 13.186 ( 0.000 3.626 2.240) 4.262 13.838 ( 0.000 9.015 -1.543) 9.146 14.493 ( 0.000 -16.236 -12.958) 20.773 16.074 ( 0.000 5.683 1.199) 5.808 16.108 ( 0.000 3.194 -0.014) 3.194 17.311 ( 0.000 3.357 3.628) 4.942 17.546 ( 0.000 -7.923 7.645) 11.010 18.165 ( 0.000 16.149 -4.406) 16.739 18.859 ( 0.000 -12.795 -5.417) 13.894 18.911 ( 0.000 0.484 1.656) 1.725 19.106 ( 0.000 -8.678 1.465) 8.801 19.548 ( 0.000 9.318 -4.698) 10.436 19.862 ( 0.000 -4.691 -3.165) 5.659 21.055 ( 0.000 2.918 -19.938) 20.150 21.170 ( 0.000 -1.714 -23.041) 23.105 23.640 ( 0.000 8.346 39.347) 40.222 24.157 ( 0.000 -11.525 31.297) 33.352 25.941 ( 0.000 1.745 -16.813) 16.904 26.011 ( 0.000 -1.003 -13.868) 13.905 ======================= Grid point 145 (52/90) ======================= q-point: ( 0.11 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( 2.633 6.928 8.056) 10.947 1.339 ( -2.221 8.665 8.856) 12.588 1.617 ( -4.797 -11.041 9.486) 15.327 1.756 ( 0.932 -5.171 -0.385) 5.269 1.842 ( 1.341 0.200 2.906) 3.207 1.944 ( 3.082 -0.463 3.515) 4.698 2.083 ( 2.689 8.498 4.271) 9.883 2.425 ( -0.461 6.310 -4.593) 7.818 2.540 ( 4.381 6.099 6.953) 10.234 2.748 ( 8.142 -4.077 14.816) 17.391 2.844 ( -0.548 11.399 -0.672) 11.432 3.065 ( 3.079 -2.319 7.150) 8.123 3.225 ( 7.997 -0.746 5.715) 9.857 3.297 ( 15.529 -3.852 3.808) 16.447 3.437 ( 8.203 -2.312 4.466) 9.622 3.561 ( 3.218 9.557 -2.444) 10.376 3.848 ( 6.053 -11.630 -3.299) 13.520 3.911 ( 0.366 2.326 -2.526) 3.453 3.931 ( -4.118 5.155 -3.050) 7.269 4.338 ( 3.996 2.651 0.205) 4.800 4.991 ( -6.089 0.560 6.853) 9.184 5.122 ( -8.310 -7.277 6.390) 12.761 5.349 ( -7.442 -2.798 7.047) 10.624 5.386 ( -2.766 -2.564 2.428) 4.486 5.639 ( -2.879 1.720 8.177) 8.838 5.815 ( -14.354 9.232 1.439) 17.127 5.878 ( 0.201 -4.908 3.553) 6.062 6.140 ( -6.964 0.142 -8.342) 10.867 6.322 ( 2.443 6.447 -3.536) 7.748 6.676 ( 4.511 -8.632 -5.937) 11.407 6.766 ( -2.316 4.066 -5.874) 7.510 6.954 ( 21.157 4.200 -3.283) 21.818 7.061 ( 27.562 -0.424 -2.575) 27.685 7.152 ( 5.770 -12.030 -0.159) 13.343 7.705 ( 1.315 0.647 20.525) 20.577 7.830 ( 2.454 -2.567 8.046) 8.795 7.965 ( 5.433 3.356 -0.094) 6.387 8.046 ( -1.912 0.103 -1.199) 2.259 9.079 ( 6.170 6.433 -5.665) 10.562 9.216 ( 6.834 18.068 7.788) 20.828 9.467 ( 5.464 -9.056 -6.898) 12.627 9.809 ( 11.825 6.827 -1.837) 13.777 10.125 ( -1.464 -13.381 0.094) 13.462 10.421 ( 2.326 -14.936 0.289) 15.118 10.844 ( -14.900 -1.240 -5.666) 15.989 10.883 ( -8.582 2.083 -4.127) 9.748 11.074 ( -8.857 5.257 -6.031) 11.936 11.216 ( -12.877 7.430 -2.119) 15.017 11.958 ( 7.851 2.341 -5.965) 10.135 12.077 ( 17.041 2.597 -5.128) 17.984 12.683 ( -4.696 -3.794 -0.015) 6.038 12.767 ( -3.350 -6.257 -2.563) 7.546 13.104 ( -2.959 2.826 5.657) 6.982 13.140 ( -2.939 1.971 2.058) 4.094 13.876 ( 2.918 7.812 -1.883) 8.549 14.474 ( -2.026 -15.530 -13.029) 20.373 16.027 ( -3.492 5.362 -0.134) 6.400 16.152 ( 2.964 4.690 0.101) 5.550 17.226 ( -8.577 1.894 3.744) 9.549 17.462 ( -6.866 -7.255 7.568) 12.532 18.109 ( -5.241 15.237 -5.102) 16.902 18.679 ( -13.347 -7.035 -0.784) 15.108 18.919 ( -2.294 -1.372 -5.126) 5.782 19.110 ( -3.604 -7.390 -5.421) 9.848 19.482 ( -3.685 7.027 -2.037) 8.192 19.828 ( -2.360 -7.604 -3.640) 8.754 21.032 ( -2.642 2.920 -16.459) 16.923 21.121 ( -4.764 -0.511 -19.205) 19.794 23.772 ( 12.872 8.043 36.040) 39.106 24.269 ( 10.554 -10.928 27.950) 31.812 25.908 ( -3.359 2.013 -15.203) 15.700 25.991 ( -2.297 -1.218 -13.940) 14.180 ======================= Grid point 146 (53/90) ======================= q-point: ( 0.22 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( -1.030 3.692 6.955) 7.942 1.401 ( 7.625 8.391 2.951) 11.716 1.559 ( -0.457 -8.464 7.668) 11.429 1.790 ( 2.321 -7.640 -4.283) 9.061 1.871 ( 1.703 3.102 1.013) 3.681 1.973 ( -0.488 0.521 -2.108) 2.226 2.089 ( -1.509 6.277 1.608) 6.653 2.444 ( 2.695 1.711 1.424) 3.496 2.566 ( -0.616 6.592 3.237) 7.370 2.815 ( -2.396 -1.566 2.367) 3.714 2.864 ( 1.867 4.370 1.735) 5.059 3.199 ( 7.292 7.669 6.374) 12.354 3.344 ( 6.303 4.116 2.413) 7.905 3.552 ( 7.138 -2.414 2.754) 8.023 3.607 ( 5.182 -4.148 -6.918) 9.587 3.777 ( 14.582 3.506 1.821) 15.108 3.867 ( -0.258 -5.236 -6.163) 8.091 3.940 ( 5.357 6.892 0.421) 8.739 4.023 ( 9.876 -11.049 1.390) 14.885 4.397 ( 2.697 -4.117 3.024) 5.777 4.920 ( 0.117 1.989 1.937) 2.779 5.013 ( -1.820 -4.150 5.484) 7.114 5.219 ( -5.513 -0.523 0.467) 5.557 5.279 ( -9.766 -3.320 0.732) 10.341 5.577 ( -5.391 13.787 1.673) 14.898 5.601 ( -1.696 0.854 4.471) 4.858 5.895 ( -6.775 -3.702 -7.072) 10.470 5.959 ( -2.015 -4.430 -0.231) 4.873 6.292 ( -6.077 11.979 -8.569) 15.933 6.629 ( -1.280 1.606 -6.320) 6.645 6.850 ( 6.746 -3.936 1.785) 8.012 7.213 ( 5.793 -14.227 1.029) 15.396 7.470 ( 16.932 0.302 4.077) 17.419 7.568 ( 16.042 -3.108 10.633) 19.495 7.773 ( 8.155 4.175 3.962) 9.982 7.884 ( 4.099 1.692 -1.929) 4.836 8.061 ( 9.029 6.469 3.018) 11.510 8.263 ( 25.021 -5.918 14.904) 29.718 9.168 ( 3.563 7.499 0.547) 8.321 9.450 ( 12.078 7.872 -1.463) 14.491 9.571 ( 6.271 -5.240 1.086) 8.244 9.965 ( 1.833 1.476 -0.906) 2.522 10.120 ( -6.580 3.799 4.936) 9.060 10.354 ( -6.498 -6.211 0.613) 9.010 10.530 ( -11.684 -0.949 -8.518) 14.490 10.739 ( -2.380 -9.516 -2.369) 10.091 10.869 ( -8.169 5.172 -10.120) 13.996 11.131 ( -1.069 -0.936 -1.229) 1.878 12.056 ( 2.933 3.433 -1.420) 4.733 12.278 ( 0.096 -2.548 -3.787) 4.565 12.578 ( -8.325 2.730 -5.302) 10.241 12.672 ( -3.024 -1.427 -6.379) 7.202 13.063 ( 1.757 2.203 1.923) 3.411 13.157 ( 4.830 -1.358 -0.484) 5.041 13.917 ( 0.737 5.496 -2.913) 6.264 14.406 ( -5.148 -14.015 -13.500) 20.129 15.939 ( -5.529 6.648 -2.624) 9.036 16.211 ( 2.966 7.617 -1.133) 8.252 17.009 ( -11.707 -2.195 2.743) 12.223 17.344 ( -4.317 -6.685 5.398) 9.616 17.985 ( -6.849 12.379 -6.163) 15.432 18.402 ( -14.112 -6.690 -3.883) 16.093 18.785 ( -12.252 3.872 -11.750) 17.412 18.862 ( -18.556 2.430 -14.486) 23.666 19.522 ( 6.915 -4.182 2.035) 8.334 19.820 ( 2.127 -13.011 -3.368) 13.607 20.945 ( -6.022 3.834 -10.063) 12.338 21.000 ( -7.054 2.796 -10.070) 12.609 24.110 ( 20.543 6.855 27.577) 35.064 24.529 ( 14.977 -9.003 20.358) 26.829 25.808 ( -6.868 2.359 -11.952) 13.985 25.908 ( -6.502 -1.446 -12.821) 14.448 ======================= Grid point 147 (54/90) ======================= q-point: ( 0.33 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( 4.542 5.410 -0.814) 7.111 1.577 ( 9.025 5.599 2.746) 10.970 1.604 ( 4.624 -9.469 -1.240) 10.611 1.802 ( -3.293 -4.825 -7.121) 9.211 1.902 ( 1.044 3.504 -1.013) 3.794 1.941 ( -0.825 -2.683 -3.204) 4.260 2.056 ( -1.508 7.097 4.518) 8.547 2.498 ( 2.317 -1.414 2.265) 3.535 2.601 ( 6.272 5.298 -8.375) 11.728 2.770 ( -0.812 -3.172 -2.508) 4.125 2.892 ( 1.179 7.220 0.523) 7.334 3.235 ( -3.120 5.029 -4.831) 7.640 3.475 ( -2.300 4.628 -4.964) 7.166 3.502 ( -3.722 -1.600 -5.919) 7.173 3.644 ( -0.207 1.532 -3.208) 3.562 3.896 ( 1.047 -5.439 -3.509) 6.557 3.938 ( 4.899 4.240 6.163) 8.942 4.067 ( 2.449 -0.389 -3.644) 4.408 4.268 ( 12.917 -9.277 -0.101) 15.904 4.474 ( 4.546 -8.181 2.066) 9.585 4.968 ( 1.634 1.515 -1.791) 2.859 5.029 ( 2.614 -3.362 0.288) 4.268 5.128 ( 1.175 0.118 3.258) 3.466 5.167 ( -0.584 -1.164 0.560) 1.418 5.487 ( -3.905 9.595 1.047) 10.412 5.604 ( -0.104 2.825 2.805) 3.982 5.694 ( -8.769 2.833 -8.498) 12.536 6.044 ( 5.661 -10.228 4.114) 12.393 6.163 ( -5.012 15.057 -8.857) 18.173 6.670 ( 4.646 3.542 -0.817) 5.899 6.966 ( 4.410 -4.928 2.789) 7.177 7.264 ( -1.342 -15.236 -0.136) 15.296 7.675 ( 5.576 0.676 13.709) 14.815 7.698 ( 5.105 -1.102 20.952) 21.593 7.852 ( 1.693 5.565 4.525) 7.370 7.979 ( 3.625 1.859 7.519) 8.551 8.547 ( 31.713 4.932 -2.229) 32.172 8.827 ( 27.196 -8.338 1.978) 28.514 9.250 ( 6.458 6.367 1.984) 9.283 9.492 ( -3.777 -7.850 -1.251) 8.800 9.731 ( -5.740 6.408 4.433) 9.678 9.861 ( -0.648 6.969 3.235) 7.710 9.896 ( -12.217 5.150 2.063) 13.418 10.189 ( -5.616 -4.737 -6.092) 9.544 10.467 ( -3.394 -2.008 -10.657) 11.363 10.753 ( 3.585 2.666 -5.724) 7.261 10.835 ( 4.076 -6.183 4.265) 8.546 11.110 ( -1.182 -3.491 1.284) 3.903 12.081 ( -1.033 1.998 -1.151) 2.527 12.183 ( -5.039 -0.292 -1.106) 5.167 12.366 ( -11.011 4.221 -7.007) 13.717 12.577 ( -7.685 -1.976 -4.983) 9.370 13.196 ( 8.271 0.368 -7.607) 11.243 13.333 ( 13.290 0.276 -5.962) 14.569 13.902 ( -1.983 2.148 -4.712) 5.545 14.268 ( -8.894 -12.346 -14.435) 20.974 15.821 ( -5.859 7.993 -6.556) 11.883 16.269 ( 3.092 14.493 -2.282) 14.994 16.816 ( -7.691 -11.477 -3.845) 14.341 17.308 ( 0.729 -7.778 3.319) 8.488 17.851 ( -6.887 8.274 -5.756) 12.208 18.140 ( -11.964 -5.867 -11.094) 17.339 18.405 ( -20.661 11.428 -17.916) 29.639 18.585 ( -11.038 3.823 -11.449) 16.357 19.687 ( 8.592 -11.122 0.235) 14.056 19.898 ( 5.033 -16.828 -3.299) 17.872 20.811 ( -7.137 7.266 -3.992) 10.939 20.863 ( -6.320 6.783 -1.305) 9.362 24.544 ( 22.859 4.633 16.655) 28.660 24.833 ( 15.588 -6.309 11.384) 20.308 25.636 ( -10.759 2.316 -7.713) 13.439 25.729 ( -11.634 -1.189 -9.721) 15.208 ======================= Grid point 148 (55/90) ======================= q-point: ( 0.44 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( 9.455 4.063 -8.036) 13.057 1.647 ( -6.271 2.860 -6.820) 9.697 1.666 ( -1.100 -2.754 -4.406) 5.311 1.758 ( 6.099 -2.493 2.122) 6.922 1.900 ( -0.875 -0.775 -2.530) 2.787 1.963 ( 2.009 -7.047 -1.958) 7.585 2.017 ( -2.674 8.137 5.375) 10.112 2.607 ( 7.302 -2.475 -4.804) 9.084 2.756 ( 7.074 11.293 -11.541) 17.628 2.821 ( 7.221 -4.423 -9.621) 12.816 2.931 ( 4.551 2.823 -2.602) 5.955 3.042 ( -14.717 1.304 -13.575) 20.064 3.190 ( -17.250 -1.095 -13.852) 22.150 3.579 ( 4.082 3.828 -3.399) 6.548 3.635 ( -0.149 0.832 -0.354) 0.917 3.851 ( -3.607 -0.061 0.452) 3.636 4.036 ( 3.681 6.021 1.405) 7.196 4.072 ( -0.634 3.962 -1.542) 4.298 4.433 ( 3.958 -12.508 -1.381) 13.192 4.544 ( 2.079 -11.488 0.176) 11.676 4.958 ( -0.882 -2.537 -6.343) 6.888 5.041 ( -0.742 -8.458 -5.545) 10.140 5.222 ( 4.463 7.791 1.120) 9.048 5.314 ( 12.451 1.389 7.107) 14.403 5.421 ( -2.765 2.363 3.443) 5.008 5.535 ( -8.801 0.700 2.059) 9.066 5.593 ( -0.588 9.802 -1.658) 9.958 6.076 ( -1.152 18.405 -6.115) 19.429 6.160 ( 2.377 -13.475 0.980) 13.718 6.786 ( 5.752 8.482 2.447) 10.536 7.003 ( -0.785 -11.903 -1.042) 11.974 7.191 ( -3.668 -7.654 1.352) 8.595 7.730 ( 1.390 0.840 17.519) 17.594 7.820 ( 4.776 -3.436 18.608) 19.516 7.881 ( 0.957 6.111 11.999) 13.499 8.030 ( 1.236 1.433 13.840) 13.968 9.047 ( 11.344 0.631 3.773) 11.971 9.166 ( 13.627 -1.302 0.769) 13.711 9.363 ( -4.917 -1.338 3.864) 6.395 9.525 ( 1.115 -5.166 -6.049) 8.033 9.596 ( 12.130 1.638 -5.698) 13.501 9.673 ( -5.522 2.721 3.367) 7.016 9.818 ( -6.856 6.594 -7.902) 12.366 10.024 ( -14.860 -2.912 -10.964) 18.695 10.509 ( 8.659 4.574 4.299) 10.695 10.757 ( -4.753 8.106 1.275) 9.483 10.953 ( 6.099 -10.583 8.299) 14.767 11.089 ( -1.226 -4.768 0.169) 4.926 12.018 ( -2.524 3.398 -3.553) 5.527 12.133 ( -3.311 7.954 -4.570) 9.753 12.240 ( 0.505 -4.120 -4.449) 6.084 12.420 ( -6.654 -1.771 -4.247) 8.090 13.321 ( 3.801 0.868 -9.892) 10.632 13.600 ( 10.310 5.813 -7.678) 14.109 13.874 ( 0.775 -7.712 -11.256) 13.666 14.069 ( -10.145 -9.649 -13.528) 19.469 15.734 ( -2.472 8.099 -9.858) 12.996 16.331 ( 2.592 26.355 -0.435) 26.486 16.702 ( -3.668 -26.891 -14.347) 30.699 17.360 ( 3.526 -10.891 1.509) 11.546 17.697 ( -7.514 4.510 -6.017) 10.630 17.995 ( -1.159 5.561 -14.730) 15.787 18.092 ( -10.527 8.969 -13.410) 19.264 18.432 ( -4.024 4.987 -12.434) 13.988 19.820 ( 4.016 -16.820 -1.797) 17.385 19.983 ( 2.764 -19.628 -4.463) 20.318 20.695 ( -3.675 12.483 1.493) 13.098 20.770 ( -2.684 9.919 3.022) 10.710 24.978 ( 20.059 1.639 5.811) 20.948 25.128 ( 13.635 -4.359 2.307) 14.500 25.383 ( -14.843 2.687 -1.624) 15.171 25.471 ( -13.169 -0.263 -4.095) 13.794 ======================= Grid point 153 (56/90) ======================= q-point: ( 0.00 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( 0.000 -12.605 0.821) 12.632 1.405 ( 0.000 12.605 0.821) 12.632 1.568 ( 0.000 -9.406 10.969) 14.450 1.568 ( 0.000 9.406 10.969) 14.450 1.873 ( 0.000 -3.339 6.878) 7.645 1.873 ( 0.000 3.339 6.878) 7.645 2.308 ( 0.000 -13.499 4.611) 14.265 2.308 ( 0.000 13.499 4.611) 14.265 2.612 ( 0.000 -4.269 14.677) 15.285 2.612 ( 0.000 4.269 14.677) 15.285 2.986 ( 0.000 -6.189 4.148) 7.450 2.986 ( 0.000 6.189 4.148) 7.450 3.167 ( 0.000 -3.348 -0.161) 3.352 3.167 ( 0.000 3.348 -0.161) 3.352 3.365 ( 0.000 -12.656 -1.020) 12.697 3.365 ( 0.000 12.656 -1.020) 12.697 3.823 ( 0.000 -7.920 -11.781) 14.195 3.823 ( 0.000 7.920 -11.781) 14.195 4.264 ( 0.000 -8.787 3.580) 9.488 4.264 ( 0.000 8.787 3.580) 9.488 5.091 ( 0.000 -2.948 7.237) 7.814 5.091 ( 0.000 2.948 7.237) 7.814 5.382 ( 0.000 -1.263 10.672) 10.746 5.382 ( 0.000 1.263 10.672) 10.746 5.751 ( 0.000 -4.393 2.694) 5.153 5.751 ( 0.000 4.393 2.694) 5.153 6.174 ( 0.000 -2.745 -1.018) 2.927 6.174 ( 0.000 2.745 -1.018) 2.927 6.473 ( 0.000 -10.659 -0.010) 10.659 6.473 ( 0.000 10.659 -0.010) 10.659 6.595 ( 0.000 -2.742 -0.352) 2.764 6.595 ( 0.000 2.742 -0.352) 2.764 7.005 ( 0.000 -6.622 -7.546) 10.040 7.005 ( 0.000 6.622 -7.546) 10.040 7.717 ( 0.000 -3.124 22.444) 22.660 7.717 ( 0.000 3.124 22.444) 22.660 8.020 ( 0.000 -4.130 -12.879) 13.525 8.020 ( 0.000 4.130 -12.879) 13.525 9.203 ( 0.000 -10.336 -6.516) 12.218 9.203 ( 0.000 10.336 -6.516) 12.218 9.628 ( 0.000 -19.249 2.711) 19.439 9.628 ( 0.000 19.249 2.711) 19.439 9.998 ( 0.000 -12.373 -0.425) 12.380 9.998 ( 0.000 12.373 -0.425) 12.380 10.966 ( 0.000 -1.508 -11.823) 11.919 10.966 ( 0.000 1.508 -11.823) 11.919 11.516 ( 0.000 -11.900 -1.737) 12.027 11.516 ( 0.000 11.900 -1.737) 12.027 11.818 ( 0.000 -6.278 -4.800) 7.903 11.818 ( 0.000 6.278 -4.800) 7.903 12.665 ( 0.000 -0.202 1.808) 1.819 12.665 ( 0.000 0.202 1.808) 1.819 13.204 ( 0.000 -1.645 4.471) 4.764 13.204 ( 0.000 1.645 4.471) 4.764 14.120 ( 0.000 -16.748 -7.934) 18.532 14.120 ( 0.000 16.748 -7.934) 18.532 16.148 ( 0.000 -0.473 1.999) 2.054 16.148 ( 0.000 0.473 1.999) 2.054 17.405 ( 0.000 -5.426 5.857) 7.984 17.405 ( 0.000 5.426 