----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 04:38:33]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.424546759999998 0.000000000000000 0.000000000000000 b 0.000000000000000 3.448787899999998 0.000000000000000 c 0.000000000000000 0.000000000000000 6.097575220000000 Atomic positions (fractional): *1 Lu 0.55138152027049 0.25000000000000 0.74977565374857 174.967 2 Lu 0.05138152027049 0.25000000000000 0.75022434625143 174.967 3 Lu 0.94861847972951 0.75000000000000 0.24977565374857 174.967 4 Lu 0.44861847972951 0.75000000000000 0.25022434625143 174.967 *5 H 0.34377168168464 0.25000000000000 0.54359940121894 1.008 *6 H 0.87806331050414 0.75000000000000 0.69072392134574 1.008 7 H 0.37806331050414 0.75000000000000 0.80927607865426 1.008 8 H 0.84377168168464 0.25000000000000 0.95640059878106 1.008 9 H 0.15622831831536 0.75000000000000 0.04359940121894 1.008 10 H 0.62193668949586 0.25000000000000 0.19072392134573 1.008 11 H 0.12193668949586 0.25000000000000 0.30927607865426 1.008 12 H 0.65622831831536 0.75000000000000 0.45640059878106 1.008 *13 Cl 0.21386009805192 0.75000000000000 0.61753709189281 35.453 14 Cl 0.71386009805192 0.75000000000000 0.88246290810719 35.453 15 Cl 0.28613990194807 0.25000000000000 0.11753709189281 35.453 16 Cl 0.78613990194808 0.25000000000000 0.38246290810719 35.453 *17 O 0.58016130071388 0.75000000000000 0.50213597648366 15.999 *18 O 0.95157357866589 0.75000000000000 0.62920363678026 15.999 19 O 0.45157357866589 0.75000000000000 0.87079636321974 15.999 20 O 0.08016130071388 0.75000000000000 0.99786402351634 15.999 21 O 0.91983869928612 0.25000000000000 0.00213597648366 15.999 22 O 0.54842642133411 0.25000000000000 0.12920363678026 15.999 23 O 0.04842642133411 0.25000000000000 0.37079636321974 15.999 24 O 0.41983869928612 0.25000000000000 0.49786402351634 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 12.424546759999998 0.000000000000000 0.000000000000000 b 0.000000000000000 3.448787899999998 0.000000000000000 c 0.000000000000000 0.000000000000000 6.097575220000000 Atomic positions (fractional): *1 Lu 0.55138152027049 0.25000000000000 0.74977565374857 174.967 > 1 2 Lu 0.05138152027049 0.25000000000000 0.75022434625143 174.967 > 2 3 Lu 0.94861847972951 0.75000000000000 0.24977565374857 174.967 > 3 4 Lu 0.44861847972951 0.75000000000000 0.25022434625143 174.967 > 4 *5 H 0.34377168168464 0.25000000000000 0.54359940121894 1.008 > 5 *6 H 0.87806331050414 0.75000000000000 0.69072392134574 1.008 > 6 7 H 0.37806331050414 0.75000000000000 0.80927607865426 1.008 > 7 8 H 0.84377168168464 0.25000000000000 0.95640059878106 1.008 > 8 9 H 0.15622831831536 0.75000000000000 0.04359940121894 1.008 > 9 10 H 0.62193668949586 0.25000000000000 0.19072392134573 1.008 > 10 11 H 0.12193668949586 0.25000000000000 0.30927607865426 1.008 > 11 12 H 0.65622831831536 0.75000000000000 0.45640059878106 1.008 > 12 *13 Cl 0.21386009805192 0.75000000000000 0.61753709189281 35.453 > 13 14 Cl 0.71386009805192 0.75000000000000 0.88246290810719 35.453 > 14 15 Cl 0.28613990194807 0.25000000000000 0.11753709189281 35.453 > 15 16 Cl 0.78613990194808 0.25000000000000 0.38246290810719 35.453 > 16 *17 O 0.58016130071388 0.75000000000000 0.50213597648366 15.999 > 17 *18 O 0.95157357866589 0.75000000000000 0.62920363678026 15.999 > 18 19 O 0.45157357866589 0.75000000000000 0.87079636321974 15.999 > 19 20 O 0.08016130071388 0.75000000000000 0.99786402351634 15.999 > 20 21 O 0.91983869928612 0.25000000000000 0.00213597648366 15.999 > 21 22 O 0.54842642133411 0.25000000000000 0.12920363678026 15.999 > 22 23 O 0.04842642133411 0.25000000000000 0.37079636321974 15.999 > 23 24 O 0.41983869928612 0.25000000000000 0.49786402351634 15.999 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.424546759999998 0.000000000000000 0.000000000000000 b 0.000000000000000 10.346363699999994 0.000000000000000 c 0.000000000000000 0.000000000000000 12.195150440000001 Atomic positions (fractional): *1 Lu 0.55138152027049 0.08333333333333 0.37488782687428 174.967 > 1 2 Lu 0.55138152027049 0.41666666666667 0.37488782687428 174.967 > 1 3 Lu 0.55138152027049 0.75000000000000 0.37488782687428 174.967 > 1 4 Lu 0.55138152027049 0.08333333333333 0.87488782687428 174.967 > 1 5 Lu 0.55138152027049 0.41666666666667 0.87488782687428 174.967 > 1 6 Lu 0.55138152027049 0.75000000000000 0.87488782687428 174.967 > 1 7 Lu 0.05138152027049 0.08333333333333 0.37511217312572 174.967 > 2 8 Lu 0.05138152027049 0.41666666666667 0.37511217312572 174.967 > 2 9 Lu 0.05138152027049 0.75000000000000 0.37511217312572 174.967 > 2 10 Lu 0.05138152027049 0.08333333333333 0.87511217312572 174.967 > 2 11 Lu 0.05138152027049 0.41666666666667 0.87511217312572 174.967 > 2 12 Lu 0.05138152027049 0.75000000000000 0.87511217312572 174.967 > 2 13 Lu 0.94861847972951 0.25000000000000 0.12488782687428 174.967 > 3 14 Lu 0.94861847972951 0.58333333333333 0.12488782687428 174.967 > 3 15 Lu 0.94861847972951 0.91666666666667 0.12488782687428 174.967 > 3 16 Lu 0.94861847972951 0.25000000000000 0.62488782687428 174.967 > 3 17 Lu 0.94861847972951 0.58333333333333 0.62488782687428 174.967 > 3 18 Lu 0.94861847972951 0.91666666666667 0.62488782687428 174.967 > 3 19 Lu 0.44861847972951 0.25000000000000 0.12511217312572 174.967 > 4 20 Lu 0.44861847972951 0.58333333333333 0.12511217312572 174.967 > 4 21 Lu 0.44861847972951 0.91666666666667 0.12511217312572 174.967 > 4 22 Lu 0.44861847972951 0.25000000000000 0.62511217312572 174.967 > 4 23 Lu 0.44861847972951 0.58333333333333 0.62511217312572 174.967 > 4 24 Lu 0.44861847972951 0.91666666666667 0.62511217312572 174.967 > 4 *25 H 0.34377168168464 0.08333333333333 0.27179970060947 1.008 > 5 26 H 0.34377168168464 0.41666666666667 0.27179970060947 1.008 > 5 27 H 0.34377168168464 0.75000000000000 0.27179970060947 1.008 > 5 28 H 0.34377168168464 0.08333333333333 0.77179970060947 1.008 > 5 29 H 0.34377168168464 0.41666666666667 0.77179970060947 1.008 > 5 30 H 0.34377168168464 0.75000000000000 0.77179970060947 1.008 > 5 *31 H 0.87806331050414 0.25000000000000 0.34536196067287 1.008 > 6 32 H 0.87806331050414 0.58333333333333 0.34536196067287 1.008 > 6 33 H 0.87806331050414 0.91666666666667 0.34536196067287 1.008 > 6 34 H 0.87806331050414 0.25000000000000 0.84536196067287 1.008 > 6 35 H 0.87806331050414 0.58333333333333 0.84536196067287 1.008 > 6 36 H 0.87806331050414 0.91666666666667 0.84536196067287 1.008 > 6 37 H 0.37806331050414 0.25000000000000 0.40463803932713 1.008 > 7 38 H 0.37806331050414 0.58333333333333 0.40463803932713 1.008 > 7 39 H 0.37806331050414 0.91666666666667 0.40463803932713 1.008 > 7 40 H 0.37806331050414 0.25000000000000 0.90463803932713 1.008 > 7 41 H 0.37806331050414 0.58333333333333 0.90463803932713 1.008 > 7 42 H 0.37806331050414 0.91666666666667 0.90463803932713 1.008 > 7 43 H 0.84377168168464 0.08333333333333 0.47820029939053 1.008 > 8 44 H 0.84377168168464 0.41666666666667 0.47820029939053 1.008 > 8 45 H 0.84377168168464 0.75000000000000 0.47820029939053 1.008 > 8 46 H 0.84377168168464 0.08333333333333 0.97820029939053 1.008 > 8 47 H 0.84377168168464 0.41666666666667 0.97820029939053 1.008 > 8 48 H 0.84377168168464 0.75000000000000 0.97820029939053 1.008 > 8 49 H 0.15622831831536 0.25000000000000 0.02179970060947 1.008 > 9 50 H 0.15622831831536 0.58333333333333 0.02179970060947 1.008 > 9 51 H 0.15622831831536 0.91666666666667 0.02179970060947 1.008 > 9 52 H 0.15622831831536 0.25000000000000 0.52179970060947 1.008 > 9 53 H 0.15622831831536 0.58333333333333 0.52179970060947 1.008 > 9 54 H 0.15622831831536 0.91666666666667 0.52179970060947 1.008 > 9 55 H 0.62193668949586 0.08333333333333 0.09536196067287 1.008 > 10 56 H 0.62193668949586 0.41666666666667 0.09536196067287 1.008 > 10 57 H 0.62193668949586 0.75000000000000 0.09536196067287 1.008 > 10 58 H 0.62193668949586 0.08333333333333 0.59536196067287 1.008 > 10 59 H 0.62193668949586 0.41666666666667 0.59536196067287 1.008 > 10 60 H 0.62193668949586 0.75000000000000 0.59536196067287 1.008 > 10 61 H 0.12193668949586 0.08333333333333 0.15463803932713 1.008 > 11 62 H 0.12193668949586 0.41666666666667 0.15463803932713 1.008 > 11 63 H 0.12193668949586 0.75000000000000 0.15463803932713 1.008 > 11 64 H 0.12193668949586 0.08333333333333 0.65463803932713 1.008 > 11 65 H 0.12193668949586 0.41666666666667 0.65463803932713 1.008 > 11 66 H 0.12193668949586 0.75000000000000 0.65463803932713 1.008 > 11 67 H 0.65622831831536 0.25000000000000 0.22820029939053 1.008 > 12 68 H 0.65622831831536 0.58333333333333 0.22820029939053 1.008 > 12 69 H 0.65622831831536 0.91666666666667 0.22820029939053 1.008 > 12 70 H 0.65622831831536 0.25000000000000 0.72820029939053 1.008 > 12 71 H 0.65622831831536 0.58333333333333 0.72820029939053 1.008 > 12 72 H 0.65622831831536 0.91666666666667 0.72820029939053 1.008 > 12 *73 Cl 0.21386009805192 0.25000000000000 0.30876854594641 35.453 > 13 74 Cl 0.21386009805192 0.58333333333333 0.30876854594641 35.453 > 13 75 Cl 0.21386009805192 0.91666666666667 0.30876854594641 35.453 > 13 76 Cl 0.21386009805192 0.25000000000000 0.80876854594641 35.453 > 13 77 Cl 0.21386009805192 0.58333333333333 0.80876854594641 35.453 > 13 78 Cl 0.21386009805192 0.91666666666667 0.80876854594641 35.453 > 13 79 Cl 0.71386009805192 0.25000000000000 0.44123145405359 35.453 > 14 80 Cl 0.71386009805192 0.58333333333333 0.44123145405359 35.453 > 14 81 Cl 0.71386009805192 0.91666666666667 0.44123145405359 35.453 > 14 82 Cl 0.71386009805192 0.25000000000000 0.94123145405359 35.453 > 14 83 Cl 0.71386009805192 0.58333333333333 0.94123145405359 35.453 > 14 84 Cl 0.71386009805192 0.91666666666667 0.94123145405359 35.453 > 14 85 Cl 0.28613990194807 0.08333333333333 0.05876854594641 35.453 > 15 86 Cl 0.28613990194807 0.41666666666667 0.05876854594641 35.453 > 15 87 Cl 0.28613990194807 0.75000000000000 0.05876854594641 35.453 > 15 88 Cl 0.28613990194807 0.08333333333333 0.55876854594641 35.453 > 15 89 Cl 0.28613990194807 0.41666666666667 0.55876854594641 35.453 > 15 90 Cl 0.28613990194807 0.75000000000000 0.55876854594641 35.453 > 15 91 Cl 0.78613990194808 0.08333333333333 0.19123145405359 35.453 > 16 92 Cl 0.78613990194808 0.41666666666667 0.19123145405359 35.453 > 16 93 Cl 0.78613990194808 0.75000000000000 0.19123145405359 35.453 > 16 94 Cl 0.78613990194808 0.08333333333333 0.69123145405359 35.453 > 16 95 Cl 0.78613990194808 0.41666666666667 0.69123145405359 35.453 > 16 96 Cl 0.78613990194808 0.75000000000000 0.69123145405359 35.453 > 16 *97 O 0.58016130071388 0.25000000000000 0.25106798824183 15.999 > 17 98 O 0.58016130071388 0.58333333333333 0.25106798824183 15.999 > 17 99 O 0.58016130071388 0.91666666666667 0.25106798824183 15.999 > 17 100 O 0.58016130071388 0.25000000000000 0.75106798824183 15.999 > 17 101 O 0.58016130071388 0.58333333333333 0.75106798824183 15.999 > 17 102 O 0.58016130071388 0.91666666666667 0.75106798824183 15.999 > 17 *103 O 0.95157357866589 0.25000000000000 0.31460181839013 15.999 > 18 104 O 0.95157357866589 0.58333333333333 0.31460181839013 15.999 > 18 105 O 0.95157357866589 0.91666666666667 0.31460181839013 15.999 > 18 106 O 0.95157357866589 0.25000000000000 0.81460181839013 15.999 > 18 107 O 0.95157357866589 0.58333333333333 0.81460181839013 15.999 > 18 108 O 0.95157357866589 0.91666666666667 0.81460181839013 15.999 > 18 109 O 0.45157357866589 0.25000000000000 0.43539818160987 15.999 > 19 110 O 0.45157357866589 0.58333333333333 0.43539818160987 15.999 > 19 111 O 0.45157357866589 0.91666666666667 0.43539818160987 15.999 > 19 112 O 0.45157357866589 0.25000000000000 0.93539818160987 15.999 > 19 113 O 0.45157357866589 0.58333333333333 0.93539818160987 15.999 > 19 114 O 0.45157357866589 0.91666666666667 0.93539818160987 15.999 > 19 115 O 0.08016130071388 0.25000000000000 0.49893201175817 15.999 > 20 116 O 0.08016130071388 0.58333333333333 0.49893201175817 15.999 > 20 117 O 0.08016130071388 0.91666666666667 0.49893201175817 15.999 > 20 118 O 0.08016130071388 0.25000000000000 0.99893201175817 15.999 > 20 119 O 0.08016130071388 0.58333333333333 0.99893201175817 15.999 > 20 120 O 0.08016130071388 0.91666666666667 0.99893201175817 15.999 > 20 121 O 0.91983869928612 0.08333333333333 0.00106798824183 15.999 > 21 122 O 0.91983869928612 0.41666666666667 0.00106798824183 15.999 > 21 123 O 0.91983869928612 0.75000000000000 0.00106798824183 15.999 > 21 124 O 0.91983869928612 0.08333333333333 0.50106798824183 15.999 > 21 125 O 0.91983869928612 0.41666666666667 0.50106798824183 15.999 > 21 126 O 0.91983869928612 0.75000000000000 0.50106798824183 15.999 > 21 127 O 0.54842642133411 0.08333333333333 0.06460181839013 15.999 > 22 128 O 0.54842642133411 0.41666666666667 0.06460181839013 15.999 > 22 129 O 0.54842642133411 0.75000000000000 0.06460181839013 15.999 > 22 130 O 0.54842642133411 0.08333333333333 0.56460181839013 15.999 > 22 131 O 0.54842642133411 0.41666666666667 0.56460181839013 15.999 > 22 132 O 0.54842642133411 0.75000000000000 0.56460181839013 15.999 > 22 133 O 0.04842642133411 0.08333333333333 0.18539818160987 15.999 > 23 134 O 0.04842642133411 0.41666666666667 0.18539818160987 15.999 > 23 135 O 0.04842642133411 0.75000000000000 0.18539818160987 15.999 > 23 136 O 0.04842642133411 0.08333333333333 0.68539818160987 15.999 > 23 137 O 0.04842642133411 0.41666666666667 0.68539818160987 15.999 > 23 138 O 0.04842642133411 0.75000000000000 0.68539818160987 15.999 > 23 139 O 0.41983869928612 0.08333333333333 0.24893201175817 15.999 > 24 140 O 0.41983869928612 0.41666666666667 0.24893201175817 15.999 > 24 141 O 0.41983869928612 0.75000000000000 0.24893201175817 15.999 > 24 142 O 0.41983869928612 0.08333333333333 0.74893201175817 15.999 > 24 143 O 0.41983869928612 0.41666666666667 0.74893201175817 15.999 > 24 144 O 0.41983869928612 0.75000000000000 0.74893201175817 15.999 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.6841011 0.0000000 0.0000000 0.0000000 3.6976423 0.0000000 0.0000000 0.0000000 3.4532030 -------------------------- Born effective charges -------------------------- 1 Lu 3.4549837 0.0000000 0.1402951 0.0000000 3.9622375 0.0000000 0.0156489 0.0000000 3.5897825 2 Lu 3.4549837 0.0000000 -0.1402951 0.0000000 3.9622375 0.0000000 -0.0156489 0.0000000 3.5897825 3 Lu 3.4549837 0.0000000 -0.1402951 0.0000000 3.9622375 0.0000000 -0.0156489 0.0000000 3.5897825 4 Lu 3.4549837 0.0000000 0.1402951 0.0000000 3.9622375 0.0000000 0.0156489 0.0000000 3.5897825 5 H 0.6701892 0.0000000 -0.0879291 0.0000000 0.6065814 0.0000000 -0.1275332 0.0000000 0.3885290 6 H 0.8150236 0.0000000 -0.2042355 0.0000000 0.3895873 0.0000000 -0.1274657 0.0000000 0.5227265 7 H 0.8150236 0.0000000 0.2042355 0.0000000 0.3895873 0.0000000 0.1274657 0.0000000 0.5227265 8 H 0.6701892 0.0000000 0.0879291 0.0000000 0.6065814 0.0000000 0.1275332 0.0000000 0.3885290 9 H 0.6701892 0.0000000 0.0879291 0.0000000 0.6065814 0.0000000 0.1275332 0.0000000 0.3885290 10 H 0.8150236 0.0000000 0.2042355 0.0000000 0.3895873 0.0000000 0.1274657 0.0000000 0.5227265 11 H 0.8150236 0.0000000 -0.2042355 0.0000000 0.3895873 0.0000000 -0.1274657 0.0000000 0.5227265 12 H 0.6701892 0.0000000 -0.0879291 0.0000000 0.6065814 0.0000000 -0.1275332 0.0000000 0.3885290 13 Cl -1.5554373 0.0000000 0.1769120 0.0000000 -1.3788151 0.0000000 0.1818002 0.0000000 -0.8729436 14 Cl -1.5554373 0.0000000 -0.1769120 0.0000000 -1.3788151 0.0000000 -0.1818002 0.0000000 -0.8729436 15 Cl -1.5554373 0.0000000 -0.1769120 0.0000000 -1.3788151 0.0000000 -0.1818002 0.0000000 -0.8729436 16 Cl -1.5554373 0.0000000 0.1769120 0.0000000 -1.3788151 0.0000000 0.1818002 0.0000000 -0.8729436 17 O -1.6959592 0.0000000 -0.2469643 0.0000000 -1.6871508 0.0000000 -0.1770791 0.0000000 -1.8842215 18 O -1.6887999 0.0000000 -0.2088229 0.0000000 -1.8924402 0.0000000 -0.2971285 0.0000000 -1.7438728 19 O -1.6887999 0.0000000 0.2088229 0.0000000 -1.8924402 0.0000000 0.2971285 0.0000000 -1.7438728 20 O -1.6959592 0.0000000 0.2469643 0.0000000 -1.6871508 0.0000000 0.1770791 0.0000000 -1.8842215 21 O -1.6959592 0.0000000 0.2469643 0.0000000 -1.6871508 0.0000000 0.1770791 0.0000000 -1.8842215 22 O -1.6887999 0.0000000 0.2088229 0.0000000 -1.8924402 0.0000000 0.2971285 0.0000000 -1.7438728 23 O -1.6887999 0.0000000 -0.2088229 0.0000000 -1.8924402 0.0000000 -0.2971285 0.0000000 -1.7438728 24 O -1.6959592 0.0000000 -0.2469643 0.0000000 -1.6871508 0.0000000 -0.1770791 0.0000000 -1.8842215 ---------------------------------------------------------------------------- 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: 2124 Number of blocks in projector: 2124 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: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 238 eigenvectors found. (2) Block: 576 / 576 (2) 64 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 288 Use standard eigh solver. Tree of FC basis block matrices: - (2124, 2094), data: False |-- (288, 288), data: True |-- (288, 288), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 24), data: (576, 36) @ (36, 24) |-- (76, 64), data: True |-- (250, 238), data: True |-- (250, 238), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 400 - Time: 0.800 Solver_block: 200 / 400 - Time: 0.757 Solver_block: 300 / 400 - Time: 0.759 Solver_block: 400 / 400 - Time: 0.757 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.149 --------------------------------- 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: 2124 Number of blocks in projector: 2124 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: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 238 eigenvectors found. (2) Block: 576 / 576 (2) 64 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 288 Use standard eigh solver. Tree of FC basis block matrices: - (2124, 2094), data: False |-- (288, 288), data: True |-- (288, 288), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 24), data: (576, 36) @ (36, 24) |-- (76, 64), data: True |-- (250, 238), data: True |-- (250, 238), 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 2026-01-09 04:38:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 04:38:59]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.424546759999998 0.000000000000000 0.000000000000000 b 0.000000000000000 3.448787899999998 0.000000000000000 c 0.000000000000000 0.000000000000000 6.097575220000000 Atomic positions (fractional): 1 Lu 0.55138152027049 0.25000000000000 0.74977565374857 174.967 2 Lu 0.05138152027049 0.25000000000000 0.75022434625143 174.967 3 Lu 0.94861847972951 0.75000000000000 0.24977565374857 174.967 4 Lu 0.44861847972951 0.75000000000000 0.25022434625143 174.967 5 H 0.34377168168464 0.25000000000000 0.54359940121894 1.008 6 H 0.87806331050414 0.75000000000000 0.69072392134574 1.008 7 H 0.37806331050414 0.75000000000000 0.80927607865426 1.008 8 H 0.84377168168464 0.25000000000000 0.95640059878106 1.008 9 H 0.15622831831536 0.75000000000000 0.04359940121894 1.008 10 H 0.62193668949586 0.25000000000000 0.19072392134573 1.008 11 H 0.12193668949586 0.25000000000000 0.30927607865426 1.008 12 H 0.65622831831536 0.75000000000000 0.45640059878106 1.008 13 Cl 0.21386009805192 0.75000000000000 0.61753709189281 35.453 14 Cl 0.71386009805192 0.75000000000000 0.88246290810719 35.453 15 Cl 0.28613990194807 0.25000000000000 0.11753709189281 35.453 16 Cl 0.78613990194808 0.25000000000000 0.38246290810719 35.453 17 O 0.58016130071388 0.75000000000000 0.50213597648366 15.999 18 O 0.95157357866589 0.75000000000000 0.62920363678026 15.999 19 O 0.45157357866589 0.75000000000000 0.87079636321974 15.999 20 O 0.08016130071388 0.75000000000000 0.99786402351634 15.999 21 O 0.91983869928612 0.25000000000000 0.00213597648366 15.999 22 O 0.54842642133411 0.25000000000000 0.12920363678026 15.999 23 O 0.04842642133411 0.25000000000000 0.37079636321974 15.999 24 O 0.41983869928612 0.25000000000000 0.49786402351634 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.424546759999998 0.000000000000000 0.000000000000000 b 0.000000000000000 10.346363699999994 0.000000000000000 c 0.000000000000000 0.000000000000000 12.195150440000001 Atomic positions (fractional): 1 Lu 0.55138152027049 0.08333333333333 0.37488782687428 174.967 > 1 2 Lu 0.55138152027049 0.41666666666667 0.37488782687428 174.967 > 1 3 Lu 0.55138152027049 0.75000000000000 0.37488782687428 174.967 > 1 4 Lu 0.55138152027049 0.08333333333333 0.87488782687428 174.967 > 1 5 Lu 0.55138152027049 0.41666666666667 0.87488782687428 174.967 > 1 6 Lu 0.55138152027049 0.75000000000000 0.87488782687428 174.967 > 1 7 Lu 0.05138152027049 0.08333333333333 0.37511217312572 174.967 > 7 8 Lu 0.05138152027049 0.41666666666667 0.37511217312572 174.967 > 7 9 Lu 0.05138152027049 0.75000000000000 0.37511217312572 174.967 > 7 10 Lu 0.05138152027049 0.08333333333333 0.87511217312572 174.967 > 7 11 Lu 0.05138152027049 0.41666666666667 0.87511217312572 174.967 > 7 12 Lu 0.05138152027049 0.75000000000000 0.87511217312572 174.967 > 7 13 Lu 0.94861847972951 0.25000000000000 0.12488782687428 174.967 > 13 14 Lu 0.94861847972951 0.58333333333333 0.12488782687428 174.967 > 13 15 Lu 0.94861847972951 0.91666666666667 0.12488782687428 174.967 > 13 16 Lu 0.94861847972951 0.25000000000000 0.62488782687428 174.967 > 13 17 Lu 0.94861847972951 0.58333333333333 0.62488782687428 174.967 > 13 18 Lu 0.94861847972951 0.91666666666667 0.62488782687428 174.967 > 13 19 Lu 0.44861847972951 0.25000000000000 0.12511217312572 174.967 > 19 20 Lu 0.44861847972951 0.58333333333333 0.12511217312572 174.967 > 19 21 Lu 0.44861847972951 0.91666666666667 0.12511217312572 174.967 > 19 22 Lu 0.44861847972951 0.25000000000000 0.62511217312572 174.967 > 19 23 Lu 0.44861847972951 0.58333333333333 0.62511217312572 174.967 > 19 24 Lu 0.44861847972951 0.91666666666667 0.62511217312572 174.967 > 19 25 H 0.34377168168464 0.08333333333333 0.27179970060947 1.008 > 25 26 H 0.34377168168464 0.41666666666667 0.27179970060947 1.008 > 25 27 H 0.34377168168464 0.75000000000000 0.27179970060947 1.008 > 25 28 H 0.34377168168464 0.08333333333333 0.77179970060947 1.008 > 25 29 H 0.34377168168464 0.41666666666667 0.77179970060947 1.008 > 25 30 H 0.34377168168464 0.75000000000000 0.77179970060947 1.008 > 25 31 H 0.87806331050414 0.25000000000000 0.34536196067287 1.008 > 31 32 H 0.87806331050414 0.58333333333333 0.34536196067287 1.008 > 31 33 H 0.87806331050414 0.91666666666667 0.34536196067287 1.008 > 31 34 H 0.87806331050414 0.25000000000000 0.84536196067287 1.008 > 31 35 H 0.87806331050414 0.58333333333333 0.84536196067287 1.008 > 31 36 H 0.87806331050414 0.91666666666667 0.84536196067287 1.008 > 31 37 H 0.37806331050414 0.25000000000000 0.40463803932713 1.008 > 37 38 H 0.37806331050414 0.58333333333333 0.40463803932713 1.008 > 37 39 H 0.37806331050414 0.91666666666667 0.40463803932713 1.008 > 37 40 H 0.37806331050414 0.25000000000000 0.90463803932713 1.008 > 37 41 H 0.37806331050414 0.58333333333333 0.90463803932713 1.008 > 37 42 H 0.37806331050414 0.91666666666667 0.90463803932713 1.008 > 37 43 H 0.84377168168464 0.08333333333333 0.47820029939053 1.008 > 43 44 H 0.84377168168464 0.41666666666667 0.47820029939053 1.008 > 43 45 H 0.84377168168464 0.75000000000000 0.47820029939053 1.008 > 43 46 H 0.84377168168464 0.08333333333333 0.97820029939053 1.008 > 43 47 H 0.84377168168464 0.41666666666667 0.97820029939053 1.008 > 43 48 H 0.84377168168464 0.75000000000000 0.97820029939053 1.008 > 43 49 H 0.15622831831536 0.25000000000000 0.02179970060947 1.008 > 49 50 H 0.15622831831536 0.58333333333333 0.02179970060947 1.008 > 49 51 H 0.15622831831536 0.91666666666667 0.02179970060947 1.008 > 49 52 H 0.15622831831536 0.25000000000000 0.52179970060947 1.008 > 49 53 H 0.15622831831536 0.58333333333333 0.52179970060947 1.008 > 49 54 H 0.15622831831536 0.91666666666667 0.52179970060947 1.008 > 49 55 H 0.62193668949586 0.08333333333333 0.09536196067287 1.008 > 55 56 H 0.62193668949586 0.41666666666667 0.09536196067287 1.008 > 55 57 H 0.62193668949586 0.75000000000000 0.09536196067287 1.008 > 55 58 H 0.62193668949586 0.08333333333333 0.59536196067287 1.008 > 55 59 H 0.62193668949586 0.41666666666667 0.59536196067287 1.008 > 55 60 H 0.62193668949586 0.75000000000000 0.59536196067287 1.008 > 55 61 H 0.12193668949586 0.08333333333333 0.15463803932713 1.008 > 61 62 H 0.12193668949586 0.41666666666667 0.15463803932713 1.008 > 61 63 H 0.12193668949586 0.75000000000000 0.15463803932713 1.008 > 61 64 H 0.12193668949586 0.08333333333333 0.65463803932713 1.008 > 61 65 H 0.12193668949586 0.41666666666667 0.65463803932713 1.008 > 61 66 H 0.12193668949586 0.75000000000000 0.65463803932713 1.008 > 61 67 H 0.65622831831536 0.25000000000000 0.22820029939053 1.008 > 67 68 H 0.65622831831536 0.58333333333333 0.22820029939053 1.008 > 67 69 H 0.65622831831536 0.91666666666667 0.22820029939053 1.008 > 67 70 H 0.65622831831536 0.25000000000000 0.72820029939053 1.008 > 67 71 H 0.65622831831536 0.58333333333333 0.72820029939053 1.008 > 67 72 H 0.65622831831536 0.91666666666667 0.72820029939053 1.008 > 67 73 Cl 0.21386009805192 0.25000000000000 0.30876854594641 35.453 > 73 74 Cl 0.21386009805192 0.58333333333333 0.30876854594641 35.453 > 73 75 Cl 0.21386009805192 0.91666666666667 0.30876854594641 35.453 > 73 76 Cl 0.21386009805192 0.25000000000000 0.80876854594641 35.453 > 73 77 Cl 0.21386009805192 0.58333333333333 0.80876854594641 35.453 > 73 78 Cl 0.21386009805192 0.91666666666667 0.80876854594641 35.453 > 73 79 Cl 0.71386009805192 0.25000000000000 0.44123145405359 35.453 > 79 80 Cl 0.71386009805192 0.58333333333333 0.44123145405359 35.453 > 79 81 Cl 0.71386009805192 0.91666666666667 0.44123145405359 35.453 > 79 82 Cl 0.71386009805192 0.25000000000000 0.94123145405359 35.453 > 79 83 Cl 0.71386009805192 0.58333333333333 0.94123145405359 35.453 > 79 84 Cl 0.71386009805192 0.91666666666667 0.94123145405359 35.453 > 79 85 Cl 0.28613990194807 0.08333333333333 0.05876854594641 35.453 > 85 86 Cl 0.28613990194807 0.41666666666667 0.05876854594641 35.453 > 85 87 Cl 0.28613990194807 0.75000000000000 0.05876854594641 35.453 > 85 88 Cl 0.28613990194807 0.08333333333333 0.55876854594641 35.453 > 85 89 Cl 0.28613990194807 0.41666666666667 0.55876854594641 35.453 > 85 90 Cl 0.28613990194807 0.75000000000000 0.55876854594641 35.453 > 85 91 Cl 0.78613990194808 0.08333333333333 0.19123145405359 35.453 > 91 92 Cl 0.78613990194808 0.41666666666667 0.19123145405359 35.453 > 91 93 Cl 0.78613990194808 0.75000000000000 0.19123145405359 35.453 > 91 94 Cl 0.78613990194808 0.08333333333333 0.69123145405359 35.453 > 91 95 Cl 0.78613990194808 0.41666666666667 0.69123145405359 35.453 > 91 96 Cl 0.78613990194808 0.75000000000000 0.69123145405359 35.453 > 91 97 O 0.58016130071388 0.25000000000000 0.25106798824183 15.999 > 97 98 O 0.58016130071388 0.58333333333333 0.25106798824183 15.999 > 97 99 O 0.58016130071388 0.91666666666667 0.25106798824183 15.999 > 97 100 O 0.58016130071388 0.25000000000000 0.75106798824183 15.999 > 97 101 O 0.58016130071388 0.58333333333333 0.75106798824183 15.999 > 97 102 O 0.58016130071388 0.91666666666667 0.75106798824183 15.999 > 97 103 O 0.95157357866589 0.25000000000000 0.31460181839013 15.999 > 103 104 O 0.95157357866589 0.58333333333333 0.31460181839013 15.999 > 103 105 O 0.95157357866589 0.91666666666667 0.31460181839013 15.999 > 103 106 O 0.95157357866589 0.25000000000000 0.81460181839013 15.999 > 103 107 O 0.95157357866589 0.58333333333333 0.81460181839013 15.999 > 103 108 O 0.95157357866589 0.91666666666667 0.81460181839013 15.999 > 103 109 O 0.45157357866589 0.25000000000000 0.43539818160987 15.999 > 109 110 O 0.45157357866589 0.58333333333333 0.43539818160987 15.999 > 109 111 O 0.45157357866589 0.91666666666667 0.43539818160987 15.999 > 109 112 O 0.45157357866589 0.25000000000000 0.93539818160987 15.999 > 109 113 O 0.45157357866589 0.58333333333333 0.93539818160987 15.999 > 109 114 O 0.45157357866589 0.91666666666667 0.93539818160987 15.999 > 109 115 O 0.08016130071388 0.25000000000000 0.49893201175817 15.999 > 115 116 O 0.08016130071388 0.58333333333333 0.49893201175817 15.999 > 115 117 O 0.08016130071388 0.91666666666667 0.49893201175817 15.999 > 115 118 O 0.08016130071388 0.25000000000000 0.99893201175817 15.999 > 115 119 O 0.08016130071388 0.58333333333333 0.99893201175817 15.999 > 115 120 O 0.08016130071388 0.91666666666667 0.99893201175817 15.999 > 115 121 O 0.91983869928612 0.08333333333333 0.00106798824183 15.999 > 121 122 O 0.91983869928612 0.41666666666667 0.00106798824183 15.999 > 121 123 O 0.91983869928612 0.75000000000000 0.00106798824183 15.999 > 121 124 O 0.91983869928612 0.08333333333333 0.50106798824183 15.999 > 121 125 O 0.91983869928612 0.41666666666667 0.50106798824183 15.999 > 121 126 O 0.91983869928612 0.75000000000000 0.50106798824183 15.999 > 121 127 O 0.54842642133411 0.08333333333333 0.06460181839013 15.999 > 127 128 O 0.54842642133411 0.41666666666667 0.06460181839013 15.999 > 127 129 O 0.54842642133411 0.75000000000000 0.06460181839013 15.999 > 127 130 O 0.54842642133411 0.08333333333333 0.56460181839013 15.999 > 127 131 O 0.54842642133411 0.41666666666667 0.56460181839013 15.999 > 127 132 O 0.54842642133411 0.75000000000000 0.56460181839013 15.999 > 127 133 O 0.04842642133411 0.08333333333333 0.18539818160987 15.999 > 133 134 O 0.04842642133411 0.41666666666667 0.18539818160987 15.999 > 133 135 O 0.04842642133411 0.75000000000000 0.18539818160987 15.999 > 133 136 O 0.04842642133411 0.08333333333333 0.68539818160987 15.999 > 133 137 O 0.04842642133411 0.41666666666667 0.68539818160987 15.999 > 133 138 O 0.04842642133411 0.75000000000000 0.68539818160987 15.999 > 133 139 O 0.41983869928612 0.08333333333333 0.24893201175817 15.999 > 139 140 O 0.41983869928612 0.41666666666667 0.24893201175817 15.999 > 139 141 O 0.41983869928612 0.75000000000000 0.24893201175817 15.999 > 139 142 O 0.41983869928612 0.08333333333333 0.74893201175817 15.999 > 139 143 O 0.41983869928612 0.41666666666667 0.74893201175817 15.999 > 139 144 O 0.41983869928612 0.75000000000000 0.74893201175817 15.999 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.6841011 0.0000000 0.0000000 0.0000000 3.6976423 0.0000000 0.0000000 0.0000000 3.4532030 -------------------------- Born effective charges -------------------------- 1 Lu 3.4549837 0.0000000 0.1402951 0.0000000 3.9622375 0.0000000 0.0156489 0.0000000 3.5897825 2 Lu 3.4549837 0.0000000 -0.1402951 0.0000000 3.9622375 0.0000000 -0.0156489 0.0000000 3.5897825 3 Lu 3.4549837 0.0000000 -0.1402951 0.0000000 3.9622375 0.0000000 -0.0156489 0.0000000 3.5897825 4 Lu 3.4549837 0.0000000 0.1402951 0.0000000 3.9622375 0.0000000 0.0156489 0.0000000 3.5897825 5 H 0.6701892 0.0000000 -0.0879291 0.0000000 0.6065814 0.0000000 -0.1275332 0.0000000 0.3885290 6 H 0.8150236 0.0000000 -0.2042355 0.0000000 0.3895873 0.0000000 -0.1274657 0.0000000 0.5227265 7 H 0.8150236 0.0000000 0.2042355 0.0000000 0.3895873 0.0000000 0.1274657 0.0000000 0.5227265 8 H 0.6701892 0.0000000 0.0879291 0.0000000 0.6065814 0.0000000 0.1275332 0.0000000 0.3885290 9 H 0.6701892 0.0000000 0.0879291 0.0000000 0.6065814 0.0000000 0.1275332 0.0000000 0.3885290 10 H 0.8150236 0.0000000 0.2042355 0.0000000 0.3895873 0.0000000 0.1274657 0.0000000 0.5227265 11 H 0.8150236 0.0000000 -0.2042355 0.0000000 0.3895873 0.0000000 -0.1274657 0.0000000 0.5227265 12 H 0.6701892 0.0000000 -0.0879291 0.0000000 0.6065814 0.0000000 -0.1275332 0.0000000 0.3885290 13 Cl -1.5554373 0.0000000 0.1769120 0.0000000 -1.3788151 0.0000000 0.1818002 0.0000000 -0.8729436 14 Cl -1.5554373 0.0000000 -0.1769120 0.0000000 -1.3788151 0.0000000 -0.1818002 0.0000000 -0.8729436 15 Cl -1.5554373 0.0000000 -0.1769120 0.0000000 -1.3788151 0.0000000 -0.1818002 0.0000000 -0.8729436 16 Cl -1.5554373 0.0000000 0.1769120 0.0000000 -1.3788151 0.0000000 0.1818002 0.0000000 -0.8729436 17 O -1.6959592 0.0000000 -0.2469643 0.0000000 -1.6871508 0.0000000 -0.1770791 0.0000000 -1.8842215 18 O -1.6887999 0.0000000 -0.2088229 0.0000000 -1.8924402 0.0000000 -0.2971285 0.0000000 -1.7438728 19 O -1.6887999 0.0000000 0.2088229 0.0000000 -1.8924402 0.0000000 0.2971285 0.0000000 -1.7438728 20 O -1.6959592 0.0000000 0.2469643 0.0000000 -1.6871508 0.0000000 0.1770791 0.0000000 -1.8842215 21 O -1.6959592 0.0000000 0.2469643 0.0000000 -1.6871508 0.0000000 0.1770791 0.0000000 -1.8842215 22 O -1.6887999 0.0000000 0.2088229 0.0000000 -1.8924402 0.0000000 0.2971285 0.0000000 -1.7438728 23 O -1.6887999 0.0000000 -0.2088229 0.0000000 -1.8924402 0.0000000 -0.2971285 0.0000000 -1.7438728 24 O -1.6959592 0.0000000 -0.2469643 0.0000000 -1.6871508 0.0000000 -0.1770791 0.0000000 -1.8842215 ---------------------------------------------------------------------------- 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[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 31, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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[ 103, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zx) 0.00000000 (zx) 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 2026-01-09 04:39:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 04:39:31]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.424546759999998 0.000000000000000 0.000000000000000 b 0.000000000000000 3.448787899999998 0.000000000000000 c 0.000000000000000 0.000000000000000 6.097575220000000 Atomic positions (fractional): 1 Lu 0.55138152027049 0.25000000000000 0.74977565374857 174.967 2 Lu 0.05138152027049 0.25000000000000 0.75022434625143 174.967 3 Lu 0.94861847972951 0.75000000000000 0.24977565374857 174.967 4 Lu 0.44861847972951 0.75000000000000 0.25022434625143 174.967 5 H 0.34377168168464 0.25000000000000 0.54359940121894 1.008 6 H 0.87806331050414 0.75000000000000 0.69072392134574 1.008 7 H 0.37806331050414 0.75000000000000 0.80927607865426 1.008 8 H 0.84377168168464 0.25000000000000 0.95640059878106 1.008 9 H 0.15622831831536 0.75000000000000 0.04359940121894 1.008 10 H 0.62193668949586 0.25000000000000 0.19072392134573 1.008 11 H 0.12193668949586 0.25000000000000 0.30927607865426 1.008 12 H 0.65622831831536 0.75000000000000 0.45640059878106 1.008 13 Cl 0.21386009805192 0.75000000000000 0.61753709189281 35.453 14 Cl 0.71386009805192 0.75000000000000 0.88246290810719 35.453 15 Cl 0.28613990194807 0.25000000000000 0.11753709189281 35.453 16 Cl 0.78613990194808 0.25000000000000 0.38246290810719 35.453 17 O 0.58016130071388 