5.857) 7.984 18.528 ( 0.000 -17.154 -4.751) 17.800 18.528 ( 0.000 17.154 -4.751) 17.800 18.959 ( 0.000 -4.605 0.105) 4.606 18.959 ( 0.000 4.605 0.105) 4.606 19.728 ( 0.000 -7.571 -3.473) 8.330 19.728 ( 0.000 7.571 -3.473) 8.330 21.120 ( 0.000 -2.865 -21.684) 21.872 21.120 ( 0.000 2.865 -21.684) 21.872 23.878 ( 0.000 -13.240 36.419) 38.751 23.878 ( 0.000 13.240 36.419) 38.751 25.981 ( 0.000 -1.759 -15.084) 15.186 25.981 ( 0.000 1.759 -15.084) 15.186 ======================= Grid point 155 (57/90) ======================= q-point: ( 0.11 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( -2.791 -9.864 5.268) 11.526 1.372 ( -2.791 9.864 5.268) 11.526 1.565 ( 0.888 -10.587 4.883) 11.693 1.565 ( 0.888 10.587 4.883) 11.693 1.907 ( 2.612 -3.307 4.018) 5.823 1.907 ( 2.612 3.307 4.018) 5.823 2.337 ( 0.118 -12.451 2.859) 12.776 2.337 ( 0.118 12.451 2.859) 12.776 2.639 ( 3.041 -3.715 13.758) 14.571 2.639 ( 3.041 3.715 13.758) 14.571 3.068 ( 6.878 -7.175 3.273) 10.464 3.068 ( 6.878 7.175 3.273) 10.464 3.237 ( 7.875 -10.305 -0.082) 12.969 3.237 ( 7.875 10.305 -0.082) 12.969 3.497 ( 11.626 -12.463 1.062) 17.077 3.497 ( 11.626 12.463 1.062) 17.077 3.797 ( -2.099 -8.420 -10.747) 13.813 3.797 ( -2.099 8.420 -10.747) 13.813 4.221 ( -3.415 -12.448 4.051) 13.529 4.221 ( -3.415 12.448 4.051) 13.529 5.019 ( -4.974 -2.747 7.431) 9.355 5.019 ( -4.974 2.747 7.431) 9.355 5.326 ( -4.523 -1.279 4.555) 6.545 5.326 ( -4.523 1.279 4.555) 6.545 5.741 ( -1.123 -6.141 5.053) 8.032 5.741 ( -1.123 6.141 5.053) 8.032 6.044 ( -10.983 -8.879 -1.921) 14.253 6.044 ( -10.983 8.879 -1.921) 14.253 6.481 ( 5.846 -8.521 -3.830) 11.021 6.481 ( 5.846 8.521 -3.830) 11.021 6.911 ( 1.974 -9.158 -3.095) 9.866 6.911 ( 1.974 9.158 -3.095) 9.866 7.031 ( 21.999 -2.404 -2.754) 22.300 7.031 ( 21.999 2.404 -2.754) 22.300 7.749 ( 3.403 -3.520 18.970) 19.591 7.749 ( 3.403 3.520 18.970) 19.591 8.033 ( 1.680 -2.329 -5.836) 6.505 8.033 ( 1.680 2.329 -5.836) 6.505 9.259 ( 4.659 -9.856 -7.531) 13.250 9.259 ( 4.659 9.856 -7.531) 13.250 9.647 ( 3.680 -20.019 6.189) 21.275 9.647 ( 3.680 20.019 6.189) 21.275 10.114 ( 9.603 -12.109 -2.277) 15.622 10.114 ( 9.603 12.109 -2.277) 15.622 10.870 ( -11.617 -2.485 -7.812) 14.218 10.870 ( -11.617 2.485 -7.812) 14.218 11.226 ( -16.227 -6.091 -4.852) 17.999 11.226 ( -16.227 6.091 -4.852) 17.999 12.046 ( 11.871 -4.614 -3.464) 13.199 12.046 ( 11.871 4.614 -3.464) 13.199 12.664 ( -0.115 -2.491 -1.235) 2.783 12.664 ( -0.115 2.491 -1.235) 2.783 13.152 ( -4.119 -1.123 3.770) 5.696 13.152 ( -4.119 1.123 3.770) 5.696 14.125 ( 0.077 -15.242 -7.817) 17.129 14.125 ( 0.077 15.242 -7.817) 17.129 16.152 ( 0.319 -4.464 1.050) 4.597 16.152 ( 0.319 4.464 1.050) 4.597 17.317 ( -8.089 -6.221 5.725) 11.701 17.317 ( -8.089 6.221 5.725) 11.701 18.440 ( -8.490 -14.570 -4.242) 17.389 18.440 ( -8.490 14.570 -4.242) 17.389 18.960 ( -0.797 -5.375 -2.906) 6.163 18.960 ( -0.797 5.375 -2.906) 6.163 19.649 ( -6.662 -8.450 -5.024) 11.875 19.649 ( -6.662 8.450 -5.024) 11.875 21.092 ( -2.867 -2.261 -17.472) 17.850 21.092 ( -2.867 2.261 -17.472) 17.850 24.002 ( 11.905 -12.754 32.906) 37.245 24.002 ( 11.905 12.754 32.906) 37.245 25.955 ( -2.796 -2.109 -14.316) 14.738 25.955 ( -2.796 2.109 -14.316) 14.738 ======================= Grid point 157 (58/90) ======================= q-point: ( 0.22 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( -0.074 -8.725 4.835) 9.976 1.334 ( -0.074 8.725 4.835) 9.976 1.615 ( 3.683 -8.541 -1.568) 9.432 1.615 ( 3.683 8.541 -1.568) 9.432 1.952 ( 1.467 -2.737 0.973) 3.254 1.952 ( 1.467 2.737 0.973) 3.254 2.305 ( -1.770 -12.024 4.772) 13.057 2.305 ( -1.770 12.024 4.772) 13.057 2.664 ( -1.242 -4.701 6.516) 8.130 2.664 ( -1.242 4.701 6.516) 8.130 3.190 ( 4.333 -12.122 -1.125) 12.922 3.190 ( 4.333 12.122 -1.125) 12.922 3.475 ( 14.737 -7.245 1.558) 16.495 3.475 ( 14.737 7.245 1.558) 16.495 3.624 ( -2.771 -11.248 -5.185) 12.691 3.624 ( -2.771 11.248 -5.185) 12.691 3.868 ( 10.697 -4.256 -1.341) 11.590 3.868 ( 10.697 4.256 -1.341) 11.590 4.186 ( 1.185 -12.559 2.362) 12.834 4.186 ( 1.185 12.559 2.362) 12.834 4.965 ( -0.163 -1.614 3.680) 4.022 4.965 ( -0.163 1.614 3.680) 4.022 5.217 ( -6.390 -1.275 0.124) 6.517 5.217 ( -6.390 1.275 0.124) 6.517 5.720 ( -0.602 -8.585 7.290) 11.279 5.720 ( -0.602 8.585 7.290) 11.279 5.845 ( -8.206 -8.469 -6.385) 13.410 5.845 ( -8.206 8.469 -6.385) 13.410 6.543 ( -0.183 -9.871 -6.335) 11.731 6.543 ( -0.183 9.871 -6.335) 11.731 6.914 ( 3.307 -10.817 0.607) 11.327 6.914 ( 3.307 10.817 0.607) 11.327 7.507 ( 16.468 -2.463 7.597) 18.302 7.507 ( 16.468 2.463 7.597) 18.302 7.867 ( 7.441 -3.546 2.458) 8.601 7.867 ( 7.441 3.546 2.458) 8.601 8.162 ( 16.304 -3.743 6.866) 18.083 8.162 ( 16.304 3.743 6.866) 18.083 9.333 ( 2.216 -8.469 -4.727) 9.949 9.333 ( 2.216 8.469 -4.727) 9.949 9.811 ( 12.150 -14.417 5.889) 19.753 9.811 ( 12.150 14.417 5.889) 19.753 10.234 ( -4.482 -5.907 3.135) 8.051 10.234 ( -4.482 5.907 3.135) 8.051 10.555 ( -11.426 -5.263 -7.694) 14.746 10.555 ( -11.426 5.263 -7.694) 14.746 11.031 ( -5.189 -7.763 -7.485) 11.968 11.031 ( -5.189 7.763 -7.485) 11.968 12.170 ( 0.911 -6.407 0.048) 6.472 12.170 ( 0.911 6.407 0.048) 6.472 12.635 ( -4.234 -2.216 -6.411) 7.996 12.635 ( -4.234 2.216 -6.411) 7.996 13.121 ( 2.989 -2.473 -0.888) 3.979 13.121 ( 2.989 2.473 -0.888) 3.979 14.104 ( -2.565 -12.296 -8.026) 14.906 14.104 ( -2.565 12.296 -8.026) 14.906 16.152 ( -0.617 -10.460 -2.155) 10.697 16.152 ( -0.617 10.460 -2.155) 10.697 17.140 ( -8.649 -11.425 5.137) 15.222 17.140 ( -8.649 11.425 5.137) 15.222 18.231 ( -11.823 -9.845 -5.206) 16.242 18.231 ( -11.823 9.845 -5.206) 16.242 18.860 ( -10.445 -3.011 -10.126) 14.856 18.860 ( -10.445 3.011 -10.126) 14.856 19.559 ( -0.725 -8.796 -5.073) 10.180 19.559 ( -0.725 8.796 -5.073) 10.180 21.014 ( -4.733 -1.709 -8.830) 10.163 21.014 ( -4.733 1.709 -8.830) 10.163 24.306 ( 18.009 -10.805 24.402) 32.195 24.306 ( 18.009 10.805 24.402) 32.195 25.864 ( -6.639 -2.543 -12.136) 14.065 25.864 ( -6.639 2.543 -12.136) 14.065 ======================= Grid point 159 (59/90) ======================= q-point: ( 0.33 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( 5.299 -9.650 -1.586) 11.122 1.387 ( 5.299 9.650 -1.586) 11.122 1.688 ( 3.331 -4.720 -4.031) 7.045 1.688 ( 3.331 4.720 -4.031) 7.045 1.944 ( -2.743 -0.168 -0.848) 2.876 1.944 ( -2.743 0.168 -0.848) 2.876 2.304 ( 1.769 -14.733 7.430) 16.594 2.304 ( 1.769 14.733 7.430) 16.594 2.644 ( 1.239 -2.942 -3.365) 4.638 2.644 ( 1.239 2.942 -3.365) 4.638 3.236 ( 0.123 -11.325 -3.952) 11.995 3.236 ( 0.123 11.325 -3.952) 11.995 3.488 ( -9.828 -3.626 -9.486) 14.132 3.488 ( -9.828 3.626 -9.486) 14.132 3.719 ( 7.984 -6.464 -2.319) 10.531 3.719 ( 7.984 6.464 -2.319) 10.531 4.033 ( 6.675 -3.173 3.566) 8.206 4.033 ( 6.675 3.173 3.566) 8.206 4.264 ( 4.241 -8.126 -2.391) 9.473 4.264 ( 4.241 8.126 -2.391) 9.473 4.976 ( -1.428 -0.810 -3.825) 4.163 4.976 ( -1.428 0.810 -3.825) 4.163 5.146 ( 3.086 -0.855 3.917) 5.059 5.146 ( 3.086 0.855 3.917) 5.059 5.663 ( -6.112 -2.174 3.108) 7.193 5.663 ( -6.112 2.174 3.108) 7.193 5.788 ( 2.272 -9.964 -2.160) 10.445 5.788 ( 2.272 9.964 -2.160) 10.445 6.534 ( 0.237 -15.963 -4.619) 16.620 6.534 ( 0.237 15.963 -4.619) 16.620 6.993 ( 3.352 -8.508 2.228) 9.412 6.993 ( 3.352 8.508 2.228) 9.412 7.684 ( 5.215 -0.325 17.895) 18.642 7.684 ( 5.215 0.325 17.895) 18.642 7.958 ( 2.825 -3.609 4.963) 6.756 7.958 ( 2.825 3.609 4.963) 6.756 8.672 ( 29.138 -6.467 -0.304) 29.849 8.672 ( 29.138 6.467 -0.304) 29.849 9.357 ( 0.930 -4.899 0.778) 5.047 9.357 ( 0.930 4.899 0.778) 5.047 9.887 ( -17.197 -5.268 3.983) 18.422 9.887 ( -17.197 5.268 3.983) 18.422 10.044 ( 3.036 -8.489 -4.097) 9.903 10.044 ( 3.036 8.489 -4.097) 9.903 10.538 ( 4.340 -9.395 -1.762) 10.498 10.538 ( 4.340 9.395 -1.762) 10.498 10.982 ( -0.682 -8.333 -3.318) 8.995 10.982 ( -0.682 8.333 -3.318) 8.995 12.135 ( -2.682 -2.932 0.197) 3.979 12.135 ( -2.682 2.932 0.197) 3.979 12.491 ( -9.213 -5.952 -5.708) 12.365 12.491 ( -9.213 5.952 -5.708) 12.365 13.271 ( 10.759 -5.142 -9.603) 15.310 13.271 ( 10.759 5.142 -9.603) 15.310 14.018 ( -6.127 -9.214 -8.662) 14.052 14.018 ( -6.127 9.214 -8.662) 14.052 16.125 ( -1.936 -17.833 -7.764) 19.546 16.125 ( -1.936 17.833 -7.764) 19.546 17.012 ( -4.048 -18.909 4.426) 19.837 17.012 ( -4.048 18.909 4.426) 19.837 18.002 ( -10.944 -6.648 -7.172) 14.677 18.002 ( -10.944 6.648 -7.172) 14.677 18.606 ( -12.859 -3.885 -14.466) 19.741 18.606 ( -12.859 3.885 -14.466) 19.741 19.606 ( 4.100 -6.615 -4.904) 9.199 19.606 ( 4.100 6.615 -4.904) 9.199 20.921 ( -4.391 -1.764 -1.126) 4.864 20.921 ( -4.391 1.764 -1.126) 4.864 24.678 ( 19.251 -7.443 14.032) 24.958 24.678 ( 19.251 7.443 14.032) 24.958 25.690 ( -11.070 -2.418 -8.457) 14.140 25.690 ( -11.070 2.418 -8.457) 14.140 ======================= Grid point 161 (60/90) ======================= q-point: ( 0.44 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( 4.837 -7.751 -7.649) 11.916 1.505 ( 4.837 7.751 -7.649) 11.916 1.746 ( 2.944 -3.050 -3.876) 5.744 1.746 ( 2.944 3.050 -3.876) 5.744 1.853 ( -5.404 -2.696 -0.165) 6.041 1.853 ( -5.404 2.696 -0.165) 6.041 2.351 ( 1.886 -18.154 7.738) 19.824 2.351 ( 1.886 18.154 7.738) 19.824 2.757 ( 9.575 -2.217 -12.065) 15.562 2.757 ( 9.575 2.217 -12.065) 15.562 3.108 ( -12.960 -2.332 -13.989) 19.212 3.108 ( -12.960 2.332 -13.989) 19.212 3.352 ( -1.684 -17.241 -5.774) 18.260 3.352 ( -1.684 17.241 -5.774) 18.260 3.795 ( 1.105 -5.938 -0.375) 6.051 3.795 ( 1.105 5.938 -0.375) 6.051 4.168 ( 6.039 -3.568 -0.329) 7.022 4.168 ( 6.039 3.568 -0.329) 7.022 4.288 ( -1.507 -8.161 -2.003) 8.538 4.288 ( -1.507 8.161 -2.003) 8.538 4.923 ( -1.962 -1.563 -8.160) 8.537 4.923 ( -1.962 1.563 -8.160) 8.537 5.317 ( 11.052 -1.875 6.016) 12.723 5.317 ( 11.052 1.875 6.016) 12.723 5.518 ( -8.730 -3.436 4.417) 10.370 5.518 ( -8.730 3.436 4.417) 10.370 5.838 ( 1.656 -13.095 -1.407) 13.274 5.838 ( 1.656 13.095 -1.407) 13.274 6.552 ( 0.988 -21.852 -4.328) 22.298 6.552 ( 0.988 21.852 -4.328) 22.298 7.027 ( 0.409 -7.860 3.285) 8.528 7.027 ( 0.409 7.860 3.285) 8.528 7.763 ( 2.584 -2.039 18.436) 18.727 7.763 ( 2.584 2.039 18.436) 18.727 7.999 ( 1.126 -4.136 11.909) 12.657 7.999 ( 1.126 4.136 11.909) 12.657 9.094 ( 9.468 -3.660 6.948) 12.301 9.094 ( 9.468 3.660 6.948) 12.301 9.417 ( 4.764 -4.710 -5.109) 8.425 9.417 ( 4.764 4.710 -5.109) 8.425 9.659 ( -0.424 -3.184 -1.978) 3.772 9.659 ( -0.424 3.184 -1.978) 3.772 9.938 ( -12.251 -4.890 -10.739) 17.009 9.938 ( -12.251 4.890 -10.739) 17.009 10.696 ( 8.891 -11.923 7.728) 16.761 10.696 ( 8.891 11.923 7.728) 16.761 10.947 ( -3.457 -8.358 0.179) 9.047 10.947 ( -3.457 8.358 0.179) 9.047 12.112 ( 0.461 -5.197 -2.213) 5.667 12.112 ( 0.461 5.197 -2.213) 5.667 12.326 ( -6.052 -6.979 -5.043) 10.524 12.326 ( -6.052 6.979 -5.043) 10.524 13.479 ( 8.369 -12.343 -15.381) 21.423 13.479 ( 8.369 12.343 -15.381) 21.423 13.883 ( -6.177 -7.252 -8.132) 12.525 13.883 ( -6.177 7.252 -8.132) 12.525 16.090 ( -1.164 -23.251 -12.948) 26.639 16.090 ( -1.164 23.251 -12.948) 26.639 16.971 ( -0.634 -25.069 4.054) 25.402 16.971 ( -0.634 25.069 4.054) 25.402 17.833 ( -5.142 -8.137 -8.035) 12.538 17.833 ( -5.142 8.137 -8.035) 12.538 18.425 ( -4.816 -7.979 -14.888) 17.564 18.425 ( -4.816 7.979 -14.888) 17.564 19.674 ( 2.085 -5.551 -5.782) 8.282 19.674 ( 2.085 5.551 -5.782) 8.282 20.857 ( -1.816 -2.042 3.319) 4.300 20.857 ( -1.816 2.042 3.319) 4.300 25.036 ( 15.772 -3.794 3.745) 16.649 25.036 ( 15.772 3.794 3.745) 16.649 25.442 ( -12.898 -2.401 -2.459) 13.348 25.442 ( -12.898 2.401 -2.459) 13.348 ======================= Grid point 180 (61/90) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( 0.000 0.000 8.488) 8.488 1.505 ( 0.000 0.000 8.330) 8.330 1.770 ( 0.000 0.000 -18.773) 18.773 1.820 ( 0.000 0.000 -1.428) 1.428 1.928 ( 0.000 0.000 2.642) 2.642 1.988 ( 0.000 0.000 0.999) 0.999 2.027 ( 0.000 0.000 2.976) 2.976 2.066 ( 0.000 0.000 2.731) 2.731 2.498 ( 0.000 0.000 13.087) 13.087 2.929 ( 0.000 0.000 11.169) 11.169 2.981 ( 0.000 0.000 -4.670) 4.670 3.103 ( 0.000 0.000 16.668) 16.668 3.304 ( 0.000 0.000 -5.642) 5.642 3.338 ( 0.000 0.000 4.542) 4.542 3.369 ( 0.000 0.000 4.752) 4.752 3.631 ( 0.000 0.000 -7.166) 7.166 3.826 ( 0.000 0.000 9.594) 9.594 3.830 ( 0.000 0.000 2.827) 2.827 3.973 ( 0.000 0.000 -1.338) 1.338 4.054 ( 0.000 0.000 -4.823) 4.823 5.211 ( 0.000 0.000 6.131) 6.131 5.330 ( 0.000 0.000 -1.954) 1.954 5.544 ( 0.000 0.000 10.702) 10.702 5.878 ( 0.000 0.000 16.669) 16.669 5.926 ( 0.000 0.000 0.207) 0.207 5.969 ( 0.000 0.000 -2.923) 2.923 6.021 ( 0.000 0.000 -4.404) 4.404 6.042 ( 0.000 0.000 13.135) 13.135 6.094 ( 0.000 0.000 -1.600) 1.600 6.529 ( 0.000 0.000 -13.149) 13.149 6.531 ( 0.000 0.000 -5.999) 5.999 6.542 ( 0.000 0.000 4.303) 4.303 6.880 ( 0.000 0.000 -7.305) 7.305 6.926 ( 0.000 0.000 -16.325) 16.325 7.539 ( 0.000 0.000 -6.592) 6.592 7.765 ( 0.000 0.000 -11.216) 11.216 8.267 ( 0.000 0.000 25.653) 25.653 8.454 ( 0.000 0.000 23.703) 23.703 8.819 ( 0.000 0.000 -3.231) 3.231 9.144 ( 0.000 0.000 9.658) 9.658 9.343 ( 0.000 0.000 -17.230) 17.230 9.402 ( 0.000 0.000 -4.615) 4.615 10.382 ( 0.000 0.000 -2.595) 2.595 10.466 ( 0.000 0.000 -10.553) 10.553 10.950 ( 0.000 0.000 3.889) 3.889 10.953 ( 0.000 0.000 3.512) 3.512 11.177 ( 0.000 0.000 7.581) 7.581 11.398 ( 0.000 0.000 2.344) 2.344 11.481 ( 0.000 0.000 -6.474) 6.474 11.703 ( 0.000 0.000 -11.571) 11.571 12.836 ( 0.000 0.000 0.336) 0.336 12.890 ( 0.000 0.000 -3.648) 3.648 13.129 ( 0.000 0.000 2.872) 2.872 13.192 ( 0.000 0.000 2.209) 2.209 13.834 ( 0.000 0.000 8.177) 8.177 14.380 ( 0.000 0.000 -16.058) 16.058 15.999 ( 0.000 0.000 0.640) 0.640 16.034 ( 0.000 0.000 -1.334) 1.334 17.379 ( 0.000 0.000 7.467) 7.467 17.750 ( 0.000 0.000 -9.499) 9.499 17.988 ( 0.000 0.000 17.598) 17.598 18.783 ( 0.000 0.000 -17.273) 17.273 18.981 ( 0.000 0.000 3.718) 3.718 19.153 ( 0.000 0.000 -6.658) 6.658 19.487 ( 0.000 0.000 10.248) 10.248 19.833 ( 0.000 0.000 -5.338) 5.338 20.715 ( 0.000 0.000 -10.799) 10.799 20.780 ( 0.000 0.000 -15.513) 15.513 24.320 ( 0.000 0.000 35.851) 35.851 24.834 ( 0.000 0.000 25.459) 25.459 25.507 ( 0.000 0.000 -23.288) 23.288 25.709 ( 0.000 0.000 -17.648) 17.648 ======================= Grid point 181 (62/90) ======================= q-point: ( 0.11 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( 4.768 0.000 7.123) 8.572 1.448 ( -5.190 0.000 8.897) 10.301 1.782 ( 1.218 0.000 -17.524) 17.566 1.804 ( -1.517 0.000 -2.719) 3.114 1.938 ( 0.659 0.000 2.765) 2.843 1.960 ( -5.277 0.000 5.744) 7.800 1.980 ( -0.627 0.000 1.078) 1.247 2.103 ( 2.595 0.000 0.264) 2.608 2.593 ( 5.642 0.000 10.702) 12.098 2.927 ( 0.289 0.000 11.594) 11.598 3.028 ( 0.212 0.000 -5.129) 5.134 3.168 ( 6.135 0.000 16.476) 17.581 3.338 ( 7.236 0.000 -5.674) 9.195 3.398 ( 1.821 0.000 5.139) 5.452 3.459 ( 11.231 0.000 1.242) 11.299 3.689 ( -0.224 0.000 -11.866) 11.868 3.754 ( -0.452 0.000 6.861) 6.876 3.803 ( 1.231 0.000 6.090) 6.213 4.115 ( 10.982 0.000 0.440) 10.991 4.157 ( 7.886 0.000 -1.643) 8.055 5.159 ( -7.375 0.000 9.531) 12.051 5.282 ( -4.060 0.000 -0.164) 4.063 5.401 ( -6.579 0.000 3.627) 7.513 5.619 ( -18.277 0.000 9.434) 20.569 5.730 ( -19.660 0.000 2.125) 19.775 5.836 ( -13.750 0.000 -14.627) 20.075 5.866 ( -10.623 0.000 9.905) 14.524 6.005 ( 5.976 0.000 3.207) 6.783 6.135 ( -2.820 0.000 -6.005) 6.634 6.478 ( -9.350 0.000 -14.329) 17.110 6.749 ( 9.514 0.000 -3.681) 10.201 6.769 ( 25.442 0.000 -3.413) 25.670 7.044 ( 31.369 0.000 3.305) 31.542 7.308 ( 18.534 0.000 -2.055) 18.648 7.606 ( 6.887 0.000 -7.750) 10.368 7.753 ( -1.078 0.000 -9.877) 9.936 8.243 ( -0.745 0.000 25.605) 25.616 8.541 ( 7.956 0.000 24.417) 25.681 8.912 ( 8.010 0.000 -6.154) 10.101 9.191 ( 4.488 0.000 7.516) 8.754 9.402 ( 6.412 0.000 -12.976) 14.474 9.571 ( 15.632 0.000 -5.973) 16.734 10.276 ( -9.390 0.000 -1.046) 9.448 10.440 ( -2.788 0.000 -10.783) 11.138 10.880 ( -11.384 0.000 1.961) 11.552 10.930 ( -26.927 0.000 0.970) 26.944 11.029 ( 6.316 0.000 2.030) 6.634 11.053 ( -4.205 0.000 3.739) 5.626 11.837 ( 9.672 0.000 -5.058) 10.915 11.864 ( 18.343 0.000 -5.245) 19.078 12.735 ( -9.805 0.000 -0.508) 9.819 12.781 ( -9.877 0.000 -3.510) 10.482 13.146 ( 1.729 0.000 2.571) 3.099 13.182 ( -1.180 0.000 3.298) 3.503 13.853 ( 1.379 0.000 6.512) 6.657 14.357 ( -2.506 0.000 -15.617) 15.817 15.984 ( -1.721 0.000 0.647) 1.839 16.021 ( -1.422 0.000 -1.395) 1.992 17.322 ( -5.610 0.000 7.507) 9.372 17.708 ( -3.993 0.000 -10.012) 10.778 17.853 ( -12.598 0.000 16.188) 20.512 18.659 ( -13.703 0.000 -20.527) 24.680 18.822 ( -13.691 0.000 3.797) 14.208 18.990 ( -14.370 0.000 -5.846) 15.514 19.556 ( 6.223 0.000 8.466) 10.507 19.854 ( 2.479 0.000 -4.737) 5.347 20.732 ( 0.962 0.000 -9.486) 9.535 20.774 ( -0.971 0.000 -12.981) 13.017 24.396 ( 7.383 0.000 33.214) 34.024 24.884 ( 4.598 0.000 23.063) 23.517 25.505 ( -0.401 0.000 -21.744) 21.748 25.695 ( -1.618 0.000 -16.951) 17.028 ======================= Grid point 182 (63/90) ======================= q-point: ( 0.22 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( -6.366 0.000 8.606) 10.705 1.402 ( 8.267 0.000 4.152) 9.251 1.756 ( -3.903 0.000 -6.608) 7.675 1.819 ( 2.538 0.000 -13.541) 13.777 1.845 ( -5.577 0.000 5.816) 8.058 1.911 ( -3.148 0.000 1.054) 3.320 2.003 ( 3.020 0.000 3.315) 4.485 2.157 ( 2.624 0.000 -1.557) 3.051 2.641 ( -0.037 0.000 8.897) 8.897 2.856 ( -7.719 0.000 8.942) 11.813 2.976 ( -3.355 0.000 -4.253) 5.417 3.315 ( 0.499 0.000 13.998) 14.007 3.382 ( -9.043 0.000 -14.307) 16.925 3.440 ( 8.450 0.000 6.150) 10.451 3.630 ( 0.101 0.000 -1.619) 1.622 3.745 ( 13.593 0.000 -4.835) 14.427 3.867 ( 7.449 0.000 0.277) 7.454 3.893 ( 5.973 0.000 3.134) 6.745 4.331 ( 10.208 0.000 2.211) 10.445 4.344 ( 11.573 0.000 0.670) 11.592 4.979 ( -6.968 0.000 6.344) 9.423 5.213 ( -2.598 0.000 3.242) 4.155 5.283 ( -9.427 0.000 6.887) 11.675 5.329 ( -17.460 0.000 -1.546) 17.528 5.425 ( 1.981 0.000 -1.129) 2.280 5.558 ( -13.451 0.000 -13.156) 18.815 5.725 ( -4.152 0.000 3.570) 5.476 5.933 ( -12.928 0.000 -8.442) 15.440 6.132 ( 7.053 0.000 4.942) 8.612 6.450 ( 3.370 0.000 -8.762) 9.387 6.963 ( 10.104 0.000 3.661) 10.747 7.236 ( 18.084 0.000 -8.335) 19.912 7.584 ( 9.974 0.000 3.050) 10.430 7.656 ( 23.846 0.000 2.335) 23.960 7.771 ( 10.242 0.000 -4.078) 11.024 7.821 ( 14.063 0.000 -2.266) 14.244 8.275 ( 4.528 0.000 24.881) 25.289 8.756 ( 13.962 0.000 19.581) 24.049 9.059 ( 5.750 0.000 -7.681) 9.595 9.301 ( 5.914 0.000 -4.973) 7.727 9.618 ( 15.376 0.000 0.686) 15.391 9.911 ( 11.905 0.000 0.069) 11.905 10.083 ( -5.158 0.000 -4.165) 6.629 10.348 ( -6.752 0.000 -9.624) 11.756 10.407 ( -24.411 0.000 0.992) 24.431 10.548 ( -18.900 0.000 -5.873) 19.792 11.067 ( 3.299 0.000 6.369) 7.173 11.154 ( 5.470 0.000 1.637) 5.709 11.995 ( 5.616 0.000 -0.342) 5.626 12.123 ( 5.921 0.000 -6.651) 8.905 12.487 ( -14.118 0.000 -1.822) 14.235 12.574 ( -8.810 0.000 -5.408) 10.337 13.156 ( -0.579 0.000 5.479) 5.510 13.199 ( 3.686 0.000 1.480) 3.972 13.865 ( -0.518 0.000 3.137) 3.180 14.275 ( -6.010 0.000 -14.783) 15.958 15.917 ( -5.391 0.000 0.963) 5.476 15.972 ( -3.661 0.000 -1.757) 4.061 17.173 ( -9.027 0.000 6.736) 11.264 17.584 ( -11.831 0.000 10.349) 15.718 17.608 ( -6.116 0.000 -11.569) 13.086 18.245 ( -26.116 0.000 -22.717) 34.614 18.526 ( -15.144 0.000 2.160) 15.297 18.672 ( -17.138 0.000 -5.553) 18.015 19.718 ( 10.057 0.000 6.108) 11.766 19.945 ( 6.825 0.000 -3.748) 7.786 20.723 ( -2.257 0.000 -6.572) 6.948 20.727 ( -4.053 0.000 -7.945) 8.919 24.589 ( 11.648 0.000 26.057) 28.542 24.992 ( 5.928 0.000 17.182) 18.176 25.482 ( -2.167 0.000 -17.596) 17.729 25.637 ( -4.437 0.000 -14.893) 15.540 ======================= Grid point 183 (64/90) ======================= q-point: ( 0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( -3.370 0.000 5.990) 6.873 1.561 ( 2.998 0.000 -4.806) 5.665 1.651 ( -2.106 0.000 -2.326) 3.137 1.767 ( -1.979 0.000 2.618) 3.282 1.854 ( -2.233 0.000 0.218) 2.244 1.888 ( 4.332 0.000 -9.838) 10.749 2.079 ( 4.431 0.000 2.009) 4.865 2.196 ( 1.165 0.000 -3.042) 3.258 2.596 ( -4.845 0.000 6.597) 8.185 2.689 ( -7.199 0.000 1.775) 7.415 2.901 ( -6.304 0.000 -6.960) 9.390 3.102 ( -16.015 0.000 -15.574) 22.339 3.252 ( -2.313 0.000 5.143) 5.640 3.528 ( -10.686 0.000 -6.792) 12.661 3.632 ( 7.792 0.000 7.338) 10.703 3.890 ( 1.235 0.000 -3.348) 3.568 3.989 ( 3.943 0.000 3.229) 5.096 3.995 ( 4.750 0.000 -0.027) 4.750 4.542 ( 8.044 0.000 1.393) 8.164 4.552 ( 10.446 0.000 1.806) 10.601 4.927 ( 0.775 0.000 1.066) 1.318 5.063 ( -6.493 0.000 -2.481) 6.951 5.178 ( -1.662 0.000 1.918) 2.538 5.255 ( 1.216 0.000 2.744) 3.001 5.373 ( -2.038 0.000 -3.505) 4.055 5.484 ( 2.576 0.000 1.885) 3.192 5.689 ( -0.348 0.000 -0.849) 0.917 5.721 ( -8.232 0.000 -4.961) 9.611 6.291 ( 9.262 0.000 3.650) 9.955 6.526 ( 3.650 0.000 -5.558) 6.649 7.107 ( 4.060 0.000 4.370) 5.965 7.364 ( -3.428 0.000 -7.549) 8.291 7.769 ( 9.934 0.000 5.589) 11.398 7.892 ( 12.135 0.000 3.065) 12.516 8.088 ( 11.927 0.000 7.330) 14.000 8.165 ( 11.181 0.000 11.782) 16.243 8.517 ( 23.125 0.000 9.556) 25.022 9.076 ( 17.680 0.000 6.662) 18.894 9.142 ( 3.317 0.000 -3.904) 5.123 9.391 ( 2.686 0.000 -12.771) 13.050 9.769 ( -13.815 0.000 5.526) 14.879 9.905 ( 7.281 0.000 5.917) 9.382 9.925 ( -15.840 0.000 7.123) 17.367 10.133 ( -16.500 0.000 -4.419) 17.082 10.281 ( -1.294 0.000 -11.139) 11.214 10.391 ( 15.330 0.000 -12.007) 19.472 11.146 ( 3.987 0.000 6.530) 7.652 11.222 ( 1.194 0.000 3.022) 3.250 12.020 ( -4.357 0.000 -2.094) 4.834 12.064 ( -8.696 0.000 -4.247) 9.678 12.268 ( -5.183 0.000 0.510) 5.208 12.473 ( -3.876 0.000 -6.799) 7.826 13.199 ( 5.331 0.000 2.660) 5.958 13.283 ( 4.528 0.000 -0.224) 4.534 13.836 ( -1.916 0.000 -0.316) 1.942 14.122 ( -9.312 0.000 -13.557) 16.447 15.786 ( -6.766 0.000 0.553) 6.789 15.877 ( -5.835 0.000 -2.787) 6.466 17.009 ( -6.286 0.000 -0.073) 6.287 17.434 ( -13.658 0.000 -18.012) 22.605 17.453 ( -1.629 0.000 5.437) 5.676 17.780 ( -16.776 0.000 -12.699) 21.040 18.258 ( -11.513 0.000 -0.991) 11.556 18.345 ( -15.134 0.000 -6.070) 16.306 19.940 ( 12.211 0.000 4.094) 12.879 20.110 ( 9.458 0.000 -3.136) 9.965 20.611 ( -7.622 0.000 -3.136) 8.242 20.642 ( -5.844 0.000 -3.749) 6.943 24.834 ( 12.950 0.000 16.147) 20.699 25.106 ( 5.652 0.000 9.658) 11.190 25.416 ( -4.502 0.000 -11.628) 12.469 25.516 ( -7.811 0.000 -11.207) 13.661 ======================= Grid point 184 (65/90) ======================= q-point: ( 0.44 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( 5.353 0.000 -1.264) 5.501 1.407 ( -10.455 0.000 -8.367) 13.391 1.760 ( 0.754 0.000 -1.038) 1.283 1.764 ( 2.792 0.000 1.948) 3.404 1.854 ( 4.979 0.000 -1.103) 5.100 1.950 ( -0.494 0.000 -3.546) 3.580 2.166 ( 3.903 0.000 -1.695) 4.255 2.202 ( -0.112 0.000 -4.471) 4.472 2.499 ( -1.441 0.000 -2.533) 2.914 2.651 ( -15.117 0.000 -12.402) 19.553 2.658 ( 5.083 0.000 -6.737) 8.439 2.849 ( -11.776 0.000 -12.177) 16.939 3.255 ( 1.873 0.000 0.168) 1.880 3.327 ( -6.741 0.000 -3.357) 7.531 3.750 ( 5.140 0.000 4.051) 6.544 3.848 ( -4.369 0.000 -0.109) 4.370 4.053 ( 2.166 0.000 4.236) 4.758 4.058 ( 1.665 0.000 3.413) 3.798 4.655 ( 3.507 0.000 0.905) 3.622 4.675 ( 1.963 0.000 0.195) 1.972 4.962 ( 1.871 0.000 -1.638) 2.487 4.994 ( -1.778 0.000 -3.043) 3.524 5.180 ( 1.143 0.000 -1.701) 2.049 5.214 ( -2.401 0.000 -3.130) 3.945 5.500 ( 8.615 0.000 2.760) 9.047 5.527 ( 2.116 0.000 0.195) 2.125 5.606 ( -3.305 0.000 1.317) 3.558 5.658 ( -3.863 0.000 2.954) 4.863 6.475 ( 8.274 0.000 0.761) 8.308 6.566 ( -0.544 0.000 -2.422) 2.482 7.147 ( 1.787 0.000 0.449) 1.842 7.236 ( -7.131 0.000 -3.735) 8.050 7.965 ( 8.773 0.000 10.174) 13.434 8.049 ( 1.711 0.000 8.632) 8.800 8.259 ( 4.934 0.000 12.844) 13.759 8.275 ( 2.643 0.000 16.735) 16.943 8.997 ( 20.976 0.000 -3.131) 21.208 9.194 ( 0.722 0.000 -1.348) 1.529 9.381 ( 7.643 0.000 -2.642) 8.087 9.395 ( -2.000 0.000 -10.385) 10.575 9.539 ( -1.963 0.000 -0.040) 1.963 9.749 ( -14.848 0.000 0.982) 14.881 9.750 ( -1.943 0.000 6.018) 6.324 9.859 ( -11.148 0.000 -6.076) 12.696 10.471 ( 12.479 0.000 -1.309) 12.547 10.588 ( 2.468 0.000 -6.534) 6.985 11.200 ( 1.274 0.000 4.236) 4.424 11.215 ( -0.934 0.000 3.855) 3.966 11.903 ( -4.059 0.000 -3.373) 5.277 11.913 ( -4.924 0.000 -3.055) 5.795 12.271 ( 3.435 0.000 1.261) 3.659 12.369 ( -5.992 0.000 -2.192) 6.381 13.323 ( 5.246 0.000 -2.779) 5.936 13.354 ( 1.876 0.000 -2.263) 2.939 13.824 ( 1.824 0.000 -4.333) 4.701 13.934 ( -8.777 0.000 -10.185) 13.446 15.705 ( -0.620 0.000 -2.337) 2.418 15.760 ( -5.371 0.000 -3.880) 6.626 16.964 ( 2.430 0.000 -9.323) 9.635 17.123 ( -13.745 0.000 -17.766) 22.462 17.490 ( 4.423 0.000 2.435) 5.049 17.593 ( -5.820 0.000 -2.090) 6.184 18.098 ( -4.140 0.000 -4.310) 5.976 18.120 ( -6.719 0.000 -5.997) 9.007 20.181 ( 11.870 0.000 1.529) 11.968 20.290 ( 7.041 0.000 -3.729) 7.968 20.442 ( -7.938 0.000 1.398) 8.060 20.503 ( -7.938 0.000 -1.630) 8.104 25.086 ( 12.404 0.000 5.745) 13.670 25.217 ( 5.773 0.000 1.507) 5.966 25.301 ( -8.182 0.000 -3.214) 8.791 25.345 ( -8.226 0.000 -6.309) 10.367 ======================= Grid point 189 (66/90) ======================= q-point: ( 0.00 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( 0.000 3.103 3.545) 4.711 1.497 ( 0.000 -5.686 -6.367) 8.536 1.630 ( 0.000 -0.117 3.856) 3.857 1.799 ( 0.000 -1.652 -1.294) 2.098 1.881 ( 0.000 -2.370 1.575) 2.846 1.978 ( 0.000 -3.168 -3.360) 4.618 2.191 ( 0.000 12.915 7.512) 14.940 2.365 ( 0.000 19.130 0.766) 19.145 2.611 ( 0.000 8.947 10.164) 13.541 2.961 ( 0.000 -2.726 4.874) 5.585 2.975 ( 0.000 4.683 10.205) 11.229 3.143 ( 0.000 4.023 6.524) 7.664 3.182 ( 0.000 -11.397 6.554) 13.147 3.277 ( 0.000 -7.542 4.284) 8.674 3.387 ( 0.000 4.759 -7.028) 8.488 3.528 ( 0.000 -7.187 4.057) 8.253 3.681 ( 0.000 -3.114 -9.419) 9.920 3.720 ( 0.000 -13.806 -3.322) 14.200 4.126 ( 0.000 12.928 5.767) 14.156 4.235 ( 0.000 7.846 -1.969) 8.089 5.203 ( 0.000 -0.801 5.459) 5.517 5.266 ( 0.000 -4.462 1.989) 4.885 5.613 ( 0.000 4.674 8.258) 9.489 5.773 ( 0.000 -6.781 11.204) 13.096 5.805 ( 0.000 -5.383 -0.077) 5.383 5.808 ( 0.000 -8.603 4.500) 9.709 6.115 ( 0.000 3.004 2.604) 3.975 6.123 ( 0.000 4.236 -1.966) 4.669 6.232 ( 0.000 9.623 1.126) 9.689 6.498 ( 0.000 -0.803 -8.520) 8.558 6.569 ( 0.000 2.524 4.478) 5.140 6.675 ( 0.000 8.382 -6.616) 10.679 6.807 ( 0.000 -6.313 -2.515) 6.795 6.918 ( 0.000 -1.364 -12.623) 12.696 7.567 ( 0.000 2.721 -8.950) 9.354 7.730 ( 0.000 -3.043 -12.117) 12.493 8.269 ( 0.000 0.380 24.933) 24.936 8.371 ( 0.000 -4.979 22.382) 22.929 8.896 ( 0.000 4.849 -5.507) 7.337 9.183 ( 0.000 -8.265 -14.399) 16.603 9.326 ( 0.000 16.093 8.548) 18.223 9.602 ( 0.000 12.055 -4.993) 13.048 10.187 ( 0.000 -15.908 1.279) 15.959 10.311 ( 0.000 -14.019 -5.647) 15.114 10.803 ( 0.000 -7.935 -3.273) 8.583 10.867 ( 0.000 -6.495 -4.209) 7.740 11.267 ( 0.000 11.144 6.914) 13.115 11.563 ( 0.000 5.447 -2.616) 6.042 11.612 ( 0.000 10.285 -0.156) 10.286 11.717 ( 0.000 -0.339 -9.353) 9.359 12.770 ( 0.000 -6.481 0.115) 6.482 12.781 ( 0.000 -4.049 0.937) 4.156 13.222 ( 0.000 4.817 1.543) 5.058 13.233 ( 0.000 2.826 2.749) 3.942 13.851 ( 0.000 2.507 3.623) 4.406 14.229 ( 0.000 -11.956 -12.858) 17.558 16.092 ( 0.000 6.451 0.498) 6.470 16.103 ( 0.000 5.100 -0.339) 5.111 17.431 ( 0.000 4.588 7.817) 9.064 17.673 ( 0.000 -5.243 2.170) 5.674 18.131 ( 0.000 10.959 3.874) 11.624 18.663 ( 0.000 -10.298 -13.802) 17.221 18.953 ( 0.000 -1.700 2.478) 3.005 19.075 ( 0.000 -6.091 -3.377) 6.965 19.555 ( 0.000 5.343 4.633) 7.072 19.789 ( 0.000 -3.939 -4.353) 5.871 20.729 ( 0.000 1.167 -11.745) 11.803 20.773 ( 0.000 -0.595 -14.951) 14.963 24.386 ( 0.000 5.944 34.213) 34.725 24.741 ( 0.000 -7.756 26.353) 27.471 25.556 ( 0.000 3.756 -21.291) 21.620 25.690 ( 0.000 -1.738 -17.937) 18.021 ======================= Grid point 190 (67/90) ======================= q-point: ( 0.11 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( 2.819 1.525 0.942) 3.340 1.441 ( -5.207 -2.701 -0.101) 5.867 1.641 ( 1.707 -3.567 1.391) 4.192 1.770 ( -3.115 -3.088 -1.184) 4.544 1.901 ( 1.356 -0.688 1.738) 2.310 1.977 ( 0.073 -1.550 -1.632) 2.252 2.140 ( -4.137 13.930 3.867) 15.037 2.400 ( 3.003 17.490 0.872) 17.768 2.678 ( 3.343 7.072 8.380) 11.464 2.925 ( -1.667 -0.859 6.209) 6.486 3.023 ( 2.050 -0.493 9.686) 9.913 3.238 ( 5.963 2.539 9.245) 11.291 3.286 ( 7.692 -4.441 0.385) 8.890 3.340 ( 5.980 -7.678 0.585) 9.750 3.413 ( 7.826 3.869 -3.375) 9.360 3.613 ( 1.586 -4.271 2.731) 5.312 3.677 ( 5.514 -1.948 -8.748) 10.523 3.808 ( 7.537 -15.963 -2.274) 17.798 4.028 ( -4.995 12.086 3.532) 13.546 4.347 ( 6.751 4.127 0.773) 7.950 5.142 ( -7.142 -1.093 8.550) 11.194 5.219 ( -3.318 -3.535 3.682) 6.087 5.428 ( -10.768 0.930 2.154) 11.021 5.535 ( -14.828 -4.641 8.201) 17.568 5.746 ( -11.092 -1.184 -2.799) 11.500 5.831 ( -8.904 2.010 3.650) 9.831 5.917 ( -6.650 1.809 -0.127) 6.893 5.988 ( -7.440 0.421 -4.243) 8.575 6.244 ( 1.250 7.485 -2.466) 7.979 6.496 ( -7.274 0.431 -10.748) 12.985 6.685 ( 11.235 0.163 -2.036) 11.419 6.886 ( 17.054 5.530 -3.559) 18.278 7.045 ( 28.274 -0.616 2.189) 28.366 7.161 ( 15.172 -11.036 0.157) 18.762 7.643 ( 7.438 3.396 -8.005) 11.442 7.773 ( 3.697 0.279 -8.911) 9.651 8.269 ( 1.246 2.284 24.030) 24.171 8.447 ( 6.992 -6.227 23.303) 25.113 8.956 ( 5.583 3.427 -7.428) 9.904 9.229 ( 3.476 -6.162 -13.311) 15.074 9.414 ( 9.660 12.866 7.972) 17.955 9.724 ( 11.128 10.431 -5.715) 16.288 10.107 ( -4.876 -11.344 -2.293) 12.558 10.412 ( 6.272 -12.501 -0.669) 14.002 10.659 ( -10.169 -2.241 -6.923) 12.504 10.932 ( -0.718 -9.611 1.574) 9.765 11.018 ( -18.005 5.674 1.686) 18.953 11.189 ( -17.257 5.354 -1.282) 18.114 11.840 ( 12.482 5.467 -5.052) 14.533 12.004 ( 15.614 4.673 -2.347) 16.466 12.674 ( -8.129 -3.309 -0.787) 8.812 12.735 ( -6.232 -3.975 -0.691) 7.424 13.177 ( -2.715 2.491 1.691) 4.054 13.206 ( -2.883 1.274 3.664) 4.833 13.873 ( 1.531 2.485 2.445) 3.808 14.214 ( -1.792 -11.188 -12.422) 16.813 16.021 ( -4.799 5.892 -0.368) 7.608 16.154 ( 2.594 5.981 0.080) 6.520 17.340 ( -9.097 2.779 7.086) 11.861 17.607 ( -5.974 -5.991 4.429) 9.550 18.039 ( -8.546 12.581 0.949) 15.239 18.540 ( -12.831 -8.784 -13.644) 20.687 18.857 ( -8.156 1.487 -0.137) 8.291 18.981 ( -11.435 -1.274 -5.195) 12.624 19.525 ( -0.791 -1.377 4.588) 4.855 19.743 ( -2.806 -8.747 -4.798) 10.363 20.750 ( 1.306 2.229 -11.085) 11.382 20.809 ( 2.789 1.467 -10.550) 11.010 24.458 ( 6.926 5.561 31.559) 32.786 24.794 ( 4.964 -7.437 23.822) 25.445 25.552 ( -0.534 3.626 -19.841) 20.177 25.678 ( -1.404 -1.551 -17.108) 17.235 ======================= Grid point 191 (68/90) ======================= q-point: ( 0.22 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( -4.866 0.453 3.639) 6.093 1.378 ( 6.457 -1.344 -1.903) 6.864 1.674 ( -3.929 -5.191 2.445) 6.954 1.694 ( 0.548 -6.143 -3.549) 7.116 1.914 ( 0.054 2.341 1.893) 3.011 1.965 ( -2.018 1.321 1.312) 2.745 2.080 ( -0.743 13.773 -1.037) 13.832 2.469 ( 3.724 15.940 0.923) 16.395 2.674 ( -3.265 3.377 7.171) 8.573 2.877 ( -5.074 3.235 5.676) 8.272 2.972 ( -4.856 -3.977 4.598) 7.781 3.280 ( -4.952 1.159 0.335) 5.097 3.380 ( -3.162 -3.201 -11.088) 11.966 3.464 ( 9.252 3.512 7.602) 12.479 3.562 ( 3.857 -5.265 -1.126) 6.623 3.776 ( 10.129 1.194 -4.517) 11.155 3.801 ( 10.036 -6.139 0.165) 11.766 3.943 ( 3.647 -0.367 0.517) 3.702 4.054 ( 9.274 -4.245 0.744) 10.226 4.452 ( 3.812 -5.017 2.309) 6.711 5.006 ( -4.090 3.011 7.028) 8.671 5.143 ( -4.998 -3.794 6.882) 9.314 5.241 ( -6.746 -1.548 1.678) 7.122 5.301 ( -11.421 -3.405 1.221) 11.980 5.503 ( -5.770 6.676 -9.162) 12.721 5.618 ( -8.823 4.374 -7.085) 12.132 5.768 ( -6.064 4.320 2.151) 7.750 6.024 ( 4.372 -8.120 3.526) 9.873 6.147 ( -7.529 15.013 -4.775) 17.461 6.490 ( 4.772 2.188 -6.966) 8.723 6.899 ( 9.405 -4.375 3.370) 10.907 7.158 ( 7.464 -10.009 -5.244) 13.542 7.491 ( 19.750 -1.048 0.047) 19.778 7.628 ( 25.872 -2.845 1.202) 26.055 7.849 ( 11.360 2.550 -0.228) 11.645 7.862 ( 8.395 4.129 -1.333) 9.450 8.341 ( 6.520 5.165 21.901) 23.428 8.641 ( 12.846 -8.413 19.800) 25.057 9.086 ( 6.936 2.758 -8.918) 11.630 9.304 ( 4.156 -3.365 -11.279) 12.482 9.680 ( 15.544 7.799 6.584) 18.596 9.908 ( 0.891 -0.805 -3.165) 3.385 10.093 ( 7.946 2.893 -6.203) 10.487 10.336 ( -17.533 -3.729 0.649) 17.937 10.473 ( -11.494 6.255 -0.036) 13.086 10.639 ( -15.366 7.919 -6.843) 18.592 10.830 ( 0.997 -15.480 3.907) 15.996 11.112 ( 2.183 -7.438 -0.832) 7.796 12.033 ( 6.444 5.777 -1.069) 8.721 12.218 ( 4.352 3.177 -1.793) 5.679 12.482 ( -10.890 0.552 -3.677) 11.507 12.556 ( -9.330 -1.717 -4.684) 10.580 13.143 ( -2.077 -1.595 4.355) 5.082 13.169 ( 1.749 -1.520 1.244) 2.630 13.881 ( -1.266 1.806 -0.032) 2.206 14.147 ( -5.222 -9.662 -11.647) 16.009 15.896 ( -8.070 5.963 -1.493) 10.144 16.198 ( 1.805 6.748 -0.377) 6.996 17.091 ( -15.390 -0.255 5.255) 16.264 17.481 ( -5.792 -5.927 7.357) 11.082 17.851 ( -9.066 13.278 -5.518) 16.998 18.202 ( -19.775 -3.710 -15.795) 25.579 18.590 ( -19.427 5.703 -3.963) 20.631 18.693 ( -14.880 1.478 -4.910) 15.738 19.569 ( 5.015 -10.326 2.387) 11.725 19.741 ( 2.798 -15.607 -3.942) 16.339 20.759 ( -0.512 5.659 -7.293) 9.245 20.848 ( 0.772 4.693 -4.986) 6.890 24.637 ( 10.731 4.379 24.456) 27.063 24.914 ( 6.696 -6.399 17.543) 19.838 25.525 ( -2.469 3.222 -15.958) 16.466 25.627 ( -4.035 -1.038 -14.736) 15.314 ======================= Grid point 192 (69/90) ======================= q-point: ( 0.33 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( -2.239 3.488 3.791) 5.616 1.517 ( 4.361 -4.741 -6.348) 9.044 1.599 ( 0.979 -2.202 -1.883) 3.058 1.685 ( -3.135 -5.244 -2.132) 6.471 1.908 ( -0.443 3.721 1.235) 3.946 1.939 ( 0.364 -1.369 1.752) 2.253 2.101 ( 2.136 13.948 0.312) 14.114 2.506 ( -2.476 13.223 -0.564) 13.465 2.589 ( -2.621 -0.910 6.007) 6.617 2.730 ( -6.694 4.707 -0.459) 8.196 2.904 ( -3.894 -0.392 -1.861) 4.333 3.087 ( -14.550 -0.060 -11.177) 18.348 3.220 ( -9.559 -1.421 -8.252) 12.708 3.532 ( -2.253 -1.842 -0.114) 2.913 3.624 ( 1.934 0.291 1.815) 2.668 3.849 ( 2.747 -4.214 -1.070) 5.143 3.985 ( 3.959 2.078 -2.478) 5.112 4.059 ( 6.668 3.393 3.755) 8.371 4.261 ( 10.631 -11.804 -1.087) 15.922 4.509 ( 2.329 -11.368 1.316) 11.678 4.934 ( -5.309 -1.444 -0.429) 5.518 5.020 ( -5.921 -6.402 -1.136) 8.794 5.178 ( 1.235 6.109 0.887) 6.295 5.258 ( 6.793 0.941 7.656) 10.278 5.471 ( 0.896 6.832 -3.967) 7.951 5.539 ( -1.119 4.749 -2.967) 5.711 5.695 ( -1.608 3.620 2.267) 4.564 6.031 ( -4.214 19.965 -3.789) 20.754 6.107 ( 3.880 -12.552 2.246) 13.329 6.615 ( 7.729 2.890 -3.701) 9.044 7.025 ( 2.602 -6.135 3.381) 7.472 7.212 ( -0.678 -11.260 -4.183) 12.031 7.816 ( 12.427 3.792 4.031) 13.604 7.963 ( 10.661 5.218 3.768) 12.453 8.016 ( 10.407 -4.285 9.479) 14.715 8.169 ( 11.821 -1.396 7.360) 13.995 8.594 ( 20.716 6.239 9.140) 23.487 8.936 ( 15.998 -8.682 8.202) 19.965 9.223 ( 7.495 4.180 -6.138) 10.551 9.377 ( 2.770 -2.010 -8.615) 9.270 9.803 ( -9.182 3.358 -0.509) 9.789 9.880 ( -6.667 1.355 5.254) 8.596 9.962 ( -9.711 -1.058 -0.413) 9.777 10.095 ( -19.190 -3.235 -2.029) 19.566 10.315 ( 10.067 6.996 -2.887) 12.594 10.568 ( 5.921 11.211 -9.791) 16.019 10.960 ( 8.381 -13.164 5.571) 16.570 11.134 ( -0.643 -8.381 0.397) 8.415 12.063 ( -3.809 5.166 -1.044) 6.503 12.192 ( -3.650 5.416 1.058) 6.616 12.247 ( -9.786 0.368 -2.701) 10.159 12.456 ( -3.848 -1.796 -6.851) 8.060 13.136 ( 1.543 -3.161 0.962) 3.647 13.262 ( 7.675 -3.919 -1.803) 8.804 13.819 ( -4.910 -0.239 -3.241) 5.888 14.011 ( -8.150 -7.866 -10.221) 15.256 15.715 ( -9.553 5.929 -3.675) 11.829 16.231 ( 2.051 7.356 -1.613) 7.805 16.775 ( -15.895 -0.984 0.148) 15.926 17.405 ( -1.793 -6.096 6.141) 8.836 17.717 ( -4.383 11.012 -7.725) 14.147 17.833 ( -15.931 5.715 -15.369) 22.862 18.206 ( -17.746 1.572 -4.089) 18.279 18.413 ( -12.654 2.488 -5.636) 14.074 19.691 ( 6.441 -15.792 0.103) 17.055 19.824 ( 4.690 -19.941 -3.264) 20.744 20.733 ( -1.888 10.309 -3.194) 10.957 20.840 ( -1.265 8.182 -0.856) 8.323 24.861 ( 11.647 2.478 14.721) 18.934 25.044 ( 6.416 -4.857 9.455) 12.415 25.452 ( -4.850 2.580 -10.266) 11.644 25.517 ( -7.033 -0.156 -10.681) 12.789 ======================= Grid point 193 (70/90) ======================= q-point: ( 0.44 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( 1.284 2.773 -3.833) 4.902 1.499 ( -2.240 5.479 -5.608) 8.154 1.592 ( -2.800 -7.159 -2.672) 8.138 1.761 ( 8.577 -3.051 -2.128) 9.349 1.888 ( -2.208 0.637 0.202) 2.307 1.959 ( 0.782 -6.439 2.440) 6.930 2.129 ( -0.232 14.524 3.993) 15.065 2.437 ( 0.081 3.858 -7.555) 8.483 2.613 ( 4.980 0.603 -5.054) 7.121 2.670 ( -0.570 11.393 -3.873) 12.047 2.707 ( -12.984 5.197 -13.040) 19.122 2.840 ( -11.063 -0.750 -11.635) 16.072 3.053 ( -4.313 -9.457 0.276) 10.398 3.519 ( 1.303 9.587 -2.023) 9.884 3.621 ( -1.400 -9.032 -0.761) 9.171 3.880 ( 0.547 0.429 1.931) 2.052 4.038 ( 1.523 2.536 0.507) 3.001 4.146 ( 2.324 4.578 4.625) 6.911 4.426 ( 5.227 -13.887 0.307) 14.841 4.540 ( 0.633 -12.804 -0.610) 12.834 4.837 ( -3.548 -4.801 -4.636) 7.559 4.937 ( -2.058 -10.157 -4.031) 11.120 5.241 ( 2.774 12.443 0.555) 12.760 5.402 ( 4.840 6.635 1.410) 8.333 5.490 ( -1.262 5.469 0.602) 5.645 5.561 ( 5.526 2.119 6.321) 8.659 5.667 ( -2.636 1.754 3.480) 4.705 5.972 ( -1.723 22.197 -3.763) 22.580 6.165 ( 1.638 -16.209 -0.412) 16.297 6.784 ( 8.626 5.579 -1.530) 10.386 6.984 ( -5.812 -10.479 -0.719) 12.004 7.183 ( -1.158 -4.869 -1.232) 5.154 8.006 ( 6.732 3.207 10.696) 13.039 8.106 ( 2.806 4.909 8.632) 10.319 8.169 ( 4.264 -4.536 14.800) 16.056 8.305 ( 3.442 -1.076 12.200) 12.722 9.027 ( 18.531 2.971 -5.791) 19.641 9.204 ( 10.031 -0.736 3.100) 10.525 9.375 ( 1.169 -0.496 -8.430) 8.525 9.415 ( 3.947 2.075 -0.038) 4.459 9.548 ( -8.689 1.927 -0.760) 8.932 9.678 ( -8.832 -2.199 2.340) 9.397 9.767 ( -8.448 -2.042 -0.558) 8.709 9.822 ( -10.452 -3.476 -7.228) 13.175 10.564 ( 12.149 8.504 1.212) 14.879 10.685 ( 1.820 7.689 -6.714) 10.368 11.058 ( -1.023 -9.789 0.676) 9.865 11.116 ( 1.690 -8.916 3.846) 9.856 11.980 ( -2.514 6.204 -0.459) 6.709 12.051 ( -5.051 9.903 -3.000) 11.514 12.222 ( 1.615 -3.868 1.855) 4.584 12.358 ( -4.809 -1.994 -2.225) 5.661 13.176 ( 1.535 -4.425 -4.110) 6.231 13.458 ( 11.474 -3.643 -5.961) 13.434 13.679 ( -9.721 -4.885 -7.796) 13.384 13.874 ( -4.216 -4.936 -5.887) 8.763 15.567 ( -4.440 5.600 -6.237) 9.486 16.305 ( 6.192 6.662 -3.456) 9.730 16.490 ( -12.480 0.510 -4.452) 13.260 17.396 ( 0.172 -5.727 1.183) 5.850 17.609 ( -5.209 3.532 -3.501) 7.202 17.698 ( 0.717 21.074 -11.066) 23.813 17.932 ( -9.029 -5.865 -4.375) 11.622 18.234 ( -4.881 2.732 -7.109) 9.046 19.790 ( 2.926 -19.763 -1.303) 20.020 19.896 ( 2.129 -22.884 -3.342) 23.225 20.700 ( -1.106 14.424 -0.509) 14.475 20.815 ( -0.891 11.032 1.459) 11.164 25.078 ( 9.455 -0.305 4.238) 10.366 25.157 ( 4.467 -3.830 0.680) 5.923 25.337 ( -6.826 2.511 -2.514) 7.695 25.377 ( -5.391 1.529 -4.578) 7.236 ======================= Grid point 198 (71/90) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( 0.000 -5.697 -4.493) 7.256 1.350 ( 0.000 5.697 -4.493) 7.256 1.720 ( 0.000 -5.288 4.318) 6.827 1.720 ( 0.000 5.288 4.318) 6.827 1.896 ( 0.000 -3.451 -2.423) 4.217 1.896 ( 0.000 3.451 -2.423) 4.217 2.486 ( 0.000 -10.852 10.730) 15.261 2.486 ( 0.000 10.852 10.730) 15.261 2.832 ( 0.000 -10.450 3.680) 11.079 2.832 ( 0.000 10.450 3.680) 11.079 3.082 ( 0.000 -5.241 5.257) 7.423 3.082 ( 0.000 5.241 5.257) 7.423 3.173 ( 0.000 -10.061 4.447) 11.000 3.173 ( 0.000 10.061 4.447) 11.000 3.391 ( 0.000 -3.311 0.988) 3.455 3.391 ( 0.000 3.311 0.988) 3.455 3.612 ( 0.000 -3.028 -8.815) 9.321 3.612 ( 0.000 3.028 -8.815) 9.321 4.306 ( 0.000 -2.588 0.746) 2.693 4.306 ( 0.000 2.588 0.746) 2.693 5.196 ( 0.000 -1.200 4.979) 5.121 5.196 ( 0.000 1.200 4.979) 5.121 5.690 ( 0.000 -1.015 15.607) 15.640 5.690 ( 0.000 1.015 15.607) 15.640 5.716 ( 0.000 -2.419 -4.762) 5.341 5.716 ( 0.000 2.419 -4.762) 5.341 6.158 ( 0.000 -0.666 -0.566) 0.874 6.158 ( 0.000 0.666 -0.566) 0.874 6.427 ( 0.000 -7.006 -3.237) 7.718 6.427 ( 0.000 7.006 -3.237) 7.718 6.653 ( 0.000 -5.820 4.587) 7.410 6.653 ( 0.000 5.820 4.587) 7.410 6.842 ( 0.000 -5.903 -7.811) 9.791 6.842 ( 0.000 5.903 -7.811) 9.791 7.648 ( 0.000 -4.323 -12.133) 12.880 7.648 ( 0.000 4.323 -12.133) 12.880 8.294 ( 0.000 -2.187 23.224) 23.327 8.294 ( 0.000 2.187 23.224) 23.327 9.018 ( 0.000 -6.918 -11.389) 13.326 9.018 ( 0.000 6.918 -11.389) 13.326 9.721 ( 0.000 -16.042 5.205) 16.866 9.721 ( 0.000 16.042 5.205) 16.866 9.973 ( 0.000 -12.219 -2.120) 12.401 9.973 ( 0.000 12.219 -2.120) 12.401 10.754 ( 0.000 -2.623 -8.254) 8.661 10.754 ( 0.000 2.623 -8.254) 8.661 11.525 ( 0.000 -10.233 2.461) 10.525 11.525 ( 0.000 10.233 2.461) 10.525 11.716 ( 0.000 -0.065 -5.425) 5.425 11.716 ( 0.000 0.065 -5.425) 5.425 12.713 ( 0.000 -1.234 2.346) 2.650 12.713 ( 0.000 1.234 2.346) 2.650 13.272 ( 0.000 -0.165 2.384) 2.389 13.272 ( 0.000 0.165 2.384) 2.389 13.979 ( 0.000 -9.721 -5.507) 11.173 13.979 ( 0.000 9.721 -5.507) 11.173 16.173 ( 0.000 -0.041 0.639) 0.640 16.173 ( 0.000 0.041 0.639) 0.640 17.552 ( 0.000 -6.110 7.685) 9.818 17.552 ( 0.000 6.110 7.685) 9.818 18.398 ( 0.000 -13.429 -7.120) 15.200 18.398 ( 0.000 13.429 -7.120) 15.200 18.961 ( 0.000 -3.235 -0.021) 3.235 18.961 ( 0.000 3.235 -0.021) 3.235 19.680 ( 0.000 -5.920 -1.274) 6.056 19.680 ( 0.000 5.920 -1.274) 6.056 20.755 ( 0.000 -1.102 -13.523) 13.568 20.755 ( 0.000 1.102 -13.523) 13.568 24.552 ( 0.000 -9.060 30.161) 31.493 24.552 ( 0.000 9.060 30.161) 31.493 25.636 ( 0.000 -3.357 -19.018) 19.312 25.636 ( 0.000 3.357 -19.018) 19.312 ======================= Grid point 200 (72/90) ======================= q-point: ( 0.11 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( -0.285 -4.203 -4.546) 6.198 1.344 ( -0.285 4.203 -4.546) 6.198 1.682 ( -3.223 -4.539 4.432) 7.116 1.682 ( -3.223 4.539 4.432) 7.116 1.925 ( 2.340 -2.585 -1.183) 3.683 1.925 ( 2.340 2.585 -1.183) 3.683 2.460 ( -2.649 -12.408 7.948) 14.971 2.460 ( -2.649 12.408 7.948) 14.971 2.874 ( 2.894 -6.404 7.603) 10.353 2.874 ( 2.894 6.404 7.603) 10.353 3.065 ( 0.513 -9.373 -0.910) 9.431 3.065 ( 0.513 9.373 -0.910) 