0.75000000000000 0.50213597648366 15.999 18 O 0.95157357866589 0.75000000000000 0.62920363678026 15.999 19 O 0.45157357866589 0.75000000000000 0.87079636321974 15.999 20 O 0.08016130071388 0.75000000000000 0.99786402351634 15.999 21 O 0.91983869928612 0.25000000000000 0.00213597648366 15.999 22 O 0.54842642133411 0.25000000000000 0.12920363678026 15.999 23 O 0.04842642133411 0.25000000000000 0.37079636321974 15.999 24 O 0.41983869928612 0.25000000000000 0.49786402351634 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.424546759999998 0.000000000000000 0.000000000000000 b 0.000000000000000 10.346363699999994 0.000000000000000 c 0.000000000000000 0.000000000000000 12.195150440000001 Atomic positions (fractional): 1 Lu 0.55138152027049 0.08333333333333 0.37488782687428 174.967 > 1 2 Lu 0.55138152027049 0.41666666666667 0.37488782687428 174.967 > 1 3 Lu 0.55138152027049 0.75000000000000 0.37488782687428 174.967 > 1 4 Lu 0.55138152027049 0.08333333333333 0.87488782687428 174.967 > 1 5 Lu 0.55138152027049 0.41666666666667 0.87488782687428 174.967 > 1 6 Lu 0.55138152027049 0.75000000000000 0.87488782687428 174.967 > 1 7 Lu 0.05138152027049 0.08333333333333 0.37511217312572 174.967 > 7 8 Lu 0.05138152027049 0.41666666666667 0.37511217312572 174.967 > 7 9 Lu 0.05138152027049 0.75000000000000 0.37511217312572 174.967 > 7 10 Lu 0.05138152027049 0.08333333333333 0.87511217312572 174.967 > 7 11 Lu 0.05138152027049 0.41666666666667 0.87511217312572 174.967 > 7 12 Lu 0.05138152027049 0.75000000000000 0.87511217312572 174.967 > 7 13 Lu 0.94861847972951 0.25000000000000 0.12488782687428 174.967 > 13 14 Lu 0.94861847972951 0.58333333333333 0.12488782687428 174.967 > 13 15 Lu 0.94861847972951 0.91666666666667 0.12488782687428 174.967 > 13 16 Lu 0.94861847972951 0.25000000000000 0.62488782687428 174.967 > 13 17 Lu 0.94861847972951 0.58333333333333 0.62488782687428 174.967 > 13 18 Lu 0.94861847972951 0.91666666666667 0.62488782687428 174.967 > 13 19 Lu 0.44861847972951 0.25000000000000 0.12511217312572 174.967 > 19 20 Lu 0.44861847972951 0.58333333333333 0.12511217312572 174.967 > 19 21 Lu 0.44861847972951 0.91666666666667 0.12511217312572 174.967 > 19 22 Lu 0.44861847972951 0.25000000000000 0.62511217312572 174.967 > 19 23 Lu 0.44861847972951 0.58333333333333 0.62511217312572 174.967 > 19 24 Lu 0.44861847972951 0.91666666666667 0.62511217312572 174.967 > 19 25 H 0.34377168168464 0.08333333333333 0.27179970060947 1.008 > 25 26 H 0.34377168168464 0.41666666666667 0.27179970060947 1.008 > 25 27 H 0.34377168168464 0.75000000000000 0.27179970060947 1.008 > 25 28 H 0.34377168168464 0.08333333333333 0.77179970060947 1.008 > 25 29 H 0.34377168168464 0.41666666666667 0.77179970060947 1.008 > 25 30 H 0.34377168168464 0.75000000000000 0.77179970060947 1.008 > 25 31 H 0.87806331050414 0.25000000000000 0.34536196067287 1.008 > 31 32 H 0.87806331050414 0.58333333333333 0.34536196067287 1.008 > 31 33 H 0.87806331050414 0.91666666666667 0.34536196067287 1.008 > 31 34 H 0.87806331050414 0.25000000000000 0.84536196067287 1.008 > 31 35 H 0.87806331050414 0.58333333333333 0.84536196067287 1.008 > 31 36 H 0.87806331050414 0.91666666666667 0.84536196067287 1.008 > 31 37 H 0.37806331050414 0.25000000000000 0.40463803932713 1.008 > 37 38 H 0.37806331050414 0.58333333333333 0.40463803932713 1.008 > 37 39 H 0.37806331050414 0.91666666666667 0.40463803932713 1.008 > 37 40 H 0.37806331050414 0.25000000000000 0.90463803932713 1.008 > 37 41 H 0.37806331050414 0.58333333333333 0.90463803932713 1.008 > 37 42 H 0.37806331050414 0.91666666666667 0.90463803932713 1.008 > 37 43 H 0.84377168168464 0.08333333333333 0.47820029939053 1.008 > 43 44 H 0.84377168168464 0.41666666666667 0.47820029939053 1.008 > 43 45 H 0.84377168168464 0.75000000000000 0.47820029939053 1.008 > 43 46 H 0.84377168168464 0.08333333333333 0.97820029939053 1.008 > 43 47 H 0.84377168168464 0.41666666666667 0.97820029939053 1.008 > 43 48 H 0.84377168168464 0.75000000000000 0.97820029939053 1.008 > 43 49 H 0.15622831831536 0.25000000000000 0.02179970060947 1.008 > 49 50 H 0.15622831831536 0.58333333333333 0.02179970060947 1.008 > 49 51 H 0.15622831831536 0.91666666666667 0.02179970060947 1.008 > 49 52 H 0.15622831831536 0.25000000000000 0.52179970060947 1.008 > 49 53 H 0.15622831831536 0.58333333333333 0.52179970060947 1.008 > 49 54 H 0.15622831831536 0.91666666666667 0.52179970060947 1.008 > 49 55 H 0.62193668949586 0.08333333333333 0.09536196067287 1.008 > 55 56 H 0.62193668949586 0.41666666666667 0.09536196067287 1.008 > 55 57 H 0.62193668949586 0.75000000000000 0.09536196067287 1.008 > 55 58 H 0.62193668949586 0.08333333333333 0.59536196067287 1.008 > 55 59 H 0.62193668949586 0.41666666666667 0.59536196067287 1.008 > 55 60 H 0.62193668949586 0.75000000000000 0.59536196067287 1.008 > 55 61 H 0.12193668949586 0.08333333333333 0.15463803932713 1.008 > 61 62 H 0.12193668949586 0.41666666666667 0.15463803932713 1.008 > 61 63 H 0.12193668949586 0.75000000000000 0.15463803932713 1.008 > 61 64 H 0.12193668949586 0.08333333333333 0.65463803932713 1.008 > 61 65 H 0.12193668949586 0.41666666666667 0.65463803932713 1.008 > 61 66 H 0.12193668949586 0.75000000000000 0.65463803932713 1.008 > 61 67 H 0.65622831831536 0.25000000000000 0.22820029939053 1.008 > 67 68 H 0.65622831831536 0.58333333333333 0.22820029939053 1.008 > 67 69 H 0.65622831831536 0.91666666666667 0.22820029939053 1.008 > 67 70 H 0.65622831831536 0.25000000000000 0.72820029939053 1.008 > 67 71 H 0.65622831831536 0.58333333333333 0.72820029939053 1.008 > 67 72 H 0.65622831831536 0.91666666666667 0.72820029939053 1.008 > 67 73 Cl 0.21386009805192 0.25000000000000 0.30876854594641 35.453 > 73 74 Cl 0.21386009805192 0.58333333333333 0.30876854594641 35.453 > 73 75 Cl 0.21386009805192 0.91666666666667 0.30876854594641 35.453 > 73 76 Cl 0.21386009805192 0.25000000000000 0.80876854594641 35.453 > 73 77 Cl 0.21386009805192 0.58333333333333 0.80876854594641 35.453 > 73 78 Cl 0.21386009805192 0.91666666666667 0.80876854594641 35.453 > 73 79 Cl 0.71386009805192 0.25000000000000 0.44123145405359 35.453 > 79 80 Cl 0.71386009805192 0.58333333333333 0.44123145405359 35.453 > 79 81 Cl 0.71386009805192 0.91666666666667 0.44123145405359 35.453 > 79 82 Cl 0.71386009805192 0.25000000000000 0.94123145405359 35.453 > 79 83 Cl 0.71386009805192 0.58333333333333 0.94123145405359 35.453 > 79 84 Cl 0.71386009805192 0.91666666666667 0.94123145405359 35.453 > 79 85 Cl 0.28613990194807 0.08333333333333 0.05876854594641 35.453 > 85 86 Cl 0.28613990194807 0.41666666666667 0.05876854594641 35.453 > 85 87 Cl 0.28613990194807 0.75000000000000 0.05876854594641 35.453 > 85 88 Cl 0.28613990194807 0.08333333333333 0.55876854594641 35.453 > 85 89 Cl 0.28613990194807 0.41666666666667 0.55876854594641 35.453 > 85 90 Cl 0.28613990194807 0.75000000000000 0.55876854594641 35.453 > 85 91 Cl 0.78613990194808 0.08333333333333 0.19123145405359 35.453 > 91 92 Cl 0.78613990194808 0.41666666666667 0.19123145405359 35.453 > 91 93 Cl 0.78613990194808 0.75000000000000 0.19123145405359 35.453 > 91 94 Cl 0.78613990194808 0.08333333333333 0.69123145405359 35.453 > 91 95 Cl 0.78613990194808 0.41666666666667 0.69123145405359 35.453 > 91 96 Cl 0.78613990194808 0.75000000000000 0.69123145405359 35.453 > 91 97 O 0.58016130071388 0.25000000000000 0.25106798824183 15.999 > 97 98 O 0.58016130071388 0.58333333333333 0.25106798824183 15.999 > 97 99 O 0.58016130071388 0.91666666666667 0.25106798824183 15.999 > 97 100 O 0.58016130071388 0.25000000000000 0.75106798824183 15.999 > 97 101 O 0.58016130071388 0.58333333333333 0.75106798824183 15.999 > 97 102 O 0.58016130071388 0.91666666666667 0.75106798824183 15.999 > 97 103 O 0.95157357866589 0.25000000000000 0.31460181839013 15.999 > 103 104 O 0.95157357866589 0.58333333333333 0.31460181839013 15.999 > 103 105 O 0.95157357866589 0.91666666666667 0.31460181839013 15.999 > 103 106 O 0.95157357866589 0.25000000000000 0.81460181839013 15.999 > 103 107 O 0.95157357866589 0.58333333333333 0.81460181839013 15.999 > 103 108 O 0.95157357866589 0.91666666666667 0.81460181839013 15.999 > 103 109 O 0.45157357866589 0.25000000000000 0.43539818160987 15.999 > 109 110 O 0.45157357866589 0.58333333333333 0.43539818160987 15.999 > 109 111 O 0.45157357866589 0.91666666666667 0.43539818160987 15.999 > 109 112 O 0.45157357866589 0.25000000000000 0.93539818160987 15.999 > 109 113 O 0.45157357866589 0.58333333333333 0.93539818160987 15.999 > 109 114 O 0.45157357866589 0.91666666666667 0.93539818160987 15.999 > 109 115 O 0.08016130071388 0.25000000000000 0.49893201175817 15.999 > 115 116 O 0.08016130071388 0.58333333333333 0.49893201175817 15.999 > 115 117 O 0.08016130071388 0.91666666666667 0.49893201175817 15.999 > 115 118 O 0.08016130071388 0.25000000000000 0.99893201175817 15.999 > 115 119 O 0.08016130071388 0.58333333333333 0.99893201175817 15.999 > 115 120 O 0.08016130071388 0.91666666666667 0.99893201175817 15.999 > 115 121 O 0.91983869928612 0.08333333333333 0.00106798824183 15.999 > 121 122 O 0.91983869928612 0.41666666666667 0.00106798824183 15.999 > 121 123 O 0.91983869928612 0.75000000000000 0.00106798824183 15.999 > 121 124 O 0.91983869928612 0.08333333333333 0.50106798824183 15.999 > 121 125 O 0.91983869928612 0.41666666666667 0.50106798824183 15.999 > 121 126 O 0.91983869928612 0.75000000000000 0.50106798824183 15.999 > 121 127 O 0.54842642133411 0.08333333333333 0.06460181839013 15.999 > 127 128 O 0.54842642133411 0.41666666666667 0.06460181839013 15.999 > 127 129 O 0.54842642133411 0.75000000000000 0.06460181839013 15.999 > 127 130 O 0.54842642133411 0.08333333333333 0.56460181839013 15.999 > 127 131 O 0.54842642133411 0.41666666666667 0.56460181839013 15.999 > 127 132 O 0.54842642133411 0.75000000000000 0.56460181839013 15.999 > 127 133 O 0.04842642133411 0.08333333333333 0.18539818160987 15.999 > 133 134 O 0.04842642133411 0.41666666666667 0.18539818160987 15.999 > 133 135 O 0.04842642133411 0.75000000000000 0.18539818160987 15.999 > 133 136 O 0.04842642133411 0.08333333333333 0.68539818160987 15.999 > 133 137 O 0.04842642133411 0.41666666666667 0.68539818160987 15.999 > 133 138 O 0.04842642133411 0.75000000000000 0.68539818160987 15.999 > 133 139 O 0.41983869928612 0.08333333333333 0.24893201175817 15.999 > 139 140 O 0.41983869928612 0.41666666666667 0.24893201175817 15.999 > 139 141 O 0.41983869928612 0.75000000000000 0.24893201175817 15.999 > 139 142 O 0.41983869928612 0.08333333333333 0.74893201175817 15.999 > 139 143 O 0.41983869928612 0.41666666666667 0.74893201175817 15.999 > 139 144 O 0.41983869928612 0.75000000000000 0.74893201175817 15.999 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.6841011 0.0000000 0.0000000 0.0000000 3.6976423 0.0000000 0.0000000 0.0000000 3.4532030 -------------------------- Born effective charges -------------------------- 1 Lu 3.4549837 0.0000000 0.1402951 0.0000000 3.9622375 0.0000000 0.0156489 0.0000000 3.5897825 2 Lu 3.4549837 0.0000000 -0.1402951 0.0000000 3.9622375 0.0000000 -0.0156489 0.0000000 3.5897825 3 Lu 3.4549837 0.0000000 -0.1402951 0.0000000 3.9622375 0.0000000 -0.0156489 0.0000000 3.5897825 4 Lu 3.4549837 0.0000000 0.1402951 0.0000000 3.9622375 0.0000000 0.0156489 0.0000000 3.5897825 5 H 0.6701892 0.0000000 -0.0879291 0.0000000 0.6065814 0.0000000 -0.1275332 0.0000000 0.3885290 6 H 0.8150236 0.0000000 -0.2042355 0.0000000 0.3895873 0.0000000 -0.1274657 0.0000000 0.5227265 7 H 0.8150236 0.0000000 0.2042355 0.0000000 0.3895873 0.0000000 0.1274657 0.0000000 0.5227265 8 H 0.6701892 0.0000000 0.0879291 0.0000000 0.6065814 0.0000000 0.1275332 0.0000000 0.3885290 9 H 0.6701892 0.0000000 0.0879291 0.0000000 0.6065814 0.0000000 0.1275332 0.0000000 0.3885290 10 H 0.8150236 0.0000000 0.2042355 0.0000000 0.3895873 0.0000000 0.1274657 0.0000000 0.5227265 11 H 0.8150236 0.0000000 -0.2042355 0.0000000 0.3895873 0.0000000 -0.1274657 0.0000000 0.5227265 12 H 0.6701892 0.0000000 -0.0879291 0.0000000 0.6065814 0.0000000 -0.1275332 0.0000000 0.3885290 13 Cl -1.5554373 0.0000000 0.1769120 0.0000000 -1.3788151 0.0000000 0.1818002 0.0000000 -0.8729436 14 Cl -1.5554373 0.0000000 -0.1769120 0.0000000 -1.3788151 0.0000000 -0.1818002 0.0000000 -0.8729436 15 Cl -1.5554373 0.0000000 -0.1769120 0.0000000 -1.3788151 0.0000000 -0.1818002 0.0000000 -0.8729436 16 Cl -1.5554373 0.0000000 0.1769120 0.0000000 -1.3788151 0.0000000 0.1818002 0.0000000 -0.8729436 17 O -1.6959592 0.0000000 -0.2469643 0.0000000 -1.6871508 0.0000000 -0.1770791 0.0000000 -1.8842215 18 O -1.6887999 0.0000000 -0.2088229 0.0000000 -1.8924402 0.0000000 -0.2971285 0.0000000 -1.7438728 19 O -1.6887999 0.0000000 0.2088229 0.0000000 -1.8924402 0.0000000 0.2971285 0.0000000 -1.7438728 20 O -1.6959592 0.0000000 0.2469643 0.0000000 -1.6871508 0.0000000 0.1770791 0.0000000 -1.8842215 21 O -1.6959592 0.0000000 0.2469643 0.0000000 -1.6871508 0.0000000 0.1770791 0.0000000 -1.8842215 22 O -1.6887999 0.0000000 0.2088229 0.0000000 -1.8924402 0.0000000 0.2971285 0.0000000 -1.7438728 23 O -1.6887999 0.0000000 -0.2088229 0.0000000 -1.8924402 0.0000000 -0.2971285 0.0000000 -1.7438728 24 O -1.6959592 0.0000000 -0.2469643 0.0000000 -1.6871508 0.0000000 -0.1770791 0.0000000 -1.8842215 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) Max drift of fc2: -0.00000000 (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 ... [ 4 14 8 ] 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: 0.65, Number of G-points: 291, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/120) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.115 ( 0.000 0.000 0.000) 0.000 1.131 ( 0.000 0.000 0.000) 0.000 2.128 ( 0.000 0.000 0.000) 0.000 2.884 ( 0.000 0.000 0.000) 0.000 3.069 ( 0.000 0.000 0.000) 0.000 3.134 ( 0.000 0.000 0.000) 0.000 3.228 ( 0.000 0.000 0.000) 0.000 3.453 ( 0.000 0.000 0.000) 0.000 3.455 ( 0.000 0.000 0.000) 0.000 3.518 ( 0.000 0.000 0.000) 0.000 3.575 ( 0.000 0.000 0.000) 0.000 3.843 ( 0.000 0.000 0.000) 0.000 3.982 ( 0.000 0.000 0.000) 0.000 4.610 ( 0.000 0.000 0.000) 0.000 4.733 ( 0.000 0.000 0.000) 0.000 4.829 ( 0.000 0.000 0.000) 0.000 5.046 ( 0.000 0.000 0.000) 0.000 5.663 ( 0.000 0.000 0.000) 0.000 5.806 ( 0.000 0.000 0.000) 0.000 5.911 ( 0.000 0.000 0.000) 0.000 6.871 ( 0.000 0.000 0.000) 0.000 7.914 ( 0.000 0.000 0.000) 0.000 7.919 ( 0.000 0.000 0.000) 0.000 8.714 ( 0.000 0.000 0.000) 0.000 8.722 ( 0.000 0.000 0.000) 0.000 9.645 ( 0.000 0.000 0.000) 0.000 9.651 ( 0.000 0.000 0.000) 0.000 9.787 ( 0.000 0.000 0.000) 0.000 9.798 ( 0.000 0.000 0.000) 0.000 9.848 ( 0.000 0.000 0.000) 0.000 9.897 ( 0.000 0.000 0.000) 0.000 11.080 ( 0.000 0.000 0.000) 0.000 11.263 ( 0.000 0.000 0.000) 0.000 11.274 ( 0.000 0.000 0.000) 0.000 11.280 ( 0.000 0.000 0.000) 0.000 11.752 ( 0.000 0.000 0.000) 0.000 11.756 ( 0.000 0.000 0.000) 0.000 12.224 ( 0.000 0.000 0.000) 0.000 12.602 ( 0.000 0.000 0.000) 0.000 13.050 ( 0.000 0.000 0.000) 0.000 13.142 ( 0.000 0.000 0.000) 0.000 13.779 ( 0.000 0.000 0.000) 0.000 13.875 ( 0.000 0.000 0.000) 0.000 14.374 ( 0.000 0.000 0.000) 0.000 14.802 ( 0.000 0.000 0.000) 0.000 17.220 ( 0.000 0.000 0.000) 0.000 17.341 ( 0.000 0.000 0.000) 0.000 18.078 ( 0.000 0.000 0.000) 0.000 18.178 ( 0.000 0.000 0.000) 0.000 22.246 ( 0.000 0.000 0.000) 0.000 22.272 ( 0.000 0.000 0.000) 0.000 22.295 ( 0.000 0.000 0.000) 0.000 22.416 ( 0.000 0.000 0.000) 0.000 22.448 ( 0.000 0.000 0.000) 0.000 22.516 ( 0.000 0.000 0.000) 0.000 22.759 ( 0.000 0.000 0.000) 0.000 22.963 ( 0.000 0.000 0.000) 0.000 24.941 ( 0.000 0.000 0.000) 0.000 25.102 ( 0.000 0.000 0.000) 0.000 25.468 ( 0.000 0.000 0.000) 0.000 25.611 ( 0.000 0.000 0.000) 0.000 104.215 ( 0.000 0.000 0.000) 0.000 104.299 ( 0.000 0.000 0.000) 0.000 104.350 ( 0.000 0.000 0.000) 0.000 104.539 ( 0.000 0.000 0.000) 0.000 105.854 ( 0.000 0.000 0.000) 0.000 105.854 ( 0.000 0.000 0.000) 0.000 105.937 ( 0.000 0.000 0.000) 0.000 106.620 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/120) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.403 ( 19.312 0.000 0.000) 19.312 0.414 ( 19.783 0.000 0.000) 19.783 0.789 ( 37.544 0.000 0.000) 37.544 1.018 ( -9.271 0.000 0.000) 9.271 1.038 ( -9.239 0.000 0.000) 9.239 1.954 ( -16.847 0.000 0.000) 16.847 2.915 ( 2.863 0.000 0.000) 2.863 3.045 ( -2.277 0.000 0.000) 2.277 3.160 ( 2.253 0.000 0.000) 2.253 3.226 ( -0.358 0.000 0.000) 0.358 3.456 ( 0.378 0.000 0.000) 0.378 3.469 ( 1.345 0.000 0.000) 1.345 3.502 ( -1.411 0.000 0.000) 1.411 3.551 ( -2.059 0.000 0.000) 2.059 3.870 ( 2.336 0.000 0.000) 2.336 3.966 ( -1.561 0.000 0.000) 1.561 4.738 ( 0.435 0.000 0.000) 0.435 4.783 ( -2.101 0.000 0.000) 2.101 4.909 ( 3.622 0.000 0.000) 3.622 5.027 ( -1.746 0.000 0.000) 1.746 5.807 ( 0.255 0.000 0.000) 0.255 5.876 ( -2.829 0.000 0.000) 2.829 6.960 ( 7.945 0.000 0.000) 7.945 7.295 ( -5.540 0.000 0.000) 5.540 7.915 ( 0.085 0.000 0.000) 0.085 7.919 ( -0.050 0.000 0.000) 0.050 8.717 ( 0.259 0.000 0.000) 0.259 8.727 ( -0.150 0.000 0.000) 0.150 9.646 ( 0.049 0.000 0.000) 0.049 9.650 ( -0.107 0.000 0.000) 0.107 9.796 ( 0.860 0.000 0.000) 0.860 9.812 ( 1.314 0.000 0.000) 1.314 9.839 ( -0.819 0.000 0.000) 0.819 9.882 ( -1.396 0.000 0.000) 1.396 11.109 ( 2.729 0.000 0.000) 2.729 11.254 ( -2.929 0.000 0.000) 2.929 11.265 ( 0.154 0.000 0.000) 0.154 11.273 ( -0.152 0.000 0.000) 0.152 11.753 ( 0.097 0.000 0.000) 0.097 11.756 ( 0.000 0.000 0.000) 0.000 12.603 ( 0.136 0.000 0.000) 0.136 12.607 ( -0.001 0.000 0.000) 0.001 13.063 ( 1.271 0.000 0.000) 1.271 13.128 ( -1.260 0.000 0.000) 1.260 13.793 ( 1.316 0.000 0.000) 1.316 13.860 ( -1.331 0.000 0.000) 1.331 14.808 ( 0.532 0.000 0.000) 0.532 14.832 ( -0.411 0.000 0.000) 0.411 17.236 ( 1.522 0.000 0.000) 1.522 17.321 ( -1.835 0.000 0.000) 1.835 18.095 ( 1.538 0.000 0.000) 1.538 18.165 ( -1.233 0.000 0.000) 1.233 22.268 ( 2.129 0.000 0.000) 2.129 22.273 ( 0.162 0.000 0.000) 0.162 22.288 ( -0.507 0.000 0.000) 0.507 22.405 ( -3.612 0.000 0.000) 3.612 22.438 ( 1.486 0.000 0.000) 1.486 22.504 ( -1.138 0.000 0.000) 1.138 22.803 ( 3.635 0.000 0.000) 3.635 22.941 ( -2.150 0.000 0.000) 2.150 25.105 ( 0.317 0.000 0.000) 0.317 25.131 ( -0.729 0.000 0.000) 0.729 25.492 ( 2.193 0.000 0.000) 2.193 25.593 ( -1.805 0.000 0.000) 1.805 104.232 ( 1.614 0.000 0.000) 1.614 104.326 ( -2.167 0.000 0.000) 2.167 104.554 ( 1.313 0.000 0.000) 1.313 104.604 ( -0.747 0.000 0.000) 0.747 105.865 ( 1.030 0.000 0.000) 1.030 105.923 ( -1.260 0.000 0.000) 1.260 106.635 ( 1.320 0.000 0.000) 1.320 106.696 ( -1.094 0.000 0.000) 1.094 ======================= Grid point 2 (3/120) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( -15.787 0.000 0.000) 15.787 0.761 ( 15.787 0.000 0.000) 15.787 0.779 ( -15.978 0.000 0.000) 15.978 0.779 ( 15.978 0.000 0.000) 15.978 1.476 ( -29.838 0.000 0.000) 29.838 1.476 ( 29.838 0.000 0.000) 29.838 2.984 ( -3.553 0.000 0.000) 3.553 2.984 ( 3.553 0.000 0.000) 3.553 3.205 ( -1.827 0.000 0.000) 1.827 3.205 ( 1.827 0.000 0.000) 1.827 3.472 ( -1.259 0.000 0.000) 1.259 3.472 ( 1.259 0.000 0.000) 1.259 3.506 ( -2.224 0.000 0.000) 2.224 3.506 ( 2.224 0.000 0.000) 2.224 3.922 ( -2.583 0.000 0.000) 2.583 3.922 ( 2.583 0.000 0.000) 2.583 4.752 ( -1.069 0.000 0.000) 1.069 4.752 ( 1.069 0.000 0.000) 1.069 4.978 ( -3.061 0.000 0.000) 3.061 4.978 ( 3.061 0.000 0.000) 3.061 5.825 ( -1.774 0.000 0.000) 1.774 5.825 ( 1.774 0.000 0.000) 1.774 7.143 ( -9.122 0.000 0.000) 9.122 7.143 ( 9.122 0.000 0.000) 9.122 7.917 ( -0.095 0.000 0.000) 0.095 7.917 ( 0.095 0.000 0.000) 0.095 8.723 ( -0.273 0.000 0.000) 0.273 8.723 ( 0.273 0.000 0.000) 0.273 9.647 ( -0.102 0.000 0.000) 0.102 9.647 ( 0.102 0.000 0.000) 0.102 9.818 ( -1.178 0.000 0.000) 1.178 9.818 ( 1.178 0.000 0.000) 1.178 9.847 ( -1.922 0.000 0.000) 1.922 9.847 ( 1.922 0.000 0.000) 1.922 11.180 ( -3.976 0.000 0.000) 3.976 11.180 ( 3.976 0.000 0.000) 3.976 11.269 ( -0.216 0.000 0.000) 0.216 11.269 ( 0.216 0.000 0.000) 0.216 11.755 ( -0.086 0.000 0.000) 0.086 11.755 ( 0.086 0.000 0.000) 0.086 12.606 ( -0.109 0.000 0.000) 0.109 12.606 ( 0.109 0.000 0.000) 0.109 13.096 ( -1.797 0.000 0.000) 1.797 13.096 ( 1.797 0.000 0.000) 1.797 13.827 ( -1.865 0.000 0.000) 1.865 13.827 ( 1.865 0.000 0.000) 1.865 14.821 ( -0.663 0.000 0.000) 0.663 14.821 ( 0.663 0.000 0.000) 0.663 17.277 ( -2.345 0.000 0.000) 2.345 17.277 ( 2.345 0.000 0.000) 2.345 18.132 ( -1.929 0.000 0.000) 1.929 18.132 ( 1.929 0.000 0.000) 1.929 22.279 ( -0.398 0.000 0.000) 0.398 22.279 ( 0.398 0.000 0.000) 0.398 22.328 ( -3.669 0.000 0.000) 3.669 22.328 ( 3.669 0.000 0.000) 3.669 22.473 ( -1.780 0.000 0.000) 1.780 22.473 ( 1.780 0.000 0.000) 1.780 22.881 ( -3.700 0.000 0.000) 3.700 22.881 ( 3.700 0.000 0.000) 3.700 25.115 ( -0.677 0.000 0.000) 0.677 25.115 ( 0.677 0.000 0.000) 0.677 25.544 ( -2.764 0.000 0.000) 2.764 25.544 ( 2.764 0.000 0.000) 2.764 104.275 ( -2.537 0.000 0.000) 2.537 104.275 ( 2.537 0.000 0.000) 2.537 104.583 ( -1.320 0.000 0.000) 1.320 104.583 ( 1.320 0.000 0.000) 1.320 105.892 ( -1.600 0.000 0.000) 1.600 105.892 ( 1.600 0.000 0.000) 1.600 106.667 ( -1.689 0.000 0.000) 1.689 106.667 ( 1.689 0.000 0.000) 1.689 ======================= Grid point 5 (4/120) ======================= q-point: ( 0.00 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.391 ( 0.000 19.635 0.000) 19.635 0.619 ( 0.000 29.669 0.000) 29.669 1.058 ( 0.000 50.298 0.000) 50.298 1.263 ( 0.000 11.979 0.000) 11.979 1.487 ( 0.000 30.516 0.000) 30.516 2.028 ( 0.000 -7.736 0.000) 7.736 3.078 ( 0.000 15.937 0.000) 15.937 3.135 ( 0.000 -0.075 0.000) 0.075 3.218 ( 0.000 13.778 0.000) 13.778 3.235 ( 0.000 0.640 0.000) 0.640 3.447 ( 0.000 -0.280 0.000) 0.280 3.534 ( 0.000 2.526 0.000) 2.526 3.763 ( 0.000 16.512 0.000) 16.512 3.985 ( 0.000 13.108 0.000) 13.108 4.110 ( 0.000 11.938 0.000) 11.938 4.560 ( 0.000 5.028 0.000) 5.028 4.593 ( 0.000 -1.642 0.000) 1.642 4.704 ( 0.000 -2.800 0.000) 2.800 4.831 ( 0.000 0.665 0.000) 0.665 4.975 ( 0.000 -6.315 0.000) 6.315 5.646 ( 0.000 -1.560 0.000) 1.560 5.765 ( 0.000 -3.843 0.000) 3.843 5.868 ( 0.000 -3.976 0.000) 3.976 6.445 ( 0.000 -26.689 0.000) 26.689 8.424 ( 0.000 31.278 0.000) 31.278 8.733 ( 0.000 1.810 0.000) 1.810 8.737 ( 0.000 1.518 0.000) 1.518 8.930 ( 0.000 -0.630 0.000) 0.630 9.559 ( 0.000 -8.029 0.000) 8.029 9.564 ( 0.000 -8.117 0.000) 8.117 9.763 ( 0.000 1.551 0.000) 1.551 9.921 ( 0.000 2.294 0.000) 2.294 9.981 ( 0.000 9.456 0.000) 9.456 10.737 ( 0.000 -0.692 0.000) 0.692 10.917 ( 0.000 -11.631 0.000) 11.631 11.022 ( 0.000 -13.886 0.000) 13.886 11.386 ( 0.000 8.413 0.000) 8.413 11.464 ( 0.000 8.809 0.000) 8.809 11.765 ( 0.000 1.420 0.000) 1.420 11.782 ( 0.000 2.487 0.000) 2.487 12.335 ( 0.000 8.952 0.000) 8.952 12.607 ( 0.000 0.365 0.000) 0.365 13.021 ( 0.000 -2.672 0.000) 2.672 13.081 ( 0.000 -5.595 0.000) 5.595 13.769 ( 0.000 -0.909 0.000) 0.909 13.855 ( 0.000 -1.841 0.000) 1.841 14.337 ( 0.000 -3.458 0.000) 3.458 14.636 ( 0.000 -13.305 0.000) 13.305 17.360 ( 0.000 12.404 0.000) 12.404 18.150 ( 0.000 6.682 0.000) 6.682 18.598 ( 0.000 35.916 0.000) 35.916 20.715 ( 0.000 -4.956 0.000) 4.956 21.911 ( 0.000 -18.118 0.000) 18.118 22.119 ( 0.000 -11.640 0.000) 11.640 22.140 ( 0.000 -16.107 0.000) 16.107 22.210 ( 0.000 -6.163 0.000) 6.163 22.936 ( 0.000 26.328 0.000) 26.328 22.982 ( 0.000 10.021 0.000) 10.021 23.105 ( 0.000 10.619 0.000) 10.619 23.113 ( 0.000 23.335 0.000) 23.335 24.943 ( 0.000 0.359 0.000) 0.359 25.103 ( 0.000 0.425 0.000) 0.425 25.468 ( 0.000 0.146 0.000) 0.146 25.589 ( 0.000 -2.176 0.000) 2.176 104.215 ( 0.000 0.020 0.000) 0.020 104.296 ( 0.000 -0.332 0.000) 0.332 104.337 ( 0.000 -1.190 0.000) 1.190 104.529 ( 0.000 -0.930 0.000) 0.930 105.836 ( 0.000 -1.739 0.000) 1.739 105.836 ( 0.000 -1.739 0.000) 1.739 105.896 ( 0.000 -3.643 0.000) 3.643 106.524 ( 0.000 -8.797 0.000) 8.797 ======================= Grid point 6 (5/120) ======================= q-point: ( 0.25 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.717 ( 22.126 11.175 0.000) 24.788 0.739 ( 10.572 24.314 0.000) 26.513 1.183 ( -5.632 15.476 0.000) 16.469 1.216 ( 13.002 38.487 0.000) 40.624 1.381 ( -9.985 27.121 0.000) 28.901 1.915 ( -11.321 -0.777 0.000) 11.348 3.090 ( 1.431 14.323 0.000) 14.394 3.158 ( 1.985 -0.084 0.000) 1.987 3.198 ( -1.956 12.882 0.000) 13.030 3.233 ( -0.471 0.825 0.000) 0.950 3.460 ( 1.373 1.308 0.000) 1.896 3.526 ( -0.837 3.025 0.000) 3.138 3.757 ( -0.012 18.076 0.000) 18.076 4.009 ( 2.114 12.877 0.000) 13.049 4.035 ( -19.906 29.413 0.000) 35.516 4.097 ( -1.715 12.420 0.000) 12.537 4.711 ( 0.617 -2.630 0.000) 2.701 4.764 ( -1.386 -2.409 0.000) 2.779 4.820 ( 4.295 -5.935 0.000) 7.326 4.956 ( -1.860 -6.381 0.000) 6.647 5.757 ( 0.572 -4.731 0.000) 4.766 5.832 ( -2.885 -4.060 0.000) 4.980 6.136 ( 25.281 -30.758 0.000) 39.815 6.472 ( 1.549 -28.776 0.000) 28.818 8.459 ( 3.607 30.074 0.000) 30.290 8.710 ( -3.706 4.195 0.000) 5.597 8.742 ( 0.842 2.811 0.000) 2.935 8.838 ( -6.535 10.565 0.000) 12.423 9.560 ( 0.102 -8.004 0.000) 8.004 9.564 ( -0.012 -8.118 0.000) 8.118 9.784 ( 2.043 2.474 0.000) 3.209 9.902 ( -1.910 2.702 0.000) 3.309 9.989 ( 0.983 10.699 0.000) 10.744 10.317 ( -23.370 25.909 0.000) 34.892 10.934 ( 1.628 -12.010 0.000) 12.120 11.009 ( -1.273 -13.557 0.000) 13.616 11.395 ( 0.937 8.491 0.000) 8.542 11.454 ( -1.259 8.466 0.000) 8.559 11.767 ( 0.208 1.545 0.000) 1.559 11.776 ( -0.241 2.267 0.000) 2.279 12.470 ( 7.076 -2.715 0.000) 7.579 12.597 ( -1.025 -0.500 0.000) 1.140 13.023 ( 0.496 -3.058 0.000) 3.098 13.070 ( -1.075 -5.277 0.000) 5.386 13.775 ( 0.888 -1.251 0.000) 1.535 13.840 ( -1.405 -1.871 0.000) 2.340 14.452 ( 7.670 -12.484 0.000) 14.652 14.622 ( -1.501 -14.018 0.000) 14.099 17.454 ( 9.446 15.982 0.000) 18.564 18.077 ( -9.260 8.697 0.000) 12.704 18.599 ( 0.479 38.198 0.000) 38.201 19.383 ( -71.613 79.648 0.000) 107.108 21.922 ( 1.070 -17.944 0.000) 17.975 22.023 ( -6.035 -11.497 0.000) 12.985 22.121 ( 0.184 -12.024 0.000) 12.025 22.136 ( -0.416 -15.204 0.000) 15.209 22.845 ( -1.561 21.128 0.000) 21.185 22.913 ( -2.126 24.071 0.000) 24.165 23.112 ( 0.529 13.661 0.000) 13.672 23.123 ( 0.081 21.793 0.000) 21.794 25.052 ( 3.714 -4.457 0.000) 5.802 25.100 ( -0.301 -0.114 0.000) 0.322 25.486 ( 1.755 -0.381 0.000) 1.796 25.572 ( -1.586 -1.947 0.000) 2.511 104.224 ( 1.489 -0.610 0.000) 1.610 104.314 ( -2.045 -1.042 0.000) 2.295 104.483 ( 6.799 -7.158 0.000) 9.872 104.538 ( 0.643 -1.506 0.000) 1.637 105.834 ( 0.886 -2.786 0.000) 2.923 105.884 ( -1.094 -3.481 0.000) 3.649 106.218 ( 20.343 -21.569 0.000) 29.649 106.517 ( -0.990 -10.385 0.000) 10.432 ======================= Grid point 7 (6/120) ======================= q-point: (-0.50 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( -11.888 17.298 0.000) 20.989 0.980 ( 11.888 17.298 0.000) 20.989 1.111 ( -16.357 19.250 0.000) 25.261 1.111 ( 16.357 19.250 0.000) 25.261 1.589 ( -19.762 16.778 0.000) 25.923 1.589 ( 19.762 16.778 0.000) 25.923 3.138 ( -3.019 11.948 0.000) 12.324 3.138 ( 3.019 11.948 0.000) 12.324 3.208 ( -1.944 1.031 0.000) 2.201 3.208 ( 1.944 1.031 0.000) 2.201 3.497 ( -1.943 3.117 0.000) 3.673 3.497 ( 1.943 3.117 0.000) 3.673 3.800 ( -5.394 23.650 0.000) 24.257 3.800 ( 5.394 23.650 0.000) 24.257 4.057 ( -2.343 12.451 0.000) 12.669 4.057 ( 2.343 12.451 0.000) 12.669 4.730 ( -1.328 -2.203 0.000) 2.572 4.730 ( 1.328 -2.203 0.000) 2.572 4.902 ( -3.428 -6.591 0.000) 7.429 4.902 ( 3.428 -6.591 0.000) 7.429 5.779 ( -1.930 -4.253 0.000) 4.671 5.779 ( 1.930 -4.253 0.000) 4.671 6.442 ( -6.443 -33.566 0.000) 34.179 6.442 ( 6.443 -33.566 0.000) 34.179 8.573 ( -7.542 23.466 0.000) 24.648 8.573 ( 7.542 23.466 0.000) 24.648 8.765 ( -1.601 6.060 0.000) 6.268 8.765 ( 1.601 6.060 0.000) 6.268 9.563 ( -0.136 -8.029 0.000) 8.030 9.563 ( 0.136 -8.029 0.000) 8.030 9.843 ( -3.574 3.970 0.000) 5.342 9.843 ( 3.574 3.970 0.000) 5.342 10.044 ( -5.785 17.055 0.000) 18.010 10.044 ( 5.785 17.055 0.000) 18.010 10.974 ( -2.082 -12.850 0.000) 13.018 10.974 ( 2.082 -12.850 0.000) 13.018 11.422 ( -1.616 8.579 0.000) 8.730 11.422 ( 1.616 8.579 0.000) 8.730 11.772 ( -0.231 1.842 0.000) 1.857 11.772 ( 0.231 1.842 0.000) 1.857 12.562 ( -2.662 -2.588 0.000) 3.713 12.562 ( 2.662 -2.588 0.000) 3.713 13.043 ( -1.360 -4.332 0.000) 4.540 13.043 ( 1.360 -4.332 0.000) 4.540 13.805 ( -1.857 -1.797 0.000) 2.584 13.805 ( 1.857 -1.797 0.000) 2.584 14.570 ( -3.964 -15.246 0.000) 15.753 14.570 ( 3.964 -15.246 0.000) 15.753 17.745 ( -19.051 20.911 0.000) 28.288 17.745 ( 19.051 20.911 0.000) 28.288 18.672 ( -10.313 52.161 0.000) 53.171 18.672 ( 10.313 52.161 0.000) 53.171 21.954 ( -2.107 -16.767 0.000) 16.899 21.954 ( 2.107 -16.767 0.000) 16.899 22.127 ( -0.394 -13.283 0.000) 13.289 22.127 ( 0.394 -13.283 0.000) 13.289 22.864 ( -2.292 21.459 0.000) 21.581 22.864 ( 2.292 21.459 0.000) 21.581 23.121 ( -0.291 18.474 0.000) 18.476 23.121 ( 0.291 18.474 0.000) 18.476 25.089 ( -0.826 -1.774 0.000) 1.957 25.089 ( 0.826 -1.774 0.000) 1.957 25.530 ( -2.358 -1.290 0.000) 2.688 25.530 ( 2.358 -1.290 0.000) 2.688 104.266 ( -2.458 -0.839 0.000) 2.598 104.266 ( 2.458 -0.839 0.000) 2.598 104.543 ( -0.583 -3.337 0.000) 3.388 104.543 ( 0.583 -3.337 0.000) 3.388 105.858 ( -1.398 -3.128 0.000) 3.426 105.858 ( 1.398 -3.128 0.000) 3.426 106.460 ( -5.684 -15.848 0.000) 16.836 106.460 ( 5.684 -15.848 0.000) 16.836 ======================= Grid point 10 (7/120) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.815 ( 0.000 21.118 0.000) 21.118 1.222 ( 0.000 28.371 0.000) 28.371 1.583 ( 0.000 17.977 0.000) 17.977 1.865 ( 0.000 -7.310 0.000) 7.310 2.062 ( 0.000 45.807 0.000) 45.807 2.184 ( 0.000 33.734 0.000) 33.734 3.124 ( 0.000 -0.817 0.000) 0.817 3.259 ( 0.000 2.092 0.000) 2.092 3.384 ( 0.000 9.591 0.000) 9.591 3.462 ( 0.000 2.194 0.000) 2.194 3.595 ( 0.000 21.422 0.000) 21.422 3.699 ( 0.000 16.059 0.000) 16.059 4.192 ( 0.000 23.258 0.000) 23.258 4.344 ( 0.000 20.149 0.000) 20.149 4.442 ( 0.000 19.021 0.000) 19.021 4.546 ( 0.000 -2.691 0.000) 2.691 4.616 ( 0.000 -5.638 0.000) 5.638 4.635 ( 0.000 0.239 0.000) 0.239 4.824 ( 0.000 -7.017 0.000) 7.017 4.906 ( 0.000 7.770 0.000) 7.770 5.599 ( 0.000 -2.950 0.000) 2.950 5.656 ( 0.000 -6.354 0.000) 6.354 5.759 ( 0.000 -6.066 0.000) 6.066 5.979 ( 0.000 -18.071 0.000) 18.071 8.783 ( 0.000 2.663 0.000) 2.663 8.783 ( 0.000 2.746 0.000) 2.746 8.825 ( 0.000 5.644 0.000) 5.644 8.898 ( 0.000 -2.717 0.000) 2.717 9.335 ( 0.000 -13.148 0.000) 13.148 9.338 ( 0.000 -12.238 0.000) 12.238 9.922 ( 0.000 11.953 0.000) 11.953 9.991 ( 0.000 4.491 0.000) 4.491 10.249 ( 0.000 16.796 0.000) 16.796 10.678 ( 0.000 -10.293 0.000) 10.293 10.715 ( 0.000 -1.507 0.000) 1.507 10.746 ( 0.000 -11.826 0.000) 11.826 11.575 ( 0.000 9.625 0.000) 9.625 11.657 ( 0.000 9.623 0.000) 9.623 11.823 ( 0.000 4.546 0.000) 4.546 11.853 ( 0.000 4.209 0.000) 4.209 12.524 ( 0.000 8.174 0.000) 8.174 12.607 ( 0.000 -0.605 0.000) 0.605 12.926 ( 0.000 -8.825 0.000) 8.825 12.948 ( 0.000 -4.056 0.000) 4.056 13.741 ( 0.000 -1.848 0.000) 1.848 13.802 ( 0.000 -3.129 0.000) 3.129 14.243 ( 0.000 -5.278 0.000) 5.278 14.357 ( 0.000 -12.229 0.000) 12.229 17.667 ( 0.000 15.797 0.000) 15.797 18.336 ( 0.000 10.756 0.000) 10.756 19.428 ( 0.000 38.896 0.000) 38.896 20.565 ( 0.000 -9.394 0.000) 9.394 21.597 ( 0.000 -11.920 0.000) 11.920 21.855 ( 0.000 -11.109 0.000) 11.109 21.895 ( 0.000 -8.062 0.000) 8.062 22.098 ( 0.000 -4.191 0.000) 4.191 23.203 ( 0.000 10.428 0.000) 10.428 23.306 ( 0.000 7.623 0.000) 7.623 23.494 ( 0.000 26.816 0.000) 26.816 23.598 ( 0.000 22.313 0.000) 22.313 24.968 ( 0.000 2.484 0.000) 2.484 25.145 ( 0.000 4.331 0.000) 4.331 25.482 ( 0.000 1.520 0.000) 1.520 25.524 ( 0.000 -3.865 0.000) 3.865 104.216 ( 0.000 0.059 0.000) 0.059 104.286 ( 0.000 -0.569 0.000) 0.569 104.308 ( 0.000 -1.427 0.000) 1.427 104.502 ( 0.000 -1.682 0.000) 1.682 105.785 ( 0.000 -3.083 0.000) 3.083 105.785 ( 0.000 -3.037 0.000) 3.037 105.802 ( 0.000 -5.061 0.000) 5.061 106.288 ( 0.000 -13.076 0.000) 13.076 ======================= Grid point 11 (8/120) ======================= q-point: ( 0.25 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( 14.027 14.525 0.000) 20.193 1.278 ( 5.177 26.484 0.000) 26.985 1.533 ( -4.762 19.234 0.000) 19.815 1.667 ( -15.820 -0.137 0.000) 15.821 2.115 ( 4.765 42.916 0.000) 43.180 2.241 ( 2.058 30.539 0.000) 30.608 3.148 ( 2.160 -0.553 0.000) 2.230 3.240 ( -1.719 1.910 0.000) 2.569 3.385 ( 0.230 9.073 0.000) 9.076 3.433 ( -2.109 5.408 0.000) 5.804 3.629 ( 2.667 18.523 0.000) 18.714 3.700 ( -0.149 15.998 0.000) 15.998 4.212 ( 2.487 23.877 0.000) 24.006 4.363 ( 1.680 19.963 0.000) 20.034 4.429 ( -1.387 19.143 0.000) 19.193 4.475 ( -6.500 10.959 0.000) 12.742 4.626 ( 1.001 -5.449 0.000) 5.541 4.669 ( 2.114 -4.078 0.000) 4.594 4.784 ( -6.891 3.703 0.000) 7.823 4.805 ( -1.799 -6.897 0.000) 7.128 5.630 ( 1.131 -6.719 0.000) 6.814 5.720 ( -3.097 -6.384 0.000) 7.096 5.786 ( 10.452 -9.791 0.000) 14.322 5.993 ( 0.319 -17.717 0.000) 17.720 8.756 ( -1.372 3.669 0.000) 3.917 8.765 ( -1.391 2.400 0.000) 2.774 8.862 ( 2.290 3.268 0.000) 3.990 8.905 ( 0.305 -1.290 0.000) 1.326 9.336 ( 0.099 -12.993 0.000) 12.994 9.339 ( 0.021 -12.328 0.000) 12.328 9.937 ( 1.272 10.352 0.000) 10.430 9.984 ( -0.725 5.130 0.000) 5.181 10.290 ( 4.272 17.585 0.000) 18.096 10.615 ( -8.744 6.145 0.000) 10.687 10.689 ( 1.081 -10.525 0.000) 10.580 10.738 ( -0.809 -11.581 0.000) 11.609 11.584 ( 0.823 9.516 0.000) 9.551 11.640 ( -1.458 9.508 0.000) 9.619 11.829 ( 0.586 4.784 0.000) 4.820 11.851 ( -0.240 4.722 0.000) 4.728 12.521 ( 0.113 5.010 0.000) 5.011 12.583 ( -2.104 -0.977 0.000) 2.320 12.931 ( 0.381 -7.585 0.000) 7.594 12.945 ( -0.262 -4.279 0.000) 4.287 13.743 ( 0.382 -1.899 0.000) 1.937 13.789 ( -1.228 -2.939 0.000) 3.185 14.269 ( 2.188 -7.067 0.000) 7.398 14.346 ( -1.105 -11.607 0.000) 11.659 17.786 ( 11.136 15.376 0.000) 18.985 18.276 ( -6.499 10.735 0.000) 12.549 19.471 ( 5.027 39.456 0.000) 39.775 20.227 ( -29.101 13.756 0.000) 32.189 21.614 ( 1.781 -11.490 0.000) 11.627 21.814 ( -6.201 -10.203 0.000) 11.939 21.894 ( -0.075 -7.989 0.000) 7.989 21.935 ( -6.738 -2.551 0.000) 7.204 23.196 ( 0.257 12.710 0.000) 12.712 23.276 ( -2.541 9.994 0.000) 10.312 23.520 ( 2.083 24.770 0.000) 24.858 23.590 ( -0.866 22.308 0.000) 22.324 25.015 ( 3.560 1.132 0.000) 3.735 25.129 ( -1.625 3.575 0.000) 3.927 25.485 ( 0.387 0.599 0.000) 0.713 25.517 ( -0.727 -3.166 0.000) 3.249 104.214 ( 0.854 -0.257 0.000) 0.892 104.289 ( -1.742 -1.225 0.000) 2.130 104.380 ( 6.019 -3.264 0.000) 6.847 104.498 ( -0.555 -2.235 0.000) 2.303 105.764 ( 0.261 -3.623 0.000) 3.632 