9.431 3.315 ( 10.905 -3.985 6.357) 13.237 3.315 ( 10.905 3.985 6.357) 13.237 3.507 ( 6.862 -8.850 -1.735) 11.332 3.507 ( 6.862 8.850 -1.735) 11.332 3.618 ( 4.348 -3.290 -6.034) 8.132 3.618 ( 4.348 3.290 -6.034) 8.132 4.274 ( -2.988 -9.660 1.275) 10.192 4.274 ( -2.988 9.660 1.275) 10.192 5.156 ( -3.669 -2.376 6.860) 8.135 5.156 ( -3.669 2.376 6.860) 8.135 5.457 ( -13.138 -2.445 5.900) 14.608 5.457 ( -13.138 2.445 5.900) 14.608 5.779 ( -1.926 -3.358 -1.192) 4.051 5.779 ( -1.926 3.358 -1.192) 4.051 5.984 ( -12.591 -1.943 -3.132) 13.120 5.984 ( -12.591 1.943 -3.132) 13.120 6.407 ( 2.311 -7.403 -2.409) 8.121 6.407 ( 2.311 7.403 -2.409) 8.121 6.834 ( 1.451 -10.999 -4.005) 11.795 6.834 ( 1.451 10.999 -4.005) 11.795 7.029 ( 26.219 -2.688 2.070) 26.438 7.029 ( 26.219 2.688 2.070) 26.438 7.731 ( 7.247 -3.930 -7.952) 11.454 7.731 ( 7.247 3.930 -7.952) 11.454 8.336 ( 4.271 -4.054 22.808) 23.556 8.336 ( 4.271 4.054 22.808) 23.556 9.067 ( 4.657 -7.072 -11.679) 14.426 9.067 ( 4.657 7.072 -11.679) 14.426 9.754 ( 3.600 -14.578 3.522) 15.423 9.754 ( 3.600 14.578 3.522) 15.423 10.065 ( 8.290 -14.535 -1.826) 16.832 10.065 ( 8.290 14.535 -1.826) 16.832 10.733 ( -2.669 -7.204 -5.502) 9.449 10.733 ( -2.669 7.204 -5.502) 9.449 11.172 ( -21.810 -6.098 -0.875) 22.663 11.172 ( -21.810 6.098 -0.875) 22.663 11.986 ( 14.142 -5.761 -2.338) 15.449 11.986 ( 14.142 5.761 -2.338) 15.449 12.660 ( -5.419 -2.129 0.375) 5.834 12.660 ( -5.419 2.129 0.375) 5.834 13.215 ( -4.766 -0.662 2.367) 5.363 13.215 ( -4.766 0.662 2.367) 5.363 13.987 ( 0.226 -8.513 -5.334) 10.049 13.987 ( 0.226 8.513 -5.334) 10.049 16.163 ( -1.253 -4.989 0.134) 5.146 16.163 ( -1.253 4.989 0.134) 5.146 17.460 ( -8.402 -7.536 7.607) 13.611 17.460 ( -8.402 7.536 7.607) 13.611 18.314 ( -8.653 -12.340 -7.274) 16.735 18.314 ( -8.653 12.340 -7.274) 16.735 18.913 ( -5.613 -4.184 -1.701) 7.205 18.913 ( -5.613 4.184 -1.701) 7.205 19.569 ( -8.405 -5.996 -2.724) 10.678 19.569 ( -8.405 5.996 -2.724) 10.678 20.803 ( 3.796 -1.918 -10.408) 11.243 20.803 ( 3.796 1.918 -10.408) 11.243 24.614 ( 5.911 -8.575 27.509) 29.414 24.614 ( 5.911 8.575 27.509) 29.414 25.628 ( -0.938 -3.126 -17.874) 18.170 25.628 ( -0.938 3.126 -17.874) 18.170 ======================= Grid point 202 (73/90) ======================= q-point: ( 0.22 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( 1.137 -1.194 -2.712) 3.174 1.352 ( 1.137 1.194 -2.712) 3.174 1.620 ( -2.562 -0.745 2.033) 3.355 1.620 ( -2.562 0.745 2.033) 3.355 1.956 ( 0.330 -1.621 -0.289) 1.679 1.956 ( 0.330 1.621 -0.289) 1.679 2.424 ( -0.107 -14.823 6.437) 16.160 2.424 ( -0.107 14.823 6.437) 16.160 2.832 ( -7.310 -6.423 9.341) 13.489 2.832 ( -7.310 6.423 9.341) 13.489 3.124 ( 3.160 -17.184 -4.568) 18.060 3.124 ( 3.160 17.184 -4.568) 18.060 3.427 ( -4.385 -7.320 -9.659) 12.889 3.427 ( -4.385 7.320 -9.659) 12.889 3.586 ( 8.628 -7.603 5.811) 12.885 3.586 ( 8.628 7.603 5.811) 12.885 3.861 ( 13.688 -4.069 -1.760) 14.388 3.861 ( 13.688 4.069 -1.760) 14.388 4.219 ( -1.455 -12.872 1.255) 13.014 4.219 ( -1.455 12.872 1.255) 13.014 5.075 ( -4.891 -2.957 7.376) 9.331 5.075 ( -4.891 2.957 7.376) 9.331 5.246 ( -6.913 -1.565 2.077) 7.386 5.246 ( -6.913 1.565 2.077) 7.386 5.642 ( -6.834 -4.030 -11.112) 13.654 5.642 ( -6.834 4.030 -11.112) 13.654 5.865 ( -1.794 -5.348 4.821) 7.420 5.865 ( -1.794 5.348 4.821) 7.420 6.438 ( 0.870 -9.372 -3.722) 10.121 6.438 ( 0.870 9.372 -3.722) 10.121 6.912 ( 5.546 -8.286 -0.487) 9.982 6.912 ( 5.546 8.286 -0.487) 9.982 7.548 ( 24.190 -4.215 -0.249) 24.556 7.548 ( 24.190 4.215 -0.249) 24.556 7.896 ( 9.382 -0.896 -0.141) 9.426 7.896 ( 9.382 0.896 -0.141) 9.426 8.470 ( 9.963 -7.061 20.054) 23.479 8.470 ( 9.963 7.061 20.054) 23.479 9.182 ( 6.575 -6.100 -10.462) 13.780 9.182 ( 6.575 6.100 -10.462) 13.780 9.850 ( 4.907 -5.480 -1.850) 7.585 9.850 ( 4.907 5.480 -1.850) 7.585 10.231 ( 5.100 -8.057 -0.375) 9.543 10.231 ( 5.100 8.057 -0.375) 9.543 10.557 ( -15.027 -6.529 4.569) 17.009 10.557 ( -15.027 6.529 4.569) 17.009 10.887 ( -3.408 -12.505 -6.431) 14.469 10.887 ( -3.408 12.505 -6.431) 14.469 12.180 ( 4.723 -5.889 0.819) 7.594 12.180 ( 4.723 5.889 0.819) 7.594 12.514 ( -8.476 -1.924 -5.041) 10.047 12.514 ( -8.476 1.924 -5.041) 10.047 13.136 ( -2.239 -1.333 1.548) 3.031 13.136 ( -2.239 1.333 1.548) 3.031 13.963 ( -2.997 -6.413 -5.427) 8.919 13.963 ( -2.997 6.413 -5.427) 8.919 16.110 ( -4.430 -11.218 -1.726) 12.184 16.110 ( -4.430 11.218 -1.726) 12.184 17.273 ( -9.405 -12.870 7.401) 17.574 17.273 ( -9.405 12.870 7.401) 17.574 18.086 ( -13.160 -8.019 -8.415) 17.559 18.086 ( -13.160 8.019 -8.415) 17.559 18.698 ( -15.802 -2.441 -5.443) 16.891 18.698 ( -15.802 2.441 -5.443) 16.891 19.475 ( -0.173 -5.101 -2.988) 5.914 19.475 ( -0.173 5.101 -2.988) 5.914 20.867 ( 2.330 -2.880 -5.299) 6.465 20.867 ( 2.330 2.880 -5.299) 6.465 24.763 ( 8.652 -7.035 20.674) 23.489 24.763 ( 8.652 7.035 20.674) 23.489 25.589 ( -3.214 -2.507 -14.746) 15.299 25.589 ( -3.214 2.507 -14.746) 15.299 ======================= Grid point 204 (74/90) ======================= q-point: ( 0.33 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.373 ( 0.529 -6.962 -0.621) 7.009 1.373 ( 0.529 6.962 -0.621) 7.009 1.608 ( 1.947 -2.305 -2.650) 4.015 1.608 ( 1.947 2.305 -2.650) 4.015 1.938 ( -2.062 -0.322 -0.133) 2.091 1.938 ( -2.062 0.322 -0.133) 2.091 2.447 ( 1.279 -14.500 6.280) 15.853 2.447 ( 1.279 14.500 6.280) 15.853 2.653 ( -8.228 -5.403 4.071) 10.652 2.653 ( -8.228 5.403 4.071) 10.652 3.089 ( -9.381 -5.407 -11.376) 15.705 3.089 ( -9.381 5.407 -11.376) 15.705 3.297 ( -5.053 -14.250 -6.718) 16.545 3.297 ( -5.053 14.250 -6.718) 16.545 3.728 ( 4.925 -6.553 2.444) 8.554 3.728 ( 4.925 6.553 2.444) 8.554 4.064 ( 7.280 -3.739 -1.664) 8.351 4.064 ( 7.280 3.739 -1.664) 8.351 4.236 ( 2.549 -10.190 0.447) 10.513 4.236 ( 2.549 10.190 0.447) 10.513 4.927 ( -8.346 -1.831 -0.907) 8.593 4.927 ( -8.346 1.831 -0.907) 8.593 5.263 ( 7.147 -1.550 6.853) 10.023 5.263 ( 7.147 1.550 6.853) 10.023 5.593 ( 0.385 -1.559 -7.038) 7.219 5.593 ( 0.385 1.559 -7.038) 7.219 5.838 ( -1.316 -10.813 4.036) 11.616 5.838 ( -1.316 10.813 4.036) 11.616 6.460 ( 1.497 -17.389 -2.651) 17.654 6.460 ( 1.497 17.389 -2.651) 17.654 7.008 ( 3.593 -6.109 -0.173) 7.089 7.008 ( 3.593 6.109 -0.173) 7.089 7.910 ( 12.618 -4.754 5.891) 14.715 7.910 ( 12.618 4.754 5.891) 14.715 8.094 ( 9.678 -5.340 5.562) 12.374 8.094 ( 9.678 5.340 5.562) 12.374 8.751 ( 18.389 -8.267 8.611) 21.924 8.751 ( 18.389 8.267 8.611) 21.924 9.310 ( 6.258 -3.889 -5.775) 9.361 9.310 ( 6.258 3.889 -5.775) 9.361 9.878 ( -3.465 -3.494 -7.193) 8.715 9.878 ( -3.465 3.494 -7.193) 8.715 9.995 ( -21.476 -5.803 4.129) 22.626 9.995 ( -21.476 5.803 4.129) 22.626 10.554 ( 10.373 -13.228 1.294) 16.860 10.554 ( 10.373 13.228 1.294) 16.860 10.916 ( 3.167 -10.543 -2.673) 11.329 10.916 ( 3.167 10.543 -2.673) 11.329 12.164 ( -4.408 -3.481 2.272) 6.059 12.164 ( -4.408 3.481 2.272) 6.059 12.373 ( -5.935 -6.253 -5.502) 10.227 12.373 ( -5.935 6.253 -5.502) 10.227 13.146 ( 3.071 -4.518 -3.212) 6.337 13.146 ( 3.071 4.518 -3.212) 6.337 13.869 ( -6.226 -4.850 -5.661) 9.712 13.869 ( -6.226 4.850 -5.661) 9.712 15.990 ( -7.188 -17.405 -5.135) 19.518 15.990 ( -7.188 17.405 -5.135) 19.518 17.127 ( -5.096 -19.923 6.394) 21.535 17.127 ( -5.096 19.923 6.394) 21.535 17.850 ( -9.945 -4.128 -7.682) 13.227 17.850 ( -9.945 4.128 -7.682) 13.227 18.374 ( -15.068 -7.575 -7.994) 18.664 18.374 ( -15.068 7.575 -7.994) 18.664 19.521 ( 3.467 -3.889 -3.180) 6.104 19.521 ( 3.467 3.889 -3.180) 6.104 20.894 ( 0.534 -3.218 -1.242) 3.490 20.894 ( 0.534 3.218 -1.242) 3.490 24.937 ( 8.821 -4.610 11.621) 15.300 24.937 ( 8.821 4.610 11.621) 15.300 25.500 ( -5.785 -1.592 -9.877) 11.556 25.500 ( -5.785 1.592 -9.877) 11.556 ======================= Grid point 206 (75/90) ======================= q-point: ( 0.44 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( 0.014 -8.172 -4.927) 9.543 1.376 ( 0.014 8.172 -4.927) 9.543 1.684 ( 4.447 -6.257 -1.458) 7.814 1.684 ( 4.447 6.257 -1.458) 7.814 1.875 ( -3.834 -1.273 1.409) 4.279 1.875 ( -3.834 1.273 1.409) 4.279 2.451 ( 0.477 -8.490 0.465) 8.516 2.451 ( 0.477 8.490 0.465) 8.516 2.600 ( 2.371 -6.090 -1.549) 6.716 2.600 ( 2.371 6.090 -1.549) 6.716 2.809 ( -14.117 -3.280 -13.680) 19.930 2.809 ( -14.117 3.280 -13.680) 19.930 3.258 ( -0.414 -20.158 -3.581) 20.478 3.258 ( -0.414 20.158 -3.581) 20.478 3.790 ( 1.575 -9.627 0.050) 9.755 3.790 ( 1.575 9.627 0.050) 9.755 4.167 ( 3.042 -9.000 -0.211) 9.502 4.167 ( 3.042 9.000 -0.211) 9.502 4.280 ( 1.264 -8.747 0.627) 8.860 4.280 ( 1.264 8.747 0.627) 8.860 4.802 ( -3.710 -2.229 -3.790) 5.753 4.802 ( -3.710 2.229 -3.790) 5.753 5.430 ( 7.523 -4.301 4.607) 9.815 5.430 ( 7.523 4.301 4.607) 9.815 5.590 ( -1.603 -2.287 2.049) 3.464 5.590 ( -1.603 2.287 2.049) 3.464 5.813 ( -0.888 -13.548 -0.591) 13.590 5.813 ( -0.888 13.548 -0.591) 13.590 6.488 ( 0.974 -22.993 -2.081) 23.107 6.488 ( 0.974 22.993 -2.081) 23.107 7.047 ( 0.693 -7.503 -0.382) 7.544 7.047 ( 0.693 7.503 -0.382) 7.544 8.081 ( 4.904 -3.735 12.756) 14.168 8.081 ( 4.904 3.735 12.756) 14.168 8.227 ( 3.457 -5.539 9.460) 11.495 8.227 ( 3.457 5.539 9.460) 11.495 9.122 ( 16.760 -5.470 -4.346) 18.158 9.122 ( 16.760 5.470 -4.346) 18.158 9.412 ( 0.792 -2.534 3.448) 4.352 9.412 ( 0.792 2.534 3.448) 4.352 9.630 ( -9.032 -4.624 -0.287) 10.151 9.630 ( -9.032 4.624 -0.287) 10.151 9.741 ( -10.039 -2.671 -7.310) 12.702 9.741 ( -10.039 2.671 -7.310) 12.702 10.774 ( 10.404 -7.438 -1.174) 12.843 10.774 ( 10.404 7.438 -1.174) 12.843 10.926 ( -3.371 -5.311 -0.057) 6.291 10.926 ( -3.371 5.311 -0.057) 6.291 12.111 ( 0.019 -5.589 1.399) 5.761 12.111 ( 0.019 5.589 1.399) 5.761 12.258 ( -5.040 -7.473 -1.593) 9.154 12.258 ( -5.040 7.473 -1.593) 9.154 13.224 ( 3.384 -9.486 -9.341) 13.736 13.224 ( 3.384 9.486 -9.341) 13.736 13.751 ( -4.340 -6.106 -4.726) 8.858 13.751 ( -4.340 6.106 -4.726) 8.858 15.871 ( -3.777 -20.774 -8.147) 22.632 15.871 ( -3.777 20.774 -8.147) 22.632 17.068 ( -1.251 -24.846 4.983) 25.372 17.068 ( -1.251 24.846 4.983) 25.372 17.716 ( -3.486 -6.698 -3.961) 8.527 17.716 ( -3.486 6.698 -3.961) 8.527 18.162 ( -5.744 -11.445 -10.390) 16.490 18.162 ( -5.744 11.445 -10.390) 16.490 19.576 ( 1.624 -3.217 -3.613) 5.103 19.576 ( 1.624 3.217 -3.613) 5.103 20.897 ( -0.017 -3.230 0.987) 3.377 20.897 ( -0.017 3.230 0.987) 3.377 25.092 ( 5.943 -1.926 2.007) 6.562 25.092 ( 5.943 1.926 2.007) 6.562 25.381 ( -5.122 -1.188 -3.044) 6.075 25.381 ( -5.122 1.188 -3.044) 6.075 ======================= Grid point 225 (76/90) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( 0.000 0.000 -11.472) 11.472 1.414 ( 0.000 0.000 11.472) 11.472 1.713 ( 0.000 0.000 -7.068) 7.068 1.713 ( 0.000 0.000 7.068) 7.068 2.023 ( 0.000 0.000 -4.878) 4.878 2.023 ( 0.000 0.000 4.878) 4.878 2.027 ( 0.000 0.000 -1.976) 1.976 2.027 ( 0.000 0.000 1.976) 1.976 2.790 ( 0.000 0.000 -13.510) 13.510 2.790 ( 0.000 0.000 13.510) 13.510 3.149 ( 0.000 0.000 -9.787) 9.787 3.149 ( 0.000 0.000 9.787) 9.787 3.373 ( 0.000 0.000 -6.074) 6.074 3.373 ( 0.000 0.000 6.074) 6.074 3.429 ( 0.000 0.000 -5.931) 5.931 3.429 ( 0.000 0.000 5.931) 5.931 3.926 ( 0.000 0.000 -3.858) 3.858 3.926 ( 0.000 0.000 3.858) 3.858 3.965 ( 0.000 0.000 -4.732) 4.732 3.965 ( 0.000 0.000 4.732) 4.732 5.291 ( 0.000 0.000 -2.400) 2.400 5.291 ( 0.000 0.000 2.400) 2.400 5.791 ( 0.000 0.000 -13.126) 13.126 5.791 ( 0.000 0.000 13.126) 13.126 5.920 ( 0.000 0.000 -1.366) 1.366 5.920 ( 0.000 0.000 1.366) 1.366 6.182 ( 0.000 0.000 -2.965) 2.965 6.182 ( 0.000 0.000 2.965) 2.965 6.231 ( 0.000 0.000 -16.315) 16.315 6.231 ( 0.000 0.000 16.315) 16.315 6.574 ( 0.000 0.000 -14.171) 14.171 6.574 ( 0.000 0.000 14.171) 14.171 6.694 ( 0.000 0.000 -9.796) 9.796 6.694 ( 0.000 0.000 9.796) 9.796 7.565 ( 0.000 0.000 -7.190) 7.190 7.565 ( 0.000 0.000 7.190) 7.190 8.673 ( 0.000 0.000 -13.425) 13.425 8.673 ( 0.000 0.000 13.425) 13.425 8.932 ( 0.000 0.000 -22.856) 22.856 8.932 ( 0.000 0.000 22.856) 22.856 9.296 ( 0.000 0.000 -5.879) 5.879 9.296 ( 0.000 0.000 5.879) 5.879 10.346 ( 0.000 0.000 -0.825) 0.825 10.346 ( 0.000 0.000 0.825) 0.825 11.003 ( 0.000 0.000 -0.103) 0.103 11.003 ( 0.000 0.000 0.103) 0.103 11.339 ( 0.000 0.000 -7.779) 7.779 11.339 ( 0.000 0.000 7.779) 7.779 11.493 ( 0.000 0.000 -8.004) 8.004 11.493 ( 0.000 0.000 8.004) 8.004 12.845 ( 0.000 0.000 -0.962) 0.962 12.845 ( 0.000 0.000 0.962) 0.962 13.184 ( 0.000 0.000 -2.203) 2.203 13.184 ( 0.000 0.000 2.203) 2.203 14.068 ( 0.000 0.000 -14.327) 14.327 14.068 ( 0.000 0.000 14.327) 14.327 16.012 ( 0.000 0.000 -0.803) 0.803 16.012 ( 0.000 0.000 0.803) 0.803 17.555 ( 0.000 0.000 -9.593) 9.593 17.555 ( 0.000 0.000 9.593) 9.593 18.382 ( 0.000 0.000 -20.871) 20.871 18.382 ( 0.000 0.000 20.871) 20.871 19.057 ( 0.000 0.000 -3.895) 3.895 19.057 ( 0.000 0.000 3.895) 3.895 19.686 ( 0.000 0.000 -9.104) 9.104 19.686 ( 0.000 0.000 9.104) 9.104 20.610 ( 0.000 0.000 -1.116) 1.116 20.610 ( 0.000 0.000 1.116) 1.116 24.978 ( 0.000 0.000 -29.432) 29.432 24.978 ( 0.000 0.000 29.432) 29.432 25.312 ( 0.000 0.000 -21.811) 21.811 25.312 ( 0.000 0.000 21.811) 21.811 ======================= Grid point 227 (77/90) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( 1.702 0.000 -8.236) 8.410 1.432 ( 1.702 0.000 8.236) 8.410 1.685 ( -2.545 0.000 -6.670) 7.139 1.685 ( -2.545 0.000 6.670) 7.139 1.995 ( -2.727 0.000 -0.516) 2.776 1.995 ( -2.727 0.000 0.516) 2.776 2.048 ( 1.858 0.000 -2.496) 3.112 2.048 ( 1.858 0.000 2.496) 3.112 2.842 ( 2.140 0.000 -12.281) 12.466 2.842 ( 2.140 0.000 12.281) 12.466 3.166 ( 2.417 0.000 -11.142) 11.401 3.166 ( 2.417 0.000 11.142) 11.401 3.441 ( 2.417 0.000 -8.326) 8.670 3.441 ( 2.417 0.000 8.326) 8.670 3.474 ( 7.094 0.000 -4.714) 8.518 3.474 ( 7.094 0.000 4.714) 8.518 3.846 ( -1.307 0.000 -0.489) 1.396 3.846 ( -1.307 0.000 0.489) 1.396 4.132 ( 10.548 0.000 -0.124) 10.548 4.132 ( 10.548 0.000 0.124) 10.548 5.284 ( -0.496 0.000 -0.978) 1.097 5.284 ( -0.496 0.000 0.978) 1.097 5.541 ( -18.479 0.000 -11.544) 21.788 5.541 ( -18.479 0.000 11.544) 21.788 5.742 ( -19.932 0.000 -1.018) 19.958 5.742 ( -19.932 0.000 1.018) 19.958 6.018 ( -7.064 0.000 -4.084) 8.160 6.018 ( -7.064 0.000 4.084) 8.160 6.181 ( -3.272 0.000 -13.625) 14.013 6.181 ( -3.272 0.000 13.625) 14.013 6.717 ( 20.326 0.000 -0.239) 20.327 6.717 ( 20.326 0.000 0.239) 20.327 7.187 ( 29.162 0.000 -8.921) 30.496 7.187 ( 29.162 0.000 8.921) 30.496 7.586 ( 2.212 0.000 -4.503) 5.017 7.586 ( 2.212 0.000 4.503) 5.017 8.690 ( 1.985 0.000 -17.207) 17.322 8.690 ( 1.985 0.000 17.207) 17.322 8.986 ( 4.775 0.000 -19.588) 20.162 8.986 ( 4.775 0.000 19.588) 20.162 9.428 ( 13.041 0.000 -7.687) 15.138 9.428 ( 13.041 0.000 7.687) 15.138 10.288 ( -5.623 0.000 -1.604) 5.848 10.288 ( -5.623 0.000 1.604) 5.848 10.928 ( -20.195 0.000 -0.279) 20.197 10.928 ( -20.195 0.000 0.279) 20.197 11.074 ( 0.302 0.000 -1.359) 1.392 11.074 ( 0.302 0.000 1.359) 1.392 11.794 ( 15.618 0.000 -0.223) 15.619 11.794 ( 15.618 0.000 0.223) 15.619 12.736 ( -10.331 0.000 -0.397) 10.339 12.736 ( -10.331 0.000 0.397) 10.339 13.193 ( 0.787 0.000 -1.239) 1.467 13.193 ( 0.787 0.000 1.239) 1.467 14.059 ( -1.189 0.000 -13.292) 13.345 14.059 ( -1.189 0.000 13.292) 13.345 15.999 ( -1.552 0.000 -0.208) 1.566 15.999 ( -1.552 0.000 0.208) 1.566 17.503 ( -5.066 0.000 -9.468) 10.738 17.503 ( -5.066 0.000 9.468) 10.738 18.230 ( -15.264 0.000 -20.755) 25.763 18.230 ( -15.264 0.000 20.755) 25.763 18.899 ( -13.994 0.000 -3.863) 14.517 18.899 ( -13.994 0.000 3.863) 14.517 19.724 ( 3.851 0.000 -7.845) 8.739 19.724 ( 3.851 0.000 7.845) 8.739 20.636 ( 1.872 0.000 -0.158) 1.878 20.636 ( 1.872 0.000 0.158) 1.878 25.009 ( 2.899 0.000 -27.566) 27.718 25.009 ( 2.899 0.000 27.566) 27.718 25.320 ( 0.686 0.000 -20.206) 20.218 25.320 ( 0.686 0.000 20.206) 20.218 ======================= Grid point 229 (78/90) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( -0.404 0.000 -0.239) 0.469 1.459 ( -0.404 0.000 0.239) 0.469 1.642 ( -0.427 0.000 -0.004) 0.427 1.642 ( -0.427 0.000 0.004) 0.427 1.921 ( -4.482 0.000 -0.969) 4.586 1.921 ( -4.482 0.000 0.969) 4.586 2.094 ( 2.594 0.000 -2.126) 3.354 2.094 ( 2.594 0.000 2.126) 3.354 2.834 ( -2.052 0.000 -9.063) 9.292 2.834 ( -2.052 0.000 9.063) 9.292 3.090 ( -11.187 0.000 -13.795) 17.761 3.090 ( -11.187 0.000 13.795) 17.761 3.517 ( -2.951 0.000 -6.474) 7.115 3.517 ( -2.951 0.000 6.474) 7.115 3.618 ( 11.758 0.000 -9.084) 14.858 3.618 ( 11.758 0.000 9.084) 14.858 3.902 ( 5.666 0.000 -1.017) 5.757 3.902 ( 5.666 0.000 1.017) 5.757 4.351 ( 11.477 0.000 0.000) 11.477 4.351 ( 11.477 0.000 0.000) 11.477 5.159 ( -13.631 0.000 -10.251) 17.055 5.159 ( -13.631 0.000 10.251) 17.055 5.337 ( 1.819 0.000 -5.672) 5.956 5.337 ( 1.819 0.000 5.672) 5.956 5.401 ( -12.873 0.000 -4.818) 13.745 5.401 ( -12.873 0.000 4.818) 13.745 5.807 ( -9.317 0.000 -2.998) 9.788 5.807 ( -9.317 0.000 2.998) 9.788 6.268 ( 6.419 0.000 -7.237) 9.674 6.268 ( 6.419 0.000 7.237) 9.674 7.073 ( 14.183 0.000 -6.779) 15.720 7.073 ( 14.183 0.000 6.779) 15.720 7.659 ( 7.424 0.000 -2.325) 7.779 7.659 ( 7.424 0.000 2.325) 7.779 7.750 ( 25.967 0.000 -3.507) 26.203 7.750 ( 25.967 0.000 3.507) 26.203 8.754 ( 4.427 0.000 -21.097) 21.556 8.754 ( 4.427 0.000 21.097) 21.556 9.096 ( 6.094 0.000 -13.583) 14.888 9.096 ( 6.094 0.000 13.583) 14.888 9.768 ( 19.783 0.000 -10.395) 22.348 9.768 ( 19.783 0.000 10.395) 22.348 10.143 ( -8.453 0.000 -6.232) 10.502 10.143 ( -8.453 0.000 6.232) 10.502 10.469 ( -23.593 0.000 -2.292) 23.704 10.469 ( -23.593 0.000 2.292) 23.704 11.153 ( 4.961 0.000 -0.756) 5.018 11.153 ( 4.961 0.000 0.756) 5.018 12.023 ( 6.563 0.000 -1.709) 6.782 12.023 ( 6.563 0.000 1.709) 6.782 12.492 ( -12.529 0.000 -2.012) 12.689 12.492 ( -12.529 0.000 2.012) 12.689 13.216 ( 1.740 0.000 -0.361) 1.777 13.216 ( 1.740 0.000 0.361) 1.777 14.009 ( -4.146 0.000 -10.837) 11.603 14.009 ( -4.146 0.000 10.837) 11.603 15.942 ( -4.453 0.000 -0.244) 4.460 15.942 ( -4.453 0.000 0.245) 4.460 17.364 ( -9.462 0.000 -9.219) 13.211 17.364 ( -9.462 0.000 9.219) 13.211 17.850 ( -19.846 0.000 -16.246) 25.647 17.850 ( -19.846 0.000 16.246) 25.647 18.583 ( -17.029 0.000 -3.084) 17.306 18.583 ( -17.029 0.000 3.084) 17.306 19.842 ( 8.058 0.000 -5.461) 9.734 19.842 ( 8.058 0.000 5.461) 9.734 20.650 ( -0.957 0.000 -0.018) 0.957 20.650 ( -0.957 0.000 0.018) 0.957 25.077 ( 3.711 0.000 -22.360) 22.666 25.077 ( 3.711 0.000 22.360) 22.666 25.326 ( -0.333 0.000 -16.006) 16.010 25.326 ( -0.333 0.000 16.006) 16.010 ======================= Grid point 231 (79/90) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( -6.143 0.000 -9.079) 10.962 1.383 ( -6.143 0.000 9.079) 10.962 1.709 ( 6.521 0.000 -3.293) 7.305 1.709 ( 6.521 0.000 3.293) 7.305 1.834 ( -3.989 0.000 -1.082) 4.133 1.834 ( -3.989 0.000 1.082) 4.133 2.141 ( 1.979 0.000 -1.084) 2.256 2.141 ( 1.979 0.000 1.084) 2.256 2.735 ( -10.972 0.000 -7.834) 13.482 2.735 ( -10.972 0.000 7.835) 13.482 2.831 ( -11.143 0.000 -11.049) 15.692 2.831 ( -11.143 0.000 11.049) 15.692 3.376 ( -8.401 0.000 -5.805) 10.211 3.376 ( -8.401 0.000 5.805) 10.211 3.787 ( 4.349 0.000 -6.492) 7.814 3.787 ( 4.349 0.000 6.492) 7.814 4.013 ( 5.454 0.000 -0.112) 5.455 4.013 ( 5.454 0.000 0.112) 5.455 4.561 ( 8.886 0.000 -0.039) 8.886 4.561 ( 8.886 0.000 0.040) 8.886 4.983 ( -4.306 0.000 -3.885) 5.800 4.983 ( -4.306 0.000 3.885) 5.800 5.223 ( -4.916 0.000 -1.021) 5.021 5.223 ( -4.916 0.000 1.021) 5.021 5.443 ( 6.266 0.000 -4.795) 7.890 5.443 ( 6.266 0.000 4.795) 7.890 5.679 ( -3.497 0.000 -0.022) 3.497 5.679 ( -3.497 0.000 0.022) 3.497 6.395 ( 6.433 0.000 -4.384) 7.785 6.395 ( 6.433 0.000 4.384) 7.785 7.218 ( 0.764 0.000 -6.590) 6.634 7.218 ( 0.764 0.000 6.590) 6.634 7.872 ( 13.879 0.000 -3.402) 14.290 7.872 ( 13.879 0.000 3.402) 14.290 8.203 ( 18.458 0.000 -3.435) 18.775 8.203 ( 18.458 0.000 3.435) 18.775 8.868 ( 7.459 0.000 -19.578) 20.951 8.868 ( 7.459 0.000 19.578) 20.951 9.216 ( 6.052 0.000 -6.077) 8.577 9.216 ( 6.052 0.000 6.077) 8.577 9.913 ( -10.790 0.000 -6.609) 12.653 9.913 ( -10.790 0.000 6.609) 12.653 10.040 ( -17.292 0.000 -4.049) 17.760 10.040 ( -17.292 0.000 4.049) 17.760 10.202 ( 17.060 0.000 -4.371) 17.612 10.202 ( 17.060 0.000 4.371) 17.612 11.233 ( 2.631 0.000 -1.317) 2.942 11.233 ( 2.631 0.000 1.317) 2.942 12.005 ( -7.251 0.000 -0.397) 7.262 12.005 ( -7.251 0.000 0.397) 7.262 12.341 ( -2.425 0.000 -5.807) 6.293 12.341 ( -2.425 0.000 5.807) 6.293 13.263 ( 2.882 0.000 -1.648) 3.320 13.263 ( 2.882 0.000 1.648) 3.320 13.903 ( -6.047 0.000 -6.963) 9.222 13.903 ( -6.047 0.000 6.963) 9.222 15.824 ( -7.112 0.000 -0.520) 7.131 15.824 ( -7.112 0.000 0.520) 7.131 17.113 ( -14.436 0.000 -6.435) 15.805 17.113 ( -14.436 0.000 6.435) 15.805 17.589 ( -6.074 0.000 -7.697) 9.805 17.589 ( -6.074 0.000 7.697) 9.805 18.267 ( -14.276 0.000 -0.875) 14.303 18.267 ( -14.276 0.000 0.875) 14.303 20.027 ( 10.304 0.000 -3.212) 10.792 20.027 ( 10.304 0.000 3.212) 10.792 20.592 ( -4.884 0.000 -0.181) 4.887 20.592 ( -4.884 0.000 0.181) 4.887 25.146 ( 3.161 0.000 -14.747) 15.082 25.146 ( 3.161 0.000 14.747) 15.082 25.304 ( -1.927 0.000 -10.036) 10.219 25.304 ( -1.927 0.000 10.036) 10.219 ======================= Grid point 233 (80/90) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( -3.472 0.000 -3.260) 4.763 1.276 ( -3.472 0.000 3.260) 4.763 1.775 ( -1.656 0.000 -0.400) 1.703 1.775 ( -1.656 0.000 0.400) 1.703 1.850 ( 5.858 0.000 -1.408) 6.025 1.850 ( 5.858 0.000 1.408) 6.025 2.167 ( 0.543 0.000 -0.135) 0.560 2.167 ( 0.543 0.000 0.135) 0.560 2.497 ( -8.548 0.000 -2.739) 8.976 2.497 ( -8.548 0.000 2.739) 8.976 2.652 ( -6.769 0.000 -6.033) 9.068 2.652 ( -6.769 0.000 6.033) 9.068 3.276 ( -1.819 0.000 -0.472) 1.879 3.276 ( -1.819 0.000 0.472) 1.879 3.821 ( 0.313 0.000 -1.290) 1.327 3.821 ( 0.313 0.000 1.290) 1.327 4.100 ( 2.661 0.000 -0.000) 2.661 4.100 ( 2.661 0.000 0.000) 2.661 4.671 ( 2.386 0.000 -0.138) 2.390 4.671 ( 2.386 0.000 0.138) 2.390 4.950 ( -0.107 0.000 -0.083) 0.135 4.950 ( -0.107 0.000 0.083) 0.135 5.169 ( -1.179 0.000 -0.099) 1.184 5.169 ( -1.179 0.000 0.099) 1.184 5.519 ( 1.132 0.000 -0.075) 1.135 5.519 ( 1.132 0.000 0.075) 1.135 5.673 ( 1.601 0.000 -2.125) 2.660 5.673 ( 1.601 0.000 2.125) 2.660 6.507 ( 3.931 0.000 -0.680) 3.989 6.507 ( 3.931 0.000 0.680) 3.989 7.173 ( -2.994 0.000 -1.386) 3.299 7.173 ( -2.994 0.000 1.386) 3.299 8.108 ( 7.508 0.000 -2.728) 7.988 8.108 ( 7.508 0.000 2.728) 7.988 8.443 ( 5.973 0.000 -2.204) 6.366 8.443 ( 5.973 0.000 2.204) 6.366 9.022 ( 5.941 0.000 -7.507) 9.573 9.022 ( 5.941 0.000 7.507) 9.573 9.347 ( 7.952 0.000 -0.688) 7.981 9.347 ( 7.952 0.000 0.688) 7.981 9.625 ( -14.537 0.000 -6.990) 16.130 9.625 ( -14.537 0.000 6.990) 16.130 9.830 ( -5.069 0.000 -1.608) 5.318 9.830 ( -5.069 0.000 1.608) 5.318 10.478 ( 8.235 0.000 -2.988) 8.761 10.478 ( 8.235 0.000 2.988) 8.761 11.252 ( -0.197 0.000 -0.118) 0.230 11.252 ( -0.197 0.000 0.118) 0.230 11.876 ( -3.833 0.000 -0.295) 3.845 11.876 ( -3.833 0.000 0.295) 3.845 12.320 ( -0.513 0.000 -2.575) 2.626 12.320 ( -0.513 0.000 2.575) 2.626 13.315 ( 1.824 0.000 -0.329) 1.854 13.315 ( 1.824 0.000 0.329) 1.854 13.803 ( -3.218 0.000 -1.263) 3.457 13.803 ( -3.218 0.000 1.263) 3.457 15.702 ( -4.023 0.000 -0.180) 4.027 15.702 ( -4.023 0.000 0.180) 4.027 16.899 ( -5.886 0.000 -0.733) 5.931 16.899 ( -5.886 0.000 0.733) 5.931 17.546 ( -0.029 0.000 -2.737) 2.737 17.546 ( -0.029 0.000 2.737) 2.737 18.057 ( -6.100 0.000 -0.030) 6.100 18.057 ( -6.100 0.000 0.030) 6.100 20.221 ( 8.291 0.000 -0.718) 8.322 20.221 ( 8.291 0.000 0.718) 8.322 20.472 ( -6.307 0.000 -0.197) 6.310 20.472 ( -6.307 0.000 0.197) 6.310 25.203 ( 2.728 0.000 -5.947) 6.543 25.203 ( 2.728 0.000 5.947) 6.543 25.257 ( -2.624 0.000 -2.501) 3.625 25.257 ( -2.624 0.000 2.501) 3.625 ======================= Grid point 243 (81/90) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( 0.000 -4.375 -5.729) 7.208 1.343 ( 0.000 -4.375 5.729) 7.208 1.732 ( 0.000 1.666 -4.571) 4.865 1.732 ( 0.000 1.666 4.571) 4.865 1.915 ( 0.000 -3.911 -2.135) 4.456 1.915 ( 0.000 -3.911 2.135) 4.456 2.315 ( 0.000 17.835 -4.615) 18.422 2.315 ( 0.000 17.835 4.615) 18.422 2.856 ( 0.000 3.990 -11.372) 12.052 2.856 ( 0.000 3.990 11.372) 12.052 3.182 ( 0.000 2.039 -8.159) 8.410 3.182 ( 0.000 2.039 8.159) 8.410 3.281 ( 0.000 -7.302 -2.535) 7.730 3.281 ( 0.000 -7.302 2.535) 7.730 3.408 ( 0.000 -1.116 -9.780) 9.843 3.408 ( 0.000 -1.115 9.780) 9.843 3.665 ( 0.000 -11.921 -2.237) 12.129 3.665 ( 0.000 -11.921 2.237) 12.129 4.200 ( 0.000 9.496 -1.235) 9.576 4.200 ( 0.000 9.496 1.235) 9.576 5.281 ( 0.000 -0.732 -1.538) 1.703 5.281 ( 0.000 -0.732 1.538) 1.703 5.704 ( 0.000 -6.610 -1.785) 6.847 5.704 ( 0.000 -6.610 1.785) 6.847 5.918 ( 0.000 0.760 -5.679) 5.730 5.918 ( 0.000 0.760 5.679) 5.730 6.132 ( 0.000 -2.563 -5.427) 6.002 6.132 ( 0.000 -2.563 5.427) 6.002 6.328 ( 0.000 5.968 -4.548) 7.503 6.328 ( 0.000 5.968 4.548) 7.503 6.667 ( 0.000 5.955 -7.050) 9.228 6.667 ( 0.000 5.955 7.050) 9.228 6.702 ( 0.000 0.824 -6.822) 6.871 6.702 ( 0.000 0.824 6.822) 6.871 7.540 ( 0.000 -1.957 -5.095) 5.458 7.540 ( 0.000 -1.957 5.095) 5.458 8.661 ( 0.000 -0.912 -9.818) 9.860 8.661 ( 0.000 -0.912 9.818) 9.860 8.848 ( 0.000 -4.833 -15.102) 15.856 8.848 ( 0.000 -4.833 15.102) 15.856 9.485 ( 0.000 14.693 -6.746) 16.168 9.485 ( 0.000 14.693 6.746) 16.168 10.214 ( 0.000 -11.867 -1.748) 11.995 10.214 ( 0.000 -11.867 1.748) 11.995 10.804 ( 0.000 -11.859 -1.205) 11.920 10.804 ( 0.000 -11.859 1.205) 11.920 11.439 ( 0.000 8.194 -7.760) 11.286 11.439 ( 0.000 8.194 7.760) 11.286 11.613 ( 0.000 5.176 -0.144) 5.178 11.613 ( 0.000 5.176 0.144) 5.178 12.781 ( 0.000 -3.781 -0.472) 3.810 12.781 ( 0.000 -3.781 0.472) 3.810 13.248 ( 0.000 4.025 -0.670) 4.080 13.248 ( 0.000 4.025 0.670) 4.080 13.993 ( 0.000 -5.467 -10.034) 11.426 13.993 ( 0.000 -5.467 10.034) 11.426 16.097 ( 0.000 6.131 -0.026) 6.131 16.097 ( 0.000 6.131 0.026) 6.131 17.597 ( 0.000 3.369 -7.602) 8.315 17.597 ( 0.000 3.369 7.602) 8.315 18.350 ( 0.000 -2.677 -15.490) 15.720 18.350 ( 0.000 -2.677 15.490) 15.720 19.008 ( 0.000 -3.592 -2.867) 4.596 19.008 ( 0.000 -3.592 2.867) 4.596 19.678 ( 0.000 -0.611 -6.513) 6.542 19.678 ( 0.000 -0.611 6.513) 6.542 20.611 ( 0.000 0.118 -0.541) 0.553 20.611 ( 0.000 0.118 0.541) 0.553 24.983 ( 0.000 0.355 -20.867) 20.870 24.983 ( 0.000 0.355 20.867) 20.870 25.313 ( 0.000 0.077 -15.497) 15.497 25.313 ( 0.000 0.077 15.497) 15.497 ======================= Grid point 245 (82/90) ======================= q-point: ( 0.11 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( -1.492 -4.217 0.000) 4.473 1.424 ( 2.492 -6.754 0.000) 7.199 1.700 ( -0.673 1.425 0.000) 1.576 1.720 ( -2.936 1.220 -0.000) 3.179 1.928 ( 0.798 -2.432 0.000) 2.559 1.937 ( 2.063 -1.768 0.000) 2.716 2.199 ( -6.861 16.041 0.000) 17.447 2.397 ( 3.939 19.111 0.000) 19.512 2.855 ( -1.998 -0.758 0.000) 2.137 2.913 ( 3.688 5.399 -0.000) 6.539 3.204 ( 0.465 0.272 0.000) 0.539 3.215 ( 1.961 2.968 -0.000) 3.557 3.309 ( 3.464 -7.982 0.000) 8.702 3.371 ( 7.387 -5.719 0.000) 9.343 3.448 ( 6.035 0.638 0.000) 6.069 3.490 ( 5.801 0.342 -0.000) 5.811 3.668 ( 4.622 -7.535 0.000) 8.840 3.788 ( 8.922 -15.318 0.000) 17.727 4.061 ( -5.419 10.694 0.000) 11.989 4.358 ( 7.633 3.927 0.000) 8.584 5.260 ( -1.106 -0.786 0.000) 1.357 5.286 ( 0.254 -1.094 0.000) 1.123 5.419 ( -15.954 -1.736 0.000) 16.049 5.602 ( -19.521 -4.320 0.000) 19.993 5.726 ( -16.108 6.312 0.000) 17.300 5.810 ( -25.016 -2.641 -0.000) 25.155 5.938 ( -6.658 2.183 0.000) 7.007 5.970 ( 5.241 -6.845 0.000) 8.621 6.275 ( 4.616 4.951 0.000) 6.769 6.313 ( -14.369 10.442 0.000) 17.762 6.671 ( 16.484 0.079 0.000) 16.484 6.836 ( 16.025 5.424 0.000) 16.918 7.116 ( 21.200 -7.325 0.000) 22.430 7.137 ( 26.827 -3.117 0.000) 27.008 7.552 ( 7.140 2.562 0.000) 7.586 7.670 ( 8.011 1.664 0.000) 8.182 8.679 ( 4.289 0.097 0.000) 4.290 8.700 ( 1.681 0.146 -0.000) 1.687 8.879 ( 3.059 -5.352 0.000) 6.164 8.924 ( 6.971 -5.799 -0.000) 9.067 9.543 ( 8.148 10.804 0.000) 13.532 