105.794 ( -0.712 -4.836 0.000) 4.888 105.940 ( 10.899 -8.602 0.000) 13.885 106.258 ( -3.260 -13.537 0.000) 13.925 ======================= Grid point 12 (9/120) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( -17.861 6.006 0.000) 18.844 1.310 ( 17.861 6.006 0.000) 18.844 1.410 ( -6.523 22.331 0.000) 23.264 1.410 ( 6.523 22.331 0.000) 23.264 2.216 ( -4.128 36.002 0.000) 36.238 2.216 ( 4.128 36.002 0.000) 36.238 3.197 ( -2.412 0.501 0.000) 2.463 3.197 ( 2.412 0.501 0.000) 2.463 3.398 ( -1.178 8.017 0.000) 8.103 3.398 ( 1.178 8.017 0.000) 8.103 3.680 ( -1.970 16.485 0.000) 16.603 3.680 ( 1.970 16.485 0.000) 16.603 4.312 ( -7.387 23.169 0.000) 24.317 4.312 ( 7.387 23.169 0.000) 24.317 4.401 ( -1.937 19.583 0.000) 19.679 4.401 ( 1.937 19.583 0.000) 19.679 4.657 ( -2.114 -4.420 0.000) 4.900 4.657 ( 2.114 -4.420 0.000) 4.900 4.759 ( -2.407 -5.846 0.000) 6.322 4.759 ( 2.407 -5.846 0.000) 6.322 5.662 ( -2.284 -6.598 0.000) 6.982 5.662 ( 2.284 -6.598 0.000) 6.982 5.951 ( -5.074 -16.058 0.000) 16.840 5.951 ( 5.074 -16.058 0.000) 16.840 8.745 ( -0.325 2.963 0.000) 2.981 8.745 ( 0.325 2.963 0.000) 2.981 8.898 ( -1.111 0.915 0.000) 1.439 8.898 ( 1.111 0.915 0.000) 1.439 9.338 ( -0.069 -12.628 0.000) 12.628 9.338 ( 0.069 -12.628 0.000) 12.628 9.964 ( -1.236 7.207 0.000) 7.312 9.964 ( 1.236 7.207 0.000) 7.312 10.425 ( -8.849 15.880 0.000) 18.179 10.425 ( 8.849 15.880 0.000) 18.179 10.715 ( -1.364 -11.076 0.000) 11.160 10.715 ( 1.364 -11.076 0.000) 11.160 11.608 ( -1.534 9.398 0.000) 9.523 11.608 ( 1.534 9.398 0.000) 9.523 11.843 ( -0.627 5.086 0.000) 5.124 11.843 ( 0.627 5.086 0.000) 5.124 12.540 ( -1.750 0.323 0.000) 1.779 12.540 ( 1.750 0.323 0.000) 1.779 12.939 ( -0.347 -5.492 0.000) 5.503 12.939 ( 0.347 -5.492 0.000) 5.503 13.761 ( -1.335 -2.405 0.000) 2.750 13.761 ( 1.335 -2.405 0.000) 2.750 14.314 ( -2.043 -9.816 0.000) 10.026 14.314 ( 2.043 -9.816 0.000) 10.026 18.061 ( -14.140 12.850 0.000) 19.107 18.061 ( 14.140 12.850 0.000) 19.107 19.693 ( -19.029 37.186 0.000) 41.772 19.693 ( 19.029 37.186 0.000) 41.772 21.678 ( -4.906 -9.734 0.000) 10.900 21.678 ( 4.906 -9.734 0.000) 10.900 21.894 ( -0.226 -7.389 0.000) 7.393 21.894 ( 0.226 -7.389 0.000) 7.393 23.224 ( -2.255 12.429 0.000) 12.632 23.224 ( 2.255 12.429 0.000) 12.632 23.562 ( -1.882 22.977 0.000) 23.054 23.562 ( 1.882 22.977 0.000) 23.054 25.082 ( -2.927 1.866 0.000) 3.471 25.082 ( 2.927 1.866 0.000) 3.471 25.499 ( -0.898 -1.393 0.000) 1.657 25.499 ( 0.898 -1.393 0.000) 1.657 104.247 ( -2.123 -0.818 0.000) 2.275 104.247 ( 2.123 -0.818 0.000) 2.275 104.469 ( -2.679 -3.433 0.000) 4.355 104.469 ( 2.679 -3.433 0.000) 4.355 105.777 ( -0.876 -4.298 0.000) 4.387 105.777 ( 0.876 -4.298 0.000) 4.387 106.145 ( -8.185 -13.496 0.000) 15.784 106.145 ( 8.185 -13.496 0.000) 15.784 ======================= Grid point 15 (10/120) ======================= q-point: ( 0.00 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( 0.000 20.493 0.000) 20.493 1.729 ( 0.000 -1.510 0.000) 1.510 1.796 ( 0.000 22.821 0.000) 22.821 1.979 ( 0.000 19.838 0.000) 19.838 2.753 ( 0.000 17.040 0.000) 17.040 2.808 ( 0.000 15.516 0.000) 15.516 3.223 ( 0.000 20.238 0.000) 20.238 3.386 ( 0.000 13.314 0.000) 13.314 3.512 ( 0.000 5.164 0.000) 5.164 3.551 ( 0.000 6.915 0.000) 6.915 4.052 ( 0.000 21.063 0.000) 21.063 4.123 ( 0.000 21.772 0.000) 21.772 4.479 ( 0.000 -7.134 0.000) 7.134 4.487 ( 0.000 -1.903 0.000) 1.903 4.573 ( 0.000 -5.449 0.000) 5.449 4.634 ( 0.000 -1.867 0.000) 1.867 4.671 ( 0.000 21.913 0.000) 21.913 4.851 ( 0.000 18.221 0.000) 18.221 4.866 ( 0.000 20.792 0.000) 20.792 5.115 ( 0.000 10.544 0.000) 10.544 5.523 ( 0.000 -5.600 0.000) 5.600 5.526 ( 0.000 -4.034 0.000) 4.034 5.636 ( 0.000 -5.351 0.000) 5.351 5.671 ( 0.000 -12.281 0.000) 12.281 8.771 ( 0.000 -7.791 0.000) 7.791 8.787 ( 0.000 -4.994 0.000) 4.994 8.797 ( 0.000 -5.063 0.000) 5.063 8.810 ( 0.000 -5.912 0.000) 5.912 9.103 ( 0.000 -4.818 0.000) 4.818 9.139 ( 0.000 -3.494 0.000) 3.494 10.103 ( 0.000 6.192 0.000) 6.192 10.152 ( 0.000 9.714 0.000) 9.714 10.521 ( 0.000 -4.582 0.000) 4.582 10.553 ( 0.000 -6.612 0.000) 6.612 10.595 ( 0.000 13.571 0.000) 13.571 10.669 ( 0.000 -3.116 0.000) 3.116 11.766 ( 0.000 8.092 0.000) 8.092 11.846 ( 0.000 8.133 0.000) 8.133 11.941 ( 0.000 3.683 0.000) 3.683 11.955 ( 0.000 7.454 0.000) 7.454 12.581 ( 0.000 -1.525 0.000) 1.525 12.652 ( 0.000 4.249 0.000) 4.249 12.748 ( 0.000 -7.130 0.000) 7.130 12.874 ( 0.000 -2.446 0.000) 2.446 13.693 ( 0.000 -2.756 0.000) 2.756 13.727 ( 0.000 -4.061 0.000) 4.061 14.132 ( 0.000 -5.124 0.000) 5.124 14.150 ( 0.000 -7.910 0.000) 7.910 17.980 ( 0.000 14.226 0.000) 14.226 18.572 ( 0.000 11.556 0.000) 11.556 20.030 ( 0.000 16.472 0.000) 16.472 20.339 ( 0.000 -12.053 0.000) 12.053 21.419 ( 0.000 -5.432 0.000) 5.432 21.682 ( 0.000 -5.680 0.000) 5.680 21.854 ( 0.000 4.830 0.000) 4.830 22.037 ( 0.000 -2.018 0.000) 2.018 23.396 ( 0.000 8.153 0.000) 8.153 23.412 ( 0.000 3.252 0.000) 3.252 23.992 ( 0.000 14.863 0.000) 14.863 24.020 ( 0.000 23.153 0.000) 23.153 25.068 ( 0.000 7.701 0.000) 7.701 25.294 ( 0.000 9.778 0.000) 9.778 25.440 ( 0.000 -3.822 0.000) 3.822 25.539 ( 0.000 3.955 0.000) 3.955 104.218 ( 0.000 0.113 0.000) 0.113 104.273 ( 0.000 -0.661 0.000) 0.661 104.283 ( 0.000 -0.847 0.000) 0.847 104.461 ( 0.000 -2.168 0.000) 2.168 105.698 ( 0.000 -4.786 0.000) 4.786 105.713 ( 0.000 -3.735 0.000) 3.735 105.715 ( 0.000 -3.648 0.000) 3.648 106.014 ( 0.000 -12.779 0.000) 12.779 ======================= Grid point 16 (11/120) ======================= q-point: ( 0.25 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.304 ( 5.278 16.889 0.000) 17.694 1.640 ( -8.171 -0.290 0.000) 8.176 1.818 ( 2.442 24.906 0.000) 25.026 1.951 ( -2.650 20.686 0.000) 20.855 2.785 ( 2.346 15.627 0.000) 15.802 2.815 ( 0.550 15.075 0.000) 15.085 3.255 ( 2.926 19.485 0.000) 19.703 3.371 ( -1.558 14.693 0.000) 14.775 3.516 ( 0.351 5.452 0.000) 5.463 3.542 ( -0.780 6.757 0.000) 6.801 4.065 ( 1.143 20.772 0.000) 20.804 4.114 ( -0.825 20.969 0.000) 20.986 4.491 ( 0.998 -6.297 0.000) 6.376 4.497 ( 0.748 -2.522 0.000) 2.630 4.578 ( 0.546 -5.312 0.000) 5.340 4.612 ( -1.087 0.238 0.000) 1.113 4.718 ( 3.918 18.033 0.000) 18.454 4.849 ( -0.140 19.239 0.000) 19.240 4.860 ( -0.529 20.738 0.000) 20.744 5.011 ( -8.560 13.790 0.000) 16.230 5.498 ( 0.398 -5.702 0.000) 5.716 5.583 ( -3.207 -6.537 0.000) 7.281 5.621 ( 5.062 -6.674 0.000) 8.376 5.704 ( 1.190 -10.654 0.000) 10.721 8.760 ( -0.623 -4.981 0.000) 5.020 8.772 ( -1.341 -3.644 0.000) 3.883 8.800 ( 0.882 -7.549 0.000) 7.601 8.821 ( 0.246 -7.732 0.000) 7.736 9.112 ( 0.705 -4.591 0.000) 4.645 9.136 ( -0.327 -3.774 0.000) 3.788 10.110 ( 0.607 6.820 0.000) 6.847 10.144 ( -0.739 9.288 0.000) 9.317 10.527 ( 0.573 -4.816 0.000) 4.850 10.550 ( -0.326 -6.284 0.000) 6.292 10.611 ( 1.399 11.111 0.000) 11.198 10.663 ( -0.672 -0.752 0.000) 1.009 11.772 ( 0.622 7.909 0.000) 7.934 11.825 ( -1.651 7.629 0.000) 7.806 11.953 ( 0.898 4.587 0.000) 4.674 11.962 ( 0.476 7.079 0.000) 7.095 12.561 ( -1.073 -0.526 0.000) 1.195 12.620 ( -2.800 4.121 0.000) 4.982 12.781 ( 2.530 -6.079 0.000) 6.585 12.863 ( -1.095 -3.044 0.000) 3.235 13.694 ( 0.204 -2.787 0.000) 2.795 13.719 ( -0.717 -3.761 0.000) 3.829 14.137 ( 0.406 -5.670 0.000) 5.685 14.149 ( -0.086 -7.591 0.000) 7.592 18.081 ( 9.426 13.279 0.000) 16.284 18.506 ( -6.661 11.104 0.000) 12.948 20.051 ( 2.264 14.529 0.000) 14.704 20.268 ( -6.303 -5.736 0.000) 8.522 21.446 ( 2.764 -5.056 0.000) 5.762 21.643 ( -4.130 -5.921 0.000) 7.218 21.855 ( 0.210 4.773 0.000) 4.778 21.952 ( -5.981 2.564 0.000) 6.507 23.396 ( -0.007 7.334 0.000) 7.334 23.407 ( -0.429 3.916 0.000) 3.940 24.001 ( 0.710 16.302 0.000) 16.317 24.019 ( -0.072 22.111 0.000) 22.111 25.100 ( 2.918 7.041 0.000) 7.621 25.253 ( -3.458 7.688 0.000) 8.430 25.461 ( 1.635 -1.166 0.000) 2.008 25.524 ( -1.254 3.407 0.000) 3.630 104.214 ( 0.383 0.160 0.000) 0.415 104.268 ( -1.371 -0.656 0.000) 1.519 104.329 ( 4.101 -1.886 0.000) 4.514 104.449 ( -1.306 -2.430 0.000) 2.758 105.689 ( -0.375 -3.540 0.000) 3.559 105.695 ( -0.275 -4.572 0.000) 4.580 105.792 ( 5.226 -6.267 0.000) 8.160 105.986 ( -2.807 -12.228 0.000) 12.546 ======================= Grid point 17 (12/120) ======================= q-point: (-0.50 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( -9.134 8.366 0.000) 12.387 1.454 ( 9.134 8.366 0.000) 12.387 1.884 ( -3.674 22.841 0.000) 23.135 1.884 ( 3.674 22.841 0.000) 23.135 2.818 ( -0.628 14.571 0.000) 14.585 2.818 ( 0.628 14.571 0.000) 14.585 3.322 ( -3.187 17.417 0.000) 17.706 3.322 ( 3.187 17.417 0.000) 17.706 3.526 ( -0.699 6.173 0.000) 6.212 3.526 ( 0.699 6.173 0.000) 6.212 4.091 ( -1.331 20.358 0.000) 20.401 4.091 ( 1.331 20.358 0.000) 20.401 4.505 ( -0.150 -4.145 0.000) 4.147 4.505 ( 0.150 -4.145 0.000) 4.147 4.594 ( -0.879 -3.944 0.000) 4.040 4.594 ( 0.879 -3.944 0.000) 4.040 4.833 ( -6.961 17.201 0.000) 18.556 4.833 ( 6.961 17.201 0.000) 18.556 4.852 ( -1.207 20.859 0.000) 20.894 4.852 ( 1.207 20.859 0.000) 20.894 5.526 ( -2.257 -6.062 0.000) 6.469 5.526 ( 2.257 -6.062 0.000) 6.469 5.697 ( -2.132 -9.538 0.000) 9.773 5.697 ( 2.132 -9.538 0.000) 9.773 8.755 ( -0.253 -3.449 0.000) 3.458 8.755 ( 0.253 -3.449 0.000) 3.458 8.816 ( -0.642 -8.557 0.000) 8.581 8.816 ( 0.642 -8.557 0.000) 8.581 9.126 ( -0.653 -4.233 0.000) 4.283 9.126 ( 0.653 -4.233 0.000) 4.283 10.126 ( -0.971 8.159 0.000) 8.217 10.126 ( 0.971 8.159 0.000) 8.217 10.540 ( -0.645 -5.509 0.000) 5.547 10.540 ( 0.645 -5.509 0.000) 5.547 10.642 ( -1.417 5.129 0.000) 5.321 10.642 ( 1.417 5.129 0.000) 5.321 11.792 ( -1.425 7.575 0.000) 7.708 11.792 ( 1.425 7.575 0.000) 7.708 11.966 ( -0.213 5.915 0.000) 5.919 11.966 ( 0.213 5.915 0.000) 5.919 12.566 ( -1.812 2.385 0.000) 2.995 12.566 ( 1.812 2.385 0.000) 2.995 12.830 ( -2.130 -4.448 0.000) 4.931 12.830 ( 2.130 -4.448 0.000) 4.931 13.704 ( -0.710 -3.153 0.000) 3.232 13.704 ( 0.710 -3.153 0.000) 3.232 14.145 ( -0.312 -6.737 0.000) 6.744 14.145 ( 0.312 -6.737 0.000) 6.744 18.312 ( -11.911 11.452 0.000) 16.523 18.312 ( 11.911 11.452 0.000) 16.523 20.133 ( -5.982 6.907 0.000) 9.137 20.133 ( 5.982 6.907 0.000) 9.137 21.532 ( -5.674 -4.842 0.000) 7.460 21.532 ( 5.674 -4.842 0.000) 7.460 21.872 ( -1.893 4.802 0.000) 5.161 21.872 ( 1.893 4.802 0.000) 5.161 23.398 ( -0.309 5.552 0.000) 5.561 23.398 ( 0.309 5.552 0.000) 5.561 24.014 ( -0.487 19.407 0.000) 19.413 24.014 ( 0.487 19.407 0.000) 19.413 25.174 ( -4.117 6.503 0.000) 7.697 25.174 ( 4.117 6.503 0.000) 7.697 25.494 ( -1.630 1.683 0.000) 2.343 25.494 ( 1.630 1.683 0.000) 2.343 104.236 ( -1.617 -0.231 0.000) 1.633 104.236 ( 1.617 -0.231 0.000) 1.633 104.405 ( -3.090 -2.703 0.000) 4.105 104.405 ( 3.090 -2.703 0.000) 4.105 105.689 ( -0.237 -4.060 0.000) 4.067 105.689 ( 0.237 -4.060 0.000) 4.067 105.903 ( -5.252 -10.065 0.000) 11.352 105.903 ( 5.252 -10.065 0.000) 11.352 ======================= Grid point 20 (13/120) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( 0.000 17.500 0.000) 17.500 1.672 ( 0.000 -0.952 0.000) 0.952 2.305 ( 0.000 23.559 0.000) 23.559 2.395 ( 0.000 20.143 0.000) 20.143 2.818 ( 0.000 -5.308 0.000) 5.308 2.858 ( 0.000 -3.487 0.000) 3.487 3.633 ( 0.000 9.308 0.000) 9.308 3.634 ( 0.000 6.811 0.000) 6.811 3.815 ( 0.000 24.227 0.000) 24.227 3.947 ( 0.000 31.679 0.000) 31.679 4.303 ( 0.000 0.447 0.000) 0.447 4.319 ( 0.000 -8.454 0.000) 8.454 4.421 ( 0.000 -9.143 0.000) 9.143 4.538 ( 0.000 17.580 0.000) 17.580 4.543 ( 0.000 -4.775 0.000) 4.775 4.604 ( 0.000 15.452 0.000) 15.452 5.057 ( 0.000 14.090 0.000) 14.090 5.244 ( 0.000 -0.088 0.000) 0.088 5.265 ( 0.000 17.994 0.000) 17.994 5.273 ( 0.000 17.614 0.000) 17.614 5.437 ( 0.000 -4.147 0.000) 4.147 5.461 ( 0.000 -7.332 0.000) 7.332 5.504 ( 0.000 5.676 0.000) 5.676 5.567 ( 0.000 -0.225 0.000) 0.225 8.560 ( 0.000 -13.873 0.000) 13.873 8.576 ( 0.000 -10.153 0.000) 10.153 8.584 ( 0.000 -11.678 0.000) 11.678 8.657 ( 0.000 -8.576 0.000) 8.576 9.181 ( 0.000 8.989 0.000) 8.989 9.214 ( 0.000 8.343 0.000) 8.343 10.238 ( 0.000 6.524 0.000) 6.524 10.319 ( 0.000 6.035 0.000) 6.035 10.466 ( 0.000 -2.086 0.000) 2.086 10.485 ( 0.000 0.899 0.000) 0.899 10.581 ( 0.000 -5.429 0.000) 5.429 10.765 ( 0.000 3.484 0.000) 3.484 11.876 ( 0.000 1.857 0.000) 1.857 11.972 ( 0.000 3.595 0.000) 3.595 11.980 ( 0.000 -0.300 0.000) 0.300 12.043 ( 0.000 -1.106 0.000) 1.106 12.578 ( 0.000 2.080 0.000) 2.080 12.706 ( 0.000 4.265 0.000) 4.265 12.718 ( 0.000 2.845 0.000) 2.845 12.873 ( 0.000 2.698 0.000) 2.698 13.629 ( 0.000 -3.253 0.000) 3.253 13.638 ( 0.000 -4.391 0.000) 4.391 14.017 ( 0.000 -5.353 0.000) 5.353 14.033 ( 0.000 -4.556 0.000) 4.556 18.266 ( 0.000 13.740 0.000) 13.740 18.802 ( 0.000 10.421 0.000) 10.421 20.079 ( 0.000 -12.702 0.000) 12.702 20.118 ( 0.000 -5.414 0.000) 5.414 21.365 ( 0.000 0.035 0.000) 0.035 21.611 ( 0.000 -1.383 0.000) 1.383 21.998 ( 0.000 -2.073 0.000) 2.073 22.019 ( 0.000 7.410 0.000) 7.410 23.495 ( 0.000 6.253 0.000) 6.253 23.549 ( 0.000 6.937 0.000) 6.937 24.197 ( 0.000 5.214 0.000) 5.214 24.409 ( 0.000 13.092 0.000) 13.092 25.284 ( 0.000 12.428 0.000) 12.428 25.401 ( 0.000 1.240 0.000) 1.240 25.525 ( 0.000 11.702 0.000) 11.702 25.641 ( 0.000 5.678 0.000) 5.678 104.221 ( 0.000 0.161 0.000) 0.161 104.260 ( 0.000 -0.615 0.000) 0.615 104.273 ( 0.000 -0.167 0.000) 0.167 104.414 ( 0.000 -2.343 0.000) 2.343 105.607 ( 0.000 -3.945 0.000) 3.945 105.635 ( 0.000 -3.603 0.000) 3.603 105.639 ( 0.000 -3.529 0.000) 3.529 105.776 ( 0.000 -9.959 0.000) 9.959 ======================= Grid point 21 (14/120) ======================= q-point: ( 0.25 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( -0.161 15.502 0.000) 15.503 1.661 ( -0.908 2.574 0.000) 2.730 2.316 ( 1.090 22.960 0.000) 22.986 2.379 ( -1.404 20.510 0.000) 20.558 2.832 ( 1.189 -5.216 0.000) 5.350 2.861 ( 0.134 -4.128 0.000) 4.131 3.635 ( 0.169 8.561 0.000) 8.563 3.636 ( 0.117 6.853 0.000) 6.854 3.841 ( 2.250 25.445 0.000) 25.545 3.931 ( -1.504 30.719 0.000) 30.756 4.309 ( 0.393 -0.621 0.000) 0.735 4.315 ( -0.240 -6.881 0.000) 6.885 4.433 ( 1.303 -8.175 0.000) 8.278 4.522 ( -1.945 -4.882 0.000) 5.255 4.549 ( 1.053 16.219 0.000) 16.253 4.597 ( -0.746 14.996 0.000) 15.015 5.080 ( 2.299 13.173 0.000) 13.372 5.218 ( -2.676 3.487 0.000) 4.396 5.263 ( -0.201 17.683 0.000) 17.684 5.266 ( -0.587 17.203 0.000) 17.213 5.422 ( -0.393 -1.415 0.000) 1.468 5.451 ( -0.864 -5.475 0.000) 5.543 5.533 ( 1.855 0.875 0.000) 2.051 5.568 ( 0.004 -1.318 0.000) 1.318 8.564 ( 0.340 -13.575 0.000) 13.579 8.574 ( -0.081 -11.804 0.000) 11.804 8.593 ( 0.711 -9.993 0.000) 10.018 8.643 ( -1.303 -8.612 0.000) 8.710 9.184 ( 0.286 8.677 0.000) 8.682 9.207 ( -0.642 8.281 0.000) 8.306 10.254 ( 1.372 6.688 0.000) 6.827 10.310 ( -0.893 6.221 0.000) 6.285 10.471 ( 0.417 -1.682 0.000) 1.733 10.485 ( -0.099 0.485 0.000) 0.495 10.606 ( 2.356 -4.447 0.000) 5.033 10.737 ( -2.690 1.853 0.000) 3.267 11.874 ( 0.025 1.358 0.000) 1.358 11.923 ( -2.418 1.306 0.000) 2.748 12.022 ( 1.801 1.673 0.000) 2.458 12.048 ( 0.283 -0.232 0.000) 0.366 12.591 ( 1.508 3.263 0.000) 3.595 12.694 ( -2.243 3.257 0.000) 3.955 12.737 ( 2.711 3.404 0.000) 4.352 12.852 ( -1.997 2.725 0.000) 3.379 13.629 ( 0.019 -3.350 0.000) 3.350 13.636 ( -0.212 -4.167 0.000) 4.172 14.019 ( 0.256 -5.293 0.000) 5.299 14.031 ( -0.203 -4.734 0.000) 4.738 18.348 ( 7.685 12.799 0.000) 14.929 18.728 ( -7.036 10.280 0.000) 12.457 20.082 ( 0.341 -11.062 0.000) 11.067 20.110 ( -0.699 -5.998 0.000) 6.039 21.394 ( 2.821 -0.137 0.000) 2.824 21.568 ( -3.981 -1.466 0.000) 4.242 21.993 ( -0.233 0.671 0.000) 0.710 22.011 ( -0.709 6.790 0.000) 6.827 23.497 ( 0.251 6.227 0.000) 6.232 23.533 ( -1.296 6.644 0.000) 6.770 24.238 ( 3.593 6.443 0.000) 7.377 24.386 ( -2.321 11.974 0.000) 12.197 25.296 ( 1.186 11.406 0.000) 11.468 25.375 ( -2.143 4.487 0.000) 4.972 25.548 ( 1.897 9.295 0.000) 9.486 25.626 ( -1.442 6.063 0.000) 6.232 104.219 ( 0.323 0.338 0.000) 0.467 104.262 ( -1.063 -0.037 0.000) 1.064 104.296 ( 2.841 -1.349 0.000) 3.145 104.399 ( -1.499 -2.362 0.000) 2.797 105.608 ( 0.086 -3.789 0.000) 3.790 105.619 ( -0.569 -3.204 0.000) 3.254 105.674 ( 2.258 -5.105 0.000) 5.582 105.762 ( -1.411 -9.301 0.000) 9.407 ======================= Grid point 22 (15/120) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( -0.402 9.786 0.000) 9.794 1.646 ( 0.402 9.786 0.000) 9.794 2.346 ( -1.728 21.627 0.000) 21.696 2.346 ( 1.728 21.627 0.000) 21.696 2.855 ( -0.830 -4.925 0.000) 4.994 2.855 ( 0.830 -4.925 0.000) 4.994 3.637 ( -0.006 7.358 0.000) 7.358 3.637 ( 0.006 7.358 0.000) 7.358 3.891 ( -2.430 28.250 0.000) 28.354 3.891 ( 2.430 28.250 0.000) 28.354 4.313 ( -0.025 -3.786 0.000) 3.786 4.313 ( 0.025 -3.786 0.000) 3.786 4.474 ( -2.525 -5.927 0.000) 6.443 4.474 ( 2.525 -5.927 0.000) 6.443 4.575 ( -1.350 14.747 0.000) 14.809 4.575 ( 1.350 14.747 0.000) 14.809 5.145 ( -3.913 9.857 0.000) 10.606 5.145 ( 3.913 9.857 0.000) 10.606 5.260 ( -0.002 16.912 0.000) 16.912 5.260 ( 0.002 16.912 0.000) 16.912 5.431 ( -0.987 -2.561 0.000) 2.745 5.431 ( 0.987 -2.561 0.000) 2.745 5.561 ( -0.830 -1.768 0.000) 1.953 5.561 ( 0.830 -1.768 0.000) 1.953 8.571 ( -0.285 -12.955 0.000) 12.958 8.571 ( 0.285 -12.955 0.000) 12.958 8.614 ( -1.371 -8.894 0.000) 8.999 8.614 ( 1.371 -8.894 0.000) 8.999 9.193 ( -0.624 8.300 0.000) 8.323 9.193 ( 0.624 8.300 0.000) 8.323 10.285 ( -1.522 6.612 0.000) 6.785 10.285 ( 1.522 6.612 0.000) 6.785 10.480 ( -0.394 -0.579 0.000) 0.701 10.480 ( 0.394 -0.579 0.000) 0.701 10.669 ( -3.651 -1.628 0.000) 3.998 10.669 ( 3.651 -1.628 0.000) 3.998 11.885 ( -1.197 0.974 0.000) 1.543 11.885 ( 1.197 0.974 0.000) 1.543 12.046 ( -0.561 1.124 0.000) 1.256 12.046 ( 0.561 1.124 0.000) 1.256 12.638 ( -2.944 3.903 0.000) 4.889 12.638 ( 2.944 3.903 0.000) 4.889 12.799 ( -3.127 2.787 0.000) 4.189 12.799 ( 3.127 2.787 0.000) 4.189 13.631 ( -0.178 -3.696 0.000) 3.701 13.631 ( 0.178 -3.696 0.000) 3.701 14.026 ( -0.329 -5.071 0.000) 5.082 14.026 ( 0.329 -5.071 0.000) 5.082 18.542 ( -10.548 11.011 0.000) 15.248 18.542 ( 10.548 11.011 0.000) 15.248 20.094 ( -0.794 -8.001 0.000) 8.040 20.094 ( 0.794 -8.001 0.000) 8.040 21.473 ( -4.818 -0.806 0.000) 4.885 21.473 ( 4.818 -0.806 0.000) 4.885 21.996 ( -0.552 4.645 0.000) 4.678 21.996 ( 0.552 4.645 0.000) 4.678 23.509 ( -0.944 6.292 0.000) 6.362 23.509 ( 0.944 6.292 0.000) 6.362 24.320 ( -4.037 9.249 0.000) 10.092 24.320 ( 4.037 9.249 0.000) 10.092 25.330 ( -2.073 8.587 0.000) 8.834 25.330 ( 2.073 8.587 0.000) 8.834 25.589 ( -2.060 7.139 0.000) 7.430 25.589 ( 2.060 7.139 0.000) 7.430 104.236 ( -1.251 0.226 0.000) 1.271 104.236 ( 1.251 0.226 0.000) 1.271 104.355 ( -2.742 -2.146 0.000) 3.482 104.355 ( 2.742 -2.146 0.000) 3.482 105.611 ( -0.242 -3.441 0.000) 3.449 105.611 ( 0.242 -3.441 0.000) 3.449 105.722 ( -2.372 -7.443 0.000) 7.811 105.722 ( 2.372 -7.443 0.000) 7.811 ======================= Grid point 25 (16/120) ======================= q-point: ( 0.00 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( 0.000 4.618 0.000) 4.618 1.967 ( 0.000 13.389 0.000) 13.389 2.687 ( 0.000 -6.844 0.000) 6.844 2.700 ( 0.000 -10.834 0.000) 10.834 2.768 ( 0.000 21.157 0.000) 21.157 2.809 ( 0.000 19.702 0.000) 19.702 3.792 ( 0.000 8.252 0.000) 8.252 3.800 ( 0.000 7.552 0.000) 7.552 4.116 ( 0.000 -10.418 0.000) 10.418 4.195 ( 0.000 -12.417 0.000) 12.417 4.252 ( 0.000 -3.576 0.000) 3.576 4.280 ( 0.000 16.388 0.000) 16.388 4.457 ( 0.000 -1.089 0.000) 1.089 4.557 ( 0.000 25.265 0.000) 25.265 4.834 ( 0.000 10.922 0.000) 10.922 4.929 ( 0.000 13.693 0.000) 13.693 5.196 ( 0.000 -2.472 0.000) 2.472 5.210 ( 0.000 1.415 0.000) 1.415 5.295 ( 0.000 -5.225 0.000) 5.225 5.331 ( 0.000 -4.550 0.000) 4.550 5.605 ( 0.000 12.690 0.000) 12.690 5.632 ( 0.000 13.556 0.000) 13.556 5.660 ( 0.000 8.214 0.000) 8.214 5.670 ( 0.000 8.160 0.000) 8.160 8.306 ( 0.000 -9.881 0.000) 9.881 8.367 ( 0.000 -8.719 0.000) 8.719 8.379 ( 0.000 -8.392 0.000) 8.392 8.467 ( 0.000 -9.385 0.000) 9.385 9.410 ( 0.000 12.590 0.000) 12.590 9.434 ( 0.000 12.383 0.000) 12.383 10.342 ( 0.000 1.087 0.000) 1.087 10.376 ( 0.000 -1.280 0.000) 1.280 10.454 ( 0.000 0.645 0.000) 0.645 10.462 ( 0.000 -3.957 0.000) 3.957 10.543 ( 0.000 4.229 0.000) 4.229 10.787 ( 0.000 -0.261 0.000) 0.261 11.849 ( 0.000 -3.507 0.000) 3.507 11.936 ( 0.000 -7.238 0.000) 7.238 11.936 ( 0.000 -3.316 0.000) 3.316 11.989 ( 0.000 -1.704 0.000) 1.704 12.673 ( 0.000 6.500 0.000) 6.500 12.794 ( 0.000 4.690 0.000) 4.690 12.867 ( 0.000 8.673 0.000) 8.673 12.970 ( 0.000 5.612 0.000) 5.612 13.559 ( 0.000 -2.672 0.000) 2.672 13.569 ( 0.000 -2.077 0.000) 2.077 13.912 ( 0.000 -5.058 0.000) 5.058 13.936 ( 0.000 -5.094 0.000) 5.094 18.562 ( 0.000 15.006 0.000) 15.006 19.003 ( 0.000 9.170 0.000) 9.170 19.822 ( 0.000 -12.029 0.000) 12.029 19.904 ( 0.000 -13.705 0.000) 13.705 21.413 ( 0.000 4.464 0.000) 4.464 21.615 ( 0.000 1.592 0.000) 1.592 21.941 ( 0.000 -3.520 0.000) 3.520 22.066 ( 0.000 -3.067 0.000) 3.067 23.693 ( 0.000 12.243 0.000) 12.243 23.697 ( 0.000 7.546 0.000) 7.546 24.233 ( 0.000 -1.187 0.000) 1.187 24.528 ( 0.000 -1.069 0.000) 1.069 25.518 ( 0.000 9.362 0.000) 9.362 25.543 ( 0.000 11.647 0.000) 11.647 25.746 ( 0.000 8.960 0.000) 8.960 25.758 ( 0.000 5.167 0.000) 5.167 104.224 ( 0.000 0.191 0.000) 0.191 104.248 ( 0.000 -0.489 0.000) 0.489 104.275 ( 0.000 0.264 0.000) 0.264 104.367 ( 0.000 -2.151 0.000) 2.151 105.536 ( 0.000 -2.892 0.000) 2.892 105.568 ( 0.000 -2.769 0.000) 2.769 105.573 ( 0.000 -2.782 0.000) 2.782 105.607 ( 0.000 -6.355 0.000) 6.355 ======================= Grid point 26 (17/120) ======================= q-point: ( 0.25 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( 4.000 6.249 0.000) 7.419 1.934 ( -3.188 12.394 0.000) 12.797 2.683 ( -0.318 -5.930 0.000) 5.939 2.689 ( -0.743 -6.896 0.000) 6.936 2.784 ( 1.211 17.407 0.000) 17.450 2.810 ( 0.012 18.258 0.000) 18.258 3.792 ( -0.019 8.106 0.000) 8.106 3.797 ( -0.234 7.593 0.000) 7.597 4.125 ( 0.814 -10.762 0.000) 10.793 4.173 ( -1.487 -10.880 0.000) 10.981 4.283 ( 2.305 -4.749 0.000) 5.279 4.304 ( 1.941 13.102 0.000) 13.245 4.450 ( -0.376 3.139 0.000) 3.161 4.529 ( -2.572 24.261 0.000) 24.397 4.843 ( 0.967 11.211 0.000) 11.253 4.911 ( -1.632 13.083 0.000) 13.184 5.203 ( 0.592 -2.000 0.000) 2.086 5.213 ( 0.198 0.799 0.000) 0.823 5.303 ( 0.627 -5.004 0.000) 5.043 5.327 ( -0.394 -4.459 0.000) 4.477 5.601 ( -0.227 12.401 0.000) 12.403 5.619 ( -0.983 12.585 0.000) 12.623 5.666 ( 0.364 9.166 0.000) 9.173 5.671 ( 0.090 8.727 0.000) 8.728 8.314 ( 0.813 -9.722 0.000) 9.756 8.352 ( -0.898 -8.863 0.000) 8.908 8.397 ( 1.215 -8.554 0.000) 8.640 8.454 ( -1.237 -9.215 0.000) 9.298 9.410 ( 0.013 12.562 0.000) 12.562 9.427 ( -0.617 12.425 0.000) 12.440 10.348 ( 0.455 0.037 0.000) 0.457 10.371 ( -0.477 -1.225 0.000) 1.315 10.466 ( 1.490 0.915 0.000) 1.749 10.511 ( 4.285 -2.520 0.000) 4.971 10.532 ( -1.048 3.683 0.000) 3.830 10.737 ( -4.616 -0.601 0.000) 4.655 11.841 ( -0.179 -3.470 0.000) 3.475 11.899 ( -2.553 -2.671 0.000) 3.695 11.966 ( 2.279 -6.265 0.000) 6.666 12.007 ( 0.772 -3.045 0.000) 3.141 12.689 ( 1.577 6.251 0.000) 6.446 12.775 ( -1.762 4.944 0.000) 5.249 12.885 ( 1.606 8.189 0.000) 8.345 12.957 ( -1.229 6.030 0.000) 6.153 13.560 ( 0.114 -2.552 0.000) 2.555 13.568 ( -0.170 -2.127 0.000) 2.134 13.915 ( 0.297 -5.074 0.000) 5.083 13.932 ( -0.353 -5.100 0.000) 5.112 18.624 ( 5.858 14.006 0.000) 15.181 18.935 ( -6.365 9.805 0.000) 11.690 19.838 ( 1.473 -12.114 0.000) 12.203 19.896 ( -0.848 -13.358 0.000) 13.385 21.436 ( 2.192 4.064 0.000) 4.618 21.575 ( -3.504 1.968 0.000) 4.019 21.967 ( 2.169 -3.213 0.000) 3.877 22.051 ( -1.369 -2.990 0.000) 3.289 23.687 ( -0.459 11.660 0.000) 11.669 23.688 ( -0.651 8.353 0.000) 8.379 24.285 ( 4.676 -1.237 0.000) 4.837 24.491 ( -3.545 -1.141 0.000) 3.724 25.523 ( 0.403 9.680 0.000) 9.688 25.540 ( -0.265 11.304 0.000) 11.307 25.746 ( 0.040 8.462 0.000) 8.462 25.754 ( -0.306 5.775 0.000) 5.783 104.227 ( 0.456 0.374 0.000) 0.589 104.265 ( -0.890 0.324 0.000) 0.947 104.272 ( 1.958 -0.980 0.000) 2.189 104.353 ( -1.353 -2.045 0.000) 2.452 105.540 ( 0.323 -2.798 0.000) 2.817 105.559 ( -0.544 -2.506 0.000) 2.564 105.583 ( 0.611 -3.621 0.000) 3.672 105.604 ( -0.315 -5.942 0.000) 5.951 ======================= Grid point 27 (18/120) ======================= q-point: (-0.50 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( -5.050 9.636 0.000) 10.879 1.848 ( 5.050 9.636 0.000) 10.879 2.680 ( -0.094 -5.171 0.000) 5.172 2.680 ( 0.094 -5.171 0.000) 5.172 2.804 ( -0.656 16.420 0.000) 16.433 2.804 ( 0.656 16.420 0.000) 16.433 3.793 ( -0.139 7.797 0.000) 7.799 3.793 ( 0.139 7.797 0.000) 7.799 4.145 ( -1.182 -10.744 0.000) 10.809 4.145 ( 1.182 -10.744 0.000) 10.809 4.321 ( -0.862 -0.423 0.000) 0.961 4.321 ( 0.862 -0.423 0.000) 0.961 4.469 ( -2.611 18.198 0.000) 18.385 4.469 ( 2.611 18.198 0.000) 18.385 4.873 ( -1.889 11.995 0.000) 12.143 4.873 ( 1.889 11.995 0.000) 12.143 5.213 ( -0.266 -0.715 0.000) 0.763 5.213 ( 0.266 -0.715 0.000) 0.763 5.316 ( -0.649 -4.531 0.000) 4.578 5.316 ( 0.649 -4.531 0.000) 4.578 5.603 ( -0.465 12.242 0.000) 12.251 5.603 ( 0.465 12.242 0.000) 12.251 5.671 ( -0.110 9.319 0.000) 9.320 5.671 ( 0.110 9.319 0.000) 9.320 8.334 ( -0.978 -9.318 0.000) 9.369 8.334 ( 0.978 -9.318 0.000) 9.369 8.424 ( -1.499 -8.849 0.000) 8.975 8.424 ( 1.499 -8.849 0.000) 8.975 9.414 ( -0.467 12.501 0.000) 12.510 9.414 ( 0.467 12.501 0.000) 12.510 10.359 ( -0.623 -0.940 0.000) 1.128 10.359 ( 0.623 -0.940 0.000) 1.128 10.502 ( -1.826 2.397 0.000) 3.013 10.502 ( 1.826 2.397 0.000) 3.013 10.622 ( -6.222 -1.392 0.000) 6.376 10.622 ( 6.222 -1.392 0.000) 6.376 11.855 ( -1.549 -2.887 0.000) 3.276 11.855 ( 1.549 -2.887 0.000) 3.276 12.004 ( -1.135 -4.686 0.000) 4.821 12.004 ( 1.135 -4.686 0.000) 4.821 12.731 ( -2.379 5.594 0.000) 6.079 12.731 ( 2.379 5.594 0.000) 6.079 12.923 ( -2.007 7.080 0.000) 7.359 12.923 ( 2.007 7.080 0.000) 7.359 13.564 ( -0.198 -2.305 0.000) 2.313 13.564 ( 0.198 -2.305 0.000) 2.313 13.923 ( -0.460 -5.098 0.000) 5.119 13.923 ( 0.460 -5.098 0.000) 5.119 18.776 ( -8.568 11.739 0.000) 14.533 18.776 ( 8.568 11.739 0.000) 14.533 19.871 ( -1.551 -12.619 0.000) 12.714 19.871 ( 1.551 -12.619 0.000) 12.714 21.497 ( -3.772 3.035 0.000) 4.841 21.497 ( 3.772 3.035 0.000) 4.841 22.014 ( -2.271 -2.942 0.000) 3.717 22.014 ( 2.271 -2.942 0.000) 3.717 23.681 ( -0.053 10.117 0.000) 10.117 23.681 ( 0.053 10.117 0.000) 10.117 24.395 ( -5.631 -1.247 0.000) 5.767 24.395 ( 5.631 -1.247 0.000) 5.767 25.532 ( -0.482 10.477 0.000) 10.488 25.532 ( 0.482 10.477 0.000) 10.488 25.748 ( -0.232 7.175 0.000) 7.179 25.748 ( 0.232 7.175 0.000) 7.179 104.243 ( -1.105 0.421 0.000) 1.182 104.243 ( 1.105 0.421 0.000) 1.182 104.316 ( -2.181 -1.655 0.000) 2.738 104.316 ( 2.181 -1.655 0.000) 2.738 105.548 ( -0.515 -2.599 0.000) 2.649 105.548 ( 0.515 -2.599 0.000) 2.649 105.595 ( -0.558 -4.869 0.000) 4.901 105.595 ( 0.558 -4.869 0.000) 4.901 ======================= Grid point 30 (19/120) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.866 ( 0.000 10.571 0.000) 10.571 2.206 ( 0.000 9.888 0.000) 9.888 2.433 ( 0.000 -14.367 0.000) 14.367 2.542 ( 0.000 -7.167 0.000) 7.167 3.183 ( 0.000 18.919 0.000) 18.919 3.206 ( 0.000 18.559 0.000) 18.559 3.864 ( 0.000 -13.705 0.000) 13.705 3.905 ( 0.000 -13.788 0.000) 13.788 3.951 ( 0.000 5.373 0.000) 5.373 3.967 ( 0.000 8.427 0.000) 8.427 4.171 ( 0.000 -4.219 0.000) 4.219 4.284 ( 0.000 -6.378 0.000) 6.378 4.709 ( 0.000 15.296 0.000) 15.296 4.970 ( 0.000 14.203 0.000) 14.203 4.993 ( 0.000 4.305 0.000) 4.305 5.137 ( 0.000 5.743 0.000) 5.743 5.171 ( 0.000 0.275 0.000) 0.275 5.181 ( 0.000 -3.064 0.000) 3.064 5.209 ( 0.000 -3.239 0.000) 3.239 5.244 ( 0.000 -3.398 0.000) 3.398 5.802 ( 0.000 6.200 0.000) 6.200 5.809 ( 0.000 4.943 0.000) 4.943 5.826 ( 0.000 6.481 0.000) 6.481 5.843 ( 0.000 6.554 0.000) 6.554 8.168 ( 0.000 -3.248 0.000) 3.248 8.233 ( 0.000 -4.262 0.000) 4.262 8.242 ( 0.000 -4.636 0.000) 4.636 8.286 ( 0.000 -7.648 0.000) 7.648 9.686 ( 0.000 13.648 0.000) 13.648 9.713 ( 0.000 14.279 0.000) 14.279 10.208 ( 0.000 -10.475 0.000) 10.475 10.258 ( 0.000 -9.619 0.000) 9.619 10.480 ( 0.000 1.515 0.000) 1.515 10.483 ( 0.000 2.237 0.000) 2.237 10.642 ( 0.000 4.947 0.000) 4.947 10.776 ( 0.000 -1.027 0.000) 1.027 11.772 ( 0.000 -3.127 0.000) 3.127 11.801 ( 0.000 -5.041 0.000) 5.041 11.875 ( 0.000 -1.953 0.000) 1.953 11.927 ( 0.000 -3.510 0.000) 3.510 12.818 ( 0.000 6.974 0.000) 6.974 12.906 ( 0.000 5.751 0.000) 5.751 12.984 ( 0.000 1.662 0.000) 1.662 13.052 ( 0.000 1.212 0.000) 1.212 13.558 ( 0.000 2.987 0.000) 2.987 13.571 ( 0.000 2.817 0.000) 2.817 13.798 ( 0.000 -6.020 0.000) 6.020 13.817 ( 0.000 -6.396 0.000) 6.396 18.888 ( 0.000 16.452 0.000) 16.452 19.188 ( 0.000 8.826 0.000) 8.826 19.585 ( 0.000 -10.753 0.000) 10.753 19.587 ( 0.000 -16.433 0.000) 16.433 21.543 ( 0.000 7.858 0.000) 7.858 21.670 ( 0.000 3.549 0.000) 3.549 21.855 ( 0.000 -4.651 0.000) 4.651 21.929 ( 0.000 -8.999 0.000) 8.999 23.862 ( 0.000 8.278 0.000) 8.278 23.963 ( 0.000 13.045 0.000) 13.045 24.164 ( 0.000 -5.170 0.000) 5.170 24.420 ( 0.000 -8.194 0.000) 8.194 25.726 ( 0.000 9.279 0.000) 9.279 25.743 ( 0.000 7.365 0.000) 7.365 25.839 ( 0.000 2.304 0.000) 2.304 25.874 ( 0.000 3.080 0.000) 3.080 104.229 ( 0.000 0.213 0.000) 0.213 104.240 ( 0.000 -0.354 0.000) 0.354 104.283 ( 0.000 0.583 0.000) 0.583 104.327 ( 0.000 -1.635 0.000) 1.635 105.490 ( 0.000 -1.519 0.000) 1.519 105.511 ( 0.000 -3.020 0.000) 3.020 105.524 ( 0.000 -1.450 0.000) 1.450 105.527 ( 0.000 -1.570 0.000) 1.570 ======================= Grid point 31 (20/120) ======================= q-point: ( 0.25 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.923 ( 5.174 10.287 0.000) 11.515 2.162 ( -4.232 9.821 0.000) 10.694 2.448 ( 1.369 -13.246 0.000) 13.316 2.524 ( -1.620 -8.169 0.000) 8.328 3.187 ( 0.391 18.813 0.000) 18.817 3.203 ( -0.251 18.558 0.000) 18.559 3.869 ( 0.538 -13.842 0.000) 13.853 3.899 ( -0.615 -14.222 0.000) 14.235 3.951 ( 0.080 6.488 0.000) 6.489 3.963 ( -0.326 8.254 0.000) 8.261 4.191 ( 1.750 -4.619 0.000) 4.939 4.270 ( -1.401 -6.068 0.000) 6.228 4.749 ( 3.795 15.081 0.000) 15.551 4.935 ( -3.353 14.451 0.000) 14.835 5.009 ( 1.548 4.673 0.000) 4.923 5.107 ( -2.468 5.540 0.000) 6.065 5.179 ( 0.448 -0.309 0.000) 0.544 5.183 ( 0.155 -2.750 0.000) 2.754 5.216 ( 0.610 -3.367 0.000) 3.422 5.240 ( -0.402 -3.550 0.000) 3.573 5.795 ( -0.123 6.374 0.000) 6.376 5.816 ( -0.799 6.799 0.000) 6.845 5.823 ( 0.819 5.195 0.000) 5.259 5.843 ( -0.111 6.082 0.000) 6.083 8.177 ( 0.831 -3.423 0.000) 3.522 8.218 ( -0.958 -3.982 0.000) 4.095 8.252 ( 0.595 -5.243 0.000) 5.276 8.279 ( -0.646 -7.226 0.000) 7.255 9.687 ( 0.161 13.831 0.000) 13.832 9.707 ( -0.587 14.270 0.000) 14.282 10.215 ( 0.708 -10.337 0.000) 10.361 10.251 ( -0.682 -9.732 0.000) 9.756 10.504 ( 2.362 2.076 0.000) 3.145 10.526 ( 3.857 1.620 0.000) 4.184 10.620 ( -2.154 4.356 0.000) 4.859 10.730 ( -4.227 -0.536 0.000) 4.261 11.773 ( 0.690 -2.359 0.000) 2.458 11.837 ( 2.743 -5.408 0.000) 6.064 11.848 ( -2.163 -1.502 0.000) 2.634 11.922 ( -0.752 -4.352 0.000) 4.417 12.830 ( 1.177 6.840 0.000) 6.941 12.892 ( -1.251 5.974 0.000) 6.104 12.995 ( 1.018 1.527 0.000) 1.835 13.043 ( -0.843 1.206 0.000) 1.472 13.560 ( 0.215 2.984 0.000) 2.992 13.570 ( -0.162 2.864 0.000) 2.869 13.801 ( 0.235 -6.057 0.000) 6.061 13.814 ( -0.273 -6.322 0.000) 6.328 18.929 ( 3.877 15.437 0.000) 15.917 19.140 ( -4.433 10.081 0.000) 11.013 19.590 ( 0.253 -15.701 0.000) 15.704 19.590 ( 0.350 -11.721 0.000) 11.726 21.556 ( 1.293 7.366 0.000) 7.478 21.643 ( -2.318 4.415 0.000) 4.987 21.872 ( 1.376 -5.579 0.000) 5.746 21.921 ( -0.762 -8.547 0.000) 8.581 23.873 ( 1.131 9.270 0.000) 9.338 23.946 ( -1.595 12.569 0.000) 12.670 24.208 ( 3.984 -5.775 0.000) 7.016 24.387 ( -3.122 -7.854 0.000) 8.452 25.728 ( 0.191 8.953 0.000) 8.955 25.740 ( -0.283 7.588 0.000) 7.594 25.844 ( 0.458 2.455 0.000) 2.497 25.868 ( -0.511 2.991 0.000) 3.034 104.234 ( 0.652 0.390 0.000) 0.759 104.255 ( 1.333 -0.682 0.000) 1.498 104.274 ( -0.841 0.583 0.000) 1.023 104.316 ( -1.101 -1.518 0.000) 1.875 105.495 ( 0.448 -1.481 0.000) 1.547 105.514 ( 0.256 -2.843 0.000) 2.855 105.518 ( -0.498 -1.375 0.000) 1.463 105.526 ( -0.186 -1.875 0.000) 1.884 ======================= Grid point 32 (21/120) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.048 ( -6.594 9.881 0.000) 11.879 2.048 ( 6.594 9.881 0.000) 11.879 2.484 ( -2.126 -10.648 0.000) 10.858 2.484 ( 2.126 -10.648 0.000) 10.858 3.196 ( -0.456 18.632 0.000) 18.637 3.196 ( 0.456 18.632 0.000) 18.637 3.883 ( -0.811 -14.158 0.000) 14.182 3.883 ( 0.811 -14.158 0.000) 14.182 3.956 ( -0.364 7.669 0.000) 7.677 3.956 ( 0.364 7.669 0.000) 7.677 4.232 ( -2.158 -5.377 0.000) 5.794 4.232 ( 2.158 -5.377 0.000) 5.794 4.845 ( -5.173 14.742 0.000) 15.623 4.845 ( 5.173 14.742 0.000) 15.623 5.052 ( -2.661 5.300 0.000) 5.931 5.052 ( 2.661 5.300 0.000) 5.931 5.185 ( -0.095 -1.767 0.000) 1.769 5.185 ( 0.095 -1.767 0.000) 1.769 5.229 ( -0.635 -3.559 0.000) 3.615 5.229 ( 0.635 -3.559 0.000) 3.615 5.800 ( -0.600 6.847 0.000) 6.873 5.800 ( 0.600 6.847 0.000) 6.873 5.837 ( -0.507 5.509 0.000) 5.532 5.837 ( 0.507 5.509 0.000) 5.532 8.197 ( -1.104 -3.730 0.000) 3.890 8.197 ( 1.104 -3.730 0.000) 3.890 8.264 ( -0.703 -6.246 0.000) 6.285 8.264 ( 0.703 -6.246 0.000) 6.285 9.694 ( -0.549 14.137 0.000) 14.147 9.694 ( 0.549 14.137 0.000) 14.147 10.233 ( -0.975 -10.020 0.000) 10.068 10.233 ( 0.975 -10.020 0.000) 10.068 10.563 ( -3.207 3.090 0.000) 4.453 10.563 ( 3.207 3.090 0.000) 4.453 10.625 ( -5.600 0.588 0.000) 5.630 10.625 ( 5.600 0.588 0.000) 5.630 11.803 ( -2.093 -1.492 0.000) 2.570 11.803 ( 2.093 -1.492 0.000) 2.570 11.891 ( -2.313 -5.314 0.000) 5.796 11.891 ( 2.313 -5.314 0.000) 5.796 12.861 ( -1.720 6.451 0.000) 6.676 12.861 ( 1.720 6.451 0.000) 6.676 13.020 ( -1.314 1.297 0.000) 1.846 13.020 ( 1.314 1.297 0.000) 1.846 13.565 ( -0.268 2.946 0.000) 2.958 13.565 ( 0.268 2.946 0.000) 2.958 13.807 ( -0.361 -6.171 0.000) 6.181 13.807 ( 0.361 -6.171 0.000) 6.181 19.031 ( -5.777 12.873 0.000) 14.110 19.031 ( 5.777 12.873 0.000) 14.110 19.594 ( -0.037 -13.823 0.000) 13.823 19.594 ( 0.037 -13.823 0.000) 13.823 21.593 ( -2.338 6.048 0.000) 6.484 21.593 ( 2.338 6.048 0.000) 6.484 21.900 ( -1.310 -7.272 0.000) 7.389 21.900 ( 1.310 -7.272 0.000) 7.389 23.907 ( -2.041 11.163 0.000) 11.348 23.907 ( 2.041 11.163 0.000) 11.348 24.303 ( -4.908 -6.933 0.000) 8.495 24.303 ( 4.908 -6.933 0.000) 8.495 25.733 ( -0.335 8.222 0.000) 8.229 25.733 ( 0.335 8.222 0.000) 8.229 25.856 ( -0.682 2.751 0.000) 2.835 25.856 ( 0.682 2.751 0.000) 2.835 104.253 ( -1.121 0.543 0.000) 1.246 104.253 ( 1.121 0.543 0.000) 1.246 104.287 ( -1.654 -1.174 0.000) 2.028 104.287 ( 1.654 -1.174 0.000) 2.028 105.506 ( -0.648 -1.403 0.000) 1.546 105.506 ( 0.649 -1.403 0.000) 1.546 105.520 ( -0.333 -2.391 0.000) 2.414 105.520 ( 0.333 -2.391 0.000) 2.414 ======================= Grid point 35 (22/120) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.130 ( 0.000 -14.312 0.000) 14.312 2.130 ( 0.000 14.312 0.000) 14.312 2.388 ( 0.000 -7.885 0.000) 7.885 2.388 ( 0.000 7.885 0.000) 7.885 3.550 ( 0.000 -16.506 0.000) 16.506 3.550 ( 0.000 16.506 0.000) 16.506 3.575 ( 0.000 -16.991 0.000) 16.991 3.575 ( 0.000 16.991 0.000) 16.991 4.073 ( 0.000 -5.336 0.000) 5.336 4.073 ( 0.000 5.336 0.000) 5.336 4.135 ( 0.000 -7.761 0.000) 7.761 4.135 ( 0.000 7.761 0.000) 7.761 4.960 ( 0.000 -8.149 0.000) 8.149 4.960 ( 0.000 8.149 0.000) 8.149 5.143 ( 0.000 -3.725 0.000) 3.725 5.143 ( 0.000 3.725 0.000) 3.725 5.156 ( 0.000 -1.600 0.000) 1.600 5.156 ( 0.000 1.600 0.000) 1.600 5.206 ( 0.000 -1.936 0.000) 1.936 5.206 ( 0.000 1.936 0.000) 1.936 5.864 ( 0.000 -0.088 0.000) 0.088 5.864 ( 0.000 0.088 0.000) 0.088 5.903 ( 0.000 -0.636 0.000) 0.636 5.903 ( 0.000 0.636 0.000) 0.636 8.169 ( 0.000 -3.195 0.000) 3.195 8.169 ( 0.000 3.195 0.000) 3.195 8.191 ( 0.000 -0.231 0.000) 0.231 8.191 ( 0.000 0.231 0.000) 0.231 9.963 ( 0.000 -12.846 0.000) 12.846 9.963 ( 0.000 12.846 0.000) 12.846 10.008 ( 0.000 -13.742 0.000) 13.742 10.008 ( 0.000 13.742 0.000) 13.742 10.503 ( 0.000 -0.321 0.000) 0.321 10.503 ( 0.000 0.321 0.000) 0.321 10.732 ( 0.000 -3.351 0.000) 3.351 10.732 ( 0.000 3.351 0.000) 3.351 11.742 ( 0.000 -0.537 0.000) 0.537 11.742 ( 0.000 0.537 0.000) 0.537 11.870 ( 0.000 -1.524 0.000) 1.524 11.870 ( 0.000 1.524 0.000) 1.524 12.944 ( 0.000 -4.722 0.000) 4.722 12.944 ( 0.000 4.722 0.000) 4.722 13.014 ( 0.000 -4.193 0.000) 4.193 13.014 ( 0.000 4.193 0.000) 4.193 13.665 ( 0.000 -6.490 0.000) 6.490 13.665 ( 0.000 6.490 0.000) 6.490 13.678 ( 0.000 -6.629 0.000) 6.629 13.678 ( 0.000 6.629 0.000) 6.629 19.237 ( 0.000 -17.074 0.000) 17.074 19.237 ( 0.000 17.074 0.000) 17.074 19.376 ( 0.000 -9.492 0.000) 9.492 19.376 ( 0.000 9.492 0.000) 9.492 21.728 ( 0.000 -9.766 0.000) 9.766 21.728 ( 0.000 9.766 0.000) 9.766 21.757 ( 0.000 -4.632 0.000) 4.632 21.757 ( 0.000 4.632 0.000) 4.632 24.030 ( 0.000 -7.587 0.000) 7.587 24.030 ( 0.000 7.587 0.000) 7.587 24.216 ( 0.000 -11.210 0.000) 11.210 24.216 ( 0.000 11.210 0.000) 11.210 25.842 ( 0.000 -2.213 0.000) 2.213 25.842 ( 0.000 2.213 0.000) 2.213 25.866 ( 0.000 -3.813 0.000) 3.813 25.866 ( 0.000 3.813 0.000) 3.813 104.233 ( 0.000 -0.259 0.000) 0.259 104.233 ( 0.000 0.259 0.000) 0.259 104.300 ( 0.000 -1.034 0.000) 1.034 104.300 ( 0.000 1.034 0.000) 1.034 105.477 ( 0.000 -0.392 0.000) 0.392 105.477 ( 0.000 0.392 0.000) 0.392 105.510 ( 0.000 -0.084 0.000) 0.084 105.510 ( 0.000 0.084 0.000) 0.084 ======================= Grid point 37 (23/120) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.169 ( 3.661 -13.141 0.000) 13.641 2.169 ( 3.661 13.141 0.000) 13.641 2.351 ( -3.465 -8.620 0.000) 9.290 2.351 ( -3.465 8.620 0.000) 9.290 3.554 ( 0.345 -16.543 0.000) 16.547 3.554 ( 0.345 16.543 0.000) 16.547 3.571 ( -0.332 -16.879 0.000) 16.882 3.571 ( -0.332 16.879 0.000) 16.882 4.084 ( 0.956 -5.805 0.000) 5.884 4.084 ( 0.956 5.805 0.000) 5.884 4.128 ( -0.760 -7.490 0.000) 7.528 4.128 ( -0.760 7.490 0.000) 7.528 4.989 ( 2.759 -7.417 0.000) 7.913 4.989 ( 2.759 7.417 0.000) 7.913 5.125 ( -2.051 -4.372 0.000) 4.829 5.125 ( -2.051 4.372 0.000) 4.829 5.161 ( 0.452 -1.670 0.000) 1.730 5.161 ( 0.452 1.670 0.000) 1.730 5.189 ( -1.164 -1.948 0.000) 2.270 5.189 ( -1.164 1.948 0.000) 2.270 5.870 ( 0.551 -0.752 0.000) 0.932 5.870 ( 0.551 0.752 0.000) 0.932 5.897 ( -0.546 -0.819 0.000) 0.985 5.897 ( -0.546 0.819 0.000) 0.985 8.172 ( 0.227 -2.752 0.000) 2.762 8.172 ( 0.227 2.752 0.000) 2.762 8.187 ( -0.358 -0.887 0.000) 0.957 8.187 ( -0.358 0.887 0.000) 0.957 9.969 ( 0.558 -13.064 0.000) 13.076 9.969 ( 0.558 13.064 0.000) 13.076 10.001 ( -0.695 -13.689 0.000) 13.707 10.001 ( -0.695 13.689 0.000) 13.707 10.536 ( 3.108 -0.738 0.000) 3.195 10.536 ( 3.108 0.738 0.000) 3.195 10.697 ( -3.226 -2.793 0.000) 4.267 10.697 ( -3.226 2.793 0.000) 4.267 11.763 ( 1.899 -1.554 0.000) 2.454 11.763 ( 1.899 1.554 0.000) 2.454 11.852 ( -1.645 -1.980 0.000) 2.574 11.852 ( -1.645 1.980 0.000) 2.574 12.954 ( 0.988 -4.672 0.000) 4.775 12.954 ( 0.988 4.672 0.000) 4.775 13.004 ( -0.959 -4.295 0.000) 4.401 13.004 ( -0.959 4.295 0.000) 4.401 13.667 ( 0.186 -6.487 0.000) 6.490 13.667 ( 0.186 6.487 0.000) 6.490 13.676 ( -0.146 -6.586 0.000) 6.588 13.676 ( -0.146 6.586 0.000) 6.588 19.258 ( 1.929 -16.145 0.000) 16.260 19.258 ( 1.929 16.145 0.000) 16.260 19.356 ( -1.896 -10.863 0.000) 11.027 19.356 ( -1.896 10.863 0.000) 11.027 21.731 ( 0.257 -9.243 0.000) 9.247 21.731 ( 0.257 9.243 0.000) 9.247 21.751 ( -0.524 -5.776 0.000) 5.800 21.751 ( -0.524 5.776 0.000) 5.800 24.059 ( 2.730 -8.376 0.000) 8.809 24.059 ( 2.730 8.376 0.000) 8.809 24.191 ( -2.419 -10.863 0.000) 11.129 24.191 ( -2.419 10.863 0.000) 11.129 25.845 ( 0.290 -2.486 0.000) 2.503 25.845 ( 0.290 2.486 0.000) 2.503 25.862 ( -0.380 -3.606 0.000) 3.626 25.862 ( -0.380 3.606 0.000) 3.626 104.243 ( 0.920 -0.481 0.000) 1.038 104.243 ( 0.920 0.481 0.000) 1.038 104.290 ( -0.910 -0.971 0.000) 1.330 104.290 ( -0.910 0.971 0.000) 1.330 105.482 ( 0.454 -0.355 0.000) 0.576 105.482 ( 0.454 0.355 0.000) 0.576 105.505 ( -0.449 -0.144 0.000) 0.471 105.505 ( -0.449 0.144 0.000) 0.471 ======================= Grid point 39 (24/120) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.261 ( -5.020 -10.661 0.000) 11.783 2.261 ( 5.020 -10.661 0.000) 11.783 2.261 ( -5.020 10.661 0.000) 11.783 2.261 ( 5.020 10.661 0.000) 11.783 3.563 ( -0.476 -16.674 0.000) 16.681 3.563 ( 0.476 -16.674 0.000) 16.681 3.563 ( -0.476 16.674 0.000) 16.681 3.563 ( 0.476 16.674 0.000) 16.681 4.107 ( -1.218 -6.738 0.000) 6.848 4.107 ( 1.218 -6.738 0.000) 6.848 4.107 ( -1.218 6.738 0.000) 6.848 4.107 ( 1.218 6.738 0.000) 6.848 5.061 ( -3.905 -5.767 0.000) 6.965 5.061 ( 3.905 -5.767 0.000) 6.965 5.061 ( -3.905 5.767 0.000) 6.965 5.061 ( 3.905 5.767 0.000) 6.965 5.172 ( -0.629 -1.789 0.000) 1.896 5.172 ( 0.629 -1.789 0.000) 1.896 5.172 ( -0.629 1.789 0.000) 1.897 5.172 ( 0.629 1.789 0.000) 1.897 5.883 ( -0.747 -1.003 0.000) 1.251 5.883 ( 0.747 -1.003 0.000) 1.251 5.883 ( -0.747 1.003 0.000) 1.251 5.883 ( 0.747 1.003 0.000) 1.251 8.179 ( -0.426 -1.803 0.000) 1.852 8.179 ( 0.426 -1.803 0.000) 1.852 8.179 ( -0.426 1.803 0.000) 1.852 8.179 ( 0.426 1.803 0.000) 1.852 9.984 ( -0.892 -13.457 0.000) 13.487 9.984 ( 0.892 -13.457 0.000) 13.487 9.984 ( -0.892 13.457 0.000) 13.487 9.984 ( 0.892 13.457 0.000) 13.487 10.616 ( -4.429 -1.669 0.000) 4.733 10.616 ( -4.429 1.669 0.000) 4.733 10.616 ( 4.429 -1.669 0.000) 4.733 10.616 ( 4.429 1.669 0.000) 4.733 11.809 ( -2.466 -2.248 0.000) 3.337 11.809 ( 2.466 -2.248 0.000) 3.337 11.809 ( -2.466 2.248 0.000) 3.337 11.809 ( 2.466 2.248 0.000) 3.337 12.979 ( -1.376 -4.510 0.000) 4.715 12.979 ( 1.376 -4.510 0.000) 4.715 12.979 ( -1.376 4.510 0.000) 4.715 12.979 ( 1.376 4.510 0.000) 4.715 13.672 ( -0.237 -6.514 0.000) 6.518 13.672 ( 0.237 -6.514 0.000) 6.518 13.672 ( -0.237 6.514 0.000) 6.518 13.672 ( 0.237 6.514 0.000) 6.518 19.307 ( -2.709 -13.707 0.000) 13.972 19.307 ( 2.709 -13.707 0.000) 13.972 19.307 ( -2.709 13.707 0.000) 13.972 19.307 ( 2.709 13.707 0.000) 13.972 21.739 ( -0.538 -7.769 0.000) 7.788 21.739 ( 0.538 -7.769 0.000) 7.788 21.739 ( -0.538 7.769 0.000) 7.788 21.739 ( 0.538 7.769 0.000) 7.788 24.127 ( -3.632 -9.824 0.000) 10.474 24.127 ( 3.632 -9.824 0.000) 10.474 24.127 ( -3.632 9.824 0.000) 10.474 24.127 ( 3.632 9.824 0.000) 10.474 25.853 ( -0.472 -3.076 0.000) 3.113 25.853 ( 0.472 -3.076 0.000) 3.113 25.853 ( -0.472 3.077 0.000) 3.113 25.853 ( 0.472 3.077 0.000) 3.113 104.267 ( -1.293 -0.778 0.000) 1.509 104.267 ( 1.293 -0.778 0.000) 1.509 104.267 ( -1.293 0.778 0.000) 1.509 104.267 ( 1.293 0.778 0.000) 1.509 105.493 ( -0.638 -0.258 0.000) 0.688 105.493 ( -0.638 0.258 0.000) 0.688 105.493 ( 0.638 -0.258 0.000) 0.688 105.493 ( 0.638 0.258 0.000) 0.688 ======================= Grid point 75 (25/120) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.425 ( 0.000 0.000 20.390) 20.390 0.618 ( 0.000 0.000 29.688) 29.688 0.914 ( 0.000 0.000 42.385) 42.385 1.261 ( 0.000 0.000 13.227) 13.227 1.438 ( 0.000 0.000 25.428) 25.428 2.068 ( 0.000 0.000 -5.802) 5.802 2.867 ( 0.000 0.000 -1.837) 1.837 3.016 ( 0.000 0.000 -5.180) 5.180 3.091 ( 0.000 0.000 -4.407) 4.407 3.195 ( 0.000 0.000 -2.716) 2.716 3.445 ( 0.000 0.000 -0.627) 0.627 3.525 ( 0.000 0.000 7.444) 7.444 3.600 ( 0.000 0.000 2.217) 2.217 3.818 ( 0.000 0.000 -2.380) 2.380 3.973 ( 0.000 0.000 -0.871) 0.871 4.021 ( 0.000 0.000 1.089) 1.089 4.566 ( 0.000 0.000 -4.151) 4.151 4.682 ( 0.000 0.000 -5.011) 5.011 4.783 ( 0.000 0.000 -4.536) 4.536 4.963 ( 0.000 0.000 -7.763) 7.763 5.660 ( 0.000 0.000 -0.321) 0.321 5.811 ( 0.000 0.000 0.215) 0.215 6.239 ( 0.000 0.000 -4.274) 4.274 6.570 ( 0.000 0.000 -21.371) 21.371 7.921 ( 0.000 0.000 0.664) 0.664 7.925 ( 0.000 0.000 0.582) 0.582 9.140 ( 0.000 0.000 30.992) 30.992 9.553 ( 0.000 0.000 -6.880) 6.880 9.572 ( 0.000 0.000 -6.422) 6.422 9.643 ( 0.000 0.000 -7.120) 7.120 9.808 ( 0.000 0.000 1.883) 1.883 9.841 ( 0.000 0.000 3.386) 3.386 9.885 ( 0.000 0.000 2.539) 2.539 10.120 ( 0.000 0.000 14.199) 14.199 11.282 ( 0.000 0.000 1.700) 1.700 11.291 ( 0.000 0.000 1.578) 1.578 11.306 ( 0.000 0.000 0.399) 0.399 11.541 ( 0.000 0.000 -11.923) 11.923 11.588 ( 0.000 0.000 -12.323) 12.323 11.875 ( 0.000 0.000 -0.293) 0.293 12.446 ( 0.000 0.000 14.895) 14.895 12.829 ( 0.000 0.000 4.456) 4.456 13.045 ( 0.000 0.000 -0.489) 0.489 13.106 ( 0.000 0.000 -3.200) 3.200 13.802 ( 0.000 0.000 2.326) 2.326 13.837 ( 0.000 0.000 -2.846) 2.846 14.396 ( 0.000 0.000 1.507) 1.507 14.722 ( 0.000 0.000 -9.337) 9.337 17.234 ( 0.000 0.000 1.304) 1.304 17.346 ( 0.000 0.000 0.403) 0.403 18.072 ( 0.000 0.000 -0.587) 0.587 18.164 ( 0.000 0.000 -1.334) 1.334 22.268 ( 0.000 0.000 2.060) 2.060 22.456 ( 0.000 0.000 0.765) 0.765 22.479 ( 0.000 0.000 16.750) 16.750 22.546 ( 0.000 0.000 12.041) 12.041 22.638 ( 0.000 0.000 11.480) 11.480 22.757 ( 0.000 0.000 -0.259) 0.259 22.943 ( 0.000 0.000 -1.923) 1.923 24.440 ( 0.000 0.000 -3.720) 3.720 24.934 ( 0.000 0.000 -0.610) 0.610 25.101 ( 0.000 0.000 -3.766) 3.766 25.419 ( 0.000 0.000 -4.551) 4.551 25.562 ( 0.000 0.000 -4.776) 4.776 104.213 ( 0.000 0.000 -0.123) 0.123 104.298 ( 0.000 0.000 -0.156) 0.156 104.483 ( 0.000 0.000 -0.338) 0.338 104.537 ( 0.000 0.000 -0.194) 0.194 105.854 ( 0.000 0.000 0.006) 0.006 105.856 ( 0.000 0.000 0.202) 0.202 105.961 ( 0.000 0.000 0.047) 0.047 106.554 ( 0.000 0.000 -6.051) 6.051 ======================= Grid point 76 (26/120) ======================= q-point: ( 0.25 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.726 ( 19.960 0.000 14.269) 24.536 0.734 ( 10.293 0.000 24.647) 26.710 1.109 ( 18.412 0.000 30.948) 36.011 1.179 ( -7.809 0.000 14.360) 16.346 1.341 ( -9.015 0.000 24.101) 25.732 1.934 ( -13.042 0.000 -0.925) 13.075 2.893 ( 2.381 0.000 -2.327) 3.329 2.997 ( -1.759 0.000 -4.689) 5.008 3.110 ( 1.812 0.000 -4.522) 4.871 3.188 ( -0.959 0.000 -3.374) 3.508 3.462 ( 1.657 0.000 -0.368) 1.697 3.533 ( 1.375 0.000 8.121) 8.237 3.567 ( -2.723 0.000 1.442) 3.081 3.755 ( -11.717 0.000 14.018) 18.270 3.850 ( 2.741 0.000 -1.805) 3.282 3.956 ( -1.667 0.000 -0.955) 1.921 4.658 ( 1.845 0.000 -7.839) 8.053 4.712 ( -0.074 0.000 -6.444) 6.445 4.805 ( 3.939 0.000 -7.016) 8.046 4.945 ( -1.908 0.000 -7.719) 7.952 5.726 ( 2.511 0.000 -5.323) 5.886 5.849 ( -1.398 0.000 -1.922) 2.376 6.465 ( 15.699 0.000 -26.074) 30.435 6.644 ( 5.010 0.000 -23.045) 23.583 7.922 ( 0.074 0.000 0.654) 0.658 7.925 ( -0.036 0.000 0.596) 0.598 9.168 ( 2.960 0.000 31.219) 31.359 9.487 ( -12.734 0.000 14.756) 19.491 9.556 ( 0.249 0.000 -6.811) 6.816 9.569 ( -0.253 0.000 -6.485) 6.490 9.829 ( 1.917 0.000 2.776) 3.374 9.847 ( 0.601 0.000 3.258) 3.312 9.878 ( -0.617 0.000 2.660) 2.730 9.983 ( -7.453 0.000 15.521) 17.218 11.283 ( 0.136 0.000 1.681) 1.687 11.289 ( -1.429 0.000 1.882) 2.363 11.290 ( -0.134 0.000 1.596) 1.601 11.345 ( -9.173 0.000 6.193) 11.068 11.631 ( 1.831 0.000 -9.746) 9.916 11.723 ( -4.532 0.000 1.013) 4.644 12.566 ( 5.753 0.000 4.538) 7.328 12.738 ( -4.894 0.000 6.118) 7.835 13.057 ( 1.196 0.000 -0.599) 1.337 13.114 ( -0.559 0.000 -1.823) 1.907 13.796 ( 0.506 0.000 0.794) 0.941 13.839 ( -0.682 0.000 -1.770) 1.896 14.578 ( 9.066 0.000 -10.693) 14.019 14.717 ( -0.610 0.000 -9.480) 9.500 17.249 ( 1.411 0.000 1.193) 1.848 17.327 ( -1.686 0.000 0.562) 1.777 18.087 ( 1.410 0.000 -0.723) 1.585 18.152 ( -1.144 0.000 -1.245) 1.691 22.288 ( 2.010 0.000 1.943) 2.796 22.417 ( -3.346 0.000 1.095) 3.520 22.510 ( 3.166 0.000 18.220) 18.493 22.563 ( 1.674 0.000 12.958) 13.065 22.630 ( -0.463 0.000 12.473) 12.482 22.796 ( 3.313 0.000 -0.642) 3.374 22.923 ( -1.975 0.000 -1.751) 2.639 23.323 ( -51.672 0.000 50.832) 72.484 25.040 ( 2.218 0.000 -5.180) 5.634 25.089 ( -0.936 0.000 -3.877) 3.988 25.443 ( 2.156 0.000 -4.637) 5.114 25.543 ( -1.811 0.000 -4.747) 5.080 104.229 ( 1.708 0.000 -0.138) 1.713 104.323 ( -1.251 0.000 -0.258) 1.278 104.520 ( 2.345 0.000 -3.159) 3.934 104.564 ( 0.947 0.000 -1.651) 1.904 105.864 ( 1.073 0.000 -0.016) 1.073 105.922 ( -0.990 0.000 -0.026) 0.991 106.277 ( 19.540 0.000 -19.903) 27.892 106.549 ( -0.781 0.000 -7.603) 7.643 ======================= Grid point 77 (27/120) ======================= q-point: (-0.50 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( -12.027 0.000 18.034) 21.677 0.972 ( 12.027 0.000 18.034) 21.677 1.080 ( -15.240 0.000 19.878) 25.048 1.080 ( 15.240 0.000 19.878) 25.048 1.565 ( -22.431 0.000 11.154) 25.051 1.565 ( 22.431 0.000 11.154) 25.051 2.949 ( -2.847 0.000 -3.509) 4.519 2.949 ( 2.847 0.000 -3.509) 4.519 3.154 ( -2.241 0.000 -4.372) 4.913 3.154 ( 2.241 0.000 -4.372) 4.913 3.509 ( -2.810 0.000 0.378) 2.835 3.509 ( 2.810 0.000 0.378) 2.835 3.598 ( -5.148 0.000 10.421) 11.623 3.598 ( 5.148 0.000 10.421) 11.623 3.910 ( -2.825 0.000 -1.231) 3.081 3.910 ( 2.825 0.000 -1.231) 3.081 4.687 ( -1.478 0.000 -6.203) 6.377 4.687 ( 1.478 0.000 -6.203) 6.377 4.889 ( -3.647 0.000 -7.996) 8.789 4.889 ( 3.647 0.000 -7.996) 8.789 5.784 ( -3.525 0.000 -3.437) 4.923 5.784 ( 3.525 0.000 -3.437) 4.923 6.666 ( -4.119 0.000 -27.677) 27.982 6.666 ( 4.119 0.000 -27.677) 27.982 7.924 ( -0.077 0.000 0.628) 0.633 7.924 ( 0.077 0.000 0.628) 0.633 9.271 ( -7.696 0.000 30.007) 30.978 9.271 ( 7.696 0.000 30.007) 30.978 9.562 ( -0.354 0.000 -6.646) 6.655 9.562 ( 0.354 0.000 -6.646) 6.655 9.863 ( -0.860 0.000 2.955) 3.078 9.863 ( 0.860 0.000 2.955) 3.078 9.882 ( -3.397 0.000 6.475) 7.312 9.882 ( 3.397 0.000 6.475) 7.312 11.269 ( -0.245 0.000 5.088) 5.094 11.269 ( 0.245 0.000 5.088) 5.094 11.287 ( -0.190 0.000 1.638) 1.649 11.287 ( 0.190 0.000 1.638) 1.649 11.668 ( -1.964 0.000 -5.996) 6.310 11.668 ( 1.964 0.000 -5.996) 6.310 12.656 ( -3.765 0.000 4.644) 5.978 12.656 ( 3.765 0.000 4.644) 5.978 13.088 ( -1.681 0.000 -0.870) 1.893 13.088 ( 1.681 0.000 -0.870) 1.893 13.817 ( -1.292 0.000 -0.613) 1.430 13.817 ( 1.292 0.000 -0.613) 1.430 14.687 ( -2.799 0.000 -10.289) 10.663 14.687 ( 2.799 0.000 -10.289) 10.663 17.286 ( -2.165 0.000 0.900) 2.345 17.286 ( 2.165 0.000 0.900) 2.345 18.121 ( -1.781 0.000 -1.007) 2.046 18.121 ( 1.781 0.000 -1.007) 2.046 22.345 ( -3.443 0.000 1.600) 3.796 22.345 ( 3.443 0.000 1.600) 3.796 22.574 ( -1.837 0.000 12.943) 13.073 22.574 ( 1.837 0.000 12.943) 13.073 22.724 ( -13.992 0.000 31.528) 34.493 22.724 ( 13.992 0.000 31.528) 34.493 22.867 ( -3.394 0.000 -1.277) 3.626 22.867 ( 3.394 0.000 -1.277) 3.626 25.068 ( -1.073 0.000 -4.259) 4.392 25.068 ( 1.073 0.000 -4.259) 4.392 25.495 ( -2.766 0.000 -4.716) 5.468 25.495 ( 2.766 0.000 -4.716) 5.468 104.276 ( -2.677 0.000 0.084) 2.678 104.276 ( 2.677 0.000 0.084) 2.678 104.558 ( -1.315 0.000 -2.119) 2.494 104.558 ( 1.315 0.000 -2.119) 2.494 105.893 ( -1.621 0.000 0.081) 1.623 105.893 ( 1.621 0.000 0.081) 1.623 106.501 ( -5.001 0.000 -12.958) 13.889 106.501 ( 5.001 0.000 -12.958) 13.889 ======================= Grid point 80 (28/120) ======================= q-point: ( 0.00 0.07 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.572 ( 0.000 13.003 14.639) 19.579 0.807 ( 0.000 18.934 18.999) 26.822 1.389 ( 0.000 10.679 12.080) 16.123 1.417 ( 0.000 37.622 27.250) 46.455 1.721 ( 0.000 25.065 19.736) 31.902 1.982 ( 0.000 -6.322 -3.897) 7.427 3.053 ( 0.000 8.941 -2.601) 9.312 3.106 ( 0.000 7.620 -3.449) 8.364 3.152 ( 0.000 10.262 -5.525) 11.655 3.219 ( 0.000 4.493 -2.020) 4.926 3.445 ( 0.000 -0.578 4.265) 4.304 3.626 ( 0.000 5.073 2.284) 5.564 3.747 ( 0.000 14.423 1.878) 14.545 3.959 ( 0.000 12.988 -2.422) 13.212 4.101 ( 0.000 11.782 -0.983) 11.823 4.339 ( 0.000 18.095 -11.657) 21.525 4.552 ( 0.000 -1.332 -3.910) 4.131 4.656 ( 0.000 -2.454 -4.691) 5.294 4.768 ( 0.000 -1.108 -5.115) 5.234 4.905 ( 0.000 -5.172 -6.621) 8.402 5.643 ( 0.000 -1.680 -0.400) 1.727 5.768 ( 0.000 -3.854 0.411) 3.876 6.010 ( 0.000 -11.583 5.539) 12.839 6.310 ( 0.000 -18.959 -11.016) 21.927 8.164 ( 0.000 16.100 -11.278) 19.658 8.239 ( 0.000 15.124 -18.441) 23.850 9.183 ( 0.000 1.754 24.652) 24.714 9.306 ( 0.000 -11.543 9.171) 14.743 9.498 ( 0.000 -5.661 -4.102) 6.991 9.547 ( 0.000 -8.129 0.075) 8.129 9.775 ( 0.000 0.372 0.517) 0.638 9.857 ( 0.000 2.260 -5.952) 6.366 10.021 ( 0.000 10.074 4.556) 11.056 10.330 ( 0.000 5.962 -3.793) 7.066 11.065 ( 0.000 -10.630 2.076) 10.831 11.296 ( 0.000 0.331 1.638) 1.671 11.478 ( 0.000 7.545 1.745) 7.744 11.564 ( 0.000 -3.031 4.425) 5.363 11.617 ( 0.000 5.713 -9.065) 10.715 11.732 ( 0.000 -3.641 4.825) 6.044 12.495 ( 0.000 4.404 11.423) 12.242 12.673 ( 0.000 -4.678 5.849) 7.489 13.024 ( 0.000 -1.487 0.315) 1.520 13.060 ( 0.000 -4.171 -1.769) 4.531 13.788 ( 0.000 -1.154 1.906) 2.228 13.820 ( 0.000 -1.674 -2.765) 3.232 14.356 ( 0.000 -3.689 1.324) 3.919 14.566 ( 0.000 -11.659 -6.471) 13.334 17.369 ( 0.000 12.041 0.885) 12.074 18.150 ( 0.000 7.280 0.022) 7.280 18.511 ( 0.000 34.021 -10.895) 35.723 18.887 ( 0.000 73.181 -70.303) 101.479 21.933 ( 0.000 -19.000 2.575) 19.174 22.044 ( 0.000 -18.998 6.183) 19.979 22.225 ( 0.000 -18.292 6.757) 19.500 22.673 ( 0.000 -12.727 5.064) 13.697 22.961 ( 0.000 13.958 6.073) 15.222 23.011 ( 0.000 26.152 7.446) 27.191 23.176 ( 0.000 23.959 5.982) 24.695 23.976 ( 0.000 -22.457 29.690) 37.226 24.940 ( 0.000 0.712 -0.275) 0.763 25.098 ( 0.000 1.148 -1.013) 1.531 25.427 ( 0.000 0.870 -3.838) 3.935 25.546 ( 0.000 -1.454 -4.065) 4.318 104.212 ( 0.000 -0.073 -0.145) 0.162 104.295 ( 0.000 -0.337 -0.159) 0.373 104.403 ( 0.000 -4.240 3.211) 5.319 104.527 ( 0.000 -0.949 -0.214) 0.973 105.832 ( 0.000 -1.968 -0.145) 1.974 105.838 ( 0.000 -1.771 0.174) 1.779 105.913 ( 0.000 -3.831 0.974) 3.953 106.466 ( 0.000 -8.055 -5.297) 9.641 ======================= Grid point 81 (29/120) ======================= q-point: ( 0.25 0.07 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( 20.515 8.049 9.009) 23.808 0.906 ( 8.966 16.554 17.186) 25.491 1.312 ( -7.256 11.569 12.674) 18.631 1.515 ( 8.866 33.126 23.723) 41.697 1.581 ( -12.262 16.806 14.430) 25.318 1.934 ( -5.802 5.079 4.178) 8.770 3.058 ( 0.729 9.630 -2.746) 10.040 3.116 ( -0.160 6.203 -4.527) 7.681 3.145 ( 0.496 9.360 -4.172) 10.259 3.214 ( -0.701 4.992 -2.488) 5.622 3.473 ( 2.678 0.159 4.170) 4.959 3.602 ( -2.303 4.145 2.742) 5.477 3.756 ( 1.443 16.500 2.240) 16.714 3.974 ( -0.392 13.936 -2.344) 14.137 4.071 ( -10.071 19.682 1.369) 22.152 4.091 ( -3.978 14.389 -0.229) 14.930 4.630 ( 2.035 -2.551 -7.454) 8.137 4.687 ( 0.509 -2.375 -6.255) 6.710 4.763 ( 2.037 -3.204 -4.978) 6.260 4.887 ( -1.862 -5.123 -6.481) 8.469 5.689 ( 2.284 -3.312 -4.103) 5.746 5.809 ( -1.286 -3.707 -1.601) 4.237 6.119 ( 12.024 -19.196 -2.859) 22.831 6.346 ( 1.856 -20.425 -10.164) 22.889 8.172 ( 0.819 16.047 -12.019) 20.066 8.225 ( -1.261 15.397 -17.069) 23.022 9.200 ( 1.667 0.638 23.434) 23.502 9.288 ( -1.707 -9.066 12.464) 15.507 9.502 ( 0.434 -5.433 -3.710) 6.593 9.537 ( -0.918 -6.838 -0.733) 6.938 9.784 ( 0.919 0.633 -0.106) 1.121 9.842 ( -1.378 2.238 -4.789) 5.463 10.039 ( 1.846 11.005 5.410) 12.401 10.240 ( -7.395 11.249 2.375) 13.670 11.072 ( 0.837 -9.639 3.689) 10.355 11.216 ( -6.965 -2.610 8.535) 11.321 11.446 ( -1.710 6.956 3.711) 8.067 11.485 ( -2.413 7.121 3.443) 8.270 11.660 ( 1.707 2.578 -7.467) 8.082 11.712 ( -1.198 0.104 -1.103) 1.631 12.555 ( 3.911 -0.048 6.955) 7.979 12.658 ( -1.439 -3.747 5.246) 6.605 13.023 ( 0.357 -2.314 -0.043) 2.342 13.060 ( -0.465 -4.292 -0.831) 4.397 13.783 ( 0.126 -1.193 0.846) 1.468 13.817 ( -0.615 -1.880 -1.684) 2.597 14.428 ( 5.278 -8.498 -1.809) 10.166 14.556 ( -1.094 -11.836 -5.996) 13.313 17.449 ( 7.945 15.381 -0.341) 17.315 18.027 ( -13.605 15.870 -6.285) 21.828 18.501 ( -0.564 36.060 -11.611) 37.887 18.660 ( -13.132 60.214 -32.532) 69.689 21.947 ( 1.403 -19.038 2.769) 19.290 22.025 ( -1.715 -19.173 5.102) 19.915 22.257 ( 3.324 -17.985 9.256) 20.498 22.570 ( -9.847 -18.598 11.015) 23.752 22.956 ( 0.426 19.094 9.875) 21.501 23.016 ( -0.271 25.193 8.414) 26.562 23.182 ( 0.741 22.746 6.322) 23.620 23.492 ( -25.240 8.954 31.515) 41.357 25.011 ( 3.333 -1.775 -3.098) 4.884 25.084 ( -1.169 0.624 -1.931) 2.342 25.445 ( 1.707 0.326 -3.934) 4.301 25.530 ( -1.587 -1.233 -4.038) 4.510 104.224 ( 1.533 -0.452 0.026) 1.598 104.313 ( -1.290 -0.852 -0.088) 1.549 104.463 ( 4.623 -4.503 -1.316) 6.586 104.535 ( 0.351 -1.790 -0.475) 1.885 105.835 ( 0.926 -2.662 0.117) 2.821 105.885 ( -0.866 -3.293 0.163) 3.409 106.105 ( 16.686 -10.885 -7.411) 21.256 106.447 ( -2.183 -9.055 -6.221) 11.201 ======================= Grid point 82 (30/120) ======================= q-point: (-0.50 0.07 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( -10.282 13.369 13.141) 21.381 1.114 ( 10.282 13.369 13.141) 21.381 1.257 ( -18.397 8.761 9.566) 22.510 1.257 ( 18.397 8.761 9.566) 22.510 1.745 ( -11.981 21.078 15.649) 28.857 1.745 ( 11.981 21.078 15.649) 28.857 3.086 ( -1.853 8.677 -3.972) 9.721 3.086 ( 1.853 8.677 -3.972) 9.721 3.184 ( -2.223 5.906 -3.235) 7.092 3.184 ( 2.223 5.906 -3.235) 7.092 3.540 ( -3.556 1.815 3.752) 5.479 3.540 ( 3.556 1.815 3.752) 5.479 3.832 ( -6.622 20.714 3.075) 21.963 3.832 ( 6.622 20.714 3.075) 21.963 4.048 ( -2.245 12.678 -0.849) 12.904 4.048 ( 2.245 12.678 -0.849) 12.904 4.663 ( -1.653 -2.309 -6.235) 6.851 4.663 ( 1.653 -2.309 -6.235) 6.851 4.832 ( -3.458 -4.842 -6.353) 8.704 4.832 ( 3.458 -4.842 -6.353) 8.704 5.745 ( -3.442 -3.609 -2.845) 5.741 5.745 ( 3.442 -3.609 -2.845) 5.741 6.319 ( -5.617 -22.364 -9.769) 25.042 6.319 ( 5.617 -22.364 -9.769) 25.042 8.196 ( -1.461 15.831 -14.224) 21.333 8.196 ( 1.461 15.831 -14.224) 21.333 9.244 ( -2.456 -3.369 19.108) 19.557 9.244 ( 2.456 -3.369 19.108) 19.557 9.516 ( -0.951 -5.368 -2.467) 5.984 9.516 ( 0.951 -5.368 -2.467) 5.984 9.810 ( -1.561 1.528 -2.092) 3.025 9.810 ( 1.561 1.528 -2.092) 3.025 10.105 ( -5.051 13.116 6.710) 15.574 10.105 ( 5.051 13.116 6.710) 15.574 11.108 ( -3.168 -6.603 7.826) 10.718 11.108 ( 3.168 -6.603 7.826) 10.718 11.448 ( -1.298 7.746 2.612) 8.277 11.448 ( 1.298 7.746 2.612) 8.277 11.688 ( -1.255 1.891 -5.240) 5.710 11.688 ( 1.255 1.891 -5.240) 5.710 12.619 ( -2.466 -2.418 4.872) 5.972 12.619 ( 2.466 -2.418 4.872) 5.972 13.040 ( -1.186 -3.637 -0.242) 3.833 13.040 ( 1.186 -3.637 -0.242) 3.833 13.797 ( -1.105 -1.684 -0.461) 2.066 13.797 ( 1.105 -1.684 -0.461) 2.066 14.516 ( -3.099 -11.641 -4.656) 12.915 14.516 ( 3.099 -11.641 -4.656) 12.915 17.690 ( -15.909 22.443 -4.689) 27.906 17.690 ( 15.909 22.443 -4.689) 27.906 18.518 ( -2.841 39.581 -10.876) 41.146 18.518 ( 2.841 39.581 -10.876) 41.146 21.984 ( -2.104 -19.172 3.585) 19.617 21.984 ( 2.104 -19.172 3.585) 19.617 22.369 ( -8.116 -18.603 14.078) 24.701 22.369 ( 8.116 -18.603 14.078) 24.701 22.987 ( -2.198 23.531 11.694) 26.368 22.987 ( 2.198 23.531 11.694) 26.368 23.225 ( -4.865 19.329 11.256) 22.891 23.225 ( 4.865 19.329 11.256) 22.891 25.057 ( -1.583 -0.492 -2.943) 3.378 25.057 ( 1.583 -0.492 -2.943) 3.378 25.488 ( -2.362 -0.580 -4.018) 4.697 25.488 ( 2.362 -0.580 -4.018) 4.697 104.268 ( -2.575 -0.720 0.202) 2.682 104.268 ( 2.575 -0.720 0.202) 2.682 104.525 ( -1.581 -2.781 -1.528) 3.545 104.525 ( 1.581 -2.781 -1.528) 3.545 105.860 ( -1.436 -2.990 0.227) 3.324 105.860 ( 1.436 -2.990 0.227) 3.324 106.356 ( -7.755 -11.673 -8.534) 16.408 106.356 ( 7.755 -11.673 -8.534) 16.408 ======================= Grid point 85 (31/120) ======================= q-point: ( 0.00 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( 0.000 18.595 8.650) 20.509 1.282 ( 0.000 24.944 7.279) 25.985 1.671 ( 0.000 15.973 8.803) 18.238 1.856 ( 0.000 -5.206 -0.619) 5.243 2.248 ( 0.000 39.510 15.036) 42.275 2.322 ( 0.000 29.539 11.591) 31.732 3.084 ( 0.000 1.265 -2.603) 2.894 3.238 ( 0.000 3.697 -1.457) 3.974 3.425 ( 0.000 9.106 3.397) 9.719 3.477 ( 0.000 6.801 1.364) 6.936 3.546 ( 0.000 20.785 -4.804) 21.333 3.725 ( 0.000 9.750 1.981) 9.950 4.172 ( 0.000 23.342 -1.285) 23.377 4.300 ( 0.000 17.058 -3.930) 17.505 4.415 ( 0.000 15.767 -3.005) 16.051 4.527 ( 0.000 0.463 -2.149) 2.198 4.590 ( 0.000 -2.254 -2.140) 3.109 4.591 ( 0.000 3.947 -3.921) 5.563 4.786 ( 0.000 -4.945 -3.615) 6.125 4.799 ( 0.000 7.381 -8.497) 11.256 5.593 ( 0.000 -3.078 -0.553) 3.127 5.664 ( 0.000 -5.903 0.798) 5.957 5.820 ( 0.000 -7.567 3.881) 8.504 5.941 ( 0.000 -15.663 -3.322) 16.011 8.425 ( 0.000 8.529 -16.174) 18.285 8.446 ( 0.000 6.211 -17.580) 18.645 9.122 ( 0.000 -6.532 6.217) 9.018 9.140 ( 0.000 -5.595 6.524) 8.595 9.324 ( 0.000 -12.718 1.138) 12.769 9.329 ( 0.000 -11.142 3.811) 11.776 9.906 ( 0.000 10.792 -1.370) 10.879 9.930 ( 0.000 4.692 -6.298) 7.854 10.222 ( 0.000 6.690 0.088) 6.691 10.338 ( 0.000 -3.007 -5.322) 6.113 10.940 ( 0.000 0.657 12.559) 12.577 11.251 ( 0.000 -4.271 19.225) 19.694 11.565 ( 0.000 4.245 2.006) 4.695 11.621 ( 0.000 5.955 -1.462) 6.132 11.742 ( 0.000 6.401 -5.256) 8.283 11.752 ( 0.000 2.948 -7.068) 7.658 12.601 ( 0.000 4.883 5.211) 7.141 12.628 ( 0.000 -1.284 1.629) 2.074 12.954 ( 0.000 -5.232 2.983) 6.022 12.992 ( 0.000 -1.171 3.981) 4.149 13.753 ( 0.000 -2.289 1.122) 2.550 13.770 ( 0.000 -3.099 -2.789) 4.169 14.257 ( 0.000 -5.488 0.998) 5.578 14.320 ( 0.000 -10.984 -3.528) 11.536 17.673 ( 0.000 15.950 0.648) 15.963 18.352 ( 0.000 11.595 1.491) 11.691 19.275 ( 0.000 36.208 -14.448) 38.985 19.854 ( 0.000 25.232 -50.420) 56.381 21.596 ( 0.000 -13.051 0.558) 13.063 21.727 ( 0.000 -10.525 -0.825) 10.557 21.897 ( 0.000 -13.096 3.399) 13.530 22.301 ( 0.000 -17.468 3.572) 17.829 23.280 ( 0.000 13.763 9.878) 16.941 23.559 ( 0.000 25.651 6.138) 26.376 23.654 ( 0.000 21.445 5.021) 22.025 23.724 ( 0.000 -5.745 24.447) 25.113 24.976 ( 0.000 3.303 0.882) 3.419 25.168 ( 0.000 5.886 1.938) 6.197 25.465 ( 0.000 3.032 -1.620) 3.438 25.507 ( 0.000 -2.083 -1.617) 2.637 104.212 ( 0.000 0.075 -0.207) 0.220 104.285 ( 0.000 -0.567 -0.156) 0.589 104.338 ( 0.000 -2.291 2.318) 3.259 104.499 ( 0.000 -1.713 -0.264) 1.733 105.776 ( 0.000 -3.424 -0.421) 3.449 105.786 ( 0.000 -3.122 0.106) 3.124 105.820 ( 0.000 -4.741 1.256) 4.905 106.249 ( 0.000 -12.140 -3.633) 12.672 ======================= Grid point 86 (32/120) ======================= q-point: ( 0.25 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( 12.901 13.208 7.354) 19.874 1.341 ( 5.505 23.436 7.183) 25.122 1.614 ( -5.555 16.562 8.544) 19.446 1.696 ( -13.520 -0.232 2.205) 13.701 2.284 ( 3.226 37.268 13.705) 39.839 2.360 ( 1.792 28.370 10.316) 30.240 3.107 ( 2.138 1.732 -2.527) 3.736 3.212 ( -2.267 3.698 -1.728) 4.669 3.425 ( 0.216 9.641 3.018) 10.105 3.468 ( -1.046 9.673 1.831) 9.900 3.579 ( 3.108 16.228 -3.860) 16.968 3.709 ( -1.767 10.725 0.594) 10.886 4.202 ( 3.271 23.664 -0.521) 23.895 4.321 ( 1.728 17.463 -3.908) 17.978 4.404 ( -1.027 16.234 -2.762) 16.499 4.469 ( -5.719 11.532 -0.582) 12.885 4.573 ( 0.751 -1.830 -4.474) 4.892 4.640 ( 1.417 -0.054 -2.920) 3.246 4.718 ( -4.218 1.806 -5.477) 7.145 4.772 ( -1.773 -4.491 -3.550) 5.993 5.603 ( 1.251 -4.739 -1.636) 5.167 5.707 ( -1.049 -5.847 -0.827) 5.998 5.822 ( 4.599 -10.775 1.509) 11.812 5.967 ( 0.833 -15.308 -2.156) 15.481 8.426 ( 0.090 8.142 -16.198) 18.130 8.440 ( -0.497 6.503 -17.192) 18.387 9.127 ( 0.432 -6.509 6.206) 9.004 9.140 ( -0.028 -5.779 6.393) 8.618 9.325 ( 0.114 -12.499 1.550) 12.595 9.329 ( -0.027 -11.362 3.299) 11.831 9.909 ( 0.316 9.824 -2.230) 10.079 9.926 ( -0.355 5.549 -5.633) 7.915 10.241 ( 1.739 5.714 -0.704) 6.014 10.323 ( -1.427 -1.358 -4.739) 5.132 10.970 ( 3.022 1.492 14.389) 14.778 11.186 ( -5.715 -1.037 19.666) 20.506 11.570 ( 0.596 5.340 1.011) 5.468 11.613 ( -0.873 5.749 -0.393) 5.828 11.741 ( 0.245 4.785 -6.536) 8.104 11.756 ( 0.065 3.953 -6.141) 7.304 12.594 ( -0.428 3.216 5.059) 6.010 12.615 ( -1.136 -1.239 2.401) 2.931 12.957 ( 0.349 -4.289 2.776) 5.121 12.984 ( -0.710 -1.752 3.623) 4.086 13.747 ( -0.186 -2.277 0.229) 2.296 13.766 ( -0.512 -3.031 -1.755) 3.540 14.273 ( 1.367 -6.797 0.203) 6.936 14.316 ( -0.448 -10.451 -2.877) 10.849 17.781 ( 10.275 15.878 -0.274) 18.914 18.277 ( -7.791 11.936 -0.039) 14.254 19.297 ( 2.590 37.004 -15.704) 40.282 19.677 ( -14.626 32.194 -39.349) 52.903 21.612 ( 1.499 -12.932 0.514) 13.029 21.701 ( -2.204 -11.309 -0.512) 11.533 21.933 ( 3.393 -12.770 4.750) 14.041 22.196 ( -8.577 -15.445 7.247) 19.096 23.305 ( 2.542 13.612 10.888) 17.615 23.521 ( -5.510 17.528 12.872) 22.434 23.639 ( -2.446 12.945 10.899) 17.098 23.651 ( -1.270 18.979 9.122) 21.096 25.015 ( 3.167 2.675 0.219) 4.151 25.141 ( -2.401 5.264 1.066) 5.883 25.467 ( 0.360 2.107 -1.703) 2.733 25.500 ( -0.737 -1.344 -1.583) 2.203 104.216 ( 1.010 -0.208 0.206) 1.052 104.292 ( -1.337 -1.065 0.236) 1.726 104.382 ( 4.534 -3.056 0.262) 5.474 104.494 ( -0.725 -2.215 -0.423) 2.369 105.766 ( 0.376 -3.643 0.239) 3.671 105.799 ( -0.638 -4.681 0.482) 4.749 105.921 ( 9.178 -7.219 -1.542) 11.778 106.216 ( -3.403 -12.298 -3.763) 13.304 ======================= Grid point 87 (33/120) ======================= q-point: (-0.50 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( -16.355 5.759 4.642) 17.950 1.365 ( 16.355 5.759 4.642) 17.950 1.485 ( -7.225 19.517 8.164) 22.356 1.485 ( 7.225 19.517 8.164) 22.356 2.351 ( -2.573 32.037 11.237) 34.047 2.351 ( 2.573 32.037 11.237) 34.047 3.159 ( -2.767 2.883 -2.207) 4.565 3.159 ( 2.767 2.883 -2.207) 4.565 3.441 ( -1.336 10.364 2.410) 10.724 3.441 ( 1.336 10.364 2.410) 10.724 3.652 ( -3.644 12.715 -1.829) 13.353 3.652 ( 3.644 12.715 -1.829) 13.353 4.305 ( -5.970 22.631 -1.139) 23.432 4.305 ( 5.970 22.631 -1.139) 23.432 4.380 ( -0.833 16.437 -1.606) 16.536 4.380 ( 0.833 16.437 -1.606) 16.536 4.606 ( -2.459 -1.351 -4.452) 5.262 4.606 ( 2.459 -1.351 -4.452) 5.262 4.726 ( -2.536 -4.295 -3.320) 5.992 4.726 ( 2.536 -4.295 -3.320) 5.992 5.647 ( -3.056 -5.517 -1.306) 6.441 5.647 ( 3.056 -5.517 -1.306) 6.441 5.935 ( -4.208 -14.515 -1.614) 15.199 5.935 ( 4.208 -14.515 -1.614) 15.199 8.430 ( -0.403 7.277 -16.515) 18.052 8.430 ( 0.403 7.277 -16.515) 18.052 9.136 ( -0.367 -6.231 6.230) 8.819 9.136 ( 0.367 -6.231 6.230) 8.819 9.328 ( -0.137 -11.924 2.376) 12.159 9.328 ( 0.137 -11.924 2.376) 12.159 9.917 ( -0.456 7.629 -4.027) 8.638 9.917 ( 0.456 7.629 -4.027) 8.638 10.284 ( -2.274 2.522 -2.838) 4.425 10.284 ( 2.274 2.522 -2.838) 4.425 11.061 ( -5.870 2.189 18.085) 19.139 11.061 ( 5.870 2.189 18.085) 19.139 11.590 ( -1.249 5.885 0.272) 6.022 11.590 ( 1.249 5.885 0.272) 6.022 11.751 ( -0.547 4.128 -6.385) 7.623 11.751 ( 0.547 4.128 -6.385) 7.623 12.595 ( -0.598 0.152 3.996) 4.043 12.595 ( 0.598 0.152 3.996) 4.043 12.968 ( -0.755 -2.860 2.941) 4.171 12.968 ( 0.755 -2.860 2.941) 4.171 13.752 ( -0.638 -2.641 -0.711) 2.808 13.752 ( 0.638 -2.641 -0.711) 2.808 14.300 ( -1.117 -8.959 -1.387) 9.134 14.300 ( 1.117 -8.959 -1.387) 9.134 18.044 ( -14.182 14.284 -1.589) 20.191 18.044 ( 14.182 14.284 -1.589) 20.191 19.411 ( -9.626 37.884 -22.310) 45.007 19.411 ( 9.626 37.884 -22.310) 45.007 21.652 ( -2.393 -12.381 0.174) 12.612 21.652 ( 2.393 -12.381 0.174) 12.612 22.033 ( -6.687 -13.133 7.652) 16.605 22.033 ( 6.687 -13.133 7.652) 16.605 23.387 ( -5.776 13.044 13.934) 19.942 23.387 ( 5.776 13.044 13.934) 19.942 23.634 ( -0.798 20.848 6.652) 21.898 23.634 ( 0.798 20.848 6.652) 21.898 25.082 ( -3.250 3.599 0.096) 4.850 25.082 ( 3.250 3.599 0.096) 4.850 25.481 ( -0.970 0.292 -1.662) 1.947 25.481 ( 0.970 0.292 -1.662) 1.947 104.251 ( -2.216 -0.727 0.409) 2.367 104.251 ( 2.216 -0.727 0.409) 2.367 104.461 ( -2.743 -3.108 -0.716) 4.207 104.461 ( 2.743 -3.108 -0.716) 4.207 105.781 ( -0.958 -4.233 0.430) 4.362 105.781 ( 0.958 -4.233 0.430) 4.362 106.105 ( -7.775 -11.574 -3.547) 14.387 106.105 ( 7.775 -11.574 -3.547) 14.387 ======================= Grid point 90 (34/120) ======================= q-point: ( 0.00 0.21 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( 0.000 19.215 5.477) 19.980 1.772 ( 0.000 -2.808 3.574) 4.545 1.801 ( 0.000 24.662 1.898) 24.735 2.030 ( 0.000 18.239 5.261) 18.983 2.790 ( 0.000 11.984 2.310) 12.205 2.817 ( 0.000 7.687 -0.752) 7.723 3.308 ( 0.000 26.734 8.945) 28.191 3.425 ( 0.000 16.993 4.408) 17.556 3.509 ( 0.000 4.024 1.357) 4.247 3.620 ( 0.000 6.102 4.945) 7.855 3.975 ( 0.000 18.324 -7.345) 19.741 4.074 ( 0.000 19.147 -5.136) 19.824 4.398 ( 0.000 -3.599 -5.873) 6.888 4.484 ( 0.000 -1.817 -2.427) 3.032 4.517 ( 0.000 -0.582 -4.088) 4.130 4.600 ( 0.000 -0.367 -2.757) 2.782 4.697 ( 0.000 18.986 1.451) 19.041 4.861 ( 0.000 20.001 1.055) 20.029 4.877 ( 0.000 17.644 0.337) 17.647 5.025 ( 0.000 11.325 -7.035) 13.333 5.518 ( 0.000 -4.080 -0.630) 4.128 5.540 ( 0.000 -5.475 1.553) 5.691 5.663 ( 0.000 -11.376 -0.666) 11.395 5.690 ( 0.000 -4.678 3.822) 6.041 8.511 ( 0.000 -0.875 -12.948) 12.978 8.511 ( 0.000 -0.283 -13.986) 13.989 9.010 ( 0.000 -2.197 -0.285) 2.215 9.040 ( 0.000 -10.865 9.418) 14.379 9.060 ( 0.000 -13.724 5.082) 14.635 9.079 ( 0.000 -2.793 -5.397) 6.077 10.047 ( 0.000 6.478 -5.716) 8.639 10.134 ( 0.000 9.934 -1.638) 10.068 10.252 ( 0.000 -1.733 -9.595) 9.751 10.264 ( 0.000 -3.338 -5.727) 6.629 11.064 ( 0.000 7.484 23.072) 24.255 11.150 ( 0.000 -5.237 26.279) 26.796 11.700 ( 0.000 7.467 -5.662) 9.371 11.747 ( 0.000 7.301 -8.164) 10.953 11.809 ( 0.000 2.603 -10.371) 10.693 11.858 ( 0.000 3.782 -6.291) 7.340 12.579 ( 0.000 -4.011 0.577) 4.052 12.635 ( 0.000 -3.204 0.082) 3.205 12.913 ( 0.000 3.101 11.600) 12.007 12.997 ( 0.000 2.044 9.493) 9.711 13.693 ( 0.000 -3.485 -0.099) 3.486 13.693 ( 0.000 -4.283 -3.158) 5.321 14.132 ( 0.000 -7.021 -1.645) 7.212 14.144 ( 0.000 -5.097 0.872) 5.171 17.996 ( 0.000 15.043 1.700) 15.139 18.604 ( 0.000 12.256 3.056) 12.631 19.858 ( 0.000 17.366 -16.935) 24.257 20.118 ( 0.000 3.288 -19.097) 19.378 21.396 ( 0.000 -6.382 -1.633) 6.587 21.644 ( 0.000 2.619 -11.477) 11.772 21.684 ( 0.000 -7.588 -0.017) 7.588 22.019 ( 0.000 -9.599 -3.912) 10.365 23.506 ( 0.000 8.023 10.084) 12.887 23.645 ( 0.000 -2.138 15.924) 16.067 23.994 ( 0.000 13.895 0.787) 13.917 24.072 ( 0.000 19.762 3.690) 20.104 25.095 ( 0.000 8.416 2.720) 8.845 25.344 ( 0.000 10.732 4.498) 11.637 25.478 ( 0.000 -0.052 3.616) 3.616 25.559 ( 0.000 6.121 2.028) 6.449 104.215 ( 0.000 0.228 -0.133) 0.264 104.272 ( 0.000 -0.643 -0.128) 0.656 104.301 ( 0.000 -1.291 1.522) 1.996 104.458 ( 0.000 -2.201 -0.327) 2.225 105.694 ( 0.000 -4.263 -0.197) 4.268 105.713 ( 0.000 -3.770 0.034) 3.770 105.726 ( 0.000 -4.265 0.908) 4.361 105.993 ( 0.000 -12.038 -2.006) 12.204 ======================= Grid point 91 (35/120) ======================= q-point: ( 0.25 0.21 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( 5.233 15.935 5.468) 17.640 1.685 ( -7.720 0.752 4.093) 8.770 1.835 ( 3.224 23.700 2.640) 24.064 1.997 ( -3.100 19.108 4.809) 19.946 2.811 ( 1.551 10.655 1.330) 10.849 2.825 ( 0.661 8.022 -0.501) 8.065 3.329 ( 1.855 24.951 7.800) 26.207 3.408 ( -1.448 17.808 4.268) 18.369 3.531 ( 1.862 5.189 2.746) 6.159 3.607 ( -1.237 6.124 4.886) 7.931 3.985 ( 1.168 18.247 -7.311) 19.692 4.059 ( -1.418 18.434 -5.642) 19.330 4.417 ( 1.746 -3.443 -5.797) 6.965 4.479 ( -0.596 -2.205 -3.315) 4.026 4.534 ( 1.486 -1.413 -3.451) 4.014 4.587 ( -0.997 -0.082 -2.245) 2.458 4.730 ( 3.170 18.789 0.889) 19.075 4.858 ( -0.298 19.881 0.858) 19.901 4.870 ( -0.525 17.978 0.367) 17.989 4.958 ( -5.814 14.162 -4.297) 15.901 5.504 ( 0.299 -4.547 0.421) 4.576 5.582 ( -0.731 -5.889 0.042) 5.934 5.631 ( 1.543 -8.149 0.406) 8.303 5.716 ( 0.461 -8.741 1.174) 8.831 8.507 ( -0.179 -0.444 -13.372) 13.381 8.511 ( -0.178 -0.482 -13.348) 13.358 9.007 ( 0.006 -5.190 2.173) 5.627 9.037 ( -0.962 -8.684 7.803) 11.715 9.062 ( 0.854 -10.156 0.310) 10.196 9.084 ( 0.124 -5.995 -1.536) 6.190 10.061 ( 1.299 7.269 -4.999) 8.917 10.123 ( -1.081 9.949 -1.992) 10.204 10.250 ( 0.075 -2.902 -9.014) 9.470 10.265 ( -0.150 -2.922 -6.795) 7.398 11.082 ( 1.619 5.746 23.686) 24.427 11.143 ( -0.756 -3.371 26.000) 26.228 11.704 ( 0.461 7.210 -5.905) 9.331 11.741 ( -0.704 7.458 -7.265) 10.435 11.812 ( 0.513 2.686 -10.273) 10.630 11.851 ( -0.691 3.530 -7.636) 8.440 12.575 ( -0.003 -3.208 1.395) 3.498 12.622 ( -1.315 -2.360 0.701) 2.791 12.923 ( 1.045 2.648 10.872) 11.239 12.983 ( -1.294 2.062 9.461) 9.769 13.687 ( -0.219 -3.599 -1.509) 3.909 13.693 ( -0.222 -3.946 -1.677) 4.293 14.136 ( 0.332 -6.829 -1.231) 6.947 14.145 ( 0.013 -5.501 0.519) 5.525 18.093 ( 9.084 14.266 1.261) 16.959 18.528 ( -7.495 11.989 2.060) 14.289 19.878 ( 2.135 16.849 -16.505) 23.682 20.060 ( -5.117 7.250 -17.941) 20.016 21.416 ( 2.031 -6.071 -2.072) 6.729 21.567 ( -4.735 -2.761 -6.449) 8.464 21.755 ( 4.349 -3.301 -3.145) 6.301 21.960 ( -5.058 -7.265 -2.540) 9.210 23.514 ( 0.910 6.888 10.479) 12.573 23.610 ( -3.023 0.353 14.625) 14.939 24.011 ( 1.497 14.921 1.301) 15.052 24.066 ( -0.672 18.972 3.382) 19.282 25.128 ( 3.058 8.101 2.800) 9.100 25.297 ( -3.962 9.079 4.038) 10.697 25.496 ( 1.364 2.177 3.340) 4.214 25.548 ( -1.023 5.707 2.273) 6.228 104.216 ( 0.586 0.168 0.242) 0.656 104.273 ( -1.164 -0.684 0.364) 1.398 104.332 ( 3.408 -1.928 0.329) 3.930 104.445 ( -1.347 -2.416 -0.376) 2.792 105.689 ( -0.053 -3.802 0.096) 3.803 105.703 ( -0.456 -4.407 0.611) 4.472 105.787 ( 4.630 -5.978 -0.435) 7.574 105.966 ( -2.681 -11.453 -1.896) 11.915 ======================= Grid point 92 (36/120) ======================= q-point: (-0.50 0.21 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.508 ( -8.803 8.373 5.111) 13.180 1.508 ( 8.803 8.373 5.111) 13.180 1.917 ( -4.465 21.375 3.752) 22.156 1.917 ( 4.465 21.375 3.752) 22.156 2.832 ( -0.279 8.926 0.092) 8.931 2.832 ( 0.279 8.926 0.092) 8.931 3.372 ( -2.125 21.116 5.599) 21.949 3.372 ( 2.125 21.116 5.599) 21.949 3.572 ( -2.058 6.076 4.241) 7.690 3.572 ( 2.058 6.076 4.241) 7.690 4.021 ( -2.144 17.940 -6.674) 19.261 4.021 ( 2.144 17.940 -6.674) 19.261 4.455 ( -1.728 -3.066 -5.037) 6.145 4.455 ( 1.728 -3.066 -5.037) 6.145 4.565 ( -1.309 -1.396 -2.336) 3.020 4.565 ( 1.309 -1.396 -2.336) 3.020 4.821 ( -5.391 18.322 -0.741) 19.113 4.821 ( 5.391 18.322 -0.741) 19.113 4.864 ( -0.522 18.827 0.611) 18.845 4.864 ( 0.522 18.827 0.611) 18.845 5.532 ( -2.376 -5.137 0.408) 5.674 5.532 ( 2.376 -5.137 0.408) 5.674 5.693 ( -2.599 -9.236 -0.231) 9.597 5.693 ( 2.599 -9.236 -0.231) 9.597 8.507 ( -0.127 -0.349 -13.253) 13.258 8.507 ( 0.127 -0.349 -13.253) 13.258 9.016 ( -0.859 -7.398 4.356) 8.628 9.016 ( 0.859 -7.398 4.356) 8.628 9.079 ( -0.648 -7.837 -0.014) 7.863 9.079 ( 0.648 -7.837 -0.014) 7.863 10.093 ( -1.733 8.922 -3.375) 9.695 10.093 ( 1.733 8.922 -3.375) 9.695 10.257 ( -0.504 -3.194 -8.086) 8.709 10.257 ( 0.504 -3.194 -8.086) 8.709 11.118 ( -1.670 1.248 25.008) 25.095 11.118 ( 1.670 1.248 25.008) 25.095 11.721 ( -1.121 7.143 -6.324) 9.606 11.721 ( 1.121 7.143 -6.324) 9.606 11.831 ( -1.181 3.155 -9.511) 10.090 11.831 ( 1.181 3.155 -9.511) 10.090 12.590 ( -1.439 -1.962 1.780) 3.015 12.590 ( 1.439 -1.962 1.780) 3.015 12.951 ( -1.633 2.151 9.776) 10.142 12.951 ( 1.633 2.151 9.776) 10.142 13.687 ( -0.219 -3.671 -1.559) 3.994 13.687 ( 0.219 -3.671 -1.559) 3.994 14.143 ( -0.236 -6.266 -0.326) 6.279 14.143 ( 0.236 -6.266 -0.326) 6.279 18.321 ( -12.158 12.621 0.916) 17.548 18.321 ( 12.158 12.621 0.916) 17.548 19.950 ( -4.988 13.820 -16.331) 21.968 19.950 ( 4.988 13.820 -16.331) 21.968 21.477 ( -3.917 -4.930 -3.733) 7.320 21.477 ( 3.917 -4.930 -3.733) 7.320 21.851 ( -5.232 -4.084 -2.068) 6.952 21.851 ( 5.232 -4.084 -2.068) 6.952 23.549 ( -2.586 4.171 12.094) 13.051 23.549 ( 2.586 4.171 12.094) 13.051 24.044 ( -1.489 17.085 2.437) 17.322 24.044 ( 1.489 17.085 2.437) 17.322 25.208 ( -4.555 8.036 3.247) 9.791 25.208 ( 4.555 8.036 3.247) 9.791 25.523 ( -1.313 4.409 2.785) 5.378 25.523 ( 1.313 4.409 2.785) 5.378 104.241 ( -1.695 -0.250 0.464) 1.775 104.241 ( 1.695 -0.250 0.464) 1.775 104.402 ( -2.983 -2.596 -0.351) 3.970 104.402 ( 2.983 -2.596 -0.351) 3.970 105.694 ( -0.420 -4.116 0.413) 4.158 105.694 ( 0.420 -4.116 0.413) 4.158 105.888 ( -4.853 -9.352 -1.409) 10.630 105.888 ( 4.853 -9.352 -1.409) 10.630 ======================= Grid point 95 (37/120) ======================= q-point: ( 0.00 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( 0.000 16.681 3.549) 17.055 1.742 ( 0.000 0.110 6.433) 6.434 2.294 ( 0.000 22.824 -0.491) 22.829 2.416 ( 0.000 18.873 2.398) 19.025 2.800 ( 0.000 -4.539 -1.707) 4.850 2.844 ( 0.000 -3.859 -1.473) 4.130 3.615 ( 0.000 6.308 -0.330) 6.316 3.689 ( 0.000 6.775 3.831) 7.783 3.881 ( 0.000 23.297 5.766) 24.000 4.022 ( 0.000 31.008 6.916) 31.770 4.160 ( 0.000 -1.346 -10.369) 10.456 4.284 ( 0.000 -3.608 -10.839) 11.423 4.313 ( 0.000 -3.476 -2.604) 4.343 4.475 ( 0.000 -2.299 -5.019) 5.520 4.573 ( 0.000 12.050 1.336) 12.124 4.670 ( 0.000 11.987 3.770) 12.566 5.074 ( 0.000 13.481 1.484) 13.563 5.203 ( 0.000 5.351 -3.877) 6.607 5.245 ( 0.000 14.470 -2.434) 14.673 5.277 ( 0.000 17.853 0.815) 17.872 5.429 ( 0.000 -3.722 -0.380) 3.741 5.474 ( 0.000 0.411 0.385) 0.563 5.479 ( 0.000 -4.638 1.598) 4.905 5.652 ( 0.000 1.775 4.681) 5.007 8.401 ( 0.000 -7.964 -7.043) 10.632 8.436 ( 0.000 -6.039 -8.555) 10.471 8.764 ( 0.000 -13.619 9.477) 16.592 8.788 ( 0.000 -11.760 6.607) 13.489 9.090 ( 0.000 8.170 -8.049) 11.469 9.141 ( 0.000 6.674 -6.682) 9.444 10.160 ( 0.000 -3.732 -11.603) 12.188 10.171 ( 0.000 2.160 -10.196) 10.422 10.228 ( 0.000 2.864 -2.628) 3.887 10.361 ( 0.000 9.033 -2.582) 9.395 11.038 ( 0.000 -5.492 24.850) 25.449 11.141 ( 0.000 -0.384 24.088) 24.091 11.773 ( 0.000 -0.431 -7.162) 7.175 11.879 ( 0.000 -1.485 -9.126) 9.246 11.928 ( 0.000 8.039 -7.983) 11.329 11.935 ( 0.000 9.825 -9.482) 13.654 12.471 ( 0.000 -5.371 -2.823) 6.067 12.509 ( 0.000 -7.021 -2.846) 7.576 13.047 ( 0.000 7.843 15.209) 17.112 13.072 ( 0.000 4.503 12.308) 13.106 13.599 ( 0.000 -4.328 -3.248) 5.412 13.615 ( 0.000 -3.642 -1.013) 3.780 14.022 ( 0.000 -3.931 0.427) 3.954 14.051 ( 0.000 -3.951 1.395) 4.190 18.300 ( 0.000 14.585 3.411) 14.979 18.846 ( 0.000 10.896 4.252) 11.697 19.973 ( 0.000 -4.004 -10.117) 10.881 20.087 ( 0.000 -5.287 -3.561) 6.374 21.324 ( 0.000 -0.768 -3.502) 3.586 21.577 ( 0.000 -2.968 -3.179) 4.349 21.758 ( 0.000 4.820 -17.431) 18.086 21.898 ( 0.000 -2.052 -11.651) 11.830 23.600 ( 0.000 2.485 8.018) 8.395 23.678 ( 0.000 5.055 10.140) 11.331 24.172 ( 0.000 4.184 -2.227) 4.740 24.387 ( 0.000 9.262 -2.498) 9.593 25.315 ( 0.000 12.239 4.711) 13.115 25.538 ( 0.000 6.297 10.822) 12.521 25.582 ( 0.000 11.390 5.267) 12.549 25.712 ( 0.000 8.422 6.544) 10.666 104.221 ( 0.000 0.299 0.041) 0.301 104.259 ( 0.000 -0.586 -0.073) 0.591 104.283 ( 0.000 -0.543 0.860) 1.017 104.410 ( 0.000 -2.362 -0.374) 2.391 105.608 ( 0.000 -3.858 0.102) 3.860 105.635 ( 0.000 -3.627 -0.020) 3.627 105.643 ( 0.000 -3.727 0.390) 3.748 105.767 ( 0.000 -9.494 -0.851) 9.532 ======================= Grid point 96 (38/120) ======================= q-point: ( 0.25 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( 0.240 14.649 3.954) 15.175 1.726 ( -1.336 3.381 6.041) 7.050 2.312 ( 1.656 22.162 0.058) 22.224 2.397 ( -1.701 19.349 2.102) 19.537 2.813 ( 1.134 -4.589 -1.801) 5.059 2.845 ( -0.056 -4.266 -1.652) 4.575 3.626 ( 0.991 6.295 0.126) 6.374 3.676 ( -1.119 6.718 2.892) 7.399 3.913 ( 2.644 24.264 6.365) 25.224 4.007 ( -1.420 29.816 6.936) 30.645 4.169 ( 0.902 -1.720 -10.434) 10.614 4.246 ( -2.404 -2.998 -9.179) 9.951 4.356 ( 2.854 -3.372 -4.481) 6.292 4.458 ( -1.616 -2.440 -4.855) 5.669 4.586 ( 1.256 11.683 1.569) 11.855 4.656 ( -1.364 11.674 3.326) 12.215 5.095 ( 1.902 12.662 1.219) 12.862 5.181 ( -1.823 7.187 -2.787) 7.921 5.242 ( -0.120 14.626 -1.962) 14.757 5.270 ( -0.832 16.812 0.258) 16.834 5.428 ( 0.423 -2.264 0.593) 2.378 5.472 ( -0.812 -3.677 1.525) 4.062 5.510 ( 2.898 -0.707 -0.072) 2.984 5.628 ( -2.201 0.849 3.546) 4.259 8.407 ( 0.522 -7.596 -7.191) 10.473 8.431 ( -0.456 -6.246 -8.286) 10.386 8.765 ( 0.140 -13.211 8.954) 15.961 8.782 ( -0.504 -11.936 7.014) 13.854 9.097 ( 0.578 7.714 -7.751) 10.951 9.131 ( -0.822 6.699 -6.788) 9.572 10.164 ( 0.580 -2.920 -11.072) 11.465 10.185 ( 0.554 -1.636 -11.613) 11.740 10.237 ( 1.368 6.253 -1.762) 6.639 10.340 ( -2.002 8.915 -2.837) 9.568 11.052 ( 1.395 -5.083 24.875) 25.427 11.126 ( -1.447 -1.542 24.343) 24.434 11.778 ( 0.643 -0.333 -7.031) 7.068 11.846 ( -2.362 -0.439 -7.520) 7.894 11.939 ( 0.653 8.837 -10.631) 13.840 11.945 ( 0.603 8.167 -8.767) 11.997 12.479 ( 0.789 -5.278 -2.687) 5.975 12.509 ( -0.135 -6.733 -3.064) 7.398 13.047 ( 0.105 7.453 14.952) 16.707 13.066 ( -0.575 5.082 12.851) 13.831 13.601 ( 0.142 -4.156 -2.883) 5.060 13.612 ( -0.291 -3.679 -1.310) 3.916 14.027 ( 0.430 -3.997 0.586) 4.063 14.047 ( -0.360 -4.010 1.266) 4.220 18.380 ( 7.516 13.709 3.183) 15.955 18.766 ( -7.524 10.933 3.634) 13.760 19.991 ( 1.698 -3.657 -8.709) 9.598 20.072 ( -1.446 -4.678 -4.182) 6.439 21.349 ( 2.439 -0.761 -3.905) 4.667 21.519 ( -4.722 -1.800 -4.819) 6.983 21.791 ( 2.459 3.374 -14.678) 15.260 21.881 ( -1.585 -0.844 -11.749) 11.885 23.602 ( 0.346 2.984 8.147) 8.683 23.656 ( -1.850 4.584 9.613) 10.810 24.213 ( 3.685 5.065 -2.149) 6.623 24.363 ( -2.350 8.572 -2.430) 9.214 25.338 ( 2.263 11.774 5.256) 13.091 25.480 ( -3.925 8.908 8.252) 12.761 25.624 ( 2.421 9.313 7.133) 11.978 25.700 ( -1.206 8.577 6.741) 10.975 104.222 ( 0.433 0.347 0.243) 0.606 104.264 ( -0.808 -0.199 0.194) 0.855 104.299 ( 2.364 -1.355 0.271) 2.738 104.395 ( -1.474 -2.355 -0.356) 2.801 105.610 ( 0.134 -3.721 0.146) 3.726 105.622 ( -0.542 -3.416 0.296) 3.471 105.673 ( 2.040 -5.004 -0.114) 5.405 105.754 ( -1.322 -8.867 -0.767) 8.998 ======================= Grid point 97 (39/120) ======================= q-point: (-0.50 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.699 ( -1.143 9.620 5.000) 10.902 1.699 ( 1.143 9.620 5.000) 10.902 2.355 ( -2.350 20.671 1.204) 20.839 2.355 ( 2.350 20.671 1.204) 20.839 2.836 ( -0.906 -4.644 -1.854) 5.081 2.836 ( 0.906 -4.644 -1.854) 5.081 3.650 ( -1.355 6.404 1.329) 6.679 3.650 ( 1.355 6.404 1.329) 6.679 3.967 ( -2.471 27.113 6.914) 28.090 3.967 ( 2.471 27.113 6.914) 28.090 4.199 ( -2.057 -2.463 -9.996) 10.498 4.199 ( 2.057 -2.463 -9.996) 10.498 4.414 ( -2.663 -2.822 -4.559) 5.987 4.414 ( 2.663 -2.822 -4.559) 5.987 4.620 ( -1.974 11.319 2.336) 11.725 4.620 ( 1.974 11.319 2.336) 11.725 5.139 ( -2.281 10.084 -0.376) 10.345 5.139 ( 2.281 10.084 -0.376) 10.345 5.249 ( -0.889 15.680 -0.860) 15.729 5.249 ( 0.889 15.680 -0.860) 15.729 5.448 ( -1.362 -2.133 1.218) 2.808 5.448 ( 1.362 -2.133 1.218) 2.808 5.573 ( -3.105 -0.619 1.210) 3.389 5.573 ( 3.105 -0.619 1.210) 3.389 8.420 ( -0.669 -6.840 -7.678) 10.305 8.420 ( 0.669 -6.840 -7.678) 10.305 8.771 ( -0.463 -12.467 7.928) 14.781 8.771 ( 0.463 -12.467 7.928) 14.781 9.112 ( -0.952 6.999 -7.177) 10.070 9.112 ( 0.952 6.999 -7.177) 10.070 10.180 ( -0.761 -3.046 -10.903) 11.346 10.180 ( 0.761 -3.046 -10.903) 11.346 10.287 ( -3.018 8.496 -2.877) 9.464 10.287 ( 3.018 8.496 -2.877) 9.464 11.089 ( -2.040 -3.686 24.753) 25.108 11.089 ( 2.040 -3.686 24.753) 25.108 11.802 ( -1.778 -0.276 -6.936) 7.166 11.802 ( 1.778 -0.276 -6.936) 7.166 11.949 ( -0.216 8.538 -10.128) 13.248 11.949 ( 0.216 8.538 -10.128) 13.248 12.498 ( -0.920 -5.816 -2.927) 6.576 12.498 ( 0.920 -5.816 -2.927) 6.576 13.054 ( -0.519 6.360 14.044) 15.425 13.054 ( 0.519 6.360 14.044) 15.425 13.605 ( -0.303 -3.852 -2.064) 4.380 13.605 ( 0.303 -3.852 -2.064) 4.380 14.037 ( -0.558 -4.065 0.940) 4.210 14.037 ( 0.558 -4.065 0.940) 4.210 18.573 ( -10.673 11.926 3.007) 16.284 18.573 ( 10.673 11.926 3.007) 16.284 20.033 ( -2.216 -3.707 -6.070) 7.450 20.033 ( 2.216 -3.707 -6.070) 7.450 21.420 ( -4.542 -0.956 -4.786) 6.667 21.420 ( 4.542 -0.956 -4.786) 6.667 21.840 ( -2.362 1.401 -12.489) 12.787 21.840 ( 2.362 1.401 -12.489) 12.787 23.620 ( -1.456 3.819 8.711) 9.622 23.620 ( 1.456 3.819 8.711) 9.622 24.296 ( -4.057 6.889 -2.246) 8.304 24.296 ( 4.057 6.889 -2.246) 8.304 25.400 ( -3.756 10.553 6.603) 13.002 25.400 ( 3.756 10.553 6.603) 13.002 25.668 ( -1.919 8.840 7.105) 11.503 25.668 ( 1.919 8.840 7.105) 11.503 104.240 ( -1.271 0.146 0.352) 1.327 104.240 ( 1.271 0.146 0.352) 1.327 104.353 ( -2.619 -2.107 -0.224) 3.369 104.353 ( 2.619 -2.107 -0.224) 3.369 105.614 ( -0.310 -3.526 0.256) 3.549 105.614 ( 0.310 -3.526 0.256) 3.549 105.717 ( -2.190 -7.129 -0.507) 7.475 105.717 ( 2.190 -7.129 -0.507) 7.475 ======================= Grid point 100 (40/120) ======================= q-point: ( 0.00 0.36 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( 0.000 4.436 7.266) 8.513 1.990 ( 0.000 12.805 2.190) 12.991 2.670 ( 0.000 -2.976 -2.116) 3.651 2.693 ( 0.000 -10.092 -0.805) 10.124 2.759 ( 0.000 17.378 -0.051) 17.378 2.805 ( 0.000 18.550 0.028) 18.550 3.765 ( 0.000 7.962 -1.503) 8.102 3.817 ( 0.000 5.933 0.636) 5.967 4.014 ( 0.000 -8.732 -8.899) 12.468 4.103 ( 0.000 -11.198 -8.200) 13.879 4.223 ( 0.000 -1.653 -2.398) 2.912 4.325 ( 0.000 4.782 1.053) 4.897 4.445 ( 0.000 8.274 0.997) 8.334 4.607 ( 0.000 23.945 4.571) 24.377 4.831 ( 0.000 10.682 -0.123) 10.682 4.957 ( 0.000 12.913 2.225) 13.103 5.178 ( 0.000 -0.187 -0.794) 0.816 5.270 ( 0.000 0.405 4.003) 4.023 5.279 ( 0.000 -4.547 -1.460) 4.775 5.326 ( 0.000 -3.911 -0.377) 3.929 5.595 ( 0.000 9.465 -1.968) 9.668 5.604 ( 0.000 11.579 0.719) 11.601 5.651 ( 0.000 13.628 0.904) 13.658 5.751 ( 0.000 6.536 3.625) 7.474 8.246 ( 0.000 -6.071 -2.322) 6.500 8.308 ( 0.000 -5.474 -3.470) 6.481 8.509 ( 0.000 -10.731 8.844) 13.906 8.556 ( 0.000 -10.599 6.165) 12.261 9.307 ( 0.000 12.035 -9.535) 15.355 9.325 ( 0.000 10.558 -9.773) 14.387 10.074 ( 0.000 -4.605 -15.752) 16.411 10.128 ( 0.000 -3.915 -13.274) 13.839 10.371 ( 0.000 7.980 -0.397) 7.990 10.529 ( 0.000 6.989 0.771) 7.031 10.930 ( 0.000 -4.711 20.796) 21.323 11.071 ( 0.000 -5.692 20.017) 20.811 11.747 ( 0.000 -1.313 -5.916) 6.060 11.823 ( 0.000 -3.100 -7.061) 7.712 12.021 ( 0.000 -0.979 3.258) 3.402 12.063 ( 0.000 -0.227 1.956) 1.970 12.440 ( 0.000 3.173 -15.566) 15.886 12.440 ( 0.000 4.410 -13.193) 13.910 13.132 ( 0.000 -0.238 6.446) 6.450 13.153 ( 0.000 0.420 8.906) 8.916 13.555 ( 0.000 1.487 2.251) 2.697 13.574 ( 0.000 0.680 2.473) 2.565 13.954 ( 0.000 -2.987 3.408) 4.531 13.974 ( 0.000 -3.736 3.024) 4.807 18.610 ( 0.000 15.443 4.673) 16.134 19.055 ( 0.000 9.398 4.958) 10.626 19.817 ( 0.000 -9.369 -1.038) 9.426 19.903 ( 0.000 -11.993 -0.052) 11.993 21.355 ( 0.000 3.583 -5.243) 6.350 21.552 ( 0.000 0.372 -5.766) 5.778 21.769 ( 0.000 -2.080 -14.746) 14.892 21.890 ( 0.000 -1.672 -15.555) 15.645 23.695 ( 0.000 6.713 2.519) 7.170 23.802 ( 0.000 6.966 6.071) 9.240 24.196 ( 0.000 -1.358 -3.306) 3.573 24.451 ( 0.000 -2.095 -6.641) 6.963 25.584 ( 0.000 13.271 8.071) 15.532 25.711 ( 0.000 9.101 12.780) 15.689 25.786 ( 0.000 8.004 5.684) 9.817 25.889 ( 0.000 7.810 9.867) 12.584 104.227 ( 0.000 0.248 0.198) 0.317 104.248 ( 0.000 -0.458 -0.008) 0.458 104.277 ( 0.000 0.008 0.280) 0.281 104.363 ( 0.000 -2.143 -0.381) 2.177 105.538 ( 0.000 -2.891 0.154) 2.895 105.568 ( 0.000 -2.828 -0.078) 2.829 105.574 ( 0.000 -2.862 0.139) 2.865 105.605 ( 0.000 -6.076 -0.163) 6.078 ======================= Grid point 101 (41/120) ======================= q-point: ( 0.25 0.36 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.820 ( 3.093 6.002 6.377) 9.287 1.964 ( -2.544 11.869 2.795) 12.456 2.668 ( -0.025 -3.252 -1.623) 3.634 2.686 ( -0.588 -7.891 -0.566) 7.933 2.772 ( 1.070 16.144 -0.462) 16.186 2.803 ( -0.231 17.477 -0.228) 17.480 3.771 ( 0.585 7.656 -1.195) 7.771 3.807 ( -0.885 6.238 0.229) 6.305 4.027 ( 1.142 -9.145 -8.664) 12.649 4.086 ( -1.430 -10.489 -8.015) 13.278 4.248 ( 2.122 -2.226 -2.765) 4.136 4.324 ( -0.559 0.554 -1.042) 1.306 4.462 ( 1.965 13.662 3.138) 14.155 4.583 ( -2.310 23.109 4.870) 23.729 4.843 ( 1.279 10.790 0.036) 10.865 4.933 ( -2.215 12.219 1.623) 12.523 5.193 ( 1.408 0.044 -0.268) 1.434 5.257 ( -1.187 0.428 3.115) 3.361 5.286 ( 0.676 -4.425 -1.390) 4.687 5.319 ( -0.619 -3.946 -0.537) 4.031 5.597 ( 0.605 10.823 -0.388) 10.847 5.618 ( 0.603 11.429 0.832) 11.475 5.656 ( 0.703 12.036 0.437) 12.064 5.729 ( -2.011 7.107 2.874) 7.925 8.256 ( 0.951 -5.978 -2.368) 6.500 8.300 ( -0.795 -5.580 -3.156) 6.460 8.515 ( 0.570 -10.678 8.344) 13.564 8.548 ( -0.740 -10.603 6.516) 12.467 9.307 ( 0.001 11.809 -9.496) 15.153 9.320 ( -0.477 10.839 -9.679) 14.539 10.084 ( 0.890 -4.514 -15.415) 16.087 10.122 ( -0.598 -4.072 -13.694) 14.299 10.398 ( 2.502 8.017 -0.590) 8.420 10.511 ( -1.834 7.308 0.189) 7.537 10.944 ( 1.425 -5.099 20.984) 21.641 11.043 ( -2.522 -5.866 20.428) 21.402 11.754 ( 0.699 -1.256 -5.611) 5.792 11.807 ( -1.431 -2.275 -6.417) 6.957 12.034 ( 1.133 -1.244 2.602) 3.099 12.064 ( -0.025 -0.400 1.686) 1.732 12.440 ( 0.195 3.669 -14.448) 14.908 12.444 ( 0.190 3.616 -14.364) 14.813 13.134 ( 0.202 -0.082 6.877) 6.881 13.149 ( -0.391 0.368 8.596) 8.613 13.558 ( 0.259 1.397 2.320) 2.721 13.571 ( -0.251 0.828 2.478) 2.624 13.957 ( 0.245 -3.107 3.360) 4.583 13.971 ( -0.285 -3.637 3.089) 4.780 18.671 ( 5.760 14.482 4.544) 16.235 18.983 ( -6.589 10.158 4.651) 12.970 19.837 ( 1.696 -9.691 -0.622) 9.858 19.895 ( -0.743 -11.588 -0.021) 11.612 21.376 ( 2.028 3.245 -5.421) 6.635 21.510 ( -3.541 1.011 -5.996) 7.037 21.797 ( 2.254 -2.042 -14.526) 14.841 21.877 ( -1.202 -1.732 -15.310) 15.455 23.704 ( 0.889 6.882 3.007) 7.563 23.776 ( -2.142 7.095 5.376) 9.156 24.244 ( 4.248 -1.540 -3.635) 5.799 24.421 ( -2.921 -2.051 -6.098) 7.066 25.598 ( 1.299 12.736 8.347) 15.283 25.681 ( -2.300 9.890 10.707) 14.756 25.811 ( 1.865 7.831 7.665) 11.116 25.878 ( -1.058 7.798 9.655) 12.456 104.229 ( 0.458 0.356 0.227) 0.623 104.263 ( -0.044 -0.024 -0.146) 0.154 104.276 ( 1.033 -0.771 0.312) 1.326 104.349 ( -1.299 -2.028 -0.330) 2.431 105.541 ( 0.312 -2.815 0.143) 2.835 105.560 ( -0.506 -2.598 0.051) 2.647 105.583 ( 0.558 -3.601 -0.004) 3.644 105.602 ( -0.296 -5.702 -0.146) 5.711 ======================= Grid point 102 (42/120) ======================= q-point: (-0.50 0.36 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.895 ( -3.961 9.251 4.443) 11.000 1.895 ( 3.961 9.251 4.443) 11.000 2.673 ( -0.569 -4.899 -0.824) 5.000 2.673 ( 0.569 -4.899 -0.824) 5.000 2.793 ( -0.822 15.945 -0.583) 15.977 2.793 ( 0.822 15.945 -0.583) 15.977 3.787 ( -0.964 6.947 -0.505) 7.032 3.787 ( 0.964 6.947 -0.505) 7.032 4.055 ( -1.538 -9.763 -8.230) 12.861 4.055 ( 1.538 -9.763 -8.230) 12.861 4.295 ( -2.182 -2.640 -2.824) 4.439 4.295 ( 2.182 -2.640 -2.824) 4.439 4.522 ( -3.502 20.136 4.976) 21.036 4.522 ( 3.502 20.136 4.976) 21.036 4.882 ( -2.466 11.277 0.647) 11.561 4.882 ( 2.466 11.277 0.647) 11.561 5.227 ( -1.746 0.318 1.155) 2.118 5.227 ( 1.746 0.318 1.155) 2.118 5.303 ( -0.892 -4.161 -0.936) 4.357 5.303 ( 0.892 -4.161 -0.936) 4.357 5.614 ( -0.806 12.024 0.994) 12.092 5.614 ( 0.806 12.024 0.994) 12.092 5.685 ( -2.058 8.785 1.109) 9.091 5.685 ( 2.058 8.785 1.109) 9.091 8.279 ( -1.177 -5.781 -2.638) 6.463 8.279 ( 1.177 -5.781 -2.638) 6.463 8.530 ( -0.890 -10.623 7.365) 12.957 8.530 ( 0.890 -10.623 7.365) 12.957 9.310 ( -0.366 11.352 -9.522) 14.822 9.310 ( 0.366 11.352 -9.522) 14.822 10.105 ( -1.073 -4.313 -14.587) 15.249 10.105 ( 1.073 -4.313 -14.587) 15.249 10.459 ( -3.138 7.834 -0.611) 8.461 10.459 ( 3.138 7.834 -0.611) 8.461 10.986 ( -2.681 -5.761 21.027) 21.967 10.986 ( 2.681 -5.761 21.027) 21.967 11.776 ( -1.442 -1.409 -5.602) 5.954 11.776 ( 1.442 -1.409 -5.602) 5.954 12.056 ( -0.832 -0.963 1.738) 2.154 12.056 ( 0.832 -0.963 1.738) 2.154 12.445 ( -0.145 3.491 -14.436) 14.853 12.445 ( 0.145 3.491 -14.436) 14.853 13.140 ( -0.433 0.196 7.798) 7.813 13.140 ( 0.433 0.196 7.798) 7.813 13.564 ( -0.360 1.141 2.437) 2.715 13.564 ( 0.360 1.141 2.437) 2.715 13.963 ( -0.376 -3.381 3.233) 4.694 13.963 ( 0.376 -3.381 3.233) 4.694 18.822 ( -8.591 12.233 4.404) 15.584 18.822 ( 8.591 12.233 4.404) 15.584 19.872 ( -1.571 -10.610 -0.121) 10.726 19.872 ( 1.571 -10.610 -0.121) 10.726 21.434 ( -3.586 2.271 -5.806) 7.192 21.434 ( 3.586 2.271 -5.806) 7.192 21.843 ( -2.108 -1.891 -14.793) 15.061 21.843 ( 2.108 -1.891 -14.793) 15.061 23.732 ( -1.942 7.141 4.131) 8.476 23.732 ( 1.942 7.141 4.131) 8.476 24.341 ( -4.809 -1.868 -4.803) 7.049 24.341 ( 4.809 -1.868 -4.803) 7.049 25.634 ( -2.210 11.392 9.171) 14.791 25.634 ( 2.210 11.392 9.171) 14.791 25.849 ( -1.732 7.769 9.002) 12.017 25.849 ( 1.732 7.769 9.002) 12.017 104.245 ( -1.054 0.336 0.185) 1.122 104.245 ( 1.054 0.336 0.185) 1.122 104.314 ( -2.062 -1.631 -0.165) 2.635 104.314 ( 2.062 -1.631 -0.165) 2.635 105.550 ( -0.494 -2.656 0.110) 2.704 105.550 ( 0.494 -2.656 0.110) 2.704 105.594 ( -0.521 -4.732 -0.092) 4.761 105.594 ( 0.521 -4.732 -0.092) 4.761 ======================= Grid point 105 (43/120) ======================= q-point: ( 0.00 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.931 ( 0.000 9.472 5.965) 11.194 2.218 ( 0.000 9.334 1.142) 9.403 2.447 ( 0.000 -13.030 1.200) 13.085 2.543 ( 0.000 -6.775 -0.026) 6.775 3.154 ( 0.000 18.239 -2.426) 18.400 3.179 ( 0.000 17.421 -2.246) 17.565 3.794 ( 0.000 -12.322 -6.351) 13.862 3.830 ( 0.000 -12.934 -6.842) 14.632 3.932 ( 0.000 7.505 -1.816) 7.722 3.952 ( 0.000 5.360 -1.254) 5.505 4.151 ( 0.000 -4.202 -2.023) 4.664 4.244 ( 0.000 -6.399 -3.822) 7.454 4.763 ( 0.000 14.792 4.952) 15.599 4.964 ( 0.000 8.116 -0.220) 8.119 5.027 ( 0.000 10.201 2.973) 10.625 5.152 ( 0.000 4.836 0.951) 4.929 5.168 ( 0.000 -0.371 0.135) 0.395 5.199 ( 0.000 -3.052 -0.696) 3.131 5.238 ( 0.000 -2.551 4.321) 5.017 5.256 ( 0.000 -2.011 1.295) 2.392 5.767 ( 0.000 6.177 -1.456) 6.347 5.786 ( 0.000 5.698 -0.657) 5.736 5.867 ( 0.000 6.951 1.383) 7.087 5.879 ( 0.000 5.078 2.567) 5.690 8.171 ( 0.000 -0.922 1.344) 1.629 8.228 ( 0.000 -2.085 0.579) 2.164 8.328 ( 0.000 -6.558 7.135) 9.691 8.356 ( 0.000 -8.375 5.612) 10.082 9.558 ( 0.000 11.449 -12.977) 17.305 9.567 ( 0.000 12.595 -10.771) 16.573 9.959 ( 0.000 -6.745 -17.732) 18.971 10.012 ( 0.000 -7.475 -13.871) 15.757 10.536 ( 0.000 7.707 3.963) 8.666 10.644 ( 0.000 3.965 5.987) 7.181 10.849 ( 0.000 -2.975 14.152) 14.461 10.932 ( 0.000 -7.126 13.046) 14.865 11.737 ( 0.000 0.562 -2.211) 2.282 11.774 ( 0.000 -1.337 -2.064) 2.459 11.934 ( 0.000 -5.152 4.446) 6.805 11.964 ( 0.000 -6.390 3.156) 7.127 12.612 ( 0.000 10.949 -16.777) 20.034 12.618 ( 0.000 10.854 -13.898) 17.635 13.043 ( 0.000 -7.608 -4.528) 8.854 13.058 ( 0.000 -8.230 -2.921) 8.733 13.649 ( 0.000 5.704 7.833) 9.690 13.654 ( 0.000 6.560 9.512) 11.555 13.886 ( 0.000 -3.872 6.807) 7.832 13.888 ( 0.000 -4.689 5.563) 7.275 18.940 ( 0.000 16.374 4.985) 17.116 19.241 ( 0.000 8.752 5.087) 10.123 19.610 ( 0.000 -13.159 2.173) 13.337 19.621 ( 0.000 -11.769 3.248) 12.209 21.464 ( 0.000 6.653 -7.305) 9.881 21.584 ( 0.000 2.558 -7.825) 8.233 21.710 ( 0.000 -3.491 -12.853) 13.318 21.796 ( 0.000 -6.772 -12.351) 14.086 23.852 ( 0.000 7.828 -0.712) 7.861 23.971 ( 0.000 9.196 0.407) 9.205 24.130 ( 0.000 -4.783 -3.086) 5.692 24.345 ( 0.000 -7.397 -6.500) 9.847 25.834 ( 0.000 10.000 9.738) 13.959 25.874 ( 0.000 6.103 11.465) 12.988 25.910 ( 0.000 3.878 7.506) 8.449 26.003 ( 0.000 2.704 10.569) 10.910 104.231 ( 0.000 0.186 0.221) 0.289 104.240 ( 0.000 -0.318 0.060) 0.324 104.282 ( 0.000 0.460 -0.086) 0.468 104.324 ( 0.000 -1.604 -0.339) 1.640 105.491 ( 0.000 -1.534 0.135) 1.540 105.510 ( 0.000 -2.777 -0.081) 2.778 105.525 ( 0.000 -1.613 0.120) 1.618 105.528 ( 0.000 -1.591 0.047) 1.591 ======================= Grid point 106 (44/120) ======================= q-point: ( 0.25 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.978 ( 4.388 9.354 5.182) 11.559 2.181 ( -3.546 9.331 1.806) 10.144 2.459 ( 1.165 -12.162 0.991) 12.258 2.527 ( -1.461 -7.685 0.138) 7.824 3.159 ( 0.403 18.071 -2.407) 18.235 3.176 ( -0.273 17.497 -2.281) 17.648 3.800 ( 0.524 -12.504 -6.377) 14.046 3.825 ( -0.455 -12.981 -6.723) 14.625 3.933 ( 0.152 7.369 -1.716) 7.567 3.947 ( -0.416 5.993 -1.351) 6.157 4.168 ( 1.472 -4.535 -2.268) 5.280 4.232 ( -1.102 -6.048 -3.528) 7.088 4.801 ( 3.528 14.522 4.685) 15.661 4.959 ( -1.539 11.703 1.625) 11.915 5.019 ( 0.222 7.050 1.553) 7.223 5.112 ( -2.803 4.689 0.325) 5.472 5.187 ( 1.077 -0.606 0.780) 1.461 5.208 ( 0.757 -2.917 -0.323) 3.031 5.230 ( -0.777 -2.486 3.258) 4.172 5.246 ( -0.874 -2.314 1.101) 2.707 5.779 ( 1.219 6.403 -0.632) 6.548 5.801 ( 1.232 5.885 -0.200) 6.016 5.857 ( -1.034 6.421 1.327) 6.637 5.866 ( -1.105 5.429 1.818) 5.831 8.181 ( 0.880 -1.078 1.395) 1.970 8.221 ( -0.716 -1.861 0.910) 2.192 8.331 ( 0.270 -6.907 6.760) 9.668 8.350 ( -0.508 -8.171 5.748) 10.003 9.557 ( 0.009 11.831 -12.434) 17.164 9.565 ( -0.200 12.501 -11.214) 16.795 9.968 ( 0.821 -6.928 -17.222) 18.582 10.005 ( -0.634 -7.436 -14.527) 16.332 10.560 ( 2.191 7.493 3.430) 8.528 10.639 ( -0.721 4.954 4.777) 6.920 10.849 ( 0.114 -3.993 14.828) 15.357 10.905 ( -2.249 -6.947 14.037) 15.822 11.746 ( 0.835 0.744 -1.961) 2.257 11.777 ( 0.006 -0.277 -2.681) 2.695 11.933 ( 0.184 -6.130 4.780) 7.775 11.962 ( -0.419 -6.688 3.280) 7.460 12.614 ( 0.170 10.939 -16.359) 19.680 12.619 ( 0.016 10.855 -14.495) 18.109 13.044 ( 0.130 -7.723 -4.246) 8.814 13.055 ( -0.274 -8.163 -3.101) 8.737 13.650 ( 0.112 5.853 8.106) 9.999 13.654 ( -0.035 6.454 9.288) 11.310 13.886 ( 0.008 -3.990 6.620) 7.729 13.887 ( -0.046 -4.567 5.740) 7.335 18.981 ( 3.843 15.399 4.936) 16.621 19.192 ( -4.520 10.064 4.964) 12.098 19.617 ( 0.497 -13.538 2.425) 13.762 19.625 ( 0.216 -11.728 3.154) 12.146 21.476 ( 1.211 6.217 -7.359) 9.710 21.558 ( -2.199 3.444 -7.802) 8.807 21.729 ( 1.553 -4.286 -12.679) 13.474 21.786 ( -0.895 -6.472 -12.400) 14.016 23.866 ( 1.380 8.262 -0.530) 8.394 23.949 ( -1.939 9.254 0.053) 9.455 24.169 ( 3.456 -5.355 -3.485) 7.264 24.318 ( -2.552 -7.166 -6.010) 9.695 25.836 ( 0.251 9.528 9.780) 13.657 25.860 ( -0.905 6.938 10.431) 12.561 25.931 ( 1.563 3.462 8.750) 9.539 25.992 ( -1.057 2.764 10.333) 10.748 104.236 ( 0.603 0.348 0.166) 0.716 104.255 ( 1.225 -0.592 -0.020) 1.361 104.274 ( -0.749 0.425 -0.015) 0.861 104.313 ( -1.040 -1.487 -0.279) 1.836 105.496 ( 0.428 -1.490 0.116) 1.555 105.512 ( 0.135 -2.399 -0.108) 2.406 105.521 ( -0.356 -1.747 0.166) 1.791 105.526 ( -0.188 -1.891 0.045) 1.900 ======================= Grid point 107 (45/120) ======================= q-point: (-0.50 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.085 ( -5.589 9.258 3.431) 11.346 2.085 ( 5.589 9.258 3.431) 11.346 2.491 ( -1.885 -9.920 0.547) 10.113 2.491 ( 1.885 -9.920 0.547) 10.113 3.168 ( -0.479 17.739 -2.352) 17.901 3.168 ( 0.479 17.739 -2.352) 17.901 3.813 ( -0.700 -12.859 -6.501) 14.426 3.813 ( 0.700 -12.859 -6.501) 14.426 3.939 ( -0.375 6.925 -1.534) 7.103 3.939 ( 0.375 6.925 -1.534) 7.103 4.202 ( -1.773 -5.278 -2.873) 6.266 4.202 ( 1.773 -5.278 -2.873) 6.266 4.889 ( -4.637 13.999 3.918) 15.258 4.889 ( 4.637 13.999 3.918) 15.258 5.054 ( -2.724 5.279 0.178) 5.943 5.054 ( 2.724 5.279 0.178) 5.943 5.210 ( -1.126 -1.913 1.506) 2.683 5.210 ( 1.126 -1.913 1.506) 2.683 5.226 ( -1.036 -2.699 0.550) 2.943 5.226 ( 1.036 -2.699 0.550) 2.943 5.810 ( -1.257 6.743 0.811) 6.907 5.810 ( 1.257 6.743 0.811) 6.907 5.844 ( -0.739 5.440 0.580) 5.521 5.844 ( 0.739 5.440 0.580) 5.521 8.202 ( -1.072 -1.434 1.329) 2.230 8.202 ( 1.072 -1.434 1.329) 2.230 8.339 ( -0.513 -7.612 6.149) 9.798 8.339 ( 0.513 -7.612 6.149) 9.798 9.560 ( -0.258 12.308 -11.775) 17.035 9.560 ( 0.258 12.308 -11.775) 17.035 9.988 ( -1.031 -7.253 -15.947) 17.549 9.988 ( 1.031 -7.253 -15.947) 17.549 10.609 ( -2.241 6.710 3.061) 7.708 10.609 ( 2.241 6.710 3.061) 7.708 10.863 ( -1.478 -5.991 15.439) 16.626 10.863 ( 1.478 -5.991 15.439) 16.626 11.766 ( -0.992 0.854 -2.350) 2.690 11.766 ( 0.992 0.854 -2.350) 2.690 11.946 ( -0.979 -7.041 4.103) 8.208 11.946 ( 0.979 -7.041 4.103) 8.208 12.618 ( -0.143 10.892 -15.517) 18.959 12.618 ( 0.143 10.892 -15.517) 18.959 13.049 ( -0.287 -7.967 -3.621) 8.756 13.049 ( 0.287 -7.967 -3.621) 8.756 13.653 ( -0.105 6.174 8.722) 10.687 13.653 ( 0.105 6.174 8.722) 10.687 13.886 ( -0.040 -4.276 6.175) 7.511 13.886 ( 0.040 -4.276 6.175) 7.511 19.082 ( -5.785 12.888 4.877) 14.945 19.082 ( 5.785 12.888 4.877) 14.945 19.625 ( -0.231 -12.790 2.856) 13.107 19.625 ( 0.231 -12.790 2.856) 13.107 21.511 ( -2.172 5.015 -7.547) 9.318 21.511 ( 2.172 5.015 -7.547) 9.318 21.762 ( -1.509 -5.586 -12.526) 13.798 21.762 ( 1.509 -5.586 -12.526) 13.798 23.904 ( -2.251 9.017 -0.267) 9.298 23.904 ( 2.252 9.017 -0.267) 9.298 24.249 ( -4.059 -6.445 -4.759) 8.981 24.249 ( 4.059 -6.445 -4.759) 8.981 25.844 ( -0.612 8.361 9.954) 13.014 25.844 ( 0.612 8.361 9.954) 13.014 25.964 ( -1.639 2.988 9.700) 10.282 25.964 ( 1.639 2.988 9.700) 10.282 104.254 ( -1.034 0.481 0.040) 1.141 104.254 ( 1.034 0.481 0.040) 1.141 104.285 ( -1.546 -1.149 -0.117) 1.930 104.285 ( 1.546 -1.149 -0.117) 1.930 105.507 ( -0.578 -1.412 0.046) 1.526 105.507 ( 0.578 -1.412 0.046) 1.526 105.521 ( -0.292 -2.359 0.063) 2.378 105.521 ( 0.292 -2.359 0.063) 2.378 ======================= Grid point 110 (46/120) ======================= q-point: ( 0.00 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.167 ( 0.000 -12.801 3.430) 13.252 2.167 ( 0.000 12.801 3.430) 13.252 2.396 ( 0.000 -7.444 0.743) 7.481 2.396 ( 0.000 7.444 0.743) 7.481 3.498 ( 0.000 -8.997 -4.623) 10.115 3.498 ( 0.000 8.997 -4.623) 10.115 3.531 ( 0.000 -9.324 -3.949) 10.126 3.531 ( 0.000 9.324 -3.949) 10.126 4.054 ( 0.000 -5.139 -1.818) 5.451 4.054 ( 0.000 5.139 -1.818) 5.451 4.100 ( 0.000 -7.368 -3.230) 8.045 4.100 ( 0.000 7.368 -3.230) 8.045 4.993 ( 0.000 -5.921 2.740) 6.524 4.993 ( 0.000 5.921 2.740) 6.524 5.149 ( 0.000 -0.827 0.612) 1.029 5.149 ( 0.000 0.827 0.612) 1.029 5.160 ( 0.000 -2.317 0.366) 2.345 5.160 ( 0.000 2.317 0.366) 2.345 5.239 ( 0.000 -1.644 3.023) 3.441 5.239 ( 0.000 1.644 3.023) 3.441 5.838 ( 0.000 -0.567 -1.147) 1.279 5.838 ( 0.000 0.567 -1.147) 1.279 5.937 ( 0.000 -0.031 1.930) 1.930 5.937 ( 0.000 0.031 1.930) 1.930 8.202 ( 0.000 -2.744 3.106) 4.144 8.202 ( 0.000 2.744 3.106) 4.144 8.246 ( 0.000 -0.418 5.180) 5.196 8.246 ( 0.000 0.418 5.180) 5.196 9.771 ( 0.000 -5.093 -15.145) 15.978 9.771 ( 0.000 5.093 -15.145) 15.978 9.831 ( 0.000 -6.193 -13.673) 15.011 9.831 ( 0.000 6.193 -13.673) 15.011 10.665 ( 0.000 -3.289 11.050) 11.530 10.665 ( 0.000 3.289 11.050) 11.530 10.823 ( 0.000 -1.652 6.562) 6.766 10.823 ( 0.000 1.652 6.562) 6.766 11.760 ( 0.000 -0.836 1.789) 1.975 11.760 ( 0.000 0.836 1.789) 1.975 11.875 ( 0.000 -0.818 0.536) 0.978 11.875 ( 0.000 0.818 0.536) 0.978 12.823 ( 0.000 -1.333 -9.959) 10.048 12.823 ( 0.000 1.333 -9.959) 10.048 12.873 ( 0.000 -1.507 -11.180) 11.281 12.873 ( 0.000 1.507 -11.180) 11.281 13.769 ( 0.000 -2.704 7.718) 8.178 13.769 ( 0.000 2.704 7.718) 8.178 13.793 ( 0.000 -2.424 9.598) 9.899 13.793 ( 0.000 2.424 9.598) 9.899 19.282 ( 0.000 -16.475 4.266) 17.018 19.282 ( 0.000 16.475 4.266) 17.018 19.424 ( 0.000 -9.026 4.512) 10.091 19.424 ( 0.000 9.026 4.512) 10.091 21.614 ( 0.000 -6.804 -10.504) 12.516 21.614 ( 0.000 6.804 -10.504) 12.516 21.657 ( 0.000 -4.898 -9.223) 10.443 21.657 ( 0.000 4.898 -9.223) 10.443 24.006 ( 0.000 -6.902 -2.055) 7.202 24.006 ( 0.000 6.902 -2.055) 7.202 24.167 ( 0.000 -9.360 -4.230) 10.271 24.167 ( 0.000 9.360 -4.230) 10.271 25.941 ( 0.000 -1.030 9.376) 9.433 25.941 ( 0.000 1.030 9.376) 9.433 25.989 ( 0.000 -4.051 10.541) 11.292 25.989 ( 0.000 4.051 10.541) 11.292 104.235 ( 0.000 -0.213 0.143) 0.257 104.235 ( 0.000 0.213 0.143) 0.257 104.297 ( 0.000 -0.979 -0.254) 1.011 104.297 ( 0.000 0.979 -0.254) 1.011 105.478 ( 0.000 -0.356 0.090) 0.367 105.478 ( 0.000 0.356 0.090) 0.367 105.510 ( 0.000 -0.073 0.040) 0.083 105.510 ( 0.000 0.073 0.040) 0.083 ======================= Grid point 112 (47/120) ======================= q-point: ( 0.25 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.202 ( 3.246 -11.821 3.012) 12.623 2.202 ( 3.246 11.821 3.012) 12.623 2.363 ( -3.083 -8.050 1.117) 8.692 2.363 ( -3.083 8.050 1.117) 8.692 3.503 ( 0.462 -9.054 -4.525) 10.133 3.503 ( 0.462 9.054 -4.525) 10.133 3.526 ( -0.440 -9.284 -4.047) 10.138 3.526 ( -0.440 9.285 -4.047) 10.138 4.063 ( 0.753 -5.594 -2.001) 5.989 4.063 ( 0.753 5.594 -2.001) 5.989 4.095 ( -0.508 -7.136 -3.001) 7.758 4.095 ( -0.508 7.136 -3.001) 7.758 5.020 ( 2.537 -5.252 2.518) 6.354 5.020 ( 