9.628 ( 11.475 14.014 0.000) 18.113 10.069 ( -5.871 -9.973 0.000) 11.573 10.398 ( 8.979 -6.047 0.000) 10.826 10.599 ( -11.779 -8.446 0.000) 14.494 10.933 ( 1.124 -12.041 0.000) 12.094 11.072 ( -17.517 3.052 0.000) 17.781 11.162 ( -20.273 4.836 0.000) 20.842 11.783 ( 15.205 7.159 0.000) 16.806 11.980 ( 15.478 5.401 0.000) 16.393 12.664 ( -9.490 -2.332 0.000) 9.772 12.729 ( -7.527 -2.951 0.000) 8.085 13.197 ( -2.688 2.060 0.000) 3.387 13.241 ( -1.756 1.537 0.000) 2.333 13.978 ( -1.302 -4.945 -0.000) 5.114 14.006 ( 0.152 -4.630 0.000) 4.632 16.017 ( -5.178 5.961 0.000) 7.896 16.155 ( 2.526 6.240 0.000) 6.732 17.448 ( -11.216 1.426 -0.000) 11.306 17.608 ( -1.887 2.629 0.000) 3.237 18.194 ( -13.018 -1.077 -0.000) 13.062 18.250 ( -12.788 0.252 0.000) 12.790 18.873 ( -9.411 -0.746 0.000) 9.440 18.920 ( -12.715 0.417 0.000) 12.722 19.620 ( -3.872 -6.161 -0.000) 7.277 19.648 ( -0.695 -7.287 0.000) 7.320 20.630 ( 2.918 2.460 0.000) 3.817 20.704 ( 5.857 1.935 0.000) 6.169 25.008 ( 2.459 0.003 0.004) 2.459 25.009 ( 2.410 0.005 -0.004) 2.410 25.323 ( 0.901 0.391 0.000) 0.982 25.329 ( 1.287 0.386 -0.000) 1.344 ======================= Grid point 247 (83/90) ======================= q-point: ( 0.22 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( 3.665 -4.174 0.000) 5.555 1.430 ( -1.025 -5.601 0.000) 5.694 1.619 ( -6.719 0.548 0.000) 6.742 1.718 ( 1.242 -3.650 0.000) 3.856 1.935 ( -0.173 0.623 0.000) 0.647 1.974 ( 0.517 -1.204 0.000) 1.311 2.081 ( -3.292 19.037 0.000) 19.320 2.473 ( 3.779 19.759 0.000) 20.117 2.792 ( -3.921 -1.987 0.000) 4.396 2.934 ( -1.923 5.610 0.000) 5.931 3.089 ( -12.006 0.325 0.000) 12.010 3.135 ( -10.347 1.892 -0.000) 10.519 3.298 ( -4.169 -11.069 -0.000) 11.828 3.545 ( 4.318 -5.297 0.000) 6.834 3.610 ( 6.387 -0.991 0.000) 6.463 3.675 ( 12.725 4.171 -0.000) 13.391 3.815 ( 8.339 -4.171 0.000) 9.324 3.938 ( 5.625 -5.730 0.000) 8.030 4.060 ( 6.948 -0.862 0.000) 7.001 4.478 ( 4.126 -5.799 0.000) 7.117 5.149 ( -8.523 3.667 0.000) 9.278 5.201 ( -17.616 -0.088 0.000) 17.616 5.274 ( -1.286 -2.245 0.000) 2.587 5.320 ( 4.023 -1.835 -0.000) 4.421 5.371 ( -13.549 0.995 0.000) 13.586 5.482 ( -8.253 4.068 0.000) 9.201 5.809 ( -5.820 4.923 0.000) 7.623 6.075 ( 4.195 -9.001 0.000) 9.931 6.102 ( -7.395 16.512 0.000) 18.093 6.401 ( 7.522 4.406 0.000) 8.717 6.963 ( 12.547 -5.643 0.000) 13.757 7.069 ( 5.983 -6.364 0.000) 8.734 7.492 ( 18.773 -2.650 0.000) 18.959 7.647 ( 23.693 -4.525 0.000) 24.122 7.840 ( 19.583 4.004 -0.000) 19.988 7.840 ( 9.979 5.327 0.000) 11.312 8.740 ( 2.794 0.791 0.000) 2.903 8.825 ( 9.697 4.290 -0.000) 10.603 8.956 ( 4.822 -7.383 0.000) 8.818 9.087 ( 8.857 -4.292 -0.000) 9.842 9.761 ( 11.670 2.334 0.000) 11.901 9.864 ( 6.423 -0.251 0.000) 6.428 10.022 ( 5.991 5.504 0.000) 8.135 10.343 ( -14.607 -2.917 0.000) 14.896 10.466 ( -4.311 14.853 0.000) 15.466 10.576 ( -26.357 3.007 0.000) 26.528 10.879 ( 1.656 -15.276 0.000) 15.365 11.101 ( 3.373 -11.093 0.000) 11.595 12.019 ( 7.941 6.775 0.000) 10.439 12.203 ( 6.708 5.893 0.000) 8.929 12.444 ( -11.256 -1.306 0.000) 11.332 12.504 ( -13.865 -1.269 0.000) 13.923 13.179 ( 1.138 -2.600 0.000) 2.838 13.200 ( -2.073 -1.926 0.000) 2.830 13.921 ( -4.911 -3.962 0.000) 6.310 13.981 ( -2.889 -3.661 0.000) 4.663 15.881 ( -8.832 5.423 0.000) 10.364 16.194 ( 1.361 5.917 0.000) 6.071 17.166 ( -17.323 -0.097 0.000) 17.324 17.558 ( -2.456 -0.229 0.000) 2.466 17.877 ( -17.579 5.238 -0.000) 18.343 17.918 ( -17.686 4.399 0.000) 18.225 18.566 ( -20.927 2.205 0.000) 21.043 18.641 ( -14.174 2.064 0.000) 14.323 19.603 ( 2.580 -13.606 0.000) 13.849 19.690 ( 4.380 -15.281 0.000) 15.897 20.682 ( 1.869 6.761 0.000) 7.014 20.798 ( 3.233 5.107 0.000) 6.044 25.065 ( 2.899 -0.805 0.002) 3.008 25.066 ( 3.048 -0.875 -0.002) 3.171 25.335 ( 0.080 1.153 0.000) 1.156 25.350 ( 0.528 1.082 -0.000) 1.204 ======================= Grid point 249 (84/90) ======================= q-point: ( 0.33 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( -4.173 -0.768 0.000) 4.244 1.415 ( -0.019 -0.812 0.000) 0.812 1.558 ( 4.694 -1.772 0.000) 5.017 1.686 ( -4.868 -6.082 0.000) 7.790 1.922 ( -1.056 1.876 0.000) 2.153 1.964 ( 0.567 -2.672 0.000) 2.732 2.101 ( 3.324 20.030 0.000) 20.304 2.521 ( -0.861 20.014 0.000) 20.032 2.683 ( -7.129 -2.390 0.000) 7.519 2.760 ( -15.262 0.231 0.000) 15.263 2.860 ( -10.228 2.427 0.000) 10.512 2.880 ( -13.344 2.831 -0.000) 13.641 3.162 ( -7.872 -11.030 0.000) 13.551 3.520 ( -3.423 3.964 0.000) 5.238 3.653 ( -0.994 -7.498 0.000) 7.563 3.848 ( 4.958 0.879 0.000) 5.035 3.959 ( 6.193 -0.052 0.000) 6.194 4.098 ( 7.754 2.999 0.000) 8.313 4.240 ( 10.651 -12.711 0.000) 16.583 4.524 ( 1.009 -12.571 0.000) 12.612 4.942 ( -9.658 -2.005 0.000) 9.864 4.998 ( -7.798 -6.111 0.000) 9.907 5.186 ( 1.554 10.862 0.000) 10.972 5.398 ( -0.868 6.581 0.000) 6.638 5.418 ( 6.705 2.247 0.000) 7.071 5.461 ( 9.504 -1.693 0.000) 9.654 5.722 ( -2.992 5.568 0.000) 6.321 5.993 ( -3.946 20.714 0.000) 21.086 6.138 ( 2.030 -12.580 0.000) 12.743 6.567 ( 9.425 3.951 0.000) 10.219 7.090 ( -2.981 -9.719 0.000) 10.166 7.136 ( 4.654 -6.618 0.000) 8.091 7.866 ( 18.026 3.094 0.000) 18.289 7.988 ( 12.337 5.703 0.000) 13.591 8.122 ( 16.391 -4.749 0.000) 17.065 8.209 ( 16.242 -1.539 0.000) 16.314 8.823 ( 5.879 1.080 0.000) 5.977 9.016 ( 9.456 6.028 0.000) 11.214 9.087 ( 8.630 -5.380 0.000) 10.169 9.260 ( 8.585 -0.546 0.000) 8.602 9.815 ( -7.287 -3.728 0.000) 8.186 9.864 ( -3.247 -4.034 0.000) 5.179 10.015 ( -17.708 0.463 0.000) 17.714 10.070 ( -22.291 0.266 0.000) 22.292 10.316 ( 16.628 10.653 0.000) 19.748 10.437 ( 5.114 14.235 0.000) 15.126 11.024 ( 9.122 -13.549 0.000) 16.334 11.131 ( -1.167 -10.789 0.000) 10.852 12.049 ( -4.123 7.123 0.000) 8.230 12.173 ( -10.024 7.748 0.000) 12.669 12.318 ( -2.942 -2.004 0.000) 3.559 12.318 ( -0.843 -1.411 -0.000) 1.644 13.165 ( -1.510 -4.684 0.000) 4.921 13.245 ( 5.539 -6.174 0.000) 8.295 13.784 ( -8.766 -3.309 0.000) 9.369 13.898 ( -4.959 -3.434 0.000) 6.032 15.678 ( -11.026 4.729 0.000) 11.998 16.212 ( 0.826 2.634 0.000) 2.761 16.791 ( -19.411 5.450 0.000) 20.162 17.506 ( -5.294 -7.286 0.000) 9.007 17.599 ( -6.563 18.197 0.000) 19.344 17.656 ( -8.214 4.486 0.000) 9.359 18.170 ( -18.178 -0.794 0.000) 18.196 18.357 ( -13.408 1.727 0.000) 13.518 19.691 ( 5.264 -17.677 0.000) 18.444 19.789 ( 5.000 -20.598 0.000) 21.196 20.699 ( -0.030 11.495 0.000) 11.495 20.831 ( 0.436 8.502 0.000) 8.513 25.116 ( 2.208 -1.741 0.000) 2.811 25.117 ( 2.041 -1.972 -0.000) 2.839 25.324 ( -1.036 2.089 0.000) 2.332 25.344 ( -0.969 1.861 -0.000) 2.098 ======================= Grid point 251 (85/90) ======================= q-point: ( 0.44 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( -4.252 1.232 0.000) 4.426 1.442 ( 2.637 5.836 0.000) 6.404 1.567 ( -5.789 -6.595 0.000) 8.775 1.732 ( 9.448 -1.293 0.000) 9.537 1.892 ( -2.387 0.232 0.000) 2.398 1.994 ( 1.511 -5.945 0.000) 6.134 2.166 ( 2.526 17.793 0.000) 17.972 2.365 ( -9.417 5.186 0.000) 10.751 2.534 ( -5.062 1.043 0.000) 5.168 2.626 ( -0.033 12.662 0.000) 12.663 2.628 ( -10.652 -0.682 0.000) 10.674 2.665 ( -7.017 1.885 -0.000) 7.266 3.064 ( -1.963 -9.540 0.000) 9.739 3.500 ( 0.909 10.856 0.000) 10.894 3.612 ( -2.270 -12.049 0.000) 12.261 3.905 ( 1.343 0.454 0.000) 1.418 4.048 ( 2.526 1.037 0.000) 2.731 4.197 ( 2.534 3.865 0.000) 4.622 4.431 ( 6.924 -14.375 0.000) 15.955 4.531 ( -0.061 -13.629 0.000) 13.629 4.790 ( -5.438 -4.593 0.000) 7.118 4.894 ( -2.609 -9.718 0.000) 10.062 5.246 ( 2.488 14.935 0.000) 15.141 5.400 ( 0.439 8.346 0.000) 8.357 5.515 ( 2.390 5.023 0.000) 5.562 5.645 ( 6.895 -0.501 0.000) 6.913 5.692 ( -0.277 1.818 0.000) 1.839 5.930 ( -2.390 21.746 0.000) 21.877 6.160 ( 0.375 -15.305 0.000) 15.310 6.763 ( 9.750 5.212 0.000) 11.056 6.977 ( -7.708 -10.203 0.000) 12.787 7.167 ( -0.179 -3.970 0.000) 3.974 8.136 ( 7.876 3.333 0.000) 8.552 8.185 ( 6.256 5.667 0.000) 8.441 8.351 ( 6.036 -5.536 0.000) 8.190 8.436 ( 6.142 -3.193 0.000) 6.923 8.952 ( 5.508 1.207 0.000) 5.639 9.223 ( 10.935 2.324 0.000) 11.179 9.252 ( 7.068 1.345 0.000) 7.195 9.417 ( 6.962 3.622 0.000) 7.848 9.561 ( -15.904 0.595 0.000) 15.916 9.681 ( -11.279 -0.201 0.000) 11.281 9.760 ( -6.601 -5.041 0.000) 8.306 9.781 ( -7.014 -4.825 0.000) 8.514 10.563 ( 4.489 7.659 0.000) 8.878 10.605 ( 10.410 9.732 0.000) 14.251 11.055 ( -4.977 -11.637 0.000) 12.657 11.163 ( 4.077 -9.849 0.000) 10.660 11.980 ( -1.638 8.105 0.000) 8.269 12.021 ( -3.744 9.940 0.000) 10.621 12.261 ( -2.568 -3.159 0.000) 4.071 12.325 ( 0.323 -1.801 0.000) 1.830 13.143 ( -0.650 -6.281 0.000) 6.315 13.388 ( 8.598 -10.207 0.000) 13.346 13.594 ( -9.844 -1.059 0.000) 9.901 13.817 ( -2.564 -3.774 0.000) 4.562 15.501 ( -5.451 4.607 0.000) 7.137 16.247 ( 2.993 -12.767 0.000) 13.114 16.472 ( -11.263 23.936 0.000) 26.454 17.389 ( -3.417 5.133 0.000) 6.166 17.574 ( -1.238 2.863 0.000) 3.120 17.597 ( 2.272 13.196 0.000) 13.390 17.890 ( -9.067 -6.548 0.000) 11.184 18.159 ( -5.699 1.269 0.000) 5.839 19.773 ( 2.454 -20.220 0.000) 20.368 19.863 ( 2.124 -24.435 0.000) 24.527 20.692 ( -0.335 15.274 0.000) 15.277 20.829 ( -0.266 11.163 0.000) 11.166 25.144 ( 0.677 -2.928 -0.000) 3.005 25.148 ( 0.965 -2.633 0.000) 2.805 25.305 ( -0.671 2.916 0.000) 2.992 25.322 ( -0.866 2.628 0.000) 2.767 ======================= Grid point 261 (86/90) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( 0.000 -0.000 0.000) 0.000 1.291 ( 0.000 0.000 0.000) 0.000 1.761 ( 0.000 -0.000 0.000) 0.000 1.761 ( 0.000 0.000 0.000) 0.000 1.860 ( 0.000 0.000 0.000) 0.000 1.860 ( 0.000 0.000 0.000) 0.000 2.635 ( 0.000 -0.000 0.000) 0.000 2.635 ( 0.000 0.000 0.000) 0.000 2.808 ( 0.000 -0.000 -0.000) 0.000 2.808 ( 0.000 0.000 -0.000) 0.000 3.151 ( 0.000 0.000 0.000) 0.000 3.151 ( 0.000 0.000 0.000) 0.000 3.326 ( 0.000 -0.000 0.000) 0.000 3.326 ( 0.000 0.000 0.000) 0.000 3.328 ( 0.000 -0.000 -0.000) 0.000 3.328 ( 0.000 0.000 -0.000) 0.000 3.512 ( 0.000 -0.000 0.000) 0.000 3.512 ( 0.000 0.000 0.000) 0.000 4.310 ( 0.000 -0.000 0.000) 0.000 4.310 ( 0.000 0.000 0.000) 0.000 5.271 ( 0.000 0.000 0.000) 0.000 5.271 ( 0.000 0.000 0.000) 0.000 5.615 ( 0.000 -0.000 0.000) 0.000 5.615 ( 0.000 0.000 0.000) 0.000 5.933 ( 0.000 -0.000 0.000) 0.000 5.933 ( 0.000 0.000 0.000) 0.000 6.103 ( 0.000 -0.000 -0.000) 0.000 6.103 ( 0.000 0.000 -0.000) 0.000 6.403 ( 0.000 -0.000 0.000) 0.000 6.403 ( 0.000 0.000 0.000) 0.000 6.705 ( 0.000 0.000 0.000) 0.000 6.705 ( 0.000 0.000 0.000) 0.000 6.752 ( 0.000 0.000 0.000) 0.000 6.752 ( 0.000 0.000 0.000) 0.000 7.512 ( 0.000 -0.000 0.000) 0.000 7.512 ( 0.000 0.000 0.000) 0.000 8.648 ( 0.000 0.000 0.000) 0.000 8.648 ( 0.000 0.000 0.000) 0.000 8.792 ( 0.000 0.000 -0.000) 0.000 8.792 ( 0.000 -0.000 -0.000) 0.000 9.791 ( 0.000 -0.000 0.000) 0.000 9.791 ( 0.000 0.000 0.000) 0.000 9.934 ( 0.000 -0.000 0.000) 0.000 9.934 ( 0.000 0.000 0.000) 0.000 10.667 ( 0.000 -0.000 0.000) 0.000 10.667 ( 0.000 0.000 0.000) 0.000 11.600 ( 0.000 -0.000 0.000) 0.000 11.600 ( 0.000 0.000 0.000) 0.000 11.611 ( 0.000 -0.000 -0.000) 0.000 11.611 ( 0.000 0.000 0.000) 0.000 12.740 ( 0.000 -0.000 0.000) 0.000 12.740 ( 0.000 0.000 0.000) 0.000 13.297 ( 0.000 0.000 0.000) 0.000 13.297 ( 0.000 0.000 0.000) 0.000 13.920 ( 0.000 -0.000 0.000) 0.000 13.920 ( 0.000 0.000 0.000) 0.000 16.179 ( 0.000 -0.000 0.000) 0.000 16.179 ( 0.000 0.000 0.000) 0.000 17.648 ( 0.000 -0.000 0.000) 0.000 17.648 ( 0.000 0.000 0.000) 0.000 18.308 ( 0.000 -0.000 0.000) 0.000 18.308 ( 0.000 0.000 0.000) 0.000 18.960 ( 0.000 -0.000 0.000) 0.000 18.960 ( 0.000 0.000 0.000) 0.000 19.670 ( 0.000 0.000 0.000) 0.000 19.670 ( 0.000 -0.000 0.000) 0.000 20.613 ( 0.000 -0.000 0.000) 0.000 20.613 ( 0.000 0.000 0.000) 0.000 24.988 ( 0.000 -0.000 0.000) 0.000 24.988 ( 0.000 0.000 0.000) 0.000 25.314 ( 0.000 -0.000 -0.000) 0.000 25.314 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 265 (87/90) ======================= q-point: ( 0.11 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( -0.112 -4.616 0.000) 4.617 1.284 ( -0.112 4.616 0.000) 4.617 1.725 ( -3.186 -0.776 0.000) 3.279 1.725 ( -3.186 0.776 0.000) 3.279 1.906 ( 3.490 -0.601 0.000) 3.541 1.906 ( 3.490 0.601 0.000) 3.541 2.565 ( -5.006 -12.969 0.000) 13.902 2.565 ( -5.006 12.969 0.000) 13.902 2.903 ( 7.388 -12.353 0.000) 14.394 2.903 ( 7.388 12.352 0.000) 14.394 3.111 ( -2.521 -3.373 0.000) 4.211 3.111 ( -2.521 3.373 0.000) 4.211 3.361 ( 0.443 -0.943 0.000) 1.042 3.361 ( 0.443 0.943 -0.000) 1.042 3.516 ( 14.975 -7.251 0.000) 16.639 3.516 ( 14.975 7.251 0.000) 16.639 3.532 ( 4.320 -2.865 -0.000) 5.184 3.532 ( 4.320 2.865 -0.000) 5.184 4.284 ( -2.480 -9.057 0.000) 9.390 4.284 ( -2.480 9.057 0.000) 9.390 5.259 ( -0.679 -0.835 0.000) 1.076 5.259 ( -0.679 0.835 0.000) 1.076 5.485 ( -11.829 -6.249 0.000) 13.378 5.485 ( -11.829 6.249 0.000) 13.378 5.778 ( -21.052 -0.141 0.000) 21.052 5.778 ( -21.052 0.141 0.000) 21.052 5.934 ( -1.627 -2.288 0.000) 2.807 5.934 ( -1.627 2.288 0.000) 2.807 6.390 ( 0.213 -3.764 0.000) 3.770 6.390 ( 0.213 3.764 0.000) 3.770 6.786 ( 4.884 -9.602 0.000) 10.773 6.786 ( 4.884 9.602 0.000) 10.773 7.061 ( 24.323 -3.392 0.000) 24.559 7.061 ( 24.323 3.392 0.000) 24.559 7.640 ( 11.428 -3.966 0.000) 12.096 7.640 ( 11.428 3.966 0.000) 12.096 8.696 ( 4.484 -0.804 0.000) 4.556 8.696 ( 4.484 0.804 0.000) 4.556 8.828 ( 3.944 -1.546 -0.000) 4.236 8.828 ( 3.944 1.546 -0.000) 4.236 9.784 ( 0.651 -8.957 0.000) 8.980 9.784 ( 0.651 8.957 0.000) 8.980 10.050 ( 9.574 -16.662 0.000) 19.217 10.050 ( 9.574 16.662 0.000) 19.217 10.673 ( 0.729 -9.624 0.000) 9.651 10.673 ( 0.729 9.624 0.000) 9.651 11.168 ( -23.426 -3.752 0.000) 23.725 11.168 ( -23.426 3.752 0.000) 23.725 11.960 ( 15.208 -6.601 0.000) 16.579 11.960 ( 15.208 6.601 0.000) 16.579 12.665 ( -7.585 -2.138 0.000) 7.881 12.665 ( -7.585 2.138 0.000) 7.881 13.241 ( -4.684 -1.402 0.000) 4.889 13.241 ( -4.684 1.402 0.000) 4.889 13.930 ( 0.324 -1.172 0.000) 1.216 13.930 ( 0.324 1.172 0.000) 1.216 16.163 ( -1.817 -5.221 0.000) 5.528 16.163 ( -1.817 5.221 0.000) 5.528 17.557 ( -8.318 -6.487 0.000) 10.548 17.557 ( -8.318 6.487 0.000) 10.548 18.220 ( -9.243 -2.787 0.000) 9.654 18.220 ( -9.243 2.787 0.000) 9.654 18.895 ( -7.263 -2.388 0.000) 7.645 18.895 ( -7.263 2.388 0.000) 7.645 19.542 ( -9.233 -0.445 0.000) 9.244 19.542 ( -9.233 0.445 0.000) 9.244 20.695 ( 6.533 -2.516 0.000) 7.001 20.695 ( 6.533 2.516 0.000) 7.001 25.009 ( 1.989 -0.042 0.000) 1.990 25.009 ( 1.989 0.042 0.000) 1.990 25.331 ( 1.486 -0.212 -0.000) 1.501 25.331 ( 1.486 0.212 -0.000) 1.501 ======================= Grid point 269 (88/90) ======================= q-point: ( 0.22 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( 2.843 -4.333 0.000) 5.183 1.310 ( 2.843 4.333 0.000) 5.183 1.647 ( -4.565 -2.229 0.000) 5.080 1.647 ( -4.565 2.229 0.000) 5.080 1.951 ( 0.563 -0.988 0.000) 1.137 1.951 ( 0.563 0.988 0.000) 1.137 2.505 ( -0.493 -16.809 0.000) 16.816 2.505 ( -0.493 16.809 0.000) 16.816 2.972 ( -4.023 -13.873 0.000) 14.444 2.972 ( -4.023 13.873 0.000) 14.444 3.056 ( -3.573 -5.222 -0.000) 6.328 3.056 ( -3.573 5.222 -0.000) 6.328 3.286 ( -5.315 -9.081 0.000) 10.522 3.286 ( -5.315 9.081 -0.000) 10.522 3.682 ( 7.570 -4.700 0.000) 8.911 3.682 ( 7.570 4.700 0.000) 8.911 3.809 ( 13.235 -4.669 0.000) 14.035 3.809 ( 13.235 4.669 0.000) 14.035 4.235 ( -1.413 -12.759 0.000) 12.837 4.235 ( -1.413 12.759 0.000) 12.837 5.193 ( -16.042 -0.127 0.000) 16.042 5.193 ( -16.042 0.127 0.000) 16.042 5.278 ( 2.815 -2.228 -0.000) 3.590 5.278 ( 2.815 2.228 0.000) 3.590 5.475 ( -6.944 -5.217 0.000) 8.686 5.475 ( -6.944 5.217 0.000) 8.686 5.916 ( -0.977 -5.306 0.000) 5.395 5.916 ( -0.977 5.306 0.000) 5.395 6.400 ( 1.014 -7.534 0.000) 7.602 6.400 ( 1.014 7.534 0.000) 7.602 6.905 ( 6.267 -3.246 0.000) 7.058 6.905 ( 6.267 3.246 0.000) 7.058 7.542 ( 23.862 -4.941 0.000) 24.368 7.542 ( 23.862 4.941 0.000) 24.368 7.893 ( 13.153 -0.332 0.000) 13.157 7.893 ( 13.153 0.332 0.000) 13.157 8.796 ( 5.252 -4.657 0.000) 7.019 8.796 ( 5.252 4.657 0.000) 7.019 8.964 ( 9.917 -6.163 -0.000) 11.676 8.964 ( 9.917 6.163 -0.000) 11.676 9.814 ( 1.433 -2.376 0.000) 2.775 9.814 ( 1.433 2.376 0.000) 2.775 10.237 ( 6.619 -9.126 0.000) 11.273 10.237 ( 6.619 9.126 0.000) 11.273 10.625 ( -13.177 -4.574 0.000) 13.948 10.625 ( -13.177 4.574 0.000) 13.948 10.806 ( -3.033 -14.816 0.000) 15.124 10.806 ( -3.033 14.816 0.000) 15.124 12.191 ( 7.964 -6.532 0.000) 10.300 12.191 ( 7.964 6.532 0.000) 10.300 12.457 ( -12.477 -2.250 0.000) 12.678 12.457 ( -12.477 2.250 0.000) 12.678 13.156 ( -3.321 -1.195 0.000) 3.529 13.156 ( -3.321 1.195 0.000) 3.529 13.905 ( -3.190 -2.337 0.000) 3.954 13.905 ( -3.190 2.337 0.000) 3.954 16.092 ( -5.873 -11.424 0.000) 12.845 16.092 ( -5.873 11.424 0.000) 12.845 17.370 ( -9.544 -13.860 0.000) 16.829 17.370 ( -9.544 13.860 0.000) 16.829 17.975 ( -13.853 -0.989 0.000) 13.888 17.975 ( -13.853 0.989 0.000) 13.888 18.645 ( -17.369 -2.684 0.000) 17.575 18.645 ( -17.369 2.684 0.000) 17.575 19.444 ( -0.111 -2.588 0.000) 2.590 19.444 ( -0.111 2.588 0.000) 2.590 20.813 ( 4.800 -3.628 0.000) 6.016 20.813 ( 4.800 3.628 0.000) 6.016 25.054 ( 2.360 -0.023 0.000) 2.360 25.054 ( 2.360 0.023 0.000) 2.360 25.357 ( 0.819 -0.509 -0.000) 0.964 25.357 ( 0.819 0.509 -0.000) 0.964 ======================= Grid point 273 (89/90) ======================= q-point: ( 0.33 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( 0.389 -3.062 0.000) 3.086 1.361 ( 0.389 3.062 0.000) 3.086 1.587 ( 0.596 -3.400 0.000) 3.452 1.587 ( 0.596 3.400 0.000) 3.452 1.936 ( -1.725 -0.258 0.000) 1.745 1.936 ( -1.725 0.258 0.000) 1.745 2.521 ( 0.567 -15.790 0.000) 15.801 2.521 ( 0.567 15.790 0.000) 15.801 2.766 ( -13.682 -0.853 0.000) 13.708 2.766 ( -13.682 0.853 0.000) 13.708 2.883 ( -13.189 -0.548 -0.000) 13.201 2.883 ( -13.189 0.548 -0.000) 13.201 3.233 ( -1.068 -18.960 0.000) 18.990 3.233 ( -1.068 18.960 0.000) 18.990 3.767 ( 1.917 -8.213 0.000) 8.434 3.767 ( 1.917 8.213 0.000) 8.434 4.025 ( 9.057 -5.235 0.000) 10.461 4.025 ( 9.057 5.235 0.000) 10.461 4.251 ( 2.321 -9.524 0.000) 9.803 4.251 ( 2.321 9.524 0.000) 9.803 4.922 ( -10.886 -0.843 0.000) 10.919 4.922 ( -10.886 0.843 0.000) 10.919 5.381 ( 6.722 -6.139 0.000) 9.103 5.381 ( 6.722 6.139 0.000) 9.103 5.469 ( 4.575 -0.520 0.000) 4.605 5.469 ( 4.575 0.520 0.000) 4.605 5.884 ( -2.543 -10.016 0.000) 10.333 5.884 ( -2.543 10.016 0.000) 10.333 6.432 ( 2.046 -17.106 0.000) 17.228 6.432 ( 2.046 17.106 0.000) 17.228 7.004 ( 3.407 -3.630 0.000) 4.978 7.004 ( 3.407 3.630 0.000) 4.978 7.970 ( 18.704 -5.795 0.000) 19.581 7.970 ( 18.704 5.795 0.000) 19.581 8.138 ( 11.659 -4.736 0.000) 12.584 8.138 ( 11.659 4.736 0.000) 12.584 8.909 ( 6.646 -6.546 0.000) 9.329 8.909 ( 6.646 6.546 0.000) 9.329 9.192 ( 12.505 -5.737 0.000) 13.759 9.192 ( 12.505 5.737 0.000) 13.759 9.796 ( -4.146 -1.676 0.000) 4.472 9.796 ( -4.146 1.676 0.000) 4.472 10.050 ( -21.494 -1.992 0.000) 21.586 10.050 ( -21.494 1.992 0.000) 21.586 10.564 ( 8.094 -8.970 0.000) 12.082 10.564 ( 8.094 8.970 0.000) 12.082 10.889 ( 5.482 -8.100 0.000) 9.781 10.889 ( 5.482 8.100 0.000) 9.781 12.203 ( -7.512 -5.111 0.000) 9.086 12.203 ( -7.512 5.111 0.000) 9.086 12.300 ( -0.989 -0.401 0.000) 1.067 12.300 ( -0.989 0.401 -0.000) 1.067 13.119 ( -0.505 -2.004 0.000) 2.067 13.119 ( -0.505 2.004 0.000) 2.067 13.808 ( -6.101 -4.013 0.000) 7.302 13.808 ( -6.101 4.013 0.000) 7.302 15.936 ( -9.161 -16.978 0.000) 19.292 15.936 ( -9.161 16.978 0.000) 19.292 17.211 ( -6.259 -20.679 0.000) 21.605 17.211 ( -6.259 20.679 0.000) 21.605 17.751 ( -7.773 -2.305 0.000) 8.108 17.751 ( -7.773 2.305 0.000) 8.108 18.294 ( -16.509 -8.109 0.000) 18.393 18.294 ( -16.509 8.109 0.000) 18.393 19.488 ( 3.225 -2.705 0.000) 4.209 19.488 ( 3.225 2.705 0.000) 4.209 20.880 ( 2.187 -3.893 0.000) 4.465 20.880 ( 2.187 3.893 0.000) 4.465 25.094 ( 1.557 -0.022 0.000) 1.557 25.094 ( 1.557 0.022 0.000) 1.557 25.359 ( -0.546 -0.663 0.000) 0.859 25.359 ( -0.546 0.663 0.000) 0.859 ======================= Grid point 277 (90/90) ======================= q-point: ( 0.44 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( -2.208 -7.975 0.000) 8.275 1.322 ( -2.208 7.975 0.000) 8.275 1.675 ( 5.648 -6.836 0.000) 8.867 1.675 ( 5.648 6.836 0.000) 8.867 1.891 ( -2.607 -2.980 0.000) 3.959 1.891 ( -2.607 2.980 0.000) 3.959 2.439 ( -6.389 -0.158 0.000) 6.391 2.439 ( -6.389 0.158 0.000) 6.391 2.614 ( -3.369 -10.318 -0.000) 10.854 2.614 ( -3.369 10.318 0.000) 10.854 2.646 ( -6.073 -4.069 0.000) 7.310 2.646 ( -6.073 4.069 0.000) 7.310 3.219 ( -0.368 -20.380 0.000) 20.383 3.219 ( -0.368 20.380 0.000) 20.383 3.792 ( 0.733 -11.349 0.000) 11.372 3.792 ( 0.733 11.349 0.000) 11.372 4.163 ( 4.365 -9.567 0.000) 10.516 4.163 ( 4.365 9.567 0.000) 10.516 4.290 ( 1.111 -6.699 0.000) 6.791 4.290 ( 1.111 6.699 0.000) 6.791 4.765 ( -4.652 -2.441 0.000) 5.254 4.765 ( -4.652 2.441 0.000) 5.254 5.484 ( 2.744 -3.422 0.000) 4.386 5.484 ( 2.744 3.422 0.000) 4.386 5.600 ( 6.849 -2.881 0.000) 7.430 5.600 ( 6.849 2.881 0.000) 7.430 5.813 ( -4.235 -11.523 0.000) 12.277 5.813 ( -4.235 11.523 0.000) 12.277 6.467 ( 1.132 -23.129 0.000) 23.156 6.467 ( 1.132 23.129 0.000) 23.156 7.040 ( 0.584 -7.448 0.000) 7.471 7.040 ( 0.584 7.448 0.000) 7.471 8.231 ( 7.024 -5.307 0.000) 8.803 8.231 ( 7.024 5.307 0.000) 8.803 8.324 ( 5.790 -6.619 0.000) 8.794 8.324 ( 5.790 6.619 0.000) 8.794 9.057 ( 7.126 -7.834 -0.000) 10.590 9.057 ( 7.126 7.834 0.000) 10.590 9.437 ( 12.168 -4.863 0.000) 13.104 9.437 ( 12.168 4.863 0.000) 13.104 9.627 ( -11.650 -4.005 0.000) 12.319 9.627 ( -11.650 4.005 0.000) 12.319 9.688 ( -12.476 -1.174 0.000) 12.531 9.688 ( -12.476 1.174 0.000) 12.531 10.733 ( 6.915 -5.115 0.000) 8.601 10.733 ( 6.915 5.115 0.000) 8.601 10.937 ( -0.725 -7.473 0.000) 7.509 10.937 ( -0.725 7.473 0.000) 7.509 12.132 ( 0.831 -3.846 0.000) 3.935 12.132 ( 0.831 3.846 0.000) 3.935 12.246 ( -4.133 -4.498 0.000) 6.109 12.246 ( -4.133 4.498 0.000) 6.109 13.126 ( 0.700 -6.628 0.000) 6.665 13.126 ( 0.700 6.628 0.000) 6.665 13.702 ( -3.570 -6.315 0.000) 7.254 13.702 ( -3.570 6.315 0.000) 7.254 15.785 ( -4.696 -19.759 0.000) 20.309 15.785 ( -4.696 19.759 0.000) 20.309 17.130 ( -2.043 -24.392 0.000) 24.477 17.130 ( -2.043 24.392 0.000) 24.477 17.673 ( -1.021 -5.832 0.000) 5.921 17.673 ( -1.021 5.832 0.000) 5.921 18.049 ( -7.238 -12.805 0.000) 14.709 18.049 ( -7.238 12.805 0.000) 14.709 19.538 ( 1.479 -2.055 0.000) 2.532 19.538 ( 1.479 2.055 0.000) 2.532 20.906 ( 0.572 -3.833 0.000) 3.876 20.906 ( 0.572 3.833 0.000) 3.876 25.114 ( 0.530 -0.241 0.000) 0.582 25.114 ( 0.530 0.241 0.000) 0.582 25.345 ( -0.528 -0.569 0.000) 0.777 25.345 ( -0.528 0.569 0.000) 0.777 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/25920 10.0 329.212 185.020 274.464 0.000 0.000 0.000 3/25920 20.0 82.639 61.924 63.139 0.000 0.000 0.000 3/25920 30.0 38.080 31.891 29.496 0.000 0.000 0.000 3/25920 40.0 23.818 21.092 18.469 0.000 0.000 0.000 3/25920 50.0 17.316 15.753 13.335 0.000 0.000 0.000 3/25920 60.0 13.673 12.579 10.435 0.000 0.000 0.000 3/25920 70.0 11.361 10.469 8.593 0.000 0.000 0.000 3/25920 80.0 9.768 8.963 7.324 0.000 0.000 0.000 3/25920 90.0 8.602 7.832 6.397 0.000 0.000 0.000 3/25920 100.0 7.708 6.951 5.687 0.000 0.000 0.000 3/25920 110.0 6.998 6.248 5.126 0.000 0.000 0.000 3/25920 120.0 6.417 5.672 4.670 0.000 0.000 0.000 3/25920 130.0 5.933 5.194 4.292 0.000 0.000 0.000 3/25920 140.0 5.520 4.790 3.973 0.000 0.000 0.000 3/25920 150.0 5.165 4.445 3.699 0.000 0.000 0.000 3/25920 160.0 4.855 4.147 3.463 0.000 0.000 0.000 3/25920 170.0 4.582 3.887 3.256 0.000 0.000 0.000 3/25920 180.0 4.339 3.658 3.073 0.000 0.000 0.000 3/25920 190.0 4.122 3.455 2.911 0.000 0.000 0.000 3/25920 200.0 3.927 3.273 2.766 0.000 0.000 0.000 3/25920 210.0 3.750 3.110 2.635 0.000 0.000 0.000 3/25920 220.0 3.589 2.963 2.517 0.000 0.000 0.000 3/25920 230.0 3.442 2.830 2.409 0.000 0.000 0.000 3/25920 240.0 3.307 2.708 2.311 0.000 0.000 0.000 3/25920 250.0 3.183 2.596 2.220 0.000 0.000 0.000 3/25920 260.0 3.068 2.494 2.137 0.000 0.000 0.000 3/25920 270.0 2.961 2.399 2.060 0.000 0.000 0.000 3/25920 280.0 2.861 2.312 1.989 0.000 0.000 0.000 3/25920 290.0 2.769 2.230 1.923 0.000 0.000 0.000 3/25920 300.0 2.682 2.154 1.861 0.000 0.000 0.000 3/25920 310.0 2.601 2.084 1.803 0.000 0.000 0.000 3/25920 320.0 2.525 2.018 1.749 0.000 0.000 0.000 3/25920 330.0 2.453 1.956 1.698 0.000 0.000 0.000 3/25920 340.0 2.385 1.897 1.650 0.000 0.000 0.000 3/25920 350.0 2.321 1.843 1.604 0.000 0.000 0.000 3/25920 360.0 2.260 1.791 1.562 0.000 0.000 0.000 3/25920 370.0 2.202 1.742 1.521 0.000 0.000 0.000 3/25920 380.0 2.148 1.696 1.483 0.000 0.000 0.000 3/25920 390.0 2.096 1.652 1.446 0.000 0.000 0.000 3/25920 400.0 2.046 1.610 1.411 0.000 0.000 0.000 3/25920 410.0 1.999 1.571 1.378 0.000 0.000 0.000 3/25920 420.0 1.954 1.533 1.347 0.000 0.000 0.000 3/25920 430.0 1.911 1.497 1.316 0.000 0.000 0.000 3/25920 440.0 1.869 1.463 1.288 0.000 0.000 0.000 3/25920 450.0 1.830 1.430 1.260 0.000 0.000 0.000 3/25920 460.0 1.792 1.399 1.234 0.000 0.000 0.000 3/25920 470.0 1.756 1.369 1.208 0.000 0.000 0.000 3/25920 480.0 1.721 1.341 1.184 0.000 0.000 0.000 3/25920 490.0 1.687 1.313 1.161 0.000 0.000 0.000 3/25920 500.0 1.655 1.287 1.138 0.000 0.000 0.000 3/25920 510.0 1.624 1.261 1.117 0.000 0.000 0.000 3/25920 520.0 1.594 1.237 1.096 0.000 0.000 0.000 3/25920 530.0 1.565 1.214 1.076 0.000 0.000 0.000 3/25920 540.0 1.537 1.191 1.057 0.000 0.000 0.000 3/25920 550.0 1.511 1.169 1.038 0.000 0.000 0.000 3/25920 560.0 1.485 1.148 1.020 0.000 0.000 0.000 3/25920 570.0 1.460 1.128 1.003 0.000 0.000 0.000 3/25920 580.0 1.435 1.109 0.986 0.000 0.000 0.000 3/25920 590.0 1.412 1.090 0.970 0.000 0.000 0.000 3/25920 600.0 1.389 1.072 0.954 0.000 0.000 0.000 3/25920 610.0 1.367 1.054 0.939 0.000 0.000 0.000 3/25920 620.0 1.346 1.037 0.924 0.000 0.000 0.000 3/25920 630.0 1.325 1.021 0.910 0.000 0.000 0.000 3/25920 640.0 1.305 1.005 0.896 0.000 0.000 0.000 3/25920 650.0 1.286 0.989 0.883 0.000 0.000 0.000 3/25920 660.0 1.267 0.974 0.870 0.000 0.000 0.000 3/25920 670.0 1.248 0.960 0.857 0.000 0.000 0.000 3/25920 680.0 1.231 0.945 0.845 0.000 0.000 0.000 3/25920 690.0 1.213 0.932 0.833 0.000 0.000 0.000 3/25920 700.0 1.197 0.918 0.821 0.000 0.000 0.000 3/25920 710.0 1.180 0.906 0.810 0.000 0.000 0.000 3/25920 720.0 1.164 0.893 0.799 0.000 0.000 0.000 3/25920 730.0 1.149 0.881 0.788 0.000 0.000 0.000 3/25920 740.0 1.134 0.869 0.778 0.000 0.000 0.000 3/25920 750.0 1.119 0.857 0.767 0.000 0.000 0.000 3/25920 760.0 1.104 0.846 0.758 0.000 0.000 0.000 3/25920 770.0 1.090 0.835 0.748 0.000 0.000 0.000 3/25920 780.0 1.077 0.824 0.739 0.000 0.000 0.000 3/25920 790.0 1.064 0.814 0.729 0.000 0.000 0.000 3/25920 800.0 1.051 0.804 0.720 0.000 0.000 0.000 3/25920 810.0 1.038 0.794 0.712 0.000 0.000 0.000 3/25920 820.0 1.025 0.784 0.703 0.000 0.000 0.000 3/25920 830.0 1.013 0.775 0.695 0.000 0.000 0.000 3/25920 840.0 1.002 0.765 0.687 0.000 0.000 0.000 3/25920 850.0 0.990 0.756 0.679 0.000 0.000 0.000 3/25920 860.0 0.979 0.747 0.671 0.000 0.000 0.000 3/25920 870.0 0.968 0.739 0.663 0.000 0.000 0.000 3/25920 880.0 0.957 0.730 0.656 0.000 0.000 0.000 3/25920 890.0 0.946 0.722 0.649 0.000 0.000 0.000 3/25920 900.0 0.936 0.714 0.642 0.000 0.000 0.000 3/25920 910.0 0.926 0.706 0.635 0.000 0.000 0.000 3/25920 920.0 0.916 0.699 0.628 0.000 0.000 0.000 3/25920 930.0 0.906 0.691 0.621 0.000 0.000 0.000 3/25920 940.0 0.897 0.684 0.615 0.000 0.000 0.000 3/25920 950.0 0.888 0.677 0.608 0.000 0.000 0.000 3/25920 960.0 0.879 0.670 0.602 0.000 0.000 0.000 3/25920 970.0 0.870 0.663 0.596 0.000 0.000 0.000 3/25920 980.0 0.861 0.656 0.590 0.000 0.000 0.000 3/25920 990.0 0.852 0.649 0.584 0.000 0.000 0.000 3/25920 1000.0 0.844 0.643 0.578 0.000 0.000 0.000 3/25920 Thermal conductivity related properties were written into "kappa-m9410.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 08:52:03]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|