2.537 5.252 2.518) 6.354 5.136 ( -1.579 -1.834 0.740) 2.531 5.136 ( -1.579 1.834 0.740) 2.531 5.163 ( 0.542 -1.145 0.513) 1.367 5.163 ( 0.542 1.145 0.513) 1.367 5.217 ( -1.852 -1.692 2.639) 3.641 5.217 ( -1.852 1.692 2.639) 3.641 5.854 ( 1.496 -0.680 -0.578) 1.742 5.854 ( 1.496 0.680 -0.578) 1.742 5.924 ( -1.237 -0.276 1.600) 2.041 5.924 ( -1.237 0.276 1.600) 2.041 8.208 ( 0.554 -2.372 3.447) 4.221 8.208 ( 0.554 2.372 3.447) 4.221 8.239 ( -0.630 -0.834 4.912) 5.022 8.239 ( -0.630 0.834 4.912) 5.022 9.780 ( 0.859 -5.366 -14.927) 15.885 9.780 ( 0.859 5.366 -14.927) 15.885 9.822 ( -0.796 -6.118 -13.889) 15.198 9.822 ( -0.796 6.118 -13.889) 15.198 10.686 ( 2.003 -2.691 10.371) 10.900 10.686 ( 2.003 2.691 10.371) 10.900 10.797 ( -2.351 -0.982 7.203) 7.640 10.797 ( -2.351 0.982 7.203) 7.640 11.779 ( 1.721 -1.308 1.610) 2.696 11.779 ( 1.721 1.308 1.610) 2.696 11.859 ( -1.446 -1.382 0.731) 2.130 11.859 ( -1.446 1.382 0.731) 2.130 12.830 ( 0.684 -1.386 -10.168) 10.285 12.830 ( 0.684 1.387 -10.168) 10.285 12.866 ( -0.689 -1.498 -11.029) 11.151 12.866 ( -0.689 1.498 -11.029) 11.151 13.773 ( 0.351 -2.653 8.004) 8.440 13.773 ( 0.351 2.653 8.004) 8.440 13.790 ( -0.311 -2.454 9.332) 9.654 13.790 ( -0.311 2.454 9.332) 9.654 19.303 ( 1.967 -15.586 4.297) 16.286 19.303 ( 1.967 15.586 4.297) 16.286 19.404 ( -1.942 -10.412 4.471) 11.496 19.404 ( -1.942 10.412 4.471) 11.496 21.619 ( 0.491 -6.638 -10.282) 12.248 21.619 ( 0.491 6.638 -10.282) 12.248 21.649 ( -0.690 -5.337 -9.371) 10.806 21.649 ( -0.690 5.337 -9.371) 10.806 24.032 ( 2.340 -7.420 -2.412) 8.146 24.032 ( 2.340 7.420 -2.412) 8.146 24.145 ( -2.101 -9.117 -3.948) 10.155 24.145 ( -2.101 9.117 -3.948) 10.155 25.948 ( 0.626 -1.807 9.556) 9.745 25.948 ( 0.626 1.807 9.556) 9.745 25.982 ( -0.699 -3.757 10.380) 11.061 25.982 ( -0.699 3.757 10.380) 11.061 104.244 ( 0.861 -0.439 0.084) 0.971 104.244 ( 0.861 0.439 0.084) 0.971 104.288 ( -0.853 -0.917 -0.196) 1.267 104.288 ( -0.853 0.917 -0.196) 1.267 105.483 ( 0.446 -0.323 0.082) 0.557 105.483 ( 0.446 0.323 0.082) 0.557 105.505 ( -0.442 -0.129 0.047) 0.463 105.505 ( -0.442 0.129 0.047) 0.463 ======================= Grid point 114 (48/120) ======================= q-point: (-0.50 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.283 ( -4.414 -9.900 2.043) 11.030 2.283 ( 4.343 -9.893 2.043) 10.996 2.283 ( -4.343 9.893 2.043) 10.996 2.283 ( 4.414 9.900 2.043) 11.031 3.515 ( -0.382 -15.649 -4.286) 16.230 3.515 ( 0.365 -15.649 -4.286) 16.230 3.515 ( -0.365 15.649 -4.286) 16.230 3.515 ( 0.382 15.649 -4.286) 16.230 4.080 ( -0.898 -6.469 -2.477) 6.985 4.080 ( 0.898 -6.469 -2.477) 6.985 4.080 ( -0.898 6.469 -2.477) 6.985 4.080 ( 0.898 6.469 -2.477) 6.985 5.083 ( -3.147 -4.084 1.756) 5.446 5.083 ( 2.287 -3.938 1.756) 4.881 5.083 ( -2.287 3.938 1.756) 4.881 5.083 ( 3.147 4.084 1.756) 5.446 5.182 ( -1.344 -1.150 1.285) 2.186 5.182 ( 1.327 -1.145 1.285) 2.173 5.182 ( -1.327 1.145 1.285) 2.173 5.182 ( 1.344 1.150 1.285) 2.186 5.891 ( -1.765 -0.854 0.630) 2.059 5.891 ( -0.866 -0.373 0.630) 1.134 5.891 ( 0.866 0.373 0.630) 1.134 5.891 ( 1.765 0.854 0.630) 2.059 8.223 ( -0.467 -3.411 4.217) 5.444 8.223 ( 0.301 -3.407 4.217) 5.429 8.223 ( -0.301 3.407 4.217) 5.429 8.223 ( 0.467 3.411 4.217) 5.444 9.801 ( -0.691 -10.606 -14.406) 17.903 9.801 ( 0.600 -10.605 -14.406) 17.899 9.801 ( -0.600 10.605 -14.406) 17.899 9.801 ( 0.691 10.606 -14.406) 17.903 10.740 ( -1.305 -5.858 8.766) 10.623 10.740 ( -0.146 -5.822 8.766) 10.524 10.740 ( 0.146 5.822 8.766) 10.524 10.740 ( 1.305 5.858 8.766) 10.623 11.821 ( -1.240 -4.417 1.180) 4.737 11.821 ( 0.327 -4.377 1.180) 4.545 11.821 ( -0.327 4.377 1.180) 4.545 11.821 ( 1.240 4.417 1.180) 4.737 12.848 ( -0.174 -10.833 -10.627) 15.176 12.848 ( 0.088 -10.832 -10.627) 15.175 12.848 ( -0.088 10.832 -10.627) 15.175 12.848 ( 0.174 10.833 -10.627) 15.176 13.782 ( -0.218 -5.822 8.678) 10.452 13.782 ( 0.188 -5.822 8.678) 10.451 13.782 ( -0.188 5.822 8.678) 10.451 13.782 ( 0.218 5.822 8.678) 10.452 19.354 ( -2.766 -13.236 4.379) 14.213 19.354 ( 2.765 -13.236 4.379) 14.213 19.354 ( -2.765 13.236 4.379) 14.213 19.354 ( 2.766 13.236 4.379) 14.213 21.633 ( -0.796 -6.418 -9.789) 11.733 21.633 ( 0.786 -6.417 -9.789) 11.732 21.633 ( -0.786 6.417 -9.789) 11.732 21.633 ( 0.796 6.418 -9.789) 11.733 24.090 ( -3.080 -8.601 -3.218) 9.686 24.090 ( 3.022 -8.596 -3.218) 9.663 24.090 ( -3.022 8.596 -3.218) 9.663 24.090 ( 3.080 8.601 -3.218) 9.686 25.964 ( -0.927 -2.982 9.977) 10.454 25.964 ( 0.918 -2.981 9.977) 10.453 25.964 ( -0.918 2.981 9.977) 10.453 25.964 ( 0.927 2.982 9.977) 10.454 104.266 ( -1.207 -0.737 -0.057) 1.415 104.266 ( 0.857 -0.603 -0.057) 1.049 104.266 ( -0.856 0.603 -0.057) 1.049 104.266 ( 1.207 0.737 -0.057) 1.415 105.494 ( -0.606 -0.265 0.065) 0.664 105.494 ( -0.297 -0.021 0.065) 0.305 105.494 ( 0.297 0.021 0.065) 0.305 105.494 ( 0.606 0.265 0.065) 0.664 ======================= Grid point 150 (49/120) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( 0.000 0.000 19.471) 19.471 1.208 ( 0.000 0.000 27.700) 27.700 1.601 ( 0.000 0.000 18.684) 18.684 1.637 ( 0.000 0.000 21.794) 21.794 1.972 ( 0.000 0.000 22.216) 22.216 1.974 ( 0.000 0.000 1.304) 1.304 2.795 ( 0.000 0.000 -5.586) 5.586 2.856 ( 0.000 0.000 -10.391) 10.391 3.007 ( 0.000 0.000 -0.697) 0.697 3.171 ( 0.000 0.000 2.844) 2.844 3.444 ( 0.000 0.000 0.805) 0.805 3.659 ( 0.000 0.000 3.454) 3.454 3.739 ( 0.000 0.000 12.330) 12.330 3.751 ( 0.000 0.000 -3.987) 3.987 3.944 ( 0.000 0.000 -2.023) 2.023 4.055 ( 0.000 0.000 2.430) 2.430 4.445 ( 0.000 0.000 -7.903) 7.903 4.534 ( 0.000 0.000 -8.964) 8.964 4.635 ( 0.000 0.000 -10.170) 10.170 4.750 ( 0.000 0.000 -12.282) 12.282 5.643 ( 0.000 0.000 -1.443) 1.443 5.795 ( 0.000 0.000 -2.330) 2.330 6.134 ( 0.000 0.000 -5.201) 5.201 6.207 ( 0.000 0.000 -12.461) 12.461 7.940 ( 0.000 0.000 1.069) 1.069 7.942 ( 0.000 0.000 0.965) 0.965 9.405 ( 0.000 0.000 -7.025) 7.025 9.426 ( 0.000 0.000 -7.173) 7.173 9.537 ( 0.000 0.000 -3.229) 3.229 9.575 ( 0.000 0.000 6.227) 6.227 9.899 ( 0.000 0.000 2.244) 2.244 9.928 ( 0.000 0.000 1.561) 1.561 10.020 ( 0.000 0.000 20.462) 20.462 10.412 ( 0.000 0.000 12.990) 12.990 11.167 ( 0.000 0.000 -8.758) 8.758 11.324 ( 0.000 0.000 2.237) 2.237 11.328 ( 0.000 0.000 -11.232) 11.232 11.331 ( 0.000 0.000 2.066) 2.066 11.501 ( 0.000 0.000 3.737) 3.737 11.816 ( 0.000 0.000 -5.411) 5.411 12.707 ( 0.000 0.000 9.235) 9.235 12.919 ( 0.000 0.000 3.892) 3.892 13.026 ( 0.000 0.000 -1.530) 1.530 13.038 ( 0.000 0.000 -2.444) 2.444 13.798 ( 0.000 0.000 -0.166) 0.166 13.879 ( 0.000 0.000 5.157) 5.157 14.409 ( 0.000 0.000 -0.704) 0.704 14.495 ( 0.000 0.000 -11.615) 11.615 17.270 ( 0.000 0.000 2.104) 2.104 17.355 ( 0.000 0.000 0.457) 0.457 18.057 ( 0.000 0.000 -0.747) 0.747 18.127 ( 0.000 0.000 -2.110) 2.110 22.327 ( 0.000 0.000 3.560) 3.560 22.476 ( 0.000 0.000 1.000) 1.000 22.750 ( 0.000 0.000 -0.363) 0.363 22.873 ( 0.000 0.000 18.724) 18.724 22.888 ( 0.000 0.000 -3.292) 3.292 22.902 ( 0.000 0.000 22.331) 22.331 22.950 ( 0.000 0.000 17.899) 17.899 24.321 ( 0.000 0.000 -7.959) 7.959 24.920 ( 0.000 0.000 -0.664) 0.664 24.997 ( 0.000 0.000 -5.918) 5.918 25.296 ( 0.000 0.000 -6.944) 6.944 25.421 ( 0.000 0.000 -8.655) 8.655 104.213 ( 0.000 0.000 0.218) 0.218 104.291 ( 0.000 0.000 -0.588) 0.588 104.478 ( 0.000 0.000 -0.042) 0.042 104.530 ( 0.000 0.000 -0.498) 0.498 105.855 ( 0.000 0.000 0.078) 0.078 105.861 ( 0.000 0.000 0.211) 0.211 105.970 ( 0.000 0.000 1.064) 1.064 106.397 ( 0.000 0.000 -8.551) 8.551 ======================= Grid point 151 (50/120) ======================= q-point: ( 0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( 14.884 0.000 14.232) 20.593 1.266 ( 5.417 0.000 26.048) 26.605 1.542 ( -5.479 0.000 19.757) 20.503 1.636 ( -7.160 0.000 8.333) 10.986 1.818 ( -0.033 0.000 23.508) 23.508 2.053 ( -0.793 0.000 13.960) 13.982 2.807 ( 1.092 0.000 -6.404) 6.496 2.850 ( -0.627 0.000 -9.768) 9.788 3.032 ( 2.308 0.000 -0.104) 2.310 3.148 ( -2.224 0.000 2.231) 3.150 3.466 ( 2.160 0.000 0.997) 2.379 3.604 ( -3.912 0.000 1.895) 4.346 3.751 ( 1.760 0.000 12.087) 12.214 3.804 ( 3.659 0.000 -2.460) 4.409 3.925 ( -1.801 0.000 -2.042) 2.723 3.962 ( -7.191 0.000 7.199) 10.175 4.471 ( 2.042 0.000 -9.628) 9.843 4.547 ( -0.108 0.000 -9.373) 9.374 4.633 ( 1.083 0.000 -10.596) 10.651 4.735 ( -1.632 0.000 -12.043) 12.153 5.656 ( 1.711 0.000 -1.849) 2.519 5.796 ( -2.266 0.000 -3.189) 3.912 6.140 ( 4.166 0.000 -9.899) 10.739 6.267 ( 2.225 0.000 -13.293) 13.478 7.940 ( 0.052 0.000 1.058) 1.059 7.942 ( -0.002 0.000 0.984) 0.984 9.408 ( 0.282 0.000 -7.051) 7.057 9.423 ( -0.292 0.000 -7.155) 7.161 9.540 ( 0.348 0.000 -1.260) 1.307 9.568 ( -0.657 0.000 5.349) 5.389 9.903 ( 0.394 0.000 2.145) 2.181 9.924 ( -0.409 0.000 1.663) 1.712 10.072 ( 4.902 0.000 20.264) 20.849 10.344 ( -6.088 0.000 15.570) 16.718 11.188 ( 1.849 0.000 -7.919) 8.131 11.291 ( -2.934 0.000 -8.209) 8.718 11.325 ( 0.092 0.000 2.211) 2.213 11.330 ( -0.091 0.000 2.090) 2.092 11.540 ( 3.372 0.000 1.899) 3.870 11.748 ( -5.719 0.000 -1.896) 6.025 12.725 ( 1.748 0.000 7.891) 8.082 12.851 ( -4.525 0.000 4.894) 6.665 13.036 ( 0.961 0.000 -1.651) 1.910 13.064 ( 0.815 0.000 -2.383) 2.519 13.805 ( 0.724 0.000 0.585) 0.931 13.858 ( -1.629 0.000 4.180) 4.486 14.444 ( 2.664 0.000 -4.351) 5.102 14.498 ( 0.075 0.000 -10.772) 10.772 17.281 ( 1.092 0.000 1.894) 2.186 17.342 ( -1.269 0.000 0.737) 1.467 18.068 ( 1.055 0.000 -0.987) 1.445 18.118 ( -0.887 0.000 -1.943) 2.136 22.344 ( 1.648 0.000 3.318) 3.704 22.446 ( -2.564 0.000 1.624) 3.035 22.778 ( 2.415 0.000 -1.040) 2.629 22.871 ( 0.687 0.000 18.614) 18.627 22.873 ( -1.495 0.000 -2.996) 3.348 22.921 ( -0.684 0.000 18.940) 18.952 23.024 ( 9.409 0.000 22.400) 24.296 23.913 ( -31.706 0.000 11.870) 33.855 24.940 ( 1.249 0.000 -3.887) 4.083 24.986 ( -0.977 0.000 -5.665) 5.749 25.314 ( 1.795 0.000 -7.434) 7.648 25.404 ( -1.669 0.000 -8.536) 8.698 104.231 ( 1.867 0.000 0.391) 1.908 104.315 ( 0.302 0.000 -0.520) 0.601 104.472 ( 0.774 0.000 -1.262) 1.480 104.535 ( -0.263 0.000 -1.388) 1.412 105.866 ( 1.276 0.000 0.279) 1.306 105.925 ( 0.167 0.000 0.336) 0.375 106.042 ( 10.354 0.000 -5.492) 11.720 106.366 ( -3.321 0.000 -9.310) 9.885 ======================= Grid point 152 (51/120) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( -17.363 0.000 8.100) 19.160 1.346 ( 17.363 0.000 8.100) 19.160 1.404 ( -7.595 0.000 22.623) 23.864 1.404 ( 7.595 0.000 22.623) 23.864 1.952 ( -8.115 0.000 20.111) 21.686 1.952 ( 8.115 0.000 20.111) 21.686 2.831 ( -1.156 0.000 -8.182) 8.263 2.831 ( 1.156 0.000 -8.182) 8.263 3.090 ( -3.209 0.000 1.081) 3.386 3.090 ( 3.209 0.000 1.081) 3.386 3.526 ( -3.616 0.000 1.376) 3.869 3.526 ( 3.616 0.000 1.376) 3.869 3.826 ( -5.636 0.000 10.804) 12.186 3.826 ( 5.636 0.000 10.804) 12.186 3.874 ( -3.164 0.000 -2.111) 3.804 3.874 ( 3.164 0.000 -2.111) 3.804 4.516 ( -2.273 0.000 -9.857) 10.115 4.516 ( 2.273 0.000 -9.857) 10.115 4.685 ( -3.119 0.000 -11.506) 11.921 4.685 ( 3.119 0.000 -11.506) 11.921 5.717 ( -4.187 0.000 -2.466) 4.859 5.717 ( 4.187 0.000 -2.466) 4.859 6.247 ( -4.175 0.000 -14.247) 14.846 6.247 ( 4.175 0.000 -14.247) 14.846 7.941 ( -0.037 0.000 1.025) 1.026 7.941 ( 0.037 0.000 1.025) 1.026 9.415 ( -0.407 0.000 -7.107) 7.118 9.415 ( 0.407 0.000 -7.107) 7.118 9.552 ( -0.812 0.000 2.545) 2.672 9.552 ( 0.812 0.000 2.545) 2.672 9.914 ( -0.567 0.000 1.905) 1.988 9.914 ( 0.567 0.000 1.905) 1.988 10.201 ( -7.401 0.000 19.069) 20.455 10.201 ( 7.401 0.000 19.069) 20.455 11.233 ( -2.597 0.000 -6.731) 7.214 11.233 ( 2.597 0.000 -6.731) 7.214 11.328 ( -0.129 0.000 2.151) 2.155 11.328 ( 0.129 0.000 2.151) 2.155 11.629 ( -5.443 0.000 0.753) 5.495 11.629 ( 5.443 0.000 0.753) 5.495 12.774 ( -3.057 0.000 6.026) 6.756 12.774 ( 3.057 0.000 6.026) 6.756 13.058 ( -1.045 0.000 -1.945) 2.208 13.058 ( 1.045 0.000 -1.945) 2.208 13.827 ( -1.364 0.000 2.205) 2.593 13.827 ( 1.364 0.000 2.205) 2.593 14.487 ( -1.326 0.000 -8.549) 8.652 14.487 ( 1.326 0.000 -8.549) 8.652 17.310 ( -1.656 0.000 1.350) 2.137 17.310 ( 1.656 0.000 1.350) 2.137 18.094 ( -1.361 0.000 -1.500) 2.025 18.094 ( 1.361 0.000 -1.500) 2.025 22.389 ( -2.762 0.000 2.620) 3.807 22.389 ( 2.762 0.000 2.620) 3.807 22.831 ( -2.548 0.000 -2.167) 3.345 22.831 ( 2.548 0.000 -2.167) 3.345 22.896 ( -1.511 0.000 18.347) 18.409 22.896 ( 1.511 0.000 18.347) 18.409 23.338 ( -22.467 0.000 23.779) 32.714 23.338 ( 22.467 0.000 23.779) 32.714 24.963 ( -1.147 0.000 -5.273) 5.396 24.963 ( 1.147 0.000 -5.273) 5.396 25.360 ( -2.505 0.000 -8.106) 8.484 25.360 ( 2.505 0.000 -8.106) 8.484 104.281 ( -2.743 0.000 0.500) 2.788 104.281 ( 2.743 0.000 0.500) 2.788 104.510 ( -2.080 0.000 -2.254) 3.067 104.510 ( 2.080 0.000 -2.254) 3.067 105.899 ( -1.808 0.000 0.666) 1.926 105.899 ( 1.808 0.000 0.666) 1.926 106.251 ( -8.373 0.000 -10.170) 13.173 106.251 ( 8.373 0.000 -10.170) 13.173 ======================= Grid point 155 (52/120) ======================= q-point: ( 0.00 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( 0.000 7.522 17.449) 19.002 1.278 ( 0.000 7.642 24.006) 25.193 1.711 ( 0.000 8.869 17.821) 19.906 1.847 ( 0.000 7.917 1.696) 8.096 2.011 ( 0.000 13.567 16.608) 21.445 2.145 ( 0.000 16.177 17.704) 23.982 2.993 ( 0.000 14.089 -4.138) 14.684 2.997 ( 0.000 12.375 -9.810) 15.792 3.025 ( 0.000 4.979 -0.562) 5.010 3.202 ( 0.000 3.555 3.040) 4.678 3.596 ( 0.000 -0.820 8.793) 8.831 3.607 ( 0.000 11.282 -0.822) 11.312 3.880 ( 0.000 7.757 8.721) 11.672 3.892 ( 0.000 12.751 -4.006) 13.365 4.067 ( 0.000 11.052 -2.420) 11.314 4.197 ( 0.000 14.148 -3.125) 14.489 4.435 ( 0.000 -0.719 -7.696) 7.729 4.520 ( 0.000 -1.068 -8.019) 8.090 4.613 ( 0.000 -1.912 -10.237) 10.414 4.721 ( 0.000 -2.436 -10.736) 11.009 5.626 ( 0.000 -1.576 -1.210) 1.987 5.761 ( 0.000 -3.141 -1.691) 3.567 6.032 ( 0.000 -7.978 -1.816) 8.182 6.094 ( 0.000 -9.588 -8.406) 12.752 8.021 ( 0.000 6.515 -3.640) 7.463 8.023 ( 0.000 6.395 -4.961) 8.093 9.295 ( 0.000 -8.810 -5.398) 10.332 9.305 ( 0.000 -10.145 -5.862) 11.717 9.561 ( 0.000 -0.440 -0.055) 0.444 9.618 ( 0.000 1.386 7.389) 7.518 9.784 ( 0.000 -4.922 0.768) 4.982 9.790 ( 0.000 -5.683 -0.216) 5.687 10.217 ( 0.000 10.153 14.508) 17.708 10.452 ( 0.000 0.843 10.682) 10.715 11.005 ( 0.000 -7.700 -6.966) 10.384 11.226 ( 0.000 -3.035 -7.957) 8.516 11.439 ( 0.000 5.484 -5.877) 8.038 11.487 ( 0.000 8.619 -2.074) 8.865 11.607 ( 0.000 8.758 8.213) 12.007 11.888 ( 0.000 4.529 3.592) 5.781 12.696 ( 0.000 -0.907 7.258) 7.314 12.805 ( 0.000 -8.598 6.162) 10.578 13.032 ( 0.000 1.435 0.242) 1.455 13.032 ( 0.000 -0.234 -0.367) 0.435 13.776 ( 0.000 -2.143 -0.766) 2.276 13.851 ( 0.000 -2.401 4.190) 4.829 14.367 ( 0.000 -3.831 -0.663) 3.888 14.399 ( 0.000 -7.835 -8.956) 11.899 17.398 ( 0.000 11.563 1.926) 11.722 17.936 ( 0.000 43.909 -22.201) 49.203 18.152 ( 0.000 8.838 0.284) 8.842 18.428 ( 0.000 27.209 -7.443) 28.209 22.020 ( 0.000 -20.080 5.576) 20.840 22.171 ( 0.000 -20.293 5.060) 20.915 22.360 ( 0.000 -20.871 5.685) 21.631 22.684 ( 0.000 -16.019 -2.318) 16.186 23.207 ( 0.000 18.108 15.968) 24.143 23.237 ( 0.000 24.157 13.899) 27.870 23.347 ( 0.000 22.645 10.360) 24.902 24.220 ( 0.000 -7.959 0.689) 7.989 24.935 ( 0.000 1.699 -0.071) 1.701 25.047 ( 0.000 4.910 -3.853) 6.241 25.324 ( 0.000 2.863 -5.764) 6.436 25.428 ( 0.000 0.757 -7.212) 7.252 104.212 ( 0.000 -0.066 0.257) 0.265 104.288 ( 0.000 -0.319 -0.564) 0.648 104.443 ( 0.000 -2.820 1.192) 3.061 104.520 ( 0.000 -1.000 -0.532) 1.133 105.831 ( 0.000 -2.134 0.085) 2.135 105.841 ( 0.000 -1.839 0.168) 1.847 105.935 ( 0.000 -3.228 1.389) 3.514 106.328 ( 0.000 -6.390 -7.583) 9.916 ======================= Grid point 156 (53/120) ======================= q-point: ( 0.25 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( 13.464 5.829 12.967) 19.581 1.341 ( 5.601 7.322 22.197) 24.035 1.645 ( -6.407 8.300 17.252) 20.189 1.727 ( -11.123 4.145 4.323) 12.633 2.021 ( 3.611 20.256 19.787) 28.546 2.176 ( 0.189 13.800 14.499) 20.018 2.991 ( -0.105 13.221 -6.223) 14.612 2.996 ( -0.126 13.652 -7.175) 15.423 3.053 ( 2.566 4.139 -0.122) 4.871 3.178 ( -2.317 3.667 2.175) 4.852 3.604 ( 0.645 0.381 6.281) 6.326 3.617 ( 0.878 10.101 1.414) 10.237 3.868 ( 0.377 10.665 5.631) 12.067 3.928 ( 1.851 10.393 -0.552) 10.571 4.052 ( -1.458 11.715 -2.100) 11.991 4.111 ( -6.398 14.928 1.331) 16.296 4.457 ( 1.744 -1.126 -9.052) 9.287 4.530 ( -0.373 -1.370 -8.834) 8.947 4.612 ( 1.055 -1.886 -9.928) 10.161 4.706 ( -1.565 -2.456 -10.632) 11.023 5.635 ( 1.403 -1.910 -1.420) 2.762 5.765 ( -2.080 -2.890 -2.664) 4.447 6.024 ( 3.189 -9.380 -5.313) 11.242 6.144 ( 1.554 -10.163 -8.512) 13.348 8.022 ( 0.054 6.486 -3.893) 7.565 8.023 ( 0.023 6.445 -4.573) 7.903 9.299 ( 0.281 -8.944 -5.489) 10.498 9.305 ( 0.031 -9.876 -5.813) 11.460 9.567 ( 0.630 -0.062 1.157) 1.319 9.608 ( -0.924 1.192 6.377) 6.553 9.786 ( 0.249 -5.327 0.520) 5.359 9.792 ( 0.115 -5.630 0.063) 5.631 10.248 ( 2.986 9.242 14.426) 17.391 10.414 ( -3.499 2.699 11.719) 12.524 11.035 ( 2.895 -7.023 -6.644) 10.092 11.192 ( -3.252 -3.527 -7.442) 8.855 11.436 ( 0.170 6.270 -3.820) 7.344 11.476 ( -1.024 8.221 -2.094) 8.545 11.642 ( 3.239 8.229 7.391) 11.526 11.832 ( -4.812 5.786 5.679) 9.428 12.707 ( 0.999 -1.632 6.736) 7.003 12.779 ( -2.194 -6.227 6.193) 9.052 13.020 ( 0.186 -0.184 -0.234) 0.351 13.048 ( 0.043 -0.548 -0.272) 0.613 13.783 ( 0.711 -2.152 0.010) 2.266 13.834 ( -1.433 -2.213 3.328) 4.246 14.384 ( 1.329 -5.043 -2.754) 5.897 14.405 ( 0.365 -7.553 -7.910) 10.943 17.449 ( 5.028 14.095 0.539) 14.975 17.797 ( -10.285 31.404 -12.239) 35.239 18.236 ( 5.462 18.760 -5.329) 20.252 18.402 ( -2.431 26.138 -7.083) 27.189 22.037 ( 1.644 -20.123 5.528) 20.933 22.139 ( -2.651 -20.335 5.203) 21.157 22.412 ( 4.655 -20.621 5.049) 21.734 22.640 ( -4.298 -17.408 -0.829) 17.950 23.227 ( 1.566 20.671 14.188) 25.121 23.261 ( 1.465 22.785 15.877) 27.809 23.368 ( 3.533 20.486 11.384) 23.702 23.950 ( -21.659 1.919 11.516) 24.605 24.954 ( 1.457 1.719 -2.056) 3.050 25.022 ( -1.887 3.947 -3.798) 5.794 25.336 ( 1.364 2.360 -6.188) 6.762 25.413 ( -1.475 0.968 -7.109) 7.325 104.228 ( 1.720 -0.239 0.489) 1.804 104.309 ( 0.196 -0.575 -0.394) 0.724 104.445 ( 1.217 -2.343 -0.391) 2.669 104.518 ( -0.548 -1.470 -1.088) 1.909 105.840 ( 1.128 -2.443 0.407) 2.722 105.893 ( 0.160 -2.982 0.481) 3.025 105.993 ( 8.486 -4.214 -3.355) 10.052 106.294 ( -3.533 -6.541 -7.958) 10.890 ======================= Grid point 157 (54/120) ======================= q-point: (-0.50 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( -12.462 3.555 8.144) 15.305 1.361 ( 12.462 3.555 8.144) 15.305 1.537 ( -5.164 8.749 19.558) 22.039 1.537 ( 5.164 8.749 19.558) 22.039 2.122 ( -5.001 16.653 16.050) 23.663 2.122 ( 5.001 16.653 16.050) 23.664 2.992 ( -0.204 13.331 -6.417) 14.797 2.992 ( 0.204 13.331 -6.417) 14.797 3.117 ( -3.451 3.849 0.817) 5.233 3.117 ( 3.451 3.849 0.817) 5.233 3.621 ( -0.672 5.051 3.648) 6.267 3.621 ( 0.672 5.051 3.648) 6.267 3.913 ( -3.519 11.370 3.942) 12.538 3.913 ( 3.519 11.370 3.942) 12.538 4.032 ( -1.173 13.507 -0.017) 13.558 4.032 ( 1.173 13.507 -0.017) 13.558 4.498 ( -2.159 -1.555 -9.360) 9.731 4.498 ( 2.159 -1.555 -9.360) 9.731 4.659 ( -2.854 -2.167 -10.262) 10.870 4.659 ( 2.854 -2.167 -10.262) 10.870 5.690 ( -3.899 -2.488 -1.985) 5.033 5.690 ( 3.899 -2.488 -1.985) 5.033 6.119 ( -3.990 -10.540 -8.939) 14.385 6.119 ( 3.990 -10.540 -8.939) 14.385 8.023 ( -0.055 6.477 -4.166) 7.701 8.023 ( 0.055 6.477 -4.166) 7.701 9.304 ( -0.184 -9.345 -5.678) 10.936 9.304 ( 0.184 -9.345 -5.678) 10.936 9.585 ( -1.138 0.651 3.875) 4.091 9.585 ( 1.138 0.651 3.875) 4.091 9.792 ( -0.214 -5.637 0.304) 5.649 9.792 ( 0.214 -5.637 0.304) 5.649 10.328 ( -4.564 6.427 13.551) 15.678 10.328 ( 4.564 6.427 13.551) 15.678 11.111 ( -4.305 -5.147 -6.466) 9.319 11.111 ( 4.305 -5.147 -6.466) 9.319 11.451 ( -1.189 7.301 -2.357) 7.764 11.451 ( 1.189 7.301 -2.357) 7.764 11.727 ( -5.035 7.362 7.179) 11.449 11.727 ( 5.035 7.362 7.179) 11.449 12.736 ( -1.854 -3.400 6.129) 7.250 12.736 ( 1.854 -3.400 6.129) 7.250 13.035 ( -1.026 -1.067 -0.363) 1.524 13.035 ( 1.026 -1.067 -0.363) 1.524 13.804 ( -1.369 -2.132 1.603) 2.997 13.804 ( 1.369 -2.132 1.603) 2.997 14.405 ( -0.514 -6.678 -5.755) 8.830 14.405 ( 0.514 -6.678 -5.755) 8.830 17.594 ( -9.107 21.114 -3.951) 23.331 17.594 ( 9.107 21.114 -3.951) 23.331 18.335 ( -4.196 23.512 -6.595) 24.777 18.335 ( 4.196 23.512 -6.595) 24.777 22.082 ( -2.710 -20.244 5.392) 21.125 22.082 ( 2.710 -20.244 5.392) 21.125 22.527 ( -6.268 -19.684 2.648) 20.827 22.527 ( 6.268 -19.684 2.648) 20.827 23.259 ( -1.320 22.713 13.815) 26.617 23.259 ( 1.320 22.713 13.815) 26.617 23.553 ( -15.174 13.775 16.633) 26.394 23.553 ( 15.174 13.775 16.633) 26.394 24.985 ( -1.665 2.554 -3.504) 4.644 24.985 ( 1.665 2.554 -3.504) 4.644 25.374 ( -2.143 1.538 -6.756) 7.253 25.374 ( 2.143 1.538 -6.756) 7.253 104.276 ( -2.623 -0.510 0.604) 2.739 104.276 ( 2.623 -0.510 0.604) 2.739 104.489 ( -2.273 -1.869 -1.783) 3.441 104.489 ( 2.273 -1.869 -1.783) 3.441 105.869 ( -1.638 -2.751 0.784) 3.296 105.869 ( 1.638 -2.751 0.784) 3.296 106.179 ( -8.044 -6.368 -7.814) 12.896 106.179 ( 8.044 -6.368 -7.814) 12.896 ======================= Grid point 160 (55/120) ======================= q-point: ( 0.00 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 174 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( 0.000 14.181 13.261) 19.415 1.524 ( 0.000 15.293 14.293) 20.933 1.867 ( 0.000 0.233 2.842) 2.852 1.927 ( 0.000 11.826 14.842) 18.977 2.500 ( 0.000 22.819 5.463) 23.464 2.548 ( 0.000 19.035 7.717) 20.540 3.124 ( 0.000 11.139 9.597) 14.703 3.245 ( 0.000 10.710 2.072) 10.909 3.414 ( 0.000 17.604 -5.819) 18.541 3.417 ( 0.000 20.544 -5.049) 21.156 3.579 ( 0.000 0.447 8.280) 8.292 3.766 ( 0.000 2.965 2.355) 3.787 4.177 ( 0.000 20.469 2.356) 20.605 4.196 ( 0.000 11.860 -6.034) 13.307 4.314 ( 0.000 9.159 -6.703) 11.350 4.439 ( 0.000 1.901 -6.453) 6.727 4.496 ( 0.000 6.755 -5.346) 8.615 4.549 ( 0.000 8.433 -1.816) 8.626 4.613 ( 0.000 8.457 -8.887) 12.268 4.682 ( 0.000 0.356 -6.291) 6.302 5.580 ( 0.000 -2.874 -0.624) 2.941 5.674 ( 0.000 -4.891 -0.204) 4.895 5.867 ( 0.000 -7.226 0.527) 7.245 5.868 ( 0.000 -11.227 -3.107) 11.649 8.154 ( 0.000 5.742 -10.516) 11.982 8.163 ( 0.000 6.446 -9.396) 11.395 9.071 ( 0.000 -11.196 -5.606) 12.521 9.096 ( 0.000 -9.479 -5.935) 11.184 9.424 ( 0.000 -10.786 5.090) 11.926 9.479 ( 0.000 -11.392 5.867) 12.815 9.809 ( 0.000 5.722 -4.058) 7.015 9.873 ( 0.000 9.589 -1.773) 9.752 10.307 ( 0.000 -2.660 8.054) 8.482 10.397 ( 0.000 -5.532 7.875) 9.624 10.987 ( 0.000 6.873 -7.779) 10.380 11.236 ( 0.000 3.723 -11.951) 12.517 11.536 ( 0.000 3.530 -6.221) 7.153 11.643 ( 0.000 5.901 -4.841) 7.632 11.784 ( 0.000 7.035 16.736) 18.155 11.928 ( 0.000 -1.245 17.562) 17.606 12.664 ( 0.000 -4.328 2.045) 4.787 12.675 ( 0.000 -1.040 2.151) 2.389 13.048 ( 0.000 2.283 5.465) 5.923 13.089 ( 0.000 4.027 4.886) 6.331 13.710 ( 0.000 -4.151 -2.533) 4.863 13.783 ( 0.000 -4.161 1.601) 4.459 14.225 ( 0.000 -8.124 -5.255) 9.675 14.265 ( 0.000 -5.565 -0.524) 5.589 17.702 ( 0.000 16.749 2.477) 16.931 18.396 ( 0.000 13.848 2.779) 14.124 18.779 ( 0.000 34.823 -31.219) 46.768 19.117 ( 0.000 34.566 -19.788) 39.829 21.638 ( 0.000 -15.872 3.572) 16.269 21.772 ( 0.000 -17.137 3.093) 17.414 21.968 ( 0.000 -16.606 3.302) 16.931 22.292 ( 0.000 -19.923 -2.909) 20.134 23.538 ( 0.000 12.946 13.642) 18.806 23.720 ( 0.000 20.185 8.192) 21.784 23.783 ( 0.000 19.348 7.436) 20.728 24.051 ( 0.000 -7.812 7.854) 11.077 25.006 ( 0.000 5.614 2.017) 5.965 25.203 ( 0.000 9.998 0.826) 10.032 25.425 ( 0.000 7.139 -1.995) 7.413 25.464 ( 0.000 3.173 -2.366) 3.958 104.212 ( 0.000 0.085 0.289) 0.301 104.279 ( 0.000 -0.516 -0.488) 0.710 104.384 ( 0.000 -2.644 2.000) 3.316 104.490 ( 0.000 -1.791 -0.615) 1.894 105.772 ( 0.000 -3.468 0.050) 3.468 105.788 ( 0.000 -3.217 0.069) 3.218 105.849 ( 0.000 -4.730 1.600) 4.994 106.153 ( 0.000 -9.956 -5.357) 11.306 ======================= Grid point 161 (56/120) ======================= q-point: ( 0.25 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( 9.663 11.498 11.122) 18.689 1.566 ( 3.089 13.617 12.147) 18.507 1.771 ( -7.710 3.536 7.002) 10.999 1.873 ( -5.100 11.893 15.353) 20.079 2.513 ( 1.381 21.930 5.040) 22.544 2.559 ( 0.390 18.754 6.105) 19.727 3.147 ( 2.114 10.850 9.198) 14.381 3.232 ( -1.245 10.456 4.322) 11.383 3.403 ( -0.655 19.130 -6.021) 20.066 3.412 ( -0.659 18.824 -6.191) 19.827 3.610 ( 2.947 1.550 7.202) 7.934 3.743 ( -2.184 2.850 3.300) 4.877 4.208 ( 2.621 19.960 0.431) 20.137 4.215 ( 1.664 12.353 -5.529) 13.635 4.315 ( 0.337 9.496 -5.508) 10.983 4.434 ( -1.714 6.051 -4.308) 7.623 4.470 ( -0.703 8.531 -4.544) 9.691 4.561 ( -2.741 10.173 -5.310) 11.798 4.584 ( 1.115 2.100 -6.137) 6.581 4.667 ( -1.480 0.425 -6.297) 6.483 5.582 ( 0.773 -3.130 -0.449) 3.255 5.685 ( -1.521 -4.594 -1.320) 5.016 5.819 ( 1.183 -9.663 -1.310) 9.823 5.917 ( 0.560 -10.606 -2.679) 10.954 8.155 ( 0.152 5.815 -10.230) 11.768 8.162 ( -0.103 6.321 -9.446) 11.367 9.077 ( 0.481 -10.993 -5.661) 12.374 9.094 ( -0.205 -9.790 -5.905) 11.435 9.432 ( 0.763 -10.895 5.196) 12.095 9.471 ( -0.761 -11.343 5.734) 12.732 9.818 ( 0.901 6.338 -3.681) 7.385 9.864 ( -0.875 9.093 -2.048) 9.362 10.319 ( 1.158 -3.145 7.918) 8.598 10.383 ( -1.329 -5.155 7.800) 9.443 11.026 ( 3.586 6.560 -8.231) 11.120 11.202 ( -3.259 4.245 -11.303) 12.506 11.549 ( 1.347 4.141 -5.641) 7.126 11.626 ( -1.590 5.713 -4.808) 7.635 11.804 ( 1.879 6.004 16.854) 17.990 11.905 ( -2.102 0.344 17.552) 17.681 12.662 ( -0.094 -3.540 2.324) 4.235 12.673 ( -0.289 -1.782 2.598) 3.163 13.044 ( -0.109 2.662 5.150) 5.799 13.076 ( -1.161 3.529 4.769) 6.045 13.718 ( 0.766 -4.082 -1.775) 4.516 13.769 ( -1.281 -4.064 1.050) 4.389 14.236 ( 0.988 -7.840 -4.522) 9.104 14.265 ( -0.126 -6.116 -1.259) 6.245 17.785 ( 7.995 17.292 1.010) 19.077 18.261 ( -11.452 16.664 -2.288) 20.349 18.849 ( 5.558 32.918 -23.630) 40.901 19.072 ( -4.112 34.033 -18.603) 39.003 21.654 ( 1.473 -15.976 3.510) 16.423 21.744 ( -2.315 -16.784 3.214) 17.245 22.016 ( 4.257 -17.138 2.932) 17.900 22.240 ( -4.814 -19.458 -1.265) 20.085 23.574 ( 3.621 12.336 13.584) 18.704 23.735 ( 0.883 20.592 9.871) 22.853 23.768 ( -1.079 17.305 6.481) 18.510 23.951 ( -8.284 -1.357 10.300) 13.287 25.031 ( 2.298 6.115 1.386) 6.679 25.163 ( -3.389 9.561 0.777) 10.173 25.424 ( 0.254 6.433 -2.134) 6.783 25.458 ( -0.720 3.903 -2.316) 4.595 104.224 ( 1.353 -0.123 0.607) 1.488 104.294 ( -0.012 -0.795 -0.137) 0.807 104.391 ( 1.573 -2.557 0.625) 3.066 104.480 ( -1.112 -2.105 -0.859) 2.531 105.774 ( 0.698 -3.662 0.519) 3.764 105.813 ( -0.046 -4.476 0.712) 4.533 105.890 ( 5.374 -5.354 -1.163) 7.674 106.120 ( -3.330 -9.674 -5.231) 11.491 ======================= Grid point 162 (57/120) ======================= q-point: (-0.50 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( -11.652 7.229 6.591) 15.214 1.478 ( 11.652 7.229 6.591) 15.214 1.750 ( -5.849 12.525 16.324) 21.390 1.750 ( 5.849 12.525 16.324) 21.390 2.547 ( -1.524 19.857 4.692) 20.460 2.547 ( 1.524 19.857 4.692) 20.460 3.196 ( -2.337 10.396 7.721) 13.159 3.196 ( 2.337 10.396 7.721) 13.159 3.399 ( -0.369 18.977 -6.825) 20.170 3.399 ( 0.369 18.977 -6.825) 20.170 3.682 ( -3.687 2.602 5.197) 6.883 3.682 ( 3.687 2.602 5.197) 6.883 4.241 ( -0.390 14.230 -5.020) 15.095 4.241 ( 0.390 14.230 -5.020) 15.095 4.358 ( -4.263 14.435 -0.694) 15.067 4.358 ( 4.263 14.435 -0.694) 15.067 4.495 ( -2.550 5.356 -6.151) 8.546 4.495 ( 2.550 5.356 -6.151) 8.546 4.627 ( -2.310 1.275 -5.846) 6.414 4.627 ( 2.310 1.275 -5.846) 6.414 5.622 ( -3.164 -3.879 -0.822) 5.072 5.622 ( 3.164 -3.879 -0.822) 5.072 5.885 ( -3.388 -10.927 -3.131) 11.861 5.885 ( 3.388 -10.927 -3.131) 11.861 8.159 ( -0.186 6.043 -9.721) 11.448 8.159 ( 0.186 6.043 -9.721) 11.448 9.087 ( -0.489 -10.444 -5.795) 11.954 9.087 ( 0.489 -10.444 -5.795) 11.954 9.451 ( -1.070 -11.151 5.452) 12.458 9.451 ( 1.070 -11.151 5.452) 12.458 9.841 ( -1.247 7.776 -2.816) 8.363 9.841 ( 1.247 7.776 -2.816) 8.363 10.350 ( -1.782 -4.199 7.757) 8.999 10.350 ( 1.782 -4.199 7.757) 8.999 11.116 ( -4.873 5.527 -9.647) 12.139 11.116 ( 4.873 5.527 -9.647) 12.139 11.586 ( -2.127 5.102 -4.929) 7.406 11.586 ( 2.127 5.102 -4.929) 7.406 11.853 ( -2.794 3.478 17.250) 17.817 11.853 ( 2.794 3.478 17.250) 17.817 12.665 ( -0.415 -2.634 2.828) 3.887 12.665 ( 0.415 -2.634 2.828) 3.887 13.052 ( -0.943 3.006 4.727) 5.680 13.052 ( 0.943 3.006 4.727) 5.680 13.740 ( -1.395 -3.998 -0.269) 4.243 13.740 ( 1.395 -3.998 -0.269) 4.243 14.256 ( -0.800 -7.102 -2.887) 7.707 14.256 ( 0.800 -7.102 -2.887) 7.707 18.003 ( -12.865 17.969 -2.147) 22.203 18.003 ( 12.865 17.969 -2.147) 22.203 18.968 ( -5.860 32.922 -18.498) 38.215 18.968 ( 5.860 32.922 -18.498) 38.215 21.694 ( -2.389 -16.298 3.377) 16.814 21.694 ( 2.389 -16.298 3.377) 16.814 22.123 ( -6.080 -18.268 1.492) 19.311 22.123 ( 6.080 -18.268 1.492) 19.311 23.676 ( -5.642 13.606 12.176) 19.110 23.676 ( 5.642 13.606 12.176) 19.110 23.807 ( -4.619 12.773 9.221) 16.417 23.807 ( 4.619 12.773 9.221) 16.417 25.090 ( -3.468 7.785 0.729) 8.553 25.090 ( 3.468 7.785 0.729) 8.553 25.438 ( -1.011 5.159 -2.256) 5.720 25.438 ( 1.011 5.159 -2.256) 5.720 104.264 ( -2.262 -0.584 0.768) 2.459 104.264 ( 2.262 -0.584 0.768) 2.459 104.442 ( -2.627 -2.478 -1.031) 3.756 104.442 ( 2.627 -2.478 -1.031) 3.756 105.795 ( -1.200 -4.166 0.898) 4.427 105.795 ( 1.200 -4.166 0.898) 4.427 106.021 ( -6.316 -8.270 -4.212) 11.226 106.021 ( 6.316 -8.270 -4.212) 11.226 ======================= Grid point 165 (58/120) ======================= q-point: ( 0.00 0.21 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( 0.000 16.297 9.518) 18.873 1.835 ( 0.000 8.391 3.882) 9.245 1.939 ( 0.000 12.359 10.036) 15.921 2.196 ( 0.000 14.071 10.259) 17.414 2.757 ( 0.000 3.587 -4.108) 5.454 2.800 ( 0.000 4.714 -1.295) 4.889 3.521 ( 0.000 14.716 7.247) 16.403 3.571 ( 0.000 20.291 7.463) 21.620 3.628 ( 0.000 14.748 12.822) 19.542 3.733 ( 0.000 5.748 5.907) 8.242 3.775 ( 0.000 14.456 -9.837) 17.485 3.903 ( 0.000 12.484 -10.855) 16.543 4.255 ( 0.000 -1.374 -7.755) 7.875 4.375 ( 0.000 -0.771 -7.637) 7.676 4.432 ( 0.000 2.312 -4.385) 4.958 4.540 ( 0.000 5.118 -3.399) 6.144 4.713 ( 0.000 21.008 0.186) 21.009 4.866 ( 0.000 17.176 -1.462) 17.238 4.880 ( 0.000 19.129 0.410) 19.133 4.895 ( 0.000 13.123 -4.508) 13.876 5.510 ( 0.000 -3.802 0.071) 3.803 5.574 ( 0.000 -4.441 1.313) 4.631 5.654 ( 0.000 -9.063 0.007) 9.063 5.748 ( 0.000 -3.889 1.460) 4.154 8.248 ( 0.000 2.984 -11.158) 11.550 8.267 ( 0.000 3.049 -10.471) 10.906 8.887 ( 0.000 -5.464 -6.259) 8.308 8.936 ( 0.000 -5.286 -7.173) 8.910 9.188 ( 0.000 -11.176 4.870) 12.191 9.221 ( 0.000 -12.986 5.676) 14.172 9.956 ( 0.000 7.761 -1.990) 8.012 10.093 ( 0.000 11.134 -1.995) 11.312 10.173 ( 0.000 -8.425 1.123) 8.500 10.260 ( 0.000 -6.888 2.989) 7.509 11.206 ( 0.000 11.860 -10.520) 15.854 11.338 ( 0.000 4.545 -12.146) 12.969 11.596 ( 0.000 3.396 -5.233) 6.238 11.721 ( 0.000 2.005 -5.412) 5.772 11.851 ( 0.000 -5.294 20.584) 21.254 11.861 ( 0.000 0.094 19.730) 19.730 12.599 ( 0.000 -3.199 1.007) 3.353 12.641 ( 0.000 -2.983 0.156) 2.987 13.144 ( 0.000 6.785 9.945) 12.039 13.187 ( 0.000 4.869 8.016) 9.379 13.612 ( 0.000 -4.801 -4.209) 6.385 13.685 ( 0.000 -4.764 -0.699) 4.815 14.088 ( 0.000 -4.811 -2.443) 5.395 14.154 ( 0.000 -4.829 -0.218) 4.834 18.059 ( 0.000 17.217 4.642) 17.832 18.694 ( 0.000 14.316 5.623) 15.380 19.366 ( 0.000 21.684 -27.730) 35.201 19.712 ( 0.000 21.093 -19.032) 28.410 21.377 ( 0.000 -9.348 0.103) 9.349 21.498 ( 0.000 -8.552 -3.561) 9.264 21.678 ( 0.000 -11.356 -0.365) 11.362 21.913 ( 0.000 -15.967 -5.567) 16.910 23.728 ( 0.000 5.313 10.171) 11.475 23.910 ( 0.000 -5.219 9.122) 10.510 24.012 ( 0.000 8.719 0.504) 8.734 24.139 ( 0.000 13.372 2.297) 13.568 25.183 ( 0.000 11.652 5.845) 13.036 25.446 ( 0.000 12.901 4.457) 13.650 25.577 ( 0.000 7.967 5.619) 9.749 25.620 ( 0.000 11.505 3.773) 12.108 104.216 ( 0.000 0.296 0.286) 0.412 104.267 ( 0.000 -0.554 -0.361) 0.661 104.337 ( 0.000 -1.885 1.800) 2.607 104.448 ( 0.000 -2.268 -0.699) 2.373 105.693 ( 0.000 -3.997 0.131) 3.999 105.713 ( 0.000 -3.846 -0.027) 3.846 105.748 ( 0.000 -4.824 1.246) 4.982 105.939 ( 0.000 -10.236 -3.051) 10.681 ======================= Grid point 166 (59/120) ======================= q-point: ( 0.25 0.21 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( 4.957 13.969 9.282) 17.489 1.786 ( -5.271 5.673 5.552) 9.529 1.964 ( 3.109 16.479 9.627) 19.337 2.154 ( -3.968 14.842 9.930) 18.293 2.769 ( 1.066 3.733 -3.966) 5.550 2.802 ( -0.027 4.344 -2.139) 4.842 3.526 ( 0.459 15.166 7.412) 16.887 3.552 ( -1.008 18.712 8.244) 20.473 3.659 ( 1.965 14.789 10.601) 18.302 3.720 ( -1.135 8.827 5.246) 10.331 3.793 ( 1.840 12.448 -8.716) 15.307 3.886 ( -1.623 12.329 -10.068) 16.000 4.273 ( 1.652 -1.256 -7.895) 8.163 4.357 ( -1.667 -0.773 -7.847) 8.059 4.455 ( 2.030 1.924 -4.476) 5.278 4.530 ( -0.990 4.273 -3.606) 5.679 4.742 ( 2.691 20.869 0.207) 21.043 4.861 ( -0.400 16.289 -1.352) 16.350 4.869 ( -1.346 19.308 -0.515) 19.362 4.882 ( -1.041 15.973 -1.914) 16.121 5.512 ( 0.511 -3.500 0.507) 3.573 5.587 ( -0.722 -4.478 0.345) 4.549 5.634 ( 0.491 -8.043 0.184) 8.060 5.737 ( -1.437 -6.135 0.435) 6.315 8.251 ( 0.274 3.022 -10.910) 11.324 8.265 ( -0.247 3.088 -10.447) 10.897 8.894 ( 0.736 -5.502 -6.343) 8.429 8.929 ( -0.645 -5.379 -6.990) 8.843 9.192 ( 0.381 -11.507 4.919) 12.520 9.215 ( -0.526 -12.755 5.482) 13.893 9.977 ( 1.992 8.204 -1.978) 8.671 10.075 ( -1.785 10.671 -2.027) 11.007 10.184 ( 1.118 -8.156 1.462) 8.361 10.247 ( -1.279 -6.996 2.692) 7.604 11.228 ( 2.041 10.839 -10.964) 15.552 11.322 ( -1.597 5.786 -12.131) 13.535 11.614 ( 1.723 2.986 -5.193) 6.233 11.704 ( -1.681 2.206 -5.682) 6.323 11.849 ( -0.041 -3.571 21.050) 21.350 11.860 ( -0.212 -2.017 19.810) 19.914 12.604 ( 0.554 -2.926 1.154) 3.194 12.636 ( -0.528 -2.843 0.426) 2.923 13.144 ( 0.161 6.723 9.528) 11.662 13.176 ( -1.043 5.334 8.149) 9.795 13.622 ( 0.936 -4.667 -3.460) 5.885 13.674 ( -1.096 -4.628 -0.995) 4.859 14.101 ( 1.166 -4.947 -2.097) 5.498 14.147 ( -0.678 -4.947 -0.526) 5.021 18.141 ( 7.912 16.842 3.701) 18.973 18.584 ( -9.808 14.797 3.125) 18.026 19.429 ( 5.478 21.824 -23.959) 32.868 19.666 ( -4.266 21.472 -18.966) 28.965 21.390 ( 1.307 -9.396 -0.144) 9.488 21.472 ( -2.143 -8.946 -2.403) 9.508 21.716 ( 3.304 -11.599 -1.409) 12.143 21.877 ( -3.295 -14.963 -4.673) 16.018 23.739 ( 1.309 4.064 10.075) 10.942 23.866 ( -3.737 -3.026 9.149) 10.335 24.040 ( 2.380 9.580 1.217) 9.946 24.128 ( -1.165 12.587 2.131) 12.820 25.216 ( 3.103 11.748 5.683) 13.414 25.396 ( -4.283 12.400 4.871) 13.993 25.587 ( 0.713 9.245 5.061) 10.564 25.615 ( -0.518 11.160 4.046) 11.882 104.224 ( 0.963 0.139 0.586) 1.135 104.278 ( -0.084 -0.679 0.023) 0.684 104.344 ( 1.426 -1.990 0.816) 2.580 104.433 ( -1.423 -2.364 -0.755) 2.861 105.694 ( 0.322 -3.935 0.414) 3.970 105.717 ( -0.246 -4.562 0.677) 4.618 105.777 ( 3.021 -5.434 -0.345) 6.227 105.915 ( -2.291 -9.639 -2.817) 10.300 ======================= Grid point 167 (60/120) ======================= q-point: (-0.50 0.21 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( -7.495 8.965 8.110) 14.224 1.648 ( 7.495 8.965 8.110) 14.224 2.055 ( -5.324 16.420 9.411) 19.661 2.055 ( 5.324 16.420 9.411) 19.661 2.792 ( -0.977 3.957 -3.375) 5.292 2.792 ( 0.977 3.957 -3.375) 5.292 3.537 ( -0.592 16.778 7.853) 18.534 3.537 ( 0.592 16.778 7.853) 18.534 3.693 ( -1.502 12.247 7.134) 14.253 3.693 ( 1.502 12.247 7.134) 14.253 3.842 ( -2.612 12.010 -8.649) 15.029 3.842 ( 2.612 12.010 -8.649) 15.029 4.315 ( -2.334 -0.963 -8.034) 8.421 4.315 ( 2.334 -0.963 -8.034) 8.421 4.499 ( -2.063 2.419 -4.260) 5.315 4.499 ( 2.063 2.419 -4.260) 5.315 4.810 ( -3.639 19.600 -0.318) 19.937 4.810 ( 3.639 19.600 -0.318) 19.937 4.866 ( -0.556 17.689 -0.502) 17.705 4.866 ( 0.556 17.689 -0.502) 17.705 5.540 ( -2.326 -3.801 0.478) 4.482 5.540 ( 2.326 -3.801 0.478) 4.482 5.688 ( -3.223 -7.748 -0.439) 8.403 5.688 ( 3.223 -7.748 -0.439) 8.403 8.258 ( -0.409 3.093 -10.543) 10.995 8.258 ( 0.409 3.093 -10.543) 10.995 8.913 ( -0.961 -5.505 -6.617) 8.661 8.913 ( 0.961 -5.505 -6.617) 8.661 9.203 ( -0.636 -12.182 5.128) 13.233 9.203 ( 0.636 -12.182 5.128) 13.233 10.027 ( -2.718 9.343 -1.981) 9.930 10.027 ( 2.718 9.343 -1.981) 9.930 10.214 ( -1.757 -7.412 2.065) 7.892 10.214 ( 1.757 -7.412 2.065) 7.892 11.278 ( -2.600 8.400 -11.748) 14.675 11.278 ( 2.600 8.400 -11.748) 14.675 11.659 ( -2.536 2.502 -5.445) 6.507 11.659 ( 2.536 2.502 -5.445) 6.507 11.853 ( -0.373 -2.978 20.582) 20.800 11.853 ( 0.373 -2.978 20.582) 20.800 12.620 ( -0.947 -2.669 1.004) 3.005 12.620 ( 0.947 -2.669 1.004) 3.005 13.154 ( -0.873 6.226 8.702) 10.735 13.154 ( 0.873 6.226 8.702) 10.735 13.647 ( -1.412 -4.521 -2.015) 5.147 13.647 ( 1.412 -4.521 -2.015) 5.147 14.127 ( -1.276 -5.070 -1.289) 5.385 14.127 ( 1.276 -5.070 -1.289) 5.385 18.352 ( -12.088 15.863 2.173) 20.062 18.352 ( 12.088 15.863 2.173) 20.062 19.555 ( -6.381 21.919 -20.015) 30.361 19.555 ( 6.381 21.919 -20.015) 30.361 21.426 ( -2.173 -9.338 -0.961) 9.636 21.426 ( 2.173 -9.338 -0.961) 9.636 21.796 ( -4.350 -12.952 -2.978) 13.984 21.796 ( 4.350 -12.952 -2.978) 13.984 23.788 ( -3.488 0.919 9.744) 10.390 23.788 ( 3.488 0.919 9.744) 10.390 24.091 ( -2.374 11.182 1.764) 11.567 24.091 ( 2.374 11.182 1.764) 11.567 25.299 ( -4.870 12.043 5.331) 14.042 25.299 ( 4.870 12.043 5.331) 14.042 25.602 ( -0.736 10.472 4.474) 11.411 25.602 ( 0.736 10.472 4.474) 11.411 104.254 ( -1.746 -0.329 0.762) 1.933 104.254 ( 1.746 -0.329 0.762) 1.933 104.392 ( -2.610 -2.342 -0.594) 3.557 104.392 ( 2.610 -2.342 -0.594) 3.557 105.706 ( -0.694 -4.305 0.742) 4.424 105.706 ( 0.694 -4.305 0.742) 4.424 105.852 ( -3.815 -7.813 -1.964) 8.914 105.852 ( 3.815 -7.813 -1.964) 8.914 ======================= Grid point 170 (61/120) ======================= q-point: ( 0.00 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 174 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( 0.000 14.551 6.604) 15.980 1.911 ( 0.000 2.699 9.333) 9.715 2.307 ( 0.000 18.730 1.817) 18.818 2.501 ( 0.000 15.017 5.318) 15.931 2.761 ( 0.000 -1.709 -1.325) 2.162 2.799 ( 0.000 -3.493 -2.218) 4.138 3.627 ( 0.000 4.394 1.397) 4.611 3.770 ( 0.000 1.902 3.158) 3.686 3.853 ( 0.000 1.384 -13.859) 13.927 4.022 ( 0.000 -1.456 -12.730) 12.813 4.069 ( 0.000 16.116 5.350) 16.981 4.213 ( 0.000 27.804 10.425) 29.694 4.240 ( 0.000 2.070 -3.090) 3.719 4.345 ( 0.000 -1.870 -7.377) 7.610 4.577 ( 0.000 12.000 -0.764) 12.024 4.723 ( 0.000 12.762 1.066) 12.807 5.096 ( 0.000 6.862 -1.010) 6.936 5.135 ( 0.000 16.604 -0.405) 16.609 5.186 ( 0.000 10.686 -3.062) 11.116 5.281 ( 0.000 16.648 -0.724) 16.663 5.433 ( 0.000 -1.820 0.931) 2.044 5.510 ( 0.000 -1.037 2.145) 2.382 5.528 ( 0.000 -1.332 3.189) 3.456 5.721 ( 0.000 1.603 1.861) 2.456 8.270 ( 0.000 -0.589 -7.422) 7.445 8.273 ( 0.000 -2.022 -5.627) 5.979 8.858 ( 0.000 -5.345 -1.998) 5.706 8.868 ( 0.000 1.166 -6.009) 6.121 8.967 ( 0.000 -8.873 3.556) 9.559 9.013 ( 0.000 -2.631 -2.304) 3.497 9.993 ( 0.000 -8.671 -4.268) 9.664 10.050 ( 0.000 -3.420 -2.080) 4.003 10.195 ( 0.000 5.239 -0.803) 5.300 10.322 ( 0.000 10.810 -1.254) 10.883 11.357 ( 0.000 -2.983 -3.720) 4.768 11.401 ( 0.000 4.814 -10.867) 11.885 11.715 ( 0.000 3.350 1.796) 3.801 11.747 ( 0.000 -0.032 3.862) 3.863 11.761 ( 0.000 2.148 3.481) 4.091 11.836 ( 0.000 1.014 5.731) 5.820 12.497 ( 0.000 -6.864 3.857) 7.873 12.528 ( 0.000 -8.060 3.121) 8.643 13.241 ( 0.000 -1.254 2.255) 2.581 13.255 ( 0.000 0.647 2.274) 2.364 13.566 ( 0.000 2.700 2.668) 3.796 13.629 ( 0.000 0.609 3.632) 3.683 14.027 ( 0.000 -1.208 -0.097) 1.212 14.074 ( 0.000 -2.819 0.541) 2.870 18.409 ( 0.000 16.678 7.347) 18.225 18.972 ( 0.000 12.287 7.906) 14.611 19.677 ( 0.000 8.589 -18.006) 19.949 19.959 ( 0.000 3.227 -9.129) 9.682 21.246 ( 0.000 -3.459 -3.544) 4.952 21.422 ( 0.000 0.231 -13.502) 13.504 21.496 ( 0.000 -6.397 -4.220) 7.663 21.648 ( 0.000 -9.403 -10.954) 14.436 23.758 ( 0.000 -1.026 6.712) 6.790 23.871 ( 0.000 1.016 7.776) 7.842 24.115 ( 0.000 1.913 -3.228) 3.752 24.305 ( 0.000 3.015 -5.119) 5.941 25.475 ( 0.000 15.797 9.920) 18.653 25.712 ( 0.000 12.393 6.521) 14.004 25.782 ( 0.000 11.025 11.932) 16.246 25.880 ( 0.000 12.748 8.802) 15.492 104.224 ( 0.000 0.403 0.275) 0.488 104.257 ( 0.000 -0.478 -0.203) 0.519 104.305 ( 0.000 -1.216 1.229) 1.729 104.399 ( 0.000 -2.383 -0.733) 2.493 105.612 ( 0.000 -3.741 0.255) 3.750 105.634 ( 0.000 -3.677 -0.090) 3.678 105.654 ( 0.000 -4.187 0.652) 4.238 105.744 ( 0.000 -8.327 -1.324) 8.431 ======================= Grid point 171 (62/120) ======================= q-point: ( 0.25 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.801 ( 1.230 13.024 7.157) 14.912 1.887 ( -2.124 4.746 9.050) 10.437 2.337 ( 2.777 18.190 2.339) 18.549 2.473 ( -2.590 15.599 4.776) 16.518 2.770 ( 0.849 -2.057 -1.568) 2.722 2.798 ( -0.173 -3.375 -2.155) 4.009 3.643 ( 1.533 4.200 1.242) 4.640 3.734 ( -2.596 2.909 1.032) 4.033 3.891 ( 2.702 -0.179 -12.628) 12.915 3.996 ( -2.205 -0.922 -12.318) 12.548 4.092 ( 2.087 17.079 6.250) 18.306 4.190 ( -1.877 23.860 8.942) 25.550 4.267 ( 2.052 3.837 -2.907) 5.233 4.336 ( -0.926 -0.284 -6.416) 6.488 4.595 ( 1.716 11.772 -0.599) 11.912 4.699 ( -2.252 12.241 0.637) 12.462 5.107 ( 1.068 7.704 -0.941) 7.834 5.142 ( 0.284 14.614 -0.051) 14.617 5.195 ( 1.060 12.094 -2.256) 12.349 5.268 ( -1.314 15.772 -0.651) 15.840 5.445 ( 1.093 -1.133 1.194) 1.976 5.505 ( -0.927 -2.538 2.141) 3.447 5.538 ( 1.760 0.749 1.944) 2.727 5.684 ( -3.448 1.272 1.584) 4.002 8.272 ( 0.212 -0.681 -7.019) 7.055 8.275 ( 0.132 -1.676 -5.814) 6.052 8.855 ( -0.096 -4.152 -2.572) 4.885 8.867 ( -0.279 -1.136 -4.415) 4.567 8.973 ( 0.570 -7.357 2.067) 7.663 9.006 ( -0.665 -3.269 -1.761) 3.772 10.006 ( 1.171 -8.493 -4.011) 9.465 10.049 ( -0.261 -5.429 -2.593) 6.022 10.207 ( 1.347 7.296 -0.732) 7.456 10.300 ( -2.048 10.633 -1.148) 10.889 11.367 ( 0.862 -2.115 -4.994) 5.492 11.398 ( -0.335 3.280 -9.796) 10.336 11.717 ( 0.106 4.137 1.115) 4.286 11.733 ( -0.635 -0.794 5.415) 5.510 11.778 ( 0.969 2.237 3.165) 3.996 11.819 ( -1.313 1.349 5.472) 5.787 12.505 ( 0.687 -6.925 3.731) 7.896 12.527 ( -0.136 -7.838 3.191) 8.464 13.241 ( 0.008 -0.818 2.196) 2.343 13.251 ( -0.358 0.546 2.312) 2.402 13.576 ( 0.946 2.378 2.921) 3.884 13.621 ( -0.798 0.920 3.617) 3.817 14.035 ( 0.715 -1.527 0.006) 1.687 14.068 ( -0.586 -2.659 0.460) 2.761 18.481 ( 6.846 16.000 6.756) 18.668 18.872 ( -8.882 12.879 6.423) 16.912 19.736 ( 5.047 7.983 -15.408) 18.072 19.929 ( -2.957 4.185 -9.850) 11.103 21.261 ( 1.415 -3.376 -4.081) 5.482 21.370 ( -3.553 -1.858 -8.851) 9.717 21.541 ( 2.946 -5.270 -8.172) 10.161 21.634 ( -1.382 -8.454 -10.685) 13.695 23.763 ( 0.634 -0.556 6.819) 6.871 23.839 ( -2.574 0.638 7.300) 7.767 24.157 ( 3.511 2.220 -3.209) 5.249 24.286 ( -1.905 2.897 -4.782) 5.907 25.503 ( 2.685 15.333 9.863) 18.428 25.661 ( -3.968 12.846 8.499) 15.906 25.811 ( 1.852 11.459 10.030) 15.341 25.870 ( -0.935 12.569 8.874) 15.414 104.229 ( 0.661 0.292 0.475) 0.865 104.267 ( 0.081 -0.436 -0.022) 0.444 104.308 ( 0.981 -1.442 0.686) 1.874 104.385 ( -1.389 -2.313 -0.684) 2.783 105.614 ( 0.243 -3.708 0.321) 3.730 105.629 ( -0.369 -3.808 0.339) 3.841 105.670 ( 1.406 -4.801 -0.053) 5.003 105.733 ( -1.084 -7.791 -1.185) 7.954 ======================= Grid point 172 (63/120) ======================= q-point: (-0.50 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.839 ( -2.383 9.131 8.242) 12.529 1.839 ( 2.383 9.131 8.242) 12.529 2.406 ( -3.732 16.926 3.541) 17.690 2.406 ( 3.732 16.926 3.541) 17.690 2.789 ( -0.796 -2.828 -1.947) 3.524 2.789 ( 0.796 -2.828 -1.947) 3.524 3.683 ( -2.335 3.692 0.875) 4.455 3.683 ( 2.335 3.692 0.875) 4.455 3.945 ( -2.636 -1.015 -12.704) 13.014 3.945 ( 2.636 -1.015 -12.704) 13.014 4.143 ( -2.702 20.299 7.937) 21.962 4.143 ( 2.702 20.299 7.937) 21.962 4.308 ( -1.811 2.357 -4.562) 5.445 4.308 ( 1.811 2.357 -4.562) 5.445 4.643 ( -2.904 11.645 -0.086) 12.001 4.643 ( 2.904 11.645 -0.086) 12.001 5.132 ( -1.131 10.212 -0.469) 10.285 5.132 ( 1.131 10.212 -0.469) 10.285 5.231 ( -2.137 14.549 -0.845) 14.729 5.231 ( 2.137 14.549 -0.845) 14.729 5.475 ( -1.768 -1.019 1.624) 2.607 5.475 ( 1.768 -1.019 1.624) 2.607 5.602 ( -4.137 0.670 1.177) 4.353 5.602 ( 4.137 0.670 1.177) 4.353 8.276 ( -0.117 -1.051 -6.309) 6.397 8.276 ( 0.117 -1.051 -6.309) 6.397 8.858 ( -0.389 -3.167 -3.017) 4.391 8.858 ( 0.389 -3.167 -3.017) 4.391 8.989 ( -0.942 -4.907 -0.286) 5.004 8.989 ( 0.942 -4.907 -0.286) 5.004 10.033 ( -1.299 -7.767 -3.407) 8.580 10.033 ( 1.299 -7.767 -3.407) 8.580 10.250 ( -2.673 9.795 -0.876) 10.191 10.250 ( 2.673 9.795 -0.876) 10.191 11.386 ( -0.873 0.261 -7.538) 7.593 11.386 ( 0.873 0.261 -7.538) 7.593 11.722 ( -0.487 1.725 3.468) 3.904 11.722 ( 0.487 1.725 3.468) 3.904 11.796 ( -0.916 1.959 4.308) 4.821 11.796 ( 0.916 1.959 4.308) 4.821 12.519 ( -0.623 -7.308 3.432) 8.098 12.519 ( 0.623 -7.308 3.432) 8.098 13.244 ( -0.306 0.028 2.244) 2.265 13.244 ( 0.306 0.028 2.244) 2.265 13.599 ( -1.230 1.648 3.388) 3.963 13.599 ( 1.230 1.648 3.388) 3.963 14.052 ( -0.917 -2.172 0.244) 2.371 14.052 ( 0.917 -2.172 0.244) 2.371 18.664 ( -10.629 14.398 5.830) 18.822 18.664 ( 10.629 14.398 5.830) 18.822 19.845 ( -5.164 6.259 -11.969) 14.460 19.845 ( 5.164 6.259 -11.969) 14.460 21.304 ( -2.835 -2.941 -5.769) 7.069 21.304 ( 2.835 -2.941 -5.769) 7.069 21.595 ( -2.373 -6.506 -9.911) 12.090 21.595 ( 2.373 -6.506 -9.911) 12.090 23.789 ( -1.996 0.126 6.994) 7.274 23.789 ( 1.996 0.126 6.994) 7.274 24.231 ( -3.436 2.613 -3.937) 5.842 24.231 ( 3.436 2.613 -3.937) 5.842 25.575 ( -4.209 14.149 9.519) 17.565 25.575 ( 4.209 14.149 9.519) 17.565 25.845 ( -1.499 12.073 9.159) 15.228 25.845 ( 1.499 12.073 9.159) 15.228 104.250 ( -1.248 -0.066 0.565) 1.372 104.250 ( 1.248 -0.066 0.565) 1.372 104.346 ( -2.228 -1.996 -0.392) 3.017 104.346 ( 2.228 -1.996 -0.392) 3.017 105.621 ( -0.409 -3.769 0.430) 3.815 105.621 ( 0.409 -3.769 0.430) 3.815 105.703 ( -1.713 -6.373 -0.754) 6.642 105.703 ( 1.713 -6.373 -0.754) 6.642 ======================= Grid point 175 (64/120) ======================= q-point: ( 0.00 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.977 ( 0.000 4.018 10.563) 11.302 2.056 ( 0.000 11.130 4.225) 11.905 2.596 ( 0.000 2.839 -4.746) 5.530 2.657 ( 0.000 -6.984 -2.876) 7.553 2.792 ( 0.000 10.996 3.442) 11.522 2.835 ( 0.000 14.248 3.391) 14.646 3.738 ( 0.000 5.681 -2.150) 6.074 3.784 ( 0.000 -6.010 -12.897) 14.229 3.794 ( 0.000 -0.533 -4.469) 4.500 3.930 ( 0.000 -4.357 -4.929) 6.579 4.148 ( 0.000 -1.955 -4.877) 5.254 4.250 ( 0.000 -4.607 -6.542) 8.001 4.557 ( 0.000 18.023 7.776) 19.629 4.718 ( 0.000 19.299 5.318) 20.018 4.838 ( 0.000 12.488 1.168) 12.543 4.995 ( 0.000 11.802 1.032) 11.847 5.162 ( 0.000 1.032 -0.630) 1.209 5.240 ( 0.000 -2.421 -2.252) 3.306 5.330 ( 0.000 -2.622 1.054) 2.825 5.346 ( 0.000 2.378 3.029) 3.851 5.587 ( 0.000 8.727 0.779) 8.762 5.633 ( 0.000 9.285 0.971) 9.335 5.664 ( 0.000 13.467 1.369) 13.536 5.804 ( 0.000 5.565 1.432) 5.747 8.226 ( 0.000 -1.591 0.114) 1.595 8.251 ( 0.000 -0.526 -2.027) 2.094 8.682 ( 0.000 -9.659 5.634) 11.182 8.695 ( 0.000 -10.585 8.542) 13.602 9.065 ( 0.000 10.221 -12.589) 16.216 9.090 ( 0.000 7.390 -11.563) 13.723 9.816 ( 0.000 -8.470 -9.143) 12.463 9.912 ( 0.000 -7.903 -8.037) 11.272 10.378 ( 0.000 10.390 1.273) 10.468 10.537 ( 0.000 9.861 0.568) 9.877 11.245 ( 0.000 -7.135 4.848) 8.626 11.356 ( 0.000 -8.012 -0.516) 8.028 11.684 ( 0.000 -0.539 3.297) 3.341 11.722 ( 0.000 -0.446 3.377) 3.407 11.970 ( 0.000 10.882 -6.480) 12.665 11.988 ( 0.000 10.937 -6.236) 12.590 12.327 ( 0.000 -10.208 2.980) 10.635 12.334 ( 0.000 -7.433 2.710) 7.912 13.123 ( 0.000 -9.260 -5.821) 10.938 13.146 ( 0.000 -9.224 -6.944) 11.546 13.710 ( 0.000 5.956 9.124) 10.896 13.712 ( 0.000 8.819 10.472) 13.691 14.023 ( 0.000 0.401 2.862) 2.890 14.032 ( 0.000 -1.518 2.221) 2.690 18.752 ( 0.000 16.385 9.067) 18.726 19.201 ( 0.000 9.898 9.040) 13.405 19.746 ( 0.000 -1.073 -6.391) 6.481 19.901 ( 0.000 -7.342 -0.647) 7.370 21.223 ( 0.000 0.881 -7.042) 7.097 21.406 ( 0.000 -2.458 -7.692) 8.075 21.434 ( 0.000 -0.632 -16.224) 16.237 21.523 ( 0.000 -2.997 -17.580) 17.834 23.763 ( 0.000 2.068 3.549) 4.108 23.908 ( 0.000 2.334 4.009) 4.639 24.113 ( 0.000 -1.729 -4.504) 4.824 24.294 ( 0.000 -3.337 -7.995) 8.663 25.803 ( 0.000 15.053 11.804) 19.129 25.946 ( 0.000 9.879 8.668) 13.143 26.000 ( 0.000 9.295 14.081) 16.873 26.115 ( 0.000 9.356 11.149) 14.554 104.232 ( 0.000 0.339 0.299) 0.452 104.248 ( 0.000 -0.351 -0.045) 0.354 104.286 ( 0.000 -0.605 0.546) 0.815 104.352 ( 0.000 -2.100 -0.692) 2.211 105.542 ( 0.000 -2.905 0.277) 2.919 105.565 ( 0.000 -2.951 -0.159) 2.955 105.578 ( 0.000 -3.082 0.227) 3.091 105.601 ( 0.000 -5.382 -0.263) 5.388 ======================= Grid point 176 (65/120) ======================= q-point: ( 0.25 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.989 ( 1.129 5.352 9.502) 10.964 2.045 ( -1.051 10.316 5.031) 11.525 2.606 ( 0.988 1.184 -4.275) 4.544 2.651 ( -0.658 -5.867 -3.042) 6.642 2.798 ( 0.601 11.540 3.334) 12.027 2.828 ( -0.590 13.845 3.271) 14.238 3.741 ( 0.346 4.296 -3.409) 5.495 3.766 ( -0.918 -1.395 -8.049) 8.221 3.822 ( 1.892 -3.750 -7.730) 8.797 3.910 ( -1.832 -4.156 -5.429) 7.078 4.167 ( 1.704 -2.432 -5.003) 5.818 4.238 ( -1.165 -4.264 -6.236) 7.644 4.587 ( 2.772 18.432 7.588) 20.125 4.704 ( -1.557 19.864 6.136) 20.848 4.849 ( 1.260 11.528 0.667) 11.615 4.959 ( -3.056 11.145 0.742) 11.580 5.188 ( 2.223 1.432 -0.319) 2.663 5.245 ( 0.366 -1.961 -2.147) 2.931 5.321 ( -0.755 -2.558 1.055) 2.868 5.327 ( -1.569 1.043 3.000) 3.543 5.601 ( 1.443 9.961 0.770) 10.094 5.654 ( 1.662 8.536 1.527) 8.829 5.659 ( -0.385 13.365 0.509) 13.381 5.773 ( -2.835 6.200 1.277) 6.936 8.235 ( 0.688 -1.363 -0.015) 1.527 8.252 ( -0.013 -0.596 -1.517) 1.630 8.680 ( -0.058 -9.813 6.051) 11.529 8.691 ( -0.362 -10.428 7.941) 13.112 9.067 ( 0.207 9.766 -12.391) 15.778 9.085 ( -0.486 7.765 -11.655) 14.014 9.831 ( 1.389 -8.432 -9.026) 12.430 9.898 ( -1.271 -8.050 -8.250) 11.596 10.401 ( 2.234 10.341 1.112) 10.637 10.514 ( -2.158 9.962 0.600) 10.211 11.258 ( 1.296 -7.394 4.308) 8.655 11.335 ( -1.820 -8.043 0.647) 8.272 11.691 ( 0.629 -0.417 3.161) 3.250 11.716 ( -0.495 -0.293 3.346) 3.395 11.973 ( 0.226 10.867 -6.523) 12.676 11.985 ( -0.233 11.085 -6.541) 12.873 12.331 ( 0.322 -9.806 2.890) 10.228 12.337 ( 0.162 -8.048 2.765) 8.512 13.126 ( 0.318 -9.222 -5.948) 10.979 13.143 ( -0.317 -9.224 -6.712) 11.412 13.711 ( 0.059 6.393 9.343) 11.321 13.712 ( 0.013 8.410 10.291) 13.290 14.025 ( 0.115 0.103 2.778) 2.782 14.031 ( -0.123 -1.255 2.323) 2.643 18.807 ( 5.353 15.559 8.702) 18.613 19.119 ( -7.233 11.053 8.265) 15.582 19.786 ( 3.236 -2.246 -4.794) 6.205 19.889 ( -1.221 -6.591 -1.133) 6.798 21.237 ( 1.477 0.816 -7.457) 7.646 21.348 ( -3.538 -0.537 -9.551) 10.200 21.475 ( 2.060 -2.343 -14.419) 14.753 21.520 ( -0.357 -2.964 -17.024) 17.284 23.776 ( 1.307 2.289 3.552) 4.423 23.872 ( -2.838 2.493 3.671) 5.268 24.154 ( 3.333 -2.100 -4.803) 6.212 24.275 ( -1.823 -3.206 -7.464) 8.325 25.819 ( 1.553 14.425 11.839) 18.726 25.912 ( -2.472 11.004 10.752) 15.582 26.028 ( 2.027 8.971 12.067) 15.173 26.102 ( -1.247 9.250 11.125) 14.522 104.235 ( 0.480 0.291 0.363) 0.669 104.260 ( 0.481 -0.240 -0.168) 0.563 104.284 ( 0.285 -0.887 0.478) 1.048 104.340 ( -1.145 -1.961 -0.596) 2.348 105.545 ( 0.275 -2.870 0.252) 2.894 105.561 ( -0.363 -2.825 0.020) 2.848 105.583 ( 0.386 -3.558 0.034) 3.579 105.598 ( -0.249 -5.107 -0.236) 5.118 ======================= Grid point 177 (66/120) ======================= q-point: (-0.50 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.018 ( -1.530 8.096 7.138) 10.901 2.018 ( 1.530 8.096 7.138) 10.901 2.631 ( -1.271 -2.573 -3.491) 4.519 2.631 ( 1.271 -2.573 -3.491) 4.519 2.813 ( -0.835 12.721 3.175) 13.138 2.813 ( 0.835 12.721 3.175) 13.138 3.751 ( -0.607 1.546 -5.763) 5.997 3.751 ( 0.607 1.546 -5.763) 5.997 3.866 ( -2.340 -3.956 -6.616) 8.056 3.866 ( 2.340 -3.956 -6.616) 8.056 4.206 ( -1.906 -3.404 -5.548) 6.782 4.206 ( 1.906 -3.404 -5.548) 6.782 4.653 ( -3.314 19.472 7.079) 20.982 4.653 ( 3.314 19.472 7.079) 20.982 4.893 ( -3.039 10.854 0.469) 11.281 4.893 ( 3.039 10.854 0.469) 11.281 5.234 ( -1.832 0.666 -0.850) 2.127 5.234 ( 1.832 0.666 -0.850) 2.127 5.308 ( -0.167 -1.969 1.740) 2.634 5.308 ( 0.167 -1.969 1.740) 2.634 5.636 ( -1.617 11.744 0.992) 11.896 5.636 ( 1.617 11.744 0.992) 11.896 5.707 ( -3.259 7.714 0.854) 8.417 5.707 ( 3.259 7.714 0.854) 8.417 8.247 ( -0.453 -0.898 -0.574) 1.158 8.247 ( 0.453 -0.898 -0.574) 1.158 8.683 ( -0.334 -10.121 6.901) 12.254 8.683 ( 0.334 -10.121 6.901) 12.255 9.074 ( -0.486 8.727 -11.968) 14.819 9.074 ( 0.486 8.727 -11.968) 14.819 9.865 ( -1.873 -8.293 -8.685) 12.154 9.865 ( 1.873 -8.293 -8.685) 12.154 10.458 ( -3.118 10.174 0.790) 10.670 10.458 ( 3.118 10.174 0.790) 10.670 11.293 ( -2.105 -7.866 2.763) 8.598 11.293 ( 2.105 -7.866 2.763) 8.598 11.704 ( -0.633 -0.202 3.194) 3.262 11.704 ( 0.633 -0.202 3.194) 3.262 11.979 ( -0.350 11.027 -6.702) 12.909 11.979 ( 0.350 11.027 -6.702) 12.909 12.337 ( -0.190 -9.031 2.808) 9.459 12.337 ( 0.190 -9.031 2.808) 9.459 13.134 ( -0.482 -9.204 -6.277) 11.151 13.134 ( 0.482 -9.204 -6.277) 11.151 13.712 ( -0.032 7.415 9.836) 12.318 13.712 ( 0.032 7.415 9.836) 12.318 14.028 ( -0.168 -0.593 2.559) 2.632 14.028 ( 0.168 -0.593 2.559) 2.632 18.952 ( -8.454 13.447 8.079) 17.820 18.952 ( 8.454 13.447 8.079) 17.820 19.850 ( -2.701 -4.605 -2.573) 5.927 19.850 ( 2.701 -4.605 -2.573) 5.927 21.282 ( -2.884 0.439 -8.480) 8.968 21.282 ( 2.884 0.439 -8.480) 8.968 21.507 ( -1.061 -2.864 -15.702) 15.996 21.507 ( 1.061 -2.864 -15.702) 15.996 23.815 ( -2.535 2.580 3.549) 5.068 23.815 ( 2.535 2.580 3.549) 5.068 24.223 ( -3.229 -2.772 -6.123) 7.456 24.223 ( 3.229 -2.772 -6.123) 7.456 25.861 ( -2.472 12.840 11.690) 17.539 25.861 ( 2.472 12.840 11.690) 17.539 26.069 ( -1.944 9.019 11.242) 14.543 26.069 ( 1.944 9.019 11.242) 14.543 104.251 ( -0.905 0.119 0.299) 0.961 104.251 ( 0.905 0.119 0.299) 0.961 104.310 ( -1.704 -1.558 -0.276) 2.325 104.310 ( 1.704 -1.558 -0.276) 2.325 105.553 ( -0.419 -2.806 0.174) 2.842 105.553 ( 0.419 -2.806 0.174) 2.842 105.591 ( -0.417 -4.393 -0.144) 4.415 105.591 ( 0.417 -4.393 -0.144) 4.415 ======================= Grid point 180 (67/120) ======================= q-point: ( 0.00 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 174 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.088 ( 0.000 6.823 8.697) 11.054 2.252 ( 0.000 7.906 2.209) 8.209 2.472 ( 0.000 -9.725 0.969) 9.773 2.533 ( 0.000 -5.261 -1.197) 5.396 3.107 ( 0.000 15.645 -1.523) 15.719 3.138 ( 0.000 14.225 -1.197) 14.275 3.628 ( 0.000 -9.045 -9.162) 12.875 3.654 ( 0.000 -9.872 -9.576) 13.754 3.886 ( 0.000 6.766 -2.234) 7.126 3.926 ( 0.000 2.664 -1.080) 2.875 4.087 ( 0.000 -3.834 -4.260) 5.731 4.140 ( 0.000 -5.631 -5.850) 8.120 4.887 ( 0.000 13.179 6.441) 14.669 4.968 ( 0.000 6.979 0.667) 7.011 5.089 ( 0.000 8.416 2.378) 8.746 5.157 ( 0.000 2.971 -0.381) 2.996 5.182 ( 0.000 1.964 1.445) 2.438 5.184 ( 0.000 -2.363 -0.752) 2.480 5.304 ( 0.000 0.817 3.130) 3.235 5.328 ( 0.000 -2.489 3.940) 4.661 5.757 ( 0.000 6.149 0.246) 6.154 5.784 ( 0.000 4.893 0.274) 4.900 5.887 ( 0.000 7.364 0.602) 7.389 5.917 ( 0.000 4.570 1.073) 4.694 8.228 ( 0.000 1.880 3.864) 4.297 8.263 ( 0.000 1.695 2.592) 3.097 8.493 ( 0.000 -8.177 7.299) 10.961 8.501 ( 0.000 -7.844 9.068) 11.990 9.267 ( 0.000 9.146 -13.945) 16.677 9.296 ( 0.000 11.515 -14.169) 18.258 9.640 ( 0.000 -8.561 -12.810) 15.407 9.735 ( 0.000 -9.189 -12.248) 15.311 10.608 ( 0.000 11.793 3.019) 12.173 10.730 ( 0.000 8.738 3.168) 9.295 11.084 ( 0.000 -8.036 6.548) 10.366 11.136 ( 0.000 -12.140 3.589) 12.660 11.716 ( 0.000 3.641 1.060) 3.792 11.749 ( 0.000 3.094 0.916) 3.227 12.025 ( 0.000 -6.453 3.946) 7.564 12.041 ( 0.000 -8.802 4.077) 9.701 12.318 ( 0.000 12.356 -10.677) 16.330 12.363 ( 0.000 11.308 -9.591) 14.827 12.890 ( 0.000 -12.771 -8.931) 15.584 12.916 ( 0.000 -12.537 -8.982) 15.423 13.835 ( 0.000 5.642 8.942) 10.573 13.876 ( 0.000 6.483 10.441) 12.290 14.000 ( 0.000 -1.811 4.762) 5.095 14.026 ( 0.000 -0.558 6.174) 6.199 19.086 ( 0.000 15.862 9.036) 18.255 19.387 ( 0.000 8.238 8.771) 12.033 19.657 ( 0.000 -8.103 1.755) 8.291 19.706 ( 0.000 -9.587 4.532) 10.605 21.271 ( 0.000 3.406 -10.675) 11.205 21.386 ( 0.000 0.264 -10.603) 10.606 21.399 ( 0.000 -2.099 -15.635) 15.775 21.474 ( 0.000 -2.773 -17.495) 17.714 23.842 ( 0.000 5.199 -0.107) 5.200 23.970 ( 0.000 3.823 -0.412) 3.846 24.054 ( 0.000 -3.857 -4.019) 5.570 24.193 ( 0.000 -5.931 -7.572) 9.618 26.072 ( 0.000 10.422 12.201) 16.046 26.111 ( 0.000 5.870 10.788) 12.281 26.148 ( 0.000 4.893 13.877) 14.714 26.247 ( 0.000 3.042 11.923) 12.305 104.237 ( 0.000 0.149 0.338) 0.370 104.242 ( 0.000 -0.208 0.104) 0.233 104.281 ( 0.000 0.095 -0.065) 0.115 104.314 ( 0.000 -1.506 -0.582) 1.614 105.495 ( 0.000 -1.585 0.217) 1.600 105.508 ( 0.000 -2.396 -0.090) 2.397 105.528 ( 0.000 -1.782 0.121) 1.786 105.529 ( 0.000 -1.643 0.065) 1.644 ======================= Grid point 181 (68/120) ======================= q-point: ( 0.25 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.116 ( 2.545 7.014 7.632) 10.673 2.232 ( -1.985 7.890 3.046) 8.687 2.479 ( 0.665 -9.267 0.674) 9.316 2.522 ( -0.980 -6.006 -0.869) 6.147 3.112 ( 0.468 15.413 -1.492) 15.492 3.134 ( -0.382 14.421 -1.257) 14.481 3.633 ( 0.400 -9.205 -9.251) 13.056 3.651 ( -0.304 -9.799 -9.544) 13.682 3.890 ( 0.427 6.314 -2.079) 6.662 3.918 ( -0.708 3.407 -1.298) 3.714 4.098 ( 1.008 -4.106 -4.398) 6.101 4.135 ( -0.484 -5.360 -5.566) 7.742 4.917 ( 2.749 12.815 5.921) 14.382 4.983 ( 1.155 7.506 0.956) 7.654 5.071 ( -1.462 8.348 2.531) 8.845 5.122 ( -2.695 4.920 0.916) 5.684 5.190 ( 0.756 -1.995 -0.336) 2.159 5.204 ( 1.080 -0.261 0.100) 1.116 5.286 ( -1.305 -0.439 2.991) 3.292 5.312 ( -1.479 -1.758 3.584) 4.257 5.778 ( 2.041 6.279 0.410) 6.615 5.805 ( 1.843 5.119 0.355) 5.452 5.875 ( -1.232 7.056 0.509) 7.181 5.896 ( -1.909 4.879 0.938) 5.322 8.240 ( 0.988 2.003 4.012) 4.592 8.264 ( 0.039 1.946 3.161) 3.712 8.489 ( -0.268 -8.331 7.412) 11.154 8.496 ( -0.454 -8.105 8.559) 11.796 9.270 ( 0.296 9.552 -14.008) 16.957 9.291 ( -0.502 11.225 -14.179) 18.092 9.654 ( 1.317 -8.695 -12.791) 15.522 9.721 ( -1.318 -9.129 -12.392) 15.448 10.627 ( 1.714 11.357 2.920) 11.851 10.713 ( -1.617 9.230 2.993) 9.837 11.088 ( 0.395 -8.667 6.329) 10.739 11.123 ( -1.085 -11.562 4.308) 12.386 11.725 ( 0.763 3.693 0.890) 3.874 11.747 ( -0.207 3.349 0.824) 3.455 12.027 ( 0.205 -6.904 3.988) 7.975 12.039 ( -0.205 -8.563 4.010) 9.458 12.324 ( 0.614 12.095 -10.517) 16.040 12.356 ( -0.604 11.337 -9.744) 14.961 12.893 ( 0.341 -12.764 -8.917) 15.574 12.912 ( -0.391 -12.602 -8.952) 15.463 13.843 ( 0.662 5.843 9.214) 10.931 13.871 ( -0.432 6.487 10.314) 12.192 14.003 ( 0.301 -1.730 4.905) 5.210 14.021 ( -0.405 -0.793 5.943) 6.010 19.125 ( 3.651 15.005 8.849) 17.799 19.333 ( -4.752 9.763 8.465) 13.768 19.673 ( 1.254 -8.906 2.509) 9.338 19.706 ( -0.139 -9.484 4.263) 10.399 21.282 ( 1.131 3.219 -10.712) 11.242 21.355 ( -1.997 1.199 -11.279) 11.517 21.423 ( 1.349 -2.640 -15.227) 15.513 21.467 ( -0.640 -2.924 -17.083) 17.343 23.857 ( 1.445 5.238 -0.204) 5.438 23.943 ( -2.182 4.289 -0.584) 4.848 24.084 ( 2.414 -4.387 -4.398) 6.664 24.177 ( -1.519 -5.826 -7.059) 9.277 26.076 ( 0.379 9.874 12.295) 15.774 26.102 ( -0.719 7.086 11.847) 13.823 26.166 ( 1.503 4.124 12.762) 13.496 26.234 ( -1.253 3.150 11.933) 12.406 104.241 ( 0.488 0.252 0.266) 0.611 104.254 ( 0.941 -0.353 -0.044) 1.006 104.274 ( -0.528 -0.001 0.042) 0.530 104.305 ( -0.874 -1.389 -0.477) 1.709 105.499 ( 0.376 -1.527 0.187) 1.583 105.510 ( 0.134 -2.094 -0.082) 2.100 105.524 ( -0.297 -1.877 0.152) 1.906 105.527 ( -0.198 -1.919 0.054) 1.930 ======================= Grid point 182 (69/120) ======================= q-point: (-0.50 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.177 ( -3.218 7.513 5.228) 9.702 2.177 ( 3.218 7.513 5.228) 9.702 2.498 ( -1.197 -7.753 -0.084) 7.845 2.498 ( 1.197 -7.753 -0.084) 7.845 3.123 ( -0.604 14.901 -1.389) 14.977 3.123 ( 0.604 14.901 -1.389) 14.977 3.642 ( -0.502 -9.545 -9.425) 13.424 3.642 ( 0.502 -9.545 -9.425) 13.424 3.902 ( -0.747 5.001 -1.710) 5.338 3.902 ( 0.747 5.001 -1.710) 5.338 4.120 ( -0.989 -4.729 -4.917) 6.893 4.120 ( 0.989 -4.729 -4.917) 6.893 4.978 ( -2.457 11.275 3.907) 12.183 4.978 ( 2.457 11.275 3.907) 12.183 5.067 ( -1.976 6.065 1.498) 6.552 5.067 ( 1.976 6.065 1.498) 6.552 5.208 ( -0.771 -1.775 -0.288) 1.956 5.208 ( 0.771 -1.775 -0.288) 1.956 5.281 ( -1.100 -1.165 3.111) 3.500 5.281 ( 1.100 -1.165 3.111) 3.500 5.828 ( -2.050 6.483 0.829) 6.849 5.828 ( 2.050 6.483 0.829) 6.849 5.854 ( -1.604 5.360 0.287) 5.603 5.854 ( 1.604 5.360 0.287) 5.603 8.259 ( -0.690 2.188 3.963) 4.579 8.259 ( 0.690 2.188 3.963) 4.579 8.488 ( -0.260 -8.452 7.770) 11.484 8.488 ( 0.260 -8.452 7.770) 11.484 9.279 ( -0.576 10.447 -14.130) 17.582 9.279 ( 0.576 10.447 -14.130) 17.582 9.687 ( -1.854 -8.950 -12.655) 15.610 9.687 ( 1.854 -8.950 -12.655) 15.610 10.670 ( -2.394 10.319 2.819) 10.962 10.670 ( 2.394 10.319 2.819) 10.962 11.101 ( -0.950 -10.146 5.561) 11.609 11.101 ( 0.950 -10.146 5.561) 11.609 11.740 ( -0.587 3.687 0.738) 3.806 11.740 ( 0.587 3.687 0.738) 3.806 12.033 ( -0.357 -7.844 3.983) 8.804 12.033 ( 0.357 -7.844 3.983) 8.804 12.340 ( -0.888 11.600 -10.127) 15.424 12.340 ( 0.888 11.600 -10.127) 15.424 12.902 ( -0.525 -12.712 -8.913) 15.534 12.902 ( 0.525 -12.712 -8.913) 15.534 13.858 ( -0.800 6.259 9.829) 11.680 13.858 ( 0.800 6.259 9.829) 11.680 14.011 ( -0.522 -1.330 5.388) 5.575 14.011 ( 0.522 -1.330 5.388) 5.575 19.222 ( -5.678 12.678 8.492) 16.281 19.222 ( 5.678 12.678 8.492) 16.281 19.696 ( -0.871 -9.504 3.547) 10.182 19.696 ( 0.871 -9.504 3.547) 10.182 21.314 ( -1.926 2.525 -10.867) 11.321 21.314 ( 1.926 2.525 -10.867) 11.321 21.449 ( -1.160 -3.070 -16.229) 16.558 21.449 ( 1.160 -3.070 -16.229) 16.558 23.896 ( -2.276 5.057 -0.437) 5.563 23.896 ( 2.276 5.057 -0.437) 5.563 24.135 ( -2.482 -5.359 -5.752) 8.244 24.135 ( 2.482 -5.359 -5.752) 8.244 26.087 ( -0.682 8.646 12.358) 15.097 26.087 ( 0.682 8.646 12.358) 15.097 26.201 ( -1.833 3.475 12.085) 12.708 26.201 ( 1.833 3.475 12.085) 12.708 104.255 ( -0.796 0.321 0.073) 0.861 104.255 ( 0.796 0.321 0.073) 0.861 104.282 ( -1.234 -1.077 -0.183) 1.648 104.282 ( 1.234 -1.077 -0.183) 1.648 105.508 ( -0.411 -1.431 0.075) 1.490 105.508 ( 0.411 -1.431 0.075) 1.490 105.522 ( -0.203 -2.283 0.079) 2.293 105.522 ( 0.203 -2.283 0.079) 2.293 ======================= Grid point 185 (70/120) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( 0.000 -8.914 4.836) 10.141 2.256 ( 0.000 8.914 4.836) 10.141 2.413 ( 0.000 -5.961 0.777) 6.011 2.413 ( 0.000 5.961 0.777) 6.011 3.388 ( 0.000 -4.036 -5.407) 6.747 3.388 ( 0.000 4.035 -5.407) 6.747 3.432 ( 0.000 -3.963 -5.112) 6.468 3.432 ( 0.000 3.963 -5.112) 6.468 3.999 ( 0.000 -4.253 -3.658) 5.610 3.999 ( 0.000 4.253 -3.658) 5.610 4.021 ( 0.000 -5.984 -3.805) 7.091 4.021 ( 0.000 5.984 -3.805) 7.091 5.050 ( 0.000 -0.422 2.364) 2.401 5.050 ( 0.000 0.422 2.364) 2.401 5.155 ( 0.000 -0.922 -0.079) 0.925 5.155 ( 0.000 0.922 -0.079) 0.925 5.183 ( 0.000 -2.743 1.892) 3.332 5.183 ( 0.000 2.743 1.892) 3.332 5.316 ( 0.000 -0.929 4.029) 4.135 5.316 ( 0.000 0.929 4.029) 4.135 5.828 ( 0.000 -0.670 -0.008) 0.670 5.828 ( 0.000 0.670 -0.008) 0.670 5.966 ( 0.000 -0.394 0.846) 0.933 5.966 ( 0.000 0.394 0.846) 0.933 8.287 ( 0.000 -1.887 4.755) 5.116 8.287 ( 0.000 1.887 4.755) 5.116 8.390 ( 0.000 -1.072 8.483) 8.550 8.390 ( 0.000 1.072 8.483) 8.550 9.455 ( 0.000 -8.445 -14.342) 16.644 9.455 ( 0.000 8.445 -14.342) 16.644 9.531 ( 0.000 -10.095 -14.291) 17.496 9.531 ( 0.000 10.095 -14.291) 17.496 10.848 ( 0.000 -7.518 5.624) 9.389 10.848 ( 0.000 7.518 5.624) 9.389 10.932 ( 0.000 -3.026 3.613) 4.713 10.932 ( 0.000 3.026 3.613) 4.713 11.813 ( 0.000 -2.158 3.159) 3.826 11.813 ( 0.000 2.158 3.159) 3.826 11.895 ( 0.000 -1.083 1.504) 1.853 11.895 ( 0.000 1.083 1.504) 1.853 12.606 ( 0.000 -13.475 -10.106) 16.844 12.606 ( 0.000 13.475 -10.106) 16.844 12.640 ( 0.000 -13.139 -10.338) 16.718 12.640 ( 0.000 13.139 -10.338) 16.718 13.930 ( 0.000 -2.941 7.155) 7.736 13.930 ( 0.000 2.941 7.155) 7.736 13.991 ( 0.000 -2.535 8.780) 9.138 13.991 ( 0.000 2.535 8.780) 9.138 19.402 ( 0.000 -14.440 7.070) 16.078 19.402 ( 0.000 14.440 7.070) 16.078 19.547 ( 0.000 -7.331 6.979) 10.122 19.547 ( 0.000 7.331 6.979) 10.122 21.346 ( 0.000 -3.313 -14.256) 14.636 21.346 ( 0.000 3.313 -14.256) 14.636 21.413 ( 0.000 -2.421 -13.443) 13.660 21.413 ( 0.000 2.421 -13.443) 13.660 23.957 ( 0.000 -5.387 -2.470) 5.926 23.957 ( 0.000 5.387 -2.470) 5.926 24.068 ( 0.000 -5.622 -4.895) 7.454 24.068 ( 0.000 5.622 -4.895) 7.455 26.180 ( 0.000 -0.430 12.486) 12.493 26.180 ( 0.000 0.430 12.486) 12.493 26.237 ( 0.000 -3.809 12.275) 12.853 26.237 ( 0.000 3.809 12.275) 12.853 104.239 ( 0.000 -0.093 0.251) 0.268 104.239 ( 0.000 0.093 0.251) 0.268 104.290 ( 0.000 -0.812 -0.408) 0.909 104.290 ( 0.000 0.812 -0.408) 0.909 105.480 ( 0.000 -0.261 0.129) 0.291 105.480 ( 0.000 0.261 0.129) 0.291 105.511 ( 0.000 -0.047 0.055) 0.072 105.511 ( 0.000 0.047 0.055) 0.072 ======================= Grid point 187 (71/120) ======================= q-point: ( 0.25 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.280 ( 2.194 -8.366 4.196) 9.613 2.280 ( 2.194 8.366 4.196) 9.613 2.390 ( -2.136 -6.284 1.331) 6.769 2.390 ( -2.136 6.284 1.331) 6.769 3.395 ( 0.607 -4.079 -5.379) 6.778 3.395 ( 0.607 4.079 -5.379) 6.778 3.426 ( -0.614 -4.025 -5.169) 6.580 3.426 ( -0.614 4.025 -5.169) 6.580 4.004 ( 0.453 -4.641 -3.672) 5.935 4.004 ( 0.453 4.641 -3.672) 5.935 4.020 ( -0.157 -5.822 -3.785) 6.947 4.020 ( -0.157 5.822 -3.785) 6.947 5.069 ( 1.795 -0.507 1.913) 2.672 5.069 ( 1.795 0.507 1.913) 2.672 5.145 ( -1.134 -1.639 0.105) 1.996 5.145 ( -1.134 1.639 0.105) 1.996 5.192 ( 1.119 -2.825 2.227) 3.767 5.192 ( 1.119 2.825 2.227) 3.767 5.288 ( -2.522 -1.687 3.838) 4.893 5.288 ( -2.522 1.687 3.838) 4.893 5.851 ( 2.167 -0.684 0.151) 2.277 5.851 ( 2.167 0.684 0.151) 2.277 5.949 ( -1.638 -0.250 0.761) 1.823 5.949 ( -1.638 0.250 0.761) 1.823 8.303 ( 1.490 -1.746 5.391) 5.859 8.303 ( 1.490 1.746 5.391) 5.859 8.376 ( -1.365 -1.200 8.022) 8.225 8.376 ( -1.365 1.200 8.022) 8.225 9.466 ( 1.009 -8.710 -14.408) 16.866 9.466 ( 1.009 8.710 -14.408) 16.866 9.520 ( -1.088 -9.871 -14.371) 17.468 9.520 ( -1.088 9.871 -14.371) 17.468 10.858 ( 1.012 -6.945 5.368) 8.836 10.858 ( 1.012 6.946 5.368) 8.837 10.917 ( -1.304 -3.786 3.952) 5.626 10.917 ( -1.304 3.786 3.952) 5.626 11.827 ( 1.276 -1.886 2.888) 3.678 11.827 ( 1.276 1.886 2.888) 3.678 11.885 ( -1.010 -1.153 1.725) 2.307 11.885 ( -1.010 1.153 1.725) 2.307 12.610 ( 0.421 -13.442 -10.160) 16.855 12.610 ( 0.421 13.442 -10.160) 16.855 12.634 ( -0.523 -13.200 -10.322) 16.765 12.634 ( -0.523 13.200 -10.322) 16.765 13.939 ( 0.892 -2.878 7.409) 7.998 13.939 ( 0.892 2.878 7.409) 7.998 13.983 ( -0.806 -2.590 8.556) 8.976 13.983 ( -0.806 2.590 8.556) 8.976 19.424 ( 1.998 -13.659 7.050) 15.500 19.424 ( 1.998 13.659 7.050) 15.500 19.526 ( -1.996 -8.781 6.983) 11.396 19.526 ( -1.996 8.781 6.983) 11.396 21.355 ( 0.904 -3.258 -14.095) 14.494 21.355 ( 0.904 3.258 -14.095) 14.494 21.403 ( -0.968 -2.648 -13.520) 13.811 21.403 ( -0.968 2.648 -13.520) 13.811 23.974 ( 1.595 -5.447 -2.863) 6.357 23.974 ( 1.595 5.447 -2.863) 6.357 24.053 ( -1.482 -5.610 -4.576) 7.389 24.053 ( -1.482 5.610 -4.576) 7.389 26.188 ( 0.770 -1.386 12.463) 12.563 26.188 ( 0.770 1.386 12.463) 12.563 26.228 ( -0.814 -3.470 12.314) 12.819 26.228 ( -0.814 3.470 12.314) 12.819 104.247 ( 0.706 -0.333 0.154) 0.796 104.247 ( 0.706 0.333 0.154) 0.796 104.283 ( -0.699 -0.757 -0.312) 1.077 104.283 ( -0.699 0.757 -0.312) 1.077 105.485 ( 0.428 -0.237 0.118) 0.503 105.485 ( 0.428 0.237 0.118) 0.503 105.507 ( -0.424 -0.092 0.065) 0.439 105.507 ( -0.424 0.092 0.065) 0.439 ======================= Grid point 189 (72/120) ======================= q-point: (-0.50 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.335 ( -2.892 -7.788 2.721) 8.742 2.335 ( 2.706 -7.771 2.721) 8.667 2.335 ( -2.706 7.771 2.721) 8.667 2.335 ( 2.892 7.788 2.721) 8.742 3.410 ( -0.307 -12.648 -5.289) 13.713 3.410 ( 0.254 -12.648 -5.289) 13.711 3.410 ( -0.254 12.648 -5.289) 13.711 3.410 ( 0.307 12.648 -5.289) 13.713 4.014 ( -0.416 -5.424 -3.725) 6.593 4.014 ( 0.414 -5.424 -3.725) 6.593 4.014 ( -0.414 5.424 -3.725) 6.593 4.014 ( 0.416 5.424 -3.725) 6.593 5.111 ( -1.598 -2.463 0.830) 3.051 5.111 ( 0.423 -2.340 0.830) 2.519 5.111 ( -0.423 2.340 0.830) 2.519 5.111 ( 1.598 2.463 0.830) 3.051 5.231 ( -2.260 -3.602 3.150) 5.292 5.231 ( 1.267 -3.478 3.150) 4.860 5.231 ( -1.267 3.478 3.150) 4.860 5.231 ( 2.260 3.602 3.150) 5.292 5.903 ( -2.590 -0.603 0.492) 2.705 5.903 ( -2.307 0.130 0.492) 2.363 5.903 ( 2.307 -0.130 0.492) 2.363 5.903 ( 2.590 0.603 0.492) 2.705 8.340 ( -0.837 -5.567 6.794) 8.824 8.340 ( 0.167 -5.552 6.794) 8.776 8.340 ( -0.167 5.552 6.794) 8.776 8.340 ( 0.837 5.567 6.794) 8.824 9.492 ( -1.408 -9.929 -14.462) 17.599 9.492 ( 1.381 -9.928 -14.462) 17.596 9.492 ( -1.381 9.928 -14.462) 17.596 9.492 ( 1.408 9.929 -14.462) 17.599 10.886 ( -0.935 -10.456 4.700) 11.502 10.886 ( 0.750 -10.452 4.700) 11.485 10.886 ( -0.750 10.452 4.700) 11.485 10.886 ( 0.935 10.456 4.700) 11.502 11.857 ( -0.456 -7.531 2.283) 7.883 11.857 ( 0.133 -7.528 2.283) 7.868 11.857 ( -0.133 7.528 2.283) 7.868 11.857 ( 0.456 7.531 2.283) 7.883 12.622 ( -0.641 -14.097 -10.260) 17.447 12.622 ( 0.638 -14.097 -10.260) 17.447 12.622 ( -0.637 14.097 -10.260) 17.447 12.622 ( 0.641 14.097 -10.260) 17.447 13.962 ( -0.971 -3.619 7.997) 8.832 13.962 ( 0.795 -3.608 7.997) 8.810 13.962 ( -0.795 3.608 7.997) 8.810 13.962 ( 0.971 3.619 7.997) 8.832 19.475 ( -2.807 -11.602 7.009) 13.842 19.475 ( 2.797 -11.601 7.009) 13.839 19.475 ( -2.797 11.601 7.009) 13.839 19.475 ( 2.807 11.602 7.009) 13.842 21.379 ( -1.197 -3.486 -13.765) 14.250 21.379 ( 1.067 -3.475 -13.765) 14.237 21.379 ( -1.067 3.475 -13.765) 14.237 21.379 ( 1.197 3.486 -13.765) 14.250 24.014 ( -2.040 -6.054 -3.756) 7.411 24.014 ( 1.907 -6.043 -3.756) 7.366 24.014 ( -1.907 6.043 -3.756) 7.366 24.014 ( 2.040 6.054 -3.756) 7.411 26.208 ( -1.047 -2.830 12.396) 12.758 26.208 ( 0.963 -2.822 12.396) 12.750 26.208 ( -0.963 2.822 12.396) 12.750 26.208 ( 1.047 2.830 12.396) 12.758 104.265 ( -0.970 -0.629 -0.080) 1.159 104.265 ( 0.363 -0.440 -0.080) 0.576 104.265 ( -0.363 0.440 -0.080) 0.576 104.265 ( 0.970 0.629 -0.080) 1.159 105.496 ( -0.527 -0.275 0.091) 0.602 105.496 ( -0.269 -0.156 0.091) 0.324 105.496 ( 0.269 0.156 0.091) 0.324 105.496 ( 0.527 0.275 0.091) 0.602 ======================= Grid point 225 (73/120) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.215 ( 0.000 0.000 17.314) 17.314 1.701 ( 0.000 0.000 -5.389) 5.389 1.745 ( 0.000 0.000 24.415) 24.415 1.988 ( 0.000 0.000 18.278) 18.278 2.130 ( 0.000 0.000 4.098) 4.098 2.215 ( 0.000 0.000 1.781) 1.781 2.592 ( 0.000 0.000 -15.254) 15.254 2.628 ( 0.000 0.000 -10.665) 10.665 3.208 ( 0.000 0.000 20.358) 20.358 3.405 ( 0.000 0.000 19.103) 19.103 3.484 ( 0.000 0.000 3.078) 3.078 3.660 ( 0.000 0.000 -4.730) 4.730 3.737 ( 0.000 0.000 3.995) 3.995 3.891 ( 0.000 0.000 -3.127) 3.127 3.988 ( 0.000 0.000 10.932) 10.932 4.133 ( 0.000 0.000 5.515) 5.515 4.205 ( 0.000 0.000 -16.046) 16.046 4.351 ( 0.000 0.000 -8.267) 8.267 4.361 ( 0.000 0.000 -16.446) 16.446 4.499 ( 0.000 0.000 -11.315) 11.315 5.611 ( 0.000 0.000 -1.092) 1.092 5.711 ( 0.000 0.000 -5.192) 5.192 6.053 ( 0.000 0.000 -3.475) 3.475 6.054 ( 0.000 0.000 -2.415) 2.415 7.961 ( 0.000 0.000 0.863) 0.863 7.961 ( 0.000 0.000 0.817) 0.817 9.285 ( 0.000 0.000 -4.273) 4.273 9.298 ( 0.000 0.000 -4.819) 4.819 9.508 ( 0.000 0.000 0.268) 0.268 9.587 ( 0.000 0.000 -1.936) 1.936 9.934 ( 0.000 0.000 1.199) 1.199 9.949 ( 0.000 0.000 0.488) 0.488 10.372 ( 0.000 0.000 10.682) 10.682 10.573 ( 0.000 0.000 1.152) 1.152 11.125 ( 0.000 0.000 5.590) 5.590 11.216 ( 0.000 0.000 1.700) 1.700 11.365 ( 0.000 0.000 1.502) 1.502 11.368 ( 0.000 0.000 1.340) 1.340 11.540 ( 0.000 0.000 -1.115) 1.115 11.659 ( 0.000 0.000 -9.474) 9.474 12.819 ( 0.000 0.000 3.184) 3.184 12.971 ( 0.000 0.000 -2.433) 2.433 12.987 ( 0.000 0.000 1.411) 1.411 13.026 ( 0.000 0.000 0.493) 0.493 13.848 ( 0.000 0.000 4.900) 4.900 13.992 ( 0.000 0.000 4.560) 4.560 14.286 ( 0.000 0.000 -7.570) 7.570 14.360 ( 0.000 0.000 -4.001) 4.001 17.314 ( 0.000 0.000 2.034) 2.034 17.360 ( 0.000 0.000 -0.099) 0.099 18.046 ( 0.000 0.000 -0.194) 0.194 18.084 ( 0.000 0.000 -1.948) 1.948 22.405 ( 0.000 0.000 3.824) 3.824 22.490 ( 0.000 0.000 0.101) 0.101 22.745 ( 0.000 0.000 0.094) 0.094 22.817 ( 0.000 0.000 -3.382) 3.382 23.241 ( 0.000 0.000 15.057) 15.057 23.303 ( 0.000 0.000 14.550) 14.550 23.349 ( 0.000 0.000 20.924) 20.924 24.105 ( 0.000 0.000 -13.377) 13.377 24.889 ( 0.000 0.000 -3.546) 3.546 24.908 ( 0.000 0.000 -0.593) 0.593 25.162 ( 0.000 0.000 -5.385) 5.385 25.228 ( 0.000 0.000 -9.239) 9.239 104.225 ( 0.000 0.000 0.887) 0.887 104.273 ( 0.000 0.000 -1.111) 1.111 104.484 ( 0.000 0.000 0.537) 0.537 104.517 ( 0.000 0.000 -0.812) 0.812 105.858 ( 0.000 0.000 0.195) 0.195 105.864 ( 0.000 0.000 0.022) 0.022 106.010 ( 0.000 0.000 2.926) 2.926 106.227 ( 0.000 0.000 -7.640) 7.640 ======================= Grid point 226 (74/120) ======================= q-point: ( 0.25 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( 8.245 0.000 14.381) 16.577 1.664 ( -4.679 0.000 -1.504) 4.915 1.778 ( 3.154 0.000 23.499) 23.710 1.949 ( -3.587 0.000 19.176) 19.508 2.101 ( -0.139 0.000 3.558) 3.560 2.219 ( -1.274 0.000 -0.394) 1.333 2.597 ( 0.552 0.000 -14.662) 14.673 2.624 ( -0.445 0.000 -11.486) 11.495 3.241 ( 3.076 0.000 20.275) 20.507 3.381 ( -2.343 0.000 19.439) 19.579 3.506 ( 2.097 0.000 2.821) 3.515 3.623 ( -2.861 0.000 -0.803) 2.972 3.773 ( 2.729 0.000 0.228) 2.739 3.874 ( -1.620 0.000 -2.903) 3.324 3.988 ( 0.470 0.000 10.123) 10.134 4.089 ( -3.393 0.000 4.960) 6.010 4.235 ( 2.245 0.000 -13.536) 13.720 4.332 ( -1.968 0.000 -13.626) 13.767 4.381 ( 2.223 0.000 -11.072) 11.293 4.484 ( -1.569 0.000 -11.504) 11.611 5.634 ( 2.190 0.000 -0.295) 2.209 5.723 ( 0.187 0.000 -3.814) 3.818 6.007 ( -0.980 0.000 -3.302) 3.445 6.074 ( -0.712 0.000 -6.167) 6.208 7.961 ( 0.035 0.000 0.860) 0.860 7.962 ( 0.027 0.000 0.827) 0.828 9.287 ( 0.174 0.000 -4.356) 4.360 9.296 ( -0.197 0.000 -4.742) 4.746 9.527 ( 1.689 0.000 0.326) 1.720 9.585 ( -0.432 0.000 -1.246) 1.318 9.936 ( 0.200 0.000 1.095) 1.114 9.947 ( -0.211 0.000 0.593) 0.629 10.400 ( 2.625 0.000 9.200) 9.567 10.542 ( -2.890 0.000 2.540) 3.848 11.141 ( 1.470 0.000 4.862) 5.079 11.206 ( -1.054 0.000 2.268) 2.501 11.365 ( 0.044 0.000 1.478) 1.478 11.367 ( -0.043 0.000 1.363) 1.364 11.553 ( 1.283 0.000 -2.213) 2.558 11.637 ( -1.997 0.000 -8.143) 8.384 12.833 ( 1.412 0.000 3.404) 3.686 12.936 ( -3.036 0.000 2.508) 3.938 12.992 ( 0.946 0.000 -1.976) 2.191 13.032 ( -0.151 0.000 -0.974) 0.986 13.866 ( 1.738 0.000 5.187) 5.470 13.966 ( -2.331 0.000 5.188) 5.688 14.301 ( 1.397 0.000 -7.465) 7.595 14.355 ( -0.615 0.000 -5.003) 5.041 17.320 ( 0.600 0.000 1.748) 1.848 17.353 ( -0.672 0.000 0.243) 0.714 18.052 ( 0.553 0.000 -0.480) 0.732 18.079 ( -0.491 0.000 -1.717) 1.786 22.416 ( 1.016 0.000 3.430) 3.577 22.475 ( -1.343 0.000 0.885) 1.609 22.758 ( 1.161 0.000 -0.654) 1.333 22.808 ( -0.831 0.000 -3.024) 3.136 23.246 ( 1.106 0.000 16.276) 16.314 23.329 ( -1.783 0.000 20.327) 20.405 23.398 ( 8.704 0.000 12.172) 14.964 23.954 ( -13.630 0.000 -6.026) 14.903 24.882 ( -0.404 0.000 -2.648) 2.679 24.897 ( -0.885 0.000 -1.312) 1.583 25.164 ( 0.502 0.000 -6.370) 6.390 25.215 ( -1.227 0.000 -9.025) 9.108 104.247 ( 2.088 0.000 1.082) 2.352 104.299 ( 1.576 0.000 -1.073) 1.907 104.464 ( -1.121 0.000 0.306) 1.162 104.506 ( -1.234 0.000 -1.405) 1.870 105.877 ( 1.861 0.000 0.716) 1.994 105.921 ( 3.878 0.000 -1.065) 4.022 106.003 ( 0.380 0.000 1.256) 1.312 106.192 ( -3.530 0.000 -7.404) 8.203 ======================= Grid point 227 (75/120) ======================= q-point: (-0.50 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( -10.233 0.000 7.493) 12.683 1.503 ( 10.233 0.000 7.493) 12.683 1.861 ( -4.715 0.000 21.327) 21.842 1.861 ( 4.715 0.000 21.327) 21.842 2.154 ( -4.269 0.000 -0.288) 4.279 2.154 ( 4.269 0.000 -0.288) 4.279 2.611 ( -0.750 0.000 -13.185) 13.207 2.611 ( 0.750 0.000 -13.185) 13.207 3.316 ( -3.885 0.000 19.997) 20.371 3.316 ( 3.885 0.000 19.997) 20.371 3.561 ( -3.102 0.000 1.763) 3.568 3.561 ( 3.102 0.000 1.763) 3.568 3.829 ( -2.668 0.000 -2.030) 3.353 3.829 ( 2.668 0.000 -2.030) 3.353 4.021 ( -2.819 0.000 7.754) 8.250 4.021 ( 2.819 0.000 7.754) 8.250 4.284 ( -2.553 0.000 -13.334) 13.576 4.284 ( 2.553 0.000 -13.334) 13.576 4.437 ( -2.913 0.000 -11.330) 11.699 4.437 ( 2.913 0.000 -11.330) 11.699 5.690 ( -2.968 0.000 -0.306) 2.984 5.690 ( 2.968 0.000 -0.306) 2.984 6.033 ( -2.704 0.000 -7.140) 7.635 6.033 ( 2.704 0.000 -7.140) 7.635 7.962 ( -0.005 0.000 0.847) 0.847 7.962 ( 0.005 0.000 0.847) 0.847 9.291 ( -0.263 0.000 -4.553) 4.560 9.291 ( 0.263 0.000 -4.553) 4.560 9.564 ( -1.638 0.000 -0.078) 1.640 9.564 ( 1.638 0.000 -0.078) 1.640 9.941 ( -0.290 0.000 0.845) 0.894 9.941 ( 0.290 0.000 0.845) 0.894 10.469 ( -3.935 0.000 5.808) 7.015 10.469 ( 3.935 0.000 5.808) 7.015 11.176 ( -1.779 0.000 3.490) 3.918 11.176 ( 1.779 0.000 3.490) 3.918 11.366 ( -0.062 0.000 1.420) 1.422 11.366 ( 0.062 0.000 1.420) 1.422 11.590 ( -2.327 0.000 -5.057) 5.567 11.590 ( 2.327 0.000 -5.057) 5.567 12.875 ( -2.727 0.000 3.632) 4.541 12.875 ( 2.727 0.000 3.632) 4.541 13.016 ( -1.230 0.000 -2.008) 2.355 13.016 ( 1.230 0.000 -2.008) 2.355 13.912 ( -2.722 0.000 5.589) 6.216 13.912 ( 2.722 0.000 5.589) 6.216 14.333 ( -1.498 0.000 -6.634) 6.801 14.333 ( 1.498 0.000 -6.634) 6.801 17.336 ( -0.897 0.000 1.022) 1.360 17.336 ( 0.897 0.000 1.022) 1.360 18.066 ( -0.735 0.000 -1.126) 1.345 18.066 ( 0.735 0.000 -1.126) 1.345 22.443 ( -1.613 0.000 2.330) 2.834 22.443 ( 1.613 0.000 2.330) 2.834 22.785 ( -1.353 0.000 -2.012) 2.425 22.785 ( 1.353 0.000 -2.012) 2.425 23.284 ( -2.374 0.000 18.273) 18.426 23.284 ( 2.374 0.000 18.273) 18.426 23.644 ( -15.124 0.000 5.827) 16.208 23.644 ( 15.124 0.000 5.827) 16.208 24.882 ( -0.441 0.000 -2.059) 2.106 24.882 ( 0.441 0.000 -2.059) 2.106 25.186 ( -1.465 0.000 -8.069) 8.201 25.186 ( 1.465 0.000 -8.069) 8.201 104.295 ( -2.038 0.000 0.682) 2.149 104.295 ( 2.038 0.000 0.682) 2.149 104.471 ( -1.772 0.000 -1.459) 2.295 104.471 ( 1.772 0.000 -1.459) 2.295 105.922 ( -2.252 0.000 1.526) 2.720 105.922 ( 2.252 0.000 1.526) 2.720 106.090 ( -6.131 0.000 -5.717) 8.383 106.090 ( 6.131 0.000 -5.717) 8.383 ======================= Grid point 230 (76/120) ======================= q-point: ( 0.00 0.07 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( 0.000 4.912 16.248) 16.974 1.633 ( 0.000 0.292 4.624) 4.634 1.925 ( 0.000 7.590 13.255) 15.274 2.057 ( 0.000 5.342 13.522) 14.538 2.216 ( 0.000 10.776 2.520) 11.067 2.347 ( 0.000 12.454 4.169) 13.133 2.745 ( 0.000 13.776 -14.482) 19.987 2.824 ( 0.000 16.833 -10.931) 20.071 3.255 ( 0.000 5.008 20.323) 20.931 3.431 ( 0.000 2.960 18.128) 18.368 3.626 ( 0.000 11.897 2.718) 12.203 3.773 ( 0.000 1.675 7.974) 8.148 3.802 ( 0.000 12.598 -4.462) 13.365 3.998 ( 0.000 8.682 -4.533) 9.794 4.069 ( 0.000 6.391 8.974) 11.017 4.184 ( 0.000 7.528 1.539) 7.684 4.208 ( 0.000 0.787 -14.611) 14.632 4.345 ( 0.000 -1.075 -15.505) 15.543 4.361 ( 0.000 1.750 -7.035) 7.249 4.496 ( 0.000 0.038 -10.489) 10.489 5.602 ( 0.000 -0.910 -0.734) 1.169 5.693 ( 0.000 -1.632 -4.378) 4.672 5.986 ( 0.000 -6.058 -2.510) 6.557 5.990 ( 0.000 -5.593 -1.653) 5.832 7.973 ( 0.000 1.180 -0.767) 1.408 7.980 ( 0.000 1.732 -0.902) 1.953 9.189 ( 0.000 -8.377 -4.103) 9.328 9.192 ( 0.000 -9.200 -4.284) 10.148 9.566 ( 0.000 4.428 1.101) 4.563 9.655 ( 0.000 5.946 -1.400) 6.108 9.800 ( 0.000 -9.977 0.512) 9.990 9.801 ( 0.000 -11.090 0.503) 11.102 10.491 ( 0.000 8.054 9.066) 12.127 10.627 ( 0.000 2.793 3.520) 4.493 10.920 ( 0.000 -13.188 1.509) 13.274 11.076 ( 0.000 -10.865 -3.523) 11.422 11.355 ( 0.000 3.498 -3.140) 4.701 11.433 ( 0.000 5.106 -3.637) 6.269 11.773 ( 0.000 16.501 6.258) 17.647 11.899 ( 0.000 15.571 -1.411) 15.635 12.807 ( 0.000 -1.940 4.624) 5.015 12.904 ( 0.000 -7.390 2.972) 7.965 13.026 ( 0.000 5.157 -0.725) 5.207 13.039 ( 0.000 2.243 0.262) 2.258 13.806 ( 0.000 -4.036 3.683) 5.464 13.938 ( 0.000 -5.093 2.872) 5.848 14.237 ( 0.000 -4.148 -5.416) 6.822 14.322 ( 0.000 -3.489 -3.681) 5.072 17.448 ( 0.000 12.337 3.015) 12.700 17.650 ( 0.000 25.092 -8.531) 26.503 18.167 ( 0.000 11.127 1.261) 11.199 18.297 ( 0.000 19.358 -5.346) 20.082 22.140 ( 0.000 -19.756 5.592) 20.532 22.238 ( 0.000 -19.414 1.461) 19.469 22.454 ( 0.000 -20.356 3.763) 20.701 22.613 ( 0.000 -16.839 -4.147) 17.342 23.510 ( 0.000 18.506 10.401) 21.229 23.517 ( 0.000 14.840 11.934) 19.044 23.604 ( 0.000 17.955 15.069) 23.440 24.132 ( 0.000 1.157 -8.080) 8.162 24.938 ( 0.000 3.125 0.193) 3.131 24.964 ( 0.000 7.433 -3.370) 8.161 25.213 ( 0.000 5.245 -4.383) 6.835 25.270 ( 0.000 4.250 -7.418) 8.549 104.224 ( 0.000 -0.042 0.881) 0.882 104.271 ( 0.000 -0.236 -1.052) 1.078 104.464 ( 0.000 -1.740 0.987) 2.000 104.505 ( 0.000 -1.086 -0.877) 1.396 105.835 ( 0.000 -2.091 0.249) 2.106 105.843 ( 0.000 -1.921 -0.024) 1.921 105.977 ( 0.000 -3.115 2.838) 4.214 106.176 ( 0.000 -4.750 -6.882) 8.362 ======================= Grid point 231 (77/120) ======================= q-point: ( 0.25 0.07 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( 7.460 4.212 13.594) 16.069 1.631 ( -1.644 0.656 3.268) 3.717 1.904 ( -0.876 6.359 16.994) 18.166 2.023 ( -3.222 5.529 14.394) 15.753 2.223 ( 1.255 12.326 2.642) 12.668 2.331 ( -1.863 11.622 2.154) 11.965 2.756 ( 1.046 14.126 -14.058) 19.956 2.813 ( -1.080 16.298 -11.679) 20.080 3.283 ( 2.643 4.614 20.075) 20.768 3.407 ( -2.259 3.166 18.430) 18.836 3.647 ( 1.734 11.290 2.745) 11.747 3.727 ( -2.364 6.708 3.110) 7.762 3.864 ( 3.910 8.587 -0.059) 9.435 3.987 ( -1.273 9.004 -3.205) 9.642 4.066 ( 0.062 7.079 7.485) 10.302 4.146 ( -2.891 8.192 1.196) 8.769 4.233 ( 1.807 0.236 -12.277) 12.411 4.320 ( -1.931 -0.674 -13.368) 13.523 4.386 ( 2.059 1.049 -9.338) 9.620 4.480 ( -1.551 0.023 -10.535) 10.649 5.620 ( 1.817 -1.301 -0.054) 2.235 5.703 ( 0.023 -1.855 -3.298) 3.784 5.942 ( -1.029 -5.798 -2.181) 6.280 6.007 ( -0.752 -5.965 -4.911) 7.763 7.975 ( 0.200 1.322 -0.769) 1.542 7.981 ( -0.007 1.709 -0.866) 1.916 9.191 ( 0.161 -8.462 -4.137) 9.421 9.193 ( 0.086 -8.992 -4.268) 9.954 9.583 ( 1.573 4.377 1.083) 4.776 9.648 ( -0.845 5.450 -0.642) 5.552 9.798 ( 0.001 -10.578 0.420) 10.587 9.802 ( 0.006 -10.367 0.303) 10.371 10.510 ( 1.775 7.318 8.238) 11.161 10.606 ( -1.953 3.584 4.349) 5.964 10.943 ( 2.177 -12.817 0.680) 13.018 11.054 ( -2.095 -11.147 -2.836) 11.691 11.366 ( 1.032 3.686 -3.233) 5.011 11.421 ( -1.109 4.834 -3.584) 6.119 11.790 ( 1.641 16.446 5.201) 17.327 11.879 ( -1.842 15.802 -0.213) 15.911 12.820 ( 1.273 -2.260 4.926) 5.567 12.894 ( -1.230 -6.320 4.263) 7.722 13.010 ( -0.488 4.279 -0.887) 4.397 13.038 ( -0.590 2.179 -0.843) 2.410 13.824 ( 1.716 -4.029 3.961) 5.905 13.916 ( -1.964 -4.698 3.620) 6.248 14.254 ( 1.477 -4.125 -5.644) 7.145 14.314 ( -0.825 -3.670 -4.335) 5.740 17.473 ( 2.405 13.744 1.819) 14.071 17.614 ( -3.214 22.463 -6.038) 23.481 18.190 ( 2.117 13.008 -0.336) 13.183 18.281 ( -1.528 18.534 -4.733) 19.190 22.153 ( 1.219 -19.713 5.246) 20.436 22.221 ( -1.525 -19.496 2.546) 19.720 22.479 ( 2.322 -19.947 2.173) 20.199 22.591 ( -2.092 -17.475 -3.244) 17.896 23.507 ( 1.079 17.813 11.952) 21.478 23.586 ( -1.480 18.268 15.055) 23.719 23.600 ( 6.548 14.028 9.170) 17.993 24.021 ( -10.144 4.188 -3.083) 11.399 24.933 ( -0.310 3.829 -0.214) 3.847 24.950 ( -1.088 6.708 -2.550) 7.259 25.214 ( 0.344 5.092 -5.060) 7.187 25.258 ( -1.099 4.411 -7.218) 8.530 104.245 ( 1.967 -0.167 1.083) 2.252 104.295 ( 1.475 -0.389 -0.986) 1.816 104.447 ( -0.935 -1.476 0.606) 1.850 104.493 ( -1.310 -1.228 -1.310) 2.222 105.852 ( 1.681 -2.306 0.765) 2.955 105.892 ( 3.254 -2.651 -0.792) 4.271 105.971 ( 0.419 -2.977 1.295) 3.273 106.142 ( -3.334 -4.567 -6.564) 8.664 ======================= Grid point 232 (78/120) ======================= q-point: (-0.50 0.07 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( -8.659 2.539 7.472) 11.716 1.519 ( 8.659 2.539 7.472) 11.716 1.941 ( -4.086 5.430 17.124) 18.423 1.941 ( 4.086 5.430 17.124) 18.423 2.273 ( -3.336 12.069 1.332) 12.593 2.273 ( 3.336 12.069 1.332) 12.593 2.784 ( -1.590 15.107 -13.015) 20.004 2.784 ( 1.590 15.107 -13.015) 20.004 3.348 ( -3.394 3.793 19.363) 20.021 3.348 ( 3.394 3.793 19.363) 20.021 3.685 ( -1.954 9.289 2.505) 9.818 3.685 ( 1.954 9.289 2.505) 9.818 3.940 ( -3.305 8.681 -0.792) 9.322 3.940 ( 3.305 8.681 -0.792) 9.322 4.088 ( -2.259 8.508 4.463) 9.870 4.088 ( 2.259 8.508 4.463) 9.870 4.276 ( -2.311 -0.501 -12.637) 12.856 4.276 ( 2.311 -0.501 -12.637) 12.856 4.436 ( -2.628 0.372 -10.213) 10.552 4.436 ( 2.628 0.372 -10.213) 10.552 5.670 ( -2.781 -1.899 -0.138) 3.370 5.670 ( 2.781 -1.899 -0.138) 3.370 5.966 ( -2.629 -5.908 -5.640) 8.581 5.966 ( 2.629 -5.908 -5.640) 8.581 7.979 ( -0.142 1.575 -0.801) 1.773 7.979 ( 0.142 1.575 -0.801) 1.773 9.193 ( -0.072 -8.665 -4.213) 9.635 9.193 ( 0.072 -8.665 -4.213) 9.635 9.620 ( -1.839 4.614 0.600) 5.003 9.620 ( 1.839 4.614 0.600) 5.003 9.800 ( -0.163 -10.382 0.210) 10.386 9.800 ( 0.163 -10.382 0.210) 10.386 10.557 ( -2.648 5.472 6.288) 8.746 10.557 ( 2.648 5.472 6.288) 8.746 10.999 ( -3.068 -11.934 -1.147) 12.375 10.999 ( 3.068 -11.934 -1.147) 12.375 11.393 ( -1.532 4.217 -3.430) 5.648 11.393 ( 1.532 4.217 -3.430) 5.648 11.833 ( -2.454 16.214 2.569) 16.599 11.833 ( 2.454 16.214 2.569) 16.599 12.856 ( -2.146 -3.556 5.302) 6.735 12.856 ( 2.146 -3.556 5.302) 6.735 13.018 ( -1.062 2.402 -1.416) 2.983 13.018 ( 1.062 2.402 -1.416) 2.983 13.868 ( -2.525 -4.181 4.248) 6.473 13.868 ( 2.525 -4.181 4.248) 6.473 14.288 ( -1.677 -3.963 -5.382) 6.891 14.288 ( 1.677 -3.963 -5.382) 6.891 17.538 ( -3.834 17.574 -1.540) 18.053 17.538 ( 3.834 17.574 -1.540) 18.053 18.239 ( -2.455 16.218 -2.950) 16.666 18.239 ( 2.455 16.218 -2.950) 16.666 22.185 ( -1.863 -19.615 4.196) 20.145 22.185 ( 1.863 -19.615 4.196) 20.145 22.537 ( -3.091 -18.841 -0.810) 19.110 22.537 ( 3.091 -18.841 -0.810) 19.110 23.543 ( -2.259 18.076 13.228) 22.513 23.543 ( 2.259 18.076 13.228) 22.513 23.787 ( -11.486 10.017 5.226) 16.112 23.787 ( 11.486 10.017 5.226) 16.112 24.933 ( -0.424 5.208 -1.319) 5.389 24.933 ( 0.424 5.208 -1.319) 5.389 25.232 ( -1.291 4.740 -6.391) 8.061 25.232 ( 1.291 4.740 -6.391) 8.061 104.290 ( -1.949 -0.399 0.713) 2.113 104.290 ( 1.949 -0.399 0.713) 2.113 104.457 ( -1.808 -1.297 -1.243) 2.549 104.457 ( 1.808 -1.297 -1.243) 2.549 105.893 ( -2.019 -2.706 1.470) 3.682 105.893 ( 2.019 -2.706 1.470) 3.682 106.049 ( -5.558 -3.843 -4.829) 8.305 106.049 ( 5.558 -3.843 -4.829) 8.305 ======================= Grid point 235 (79/120) ======================= q-point: ( 0.00 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( 0.000 10.745 13.823) 17.509 1.722 ( 0.000 7.779 3.159) 8.396 2.031 ( 0.000 4.564 11.401) 12.281 2.188 ( 0.000 7.362 7.266) 10.344 2.518 ( 0.000 14.257 1.601) 14.346 2.644 ( 0.000 13.161 5.365) 14.213 3.094 ( 0.000 18.029 -13.667) 22.624 3.229 ( 0.000 19.881 -12.273) 23.364 3.445 ( 0.000 13.879 17.920) 22.666 3.560 ( 0.000 10.503 15.476) 18.704 3.782 ( 0.000 1.722 11.146) 11.279 3.840 ( 0.000 4.228 4.923) 6.489 4.056 ( 0.000 5.625 -7.536) 9.404 4.150 ( 0.000 6.812 -8.747) 11.086 4.250 ( 0.000 8.446 1.167) 8.526 4.266 ( 0.000 5.352 -10.423) 11.717 4.321 ( 0.000 7.926 -8.741) 11.799 4.501 ( 0.000 17.144 -1.903) 17.249 4.508 ( 0.000 12.611 -2.844) 12.928 4.548 ( 0.000 8.196 -5.810) 10.046 5.573 ( 0.000 -1.845 0.205) 1.856 5.647 ( 0.000 -2.772 -2.364) 3.644 5.830 ( 0.000 -8.315 -0.621) 8.339 5.857 ( 0.000 -6.482 -1.038) 6.565 8.011 ( 0.000 2.480 -3.813) 4.548 8.028 ( 0.000 2.797 -4.171) 5.022 8.972 ( 0.000 -10.753 -3.495) 11.307 8.986 ( 0.000 -10.011 -4.131) 10.830 9.499 ( 0.000 -11.286 2.600) 11.582 9.541 ( 0.000 -12.514 0.932) 12.549 9.767 ( 0.000 7.619 -0.316) 7.625 9.832 ( 0.000 9.870 -2.212) 10.115 10.513 ( 0.000 -9.865 10.704) 14.557 10.568 ( 0.000 -9.205 7.174) 11.670 10.798 ( 0.000 5.161 -7.850) 9.395 10.967 ( 0.000 1.460 -12.401) 12.486 11.437 ( 0.000 3.651 -2.900) 4.662 11.535 ( 0.000 4.052 -5.544) 6.867 12.111 ( 0.000 14.633 12.033) 18.945 12.189 ( 0.000 11.123 7.299) 13.303 12.720 ( 0.000 -5.820 2.700) 6.415 12.721 ( 0.000 -9.026 3.249) 9.593 13.146 ( 0.000 7.646 3.681) 8.486 13.172 ( 0.000 8.193 2.760) 8.645 13.684 ( 0.000 -7.407 0.372) 7.416 13.794 ( 0.000 -8.190 -1.331) 8.297 14.139 ( 0.000 -4.829 -1.915) 5.195 14.229 ( 0.000 -5.035 -2.901) 5.811 17.784 ( 0.000 19.029 5.763) 19.882 18.253 ( 0.000 30.384 -19.464) 36.084 18.471 ( 0.000 17.174 4.714) 17.809 18.805 ( 0.000 27.395 -12.293) 30.026 21.729 ( 0.000 -18.526 4.723) 19.119 21.818 ( 0.000 -19.676 1.091) 19.707 22.034 ( 0.000 -19.175 3.323) 19.461 22.210 ( 0.000 -20.545 -4.716) 21.079 23.780 ( 0.000 9.389 8.853) 12.905 23.843 ( 0.000 12.164 3.930) 12.783 23.953 ( 0.000 14.201 7.918) 16.259 24.114 ( 0.000 -2.858 -0.254) 2.869 25.059 ( 0.000 9.145 3.107) 9.658 25.189 ( 0.000 13.615 -2.088) 13.774 25.392 ( 0.000 12.121 -0.980) 12.161 25.418 ( 0.000 10.251 -1.991) 10.443 104.224 ( 0.000 0.046 0.819) 0.820 104.264 ( 0.000 -0.356 -0.886) 0.955 104.420 ( 0.000 -2.333 1.574) 2.814 104.474 ( 0.000 -1.894 -1.008) 2.146 105.776 ( 0.000 -3.442 0.314) 3.457 105.788 ( 0.000 -3.317 -0.118) 3.320 105.890 ( 0.000 -5.033 2.445) 5.596 106.044 ( 0.000 -7.665 -5.049) 9.178 ======================= Grid point 236 (80/120) ======================= q-point: ( 0.25 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( 5.900 9.795 12.024) 16.593 1.719 ( -1.445 7.367 3.365) 8.227 2.016 ( -0.267 5.653 12.435) 13.662 2.150 ( -3.624 7.086 8.231) 11.449 2.534 ( 1.528 14.264 1.943) 14.476 2.623 ( -1.900 13.348 4.308) 14.154 3.109 ( 1.474 17.986 -13.546) 22.564 3.204 ( -2.262 19.097 -12.614) 22.999 3.464 ( 1.801 13.494 17.557) 22.217 3.546 ( -1.359 11.209 15.982) 19.569 3.791 ( 0.938 2.281 9.744) 10.051 3.836 ( -0.538 3.938 5.075) 6.446 4.078 ( 1.810 5.160 -6.967) 8.857 4.141 ( -0.947 5.843 -7.908) 9.879 4.266 ( 1.169 6.932 -5.142) 8.710 4.277 ( 1.036 4.263 -7.952) 9.082 4.339 ( 1.860 12.367 -5.287) 13.578 4.470 ( -2.772 17.047 -1.521) 17.337 4.509 ( 0.047 12.587 -3.113) 12.966 4.538 ( -0.893 8.951 -5.294) 10.438 5.582 ( 1.033 -2.233 0.580) 2.528 5.652 ( -0.314 -2.972 -1.975) 3.583 5.796 ( -1.049 -7.606 -0.387) 7.688 5.859 ( -0.986 -7.514 -2.792) 8.077 8.016 ( 0.405 2.552 -3.804) 4.598 8.028 ( -0.069 2.779 -4.059) 4.920 8.976 ( 0.313 -10.684 -3.601) 11.279 8.986 ( -0.075 -10.164 -4.051) 10.942 9.506 ( 0.594 -11.601 2.366) 11.855 9.535 ( -0.574 -12.455 1.190) 12.525 9.778 ( 1.020 7.993 -0.513) 8.074 9.824 ( -0.785 9.572 -1.848) 9.780 10.520 ( 0.670 -9.588 10.303) 14.090 10.559 ( -0.851 -9.120 7.851) 12.063 10.824 ( 2.415 4.397 -8.717) 10.057 10.944 ( -2.242 1.830 -11.869) 12.217 11.451 ( 1.323 3.759 -3.338) 5.198 11.520 ( -1.370 4.026 -5.202) 6.719 12.122 ( 1.063 14.122 11.285) 18.108 12.178 ( -1.099 11.628 7.933) 14.119 12.719 ( 0.193 -7.293 3.208) 7.970 12.727 ( 0.207 -7.609 2.940) 8.160 13.138 ( -0.494 7.797 3.548) 8.580 13.158 ( -1.141 8.029 2.826) 8.588 13.704 ( 1.790 -7.227 0.700) 7.478 13.782 ( -1.240 -7.741 -0.315) 7.846 14.154 ( 1.414 -4.961 -2.561) 5.760 14.219 ( -1.040 -5.094 -3.103) 6.054 17.833 ( 4.754 19.790 3.887) 20.720 18.139 ( -8.523 25.462 -9.425) 28.456 18.563 ( 6.476 21.929 -3.959) 23.205 18.773 ( -3.065 26.785 -11.468) 29.298 21.741 ( 1.116 -18.643 4.433) 19.196 21.803 ( -1.367 -19.423 2.070) 19.580 22.060 ( 2.400 -19.452 1.830) 19.685 22.184 ( -2.477 -20.403 -3.658) 20.876 23.806 ( 2.451 8.974 8.210) 12.407 23.863 ( 1.653 10.913 3.729) 11.650 23.940 ( -0.995 14.041 7.973) 16.178 24.063 ( -4.555 -0.081 1.702) 4.863 25.071 ( 1.241 9.956 2.446) 10.327 25.161 ( -2.433 13.183 -1.029) 13.445 25.389 ( -0.020 11.907 -1.091) 11.957 25.412 ( -0.596 10.706 -1.945) 10.897 104.241 ( 1.655 -0.148 1.028) 1.954 104.284 ( 1.240 -0.569 -0.778) 1.570 104.409 ( -0.599 -2.111 1.069) 2.441 104.459 ( -1.436 -1.971 -1.185) 2.711 105.788 ( 1.214 -3.703 0.769) 3.972 105.819 ( 1.929 -4.235 -0.317) 4.664 105.888 ( 0.539 -4.828 1.161) 4.995 106.016 ( -2.679 -7.250 -4.659) 9.025 ======================= Grid point 237 (81/120) ======================= q-point: (-0.50 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( -6.824 7.951 7.519) 12.896 1.630 ( 6.824 7.951 7.519) 12.896 2.061 ( -4.342 6.730 10.711) 13.374 2.061 ( 4.342 6.730 10.711) 13.374 2.576 ( -2.496 13.904 2.784) 14.398 2.576 ( 2.496 13.904 2.784) 14.398 3.151 ( -2.604 18.185 -13.154) 22.594 3.151 ( 2.604 18.185 -13.154) 22.594 3.508 ( -2.275 12.455 16.816) 21.049 3.508 ( 2.275 12.455 16.816) 21.049 3.816 ( -1.317 3.251 6.874) 7.718 3.816 ( 1.317 3.251 6.874) 7.718 4.114 ( -1.615 4.851 -7.036) 8.698 4.114 ( 1.615 4.851 -7.036) 8.698 4.286 ( -0.490 4.175 -8.699) 9.662 4.286 ( 0.490 4.175 -8.699) 9.662 4.399 ( -3.844 17.352 -0.901) 17.796 4.399 ( 3.844 17.352 -0.901) 17.796 4.518 ( -0.888 10.707 -4.237) 11.549 4.518 ( 0.888 10.707 -4.237) 11.549 5.618 ( -2.325 -2.948 0.333) 3.769 5.618 ( 2.325 -2.948 0.333) 3.769 5.818 ( -2.459 -7.667 -2.995) 8.591 5.818 ( 2.459 -7.667 -2.995) 8.591 8.024 ( -0.331 2.692 -3.872) 4.728 8.024 ( 0.331 2.692 -3.872) 4.728 8.982 ( -0.269 -10.465 -3.840) 11.150 8.982 ( 0.269 -10.465 -3.840) 11.150 9.521 ( -0.810 -12.160 1.790) 12.318 9.521 ( 0.810 -12.160 1.790) 12.318 9.802 ( -1.292 8.824 -1.095) 8.985 9.802 ( 1.292 8.824 -1.095) 8.985 10.538 ( -1.110 -9.183 9.201) 13.047 10.538 ( 1.110 -9.183 9.201) 13.047 10.885 ( -3.311 2.928 -10.448) 11.345 10.885 ( 3.311 2.928 -10.448) 11.345 11.485 ( -1.904 3.933 -4.317) 6.142 11.485 ( 1.904 3.933 -4.317) 6.142 12.150 ( -1.522 12.872 9.552) 16.100 12.150 ( 1.522 12.872 9.552) 16.100 12.726 ( -0.339 -7.478 3.184) 8.135 12.726 ( 0.339 -7.478 3.184) 8.135 13.138 ( -0.598 7.920 3.156) 8.547 13.138 ( 0.598 7.920 3.156) 8.547 13.746 ( -2.179 -7.191 0.821) 7.558 13.746 ( 2.179 -7.191 0.821) 7.558 14.189 ( -1.794 -5.118 -3.225) 6.309 14.189 ( 1.794 -5.118 -3.225) 6.309 17.966 ( -8.050 21.932 -1.326) 23.400 17.966 ( 8.050 21.932 -1.326) 23.400 18.686 ( -5.415 25.042 -9.000) 27.155 18.686 ( 5.415 25.042 -9.000) 27.155 21.770 ( -1.684 -18.976 3.534) 19.376 21.770 ( 1.684 -18.976 3.534) 19.376 22.121 ( -3.397 -19.983 -1.066) 20.297 22.121 ( 3.397 -19.983 -1.066) 20.297 23.863 ( -2.367 9.748 6.000) 11.689 23.863 ( 2.367 9.748 6.000) 11.689 23.964 ( -4.171 7.682 5.403) 10.276 23.964 ( 4.171 7.682 5.403) 10.276 25.109 ( -2.433 11.746 0.886) 12.028 25.109 ( 2.433 11.746 0.886) 12.028 25.397 ( -0.728 11.383 -1.579) 11.515 25.397 ( 0.728 11.383 -1.579) 11.515 104.280 ( -1.694 -0.542 0.743) 1.927 104.280 ( 1.694 -0.542 0.743) 1.927 104.422 ( -1.848 -1.979 -0.843) 2.836 104.422 ( 1.848 -1.979 -0.843) 2.836 105.818 ( -1.451 -4.324 1.244) 4.727 105.818 ( 1.451 -4.324 1.244) 4.727 105.944 ( -4.085 -5.960 -3.086) 7.857 105.944 ( 4.085 -5.960 -3.086) 7.857 ======================= Grid point 240 (82/120) ======================= q-point: ( 0.00 0.21 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.682 ( 0.000 13.195 11.040) 17.204 1.918 ( 0.000 9.931 2.772) 10.311 2.152 ( 0.000 7.437 8.874) 11.578 2.360 ( 0.000 9.061 2.438) 9.384 2.724 ( 0.000 5.832 3.436) 6.769 2.815 ( 0.000 3.522 5.647) 6.656 3.412 ( 0.000 10.929 -15.580) 19.031 3.526 ( 0.000 6.600 -12.253) 13.918 3.733 ( 0.000 7.771 4.401) 8.931 3.870 ( 0.000 2.558 6.633) 7.109 3.874 ( 0.000 18.356 12.142) 22.008 3.961 ( 0.000 18.531 15.417) 24.105 4.085 ( 0.000 0.518 -8.802) 8.818 4.201 ( 0.000 -0.271 -8.601) 8.605 4.317 ( 0.000 5.786 -7.159) 9.205 4.438 ( 0.000 10.166 -6.920) 12.298 4.720 ( 0.000 21.963 0.993) 21.986 4.820 ( 0.000 18.471 -2.832) 18.687 4.849 ( 0.000 15.164 -0.492) 15.172 4.875 ( 0.000 17.947 -0.776) 17.964 5.525 ( 0.000 -2.838 1.332) 3.135 5.583 ( 0.000 -3.092 -0.449) 3.125 5.669 ( 0.000 -6.408 1.526) 6.588 5.748 ( 0.000 -3.479 -1.225) 3.688 8.073 ( 0.000 3.403 -5.575) 6.532 8.095 ( 0.000 3.557 -6.136) 7.092 8.788 ( 0.000 -6.229 -3.105) 6.960 8.814 ( 0.000 -5.901 -4.378) 7.347 9.256 ( 0.000 -11.460 2.131) 11.657 9.285 ( 0.000 -12.063 1.071) 12.110 9.958 ( 0.000 9.945 1.802) 10.107 10.058 ( 0.000 11.638 -1.655) 11.755 10.251 ( 0.000 -13.413 5.228) 14.396 10.330 ( 0.000 -12.259 2.688) 12.550 10.956 ( 0.000 7.775 -10.001) 12.668 11.045 ( 0.000 4.222 -13.031) 13.698 11.515 ( 0.000 4.616 -2.058) 5.054 11.603 ( 0.000 3.184 -5.299) 6.182 12.268 ( 0.000 -5.150 16.650) 17.428 12.283 ( 0.000 -0.701 17.013) 17.028 12.616 ( 0.000 0.249 0.813) 0.850 12.638 ( 0.000 -0.128 -0.326) 0.350 13.283 ( 0.000 1.373 2.854) 3.167 13.294 ( 0.000 0.511 2.021) 2.085 13.555 ( 0.000 -1.042 -0.145) 1.052 13.659 ( 0.000 -1.902 -1.976) 2.743 14.052 ( 0.000 -3.281 -0.450) 3.312 14.129 ( 0.000 -4.271 -2.155) 4.784 18.198 ( 0.000 20.272 9.261) 22.287 18.837 ( 0.000 17.407 8.503) 19.373 18.838 ( 0.000 25.197 -22.670) 33.894 19.346 ( 0.000 23.225 -16.394) 28.428 21.400 ( 0.000 -13.012 1.863) 13.145 21.458 ( 0.000 -14.518 -1.001) 14.552 21.680 ( 0.000 -14.836 0.781) 14.857 21.804 ( 0.000 -18.044 -4.886) 18.693 23.892 ( 0.000 1.584 5.652) 5.870 24.006 ( 0.000 4.118 -1.059) 4.252 24.041 ( 0.000 -3.240 4.549) 5.585 24.155 ( 0.000 5.293 -0.672) 5.336 25.322 ( 0.000 15.770 7.096) 17.293 25.496 ( 0.000 15.507 0.117) 15.508 25.684 ( 0.000 14.721 4.175) 15.302 25.698 ( 0.000 16.464 3.203) 16.772 104.226 ( 0.000 0.194 0.667) 0.694 104.257 ( 0.000 -0.346 -0.642) 0.729 104.372 ( 0.000 -2.181 1.645) 2.732 104.429 ( 0.000 -2.312 -1.082) 2.553 105.699 ( 0.000 -3.932 0.339) 3.947 105.711 ( 0.000 -3.911 -0.186) 3.916 105.778 ( 0.000 -5.491 1.706) 5.750 105.875 ( 0.000 -8.212 -3.001) 8.743 ======================= Grid point 241 (83/120) ======================= q-point: ( 0.25 0.21 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.725 ( 3.981 12.088 10.395) 16.433 1.901 ( -2.204 9.217 4.624) 10.545 2.164 ( 1.778 8.820 7.626) 11.795 2.322 ( -3.634 9.298 3.190) 10.480 2.738 ( 1.303 5.618 3.555) 6.775 2.803 ( -1.195 4.005 5.058) 6.561 3.422 ( 0.971 10.518 -15.287) 18.581 3.500 ( -2.239 7.685 -13.027) 15.290 3.749 ( 1.525 7.234 5.277) 9.083 3.831 ( -2.077 7.918 7.700) 11.238 3.913 ( 1.924 13.650 10.486) 17.320 3.959 ( -0.295 17.533 14.322) 22.641 4.105 ( 1.768 0.490 -8.154) 8.358 4.185 ( -1.513 0.236 -8.328) 8.468 4.339 ( 1.923 5.868 -7.121) 9.426 4.424 ( -1.432 9.117 -7.035) 11.604 4.749 ( 2.608 21.622 0.794) 21.793 4.827 ( 0.681 18.677 -2.241) 18.823 4.844 ( -0.745 16.534 -0.396) 16.555 4.867 ( -0.782 17.799 -0.800) 17.834 5.531 ( 0.696 -2.689 1.397) 3.109 5.589 ( -0.094 -2.772 -0.451) 2.809 5.647 ( -1.071 -6.375 1.219) 6.578 5.725 ( -2.212 -4.691 -1.509) 5.402 8.079 ( 0.509 3.464 -5.550) 6.562 8.094 ( -0.078 3.587 -5.958) 6.955 8.793 ( 0.409 -6.218 -3.315) 7.059 8.811 ( -0.308 -5.987 -4.210) 7.326 9.259 ( 0.302 -11.593 1.998) 11.768 9.280 ( -0.491 -12.013 1.253) 12.088 9.974 ( 1.481 10.117 1.281) 10.305 10.045 ( -1.298 11.284 -1.195) 11.421 10.263 ( 1.145 -13.161 5.048) 14.142 10.320 ( -1.005 -12.298 3.298) 12.772 10.968 ( 1.116 7.177 -10.709) 12.940 11.031 ( -1.291 4.714 -12.813) 13.714 11.529 ( 1.268 4.452 -2.484) 5.253 11.591 ( -1.167 3.439 -4.792) 6.013 12.269 ( 0.074 -4.574 16.564) 17.184 12.279 ( -0.339 -1.477 16.802) 16.870 12.623 ( 0.555 0.303 0.851) 1.060 12.638 ( -0.022 -0.012 -0.026) 0.036 13.274 ( -0.681 1.488 2.432) 2.931 13.280 ( -1.026 0.760 1.733) 2.152 13.581 ( 2.180 -1.158 0.341) 2.492 13.654 ( -0.687 -1.775 -0.916) 2.112 14.064 ( 1.105 -3.474 -1.026) 3.787 14.119 ( -0.991 -4.187 -2.142) 4.806 18.255 ( 5.496 20.310 7.550) 22.353 18.619 ( -10.991 20.780 -2.212) 23.612 19.035 ( 9.006 21.958 -10.907) 26.119 19.306 ( -3.874 23.056 -15.689) 28.156 21.409 ( 0.823 -13.165 1.623) 13.290 21.450 ( -0.793 -14.190 -0.311) 14.215 21.697 ( 1.613 -15.345 -0.233) 15.431 21.785 ( -1.827 -17.585 -4.144) 18.159 23.899 ( 0.837 0.947 5.443) 5.587 23.979 ( -2.261 -0.504 1.994) 3.057 24.066 ( 2.000 2.430 1.814) 3.633 24.143 ( -1.174 5.120 -0.539) 5.280 25.345 ( 2.223 15.972 6.336) 17.326 25.468 ( -2.617 15.847 1.567) 16.138 25.682 ( -0.044 15.209 3.736) 15.661 25.695 ( -0.347 15.993 3.155) 16.305 104.239 ( 1.258 -0.013 0.855) 1.521 104.273 ( 0.988 -0.544 -0.548) 1.254 104.365 ( -0.362 -2.041 1.186) 2.388 104.415 ( -1.419 -2.266 -1.079) 2.883 105.705 ( 0.702 -4.107 0.605) 4.210 105.725 ( 0.773 -4.630 -0.020) 4.694 105.780 ( 0.574 -5.358 0.775) 5.444 105.858 ( -1.697 -7.706 -2.689) 8.336 ======================= Grid point 242 (84/120) ======================= q-point: (-0.50 0.21 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( -5.084 9.904 8.245) 13.853 1.822 ( 5.084 9.904 8.245) 13.853 2.232 ( -4.596 9.708 5.020) 11.856 2.232 ( 4.596 9.708 5.020) 11.856 2.771 ( -1.785 4.947 4.078) 6.655 2.771 ( 1.785 4.947 4.078) 6.655 3.453 ( -2.096 9.364 -14.344) 17.258 3.453 ( 2.096 9.364 -14.344) 17.258 3.788 ( -2.159 7.039 6.407) 9.760 3.788 ( 2.159 7.039 6.407) 9.760 3.945 ( -1.192 15.720 12.032) 19.832 3.945 ( 1.192 15.720 12.032) 19.832 4.147 ( -2.154 0.559 -7.777) 8.089 4.147 ( 2.154 0.559 -7.777) 8.089 4.384 ( -2.336 7.113 -7.117) 10.330 4.384 ( 2.336 7.113 -7.117) 10.330 4.807 ( -2.670 20.327 0.035) 20.502 4.807 ( 2.670 20.327 0.035) 20.502 4.847 ( -1.059 17.529 -1.114) 17.596 4.847 ( 1.059 17.529 -1.114) 17.596 5.558 ( -1.988 -2.580 1.225) 3.480 5.558 ( 1.988 -2.580 1.225) 3.480 5.671 ( -2.720 -6.055 -1.175) 6.741 5.671 ( 2.720 -6.055 -1.175) 6.741 8.089 ( -0.427 3.571 -5.655) 6.701 8.089 ( 0.427 3.571 -5.655) 6.701 8.803 ( -0.497 -6.141 -3.783) 7.230 8.803 ( 0.497 -6.141 -3.783) 7.230 9.268 ( -0.559 -11.845 1.650) 11.973 9.268 ( 0.559 -11.845 1.650) 11.973 10.010 ( -1.961 10.605 0.019) 10.785 10.010 ( 1.961 10.605 0.019) 10.785 10.292 ( -1.606 -12.616 4.380) 13.451 10.292 ( 1.606 -12.616 4.380) 13.451 10.998 ( -1.776 5.892 -12.002) 13.488 10.998 ( 1.776 5.892 -12.002) 13.488 11.561 ( -1.706 3.991 -3.598) 5.638 11.561 ( 1.706 3.991 -3.598) 5.638 12.272 ( -0.279 -3.122 16.541) 16.835 12.272 ( 0.279 -3.122 16.541) 16.835 12.634 ( -0.439 0.225 0.574) 0.757 12.634 ( 0.439 0.225 0.574) 0.757 13.267 ( -0.142 1.294 1.789) 2.213 13.267 ( 0.142 1.294 1.789) 2.213 13.626 ( -2.025 -1.445 0.419) 2.522 13.626 ( 2.025 -1.445 0.419) 2.522 14.092 ( -1.547 -3.890 -1.861) 4.581 14.092 ( 1.547 -3.890 -1.861) 4.581 18.409 ( -9.449 20.460 3.156) 22.756 18.409 ( 9.449 20.460 3.156) 22.756 19.196 ( -6.890 22.594 -13.764) 27.339 19.196 ( 6.890 22.594 -13.764) 27.339 21.430 ( -1.135 -13.597 0.865) 13.671 21.430 ( 1.135 -13.597 0.865) 13.671 21.739 ( -2.428 -16.482 -2.308) 16.819 21.739 ( 2.428 -16.482 -2.308) 16.819 23.930 ( -2.214 -0.481 4.323) 4.880 23.930 ( 2.214 -0.481 4.323) 4.880 24.110 ( -2.098 4.598 0.154) 5.056 24.110 ( 2.098 4.598 0.154) 5.056 25.404 ( -3.365 16.181 4.269) 17.070 25.404 ( 3.365 16.181 4.269) 17.070 25.686 ( -0.414 15.601 3.223) 15.936 25.686 ( 0.414 15.601 3.223) 15.936 104.269 ( -1.323 -0.465 0.671) 1.555 104.269 ( 1.323 -0.465 0.671) 1.555 104.379 ( -1.733 -2.075 -0.547) 2.758 104.379 ( 1.733 -2.075 -0.547) 2.758 105.723 ( -0.819 -4.669 0.836) 4.814 105.723 ( 0.819 -4.669 0.836) 4.814 105.814 ( -2.381 -6.359 -1.594) 6.975 105.814 ( 2.381 -6.359 -1.594) 6.975 ======================= Grid point 245 (85/120) ======================= q-point: ( 0.00 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.947 ( 0.000 11.870 8.365) 14.521 2.089 ( 0.000 6.237 6.769) 9.204 2.339 ( 0.000 9.820 0.766) 9.849 2.537 ( 0.000 6.674 -3.799) 7.679 2.801 ( 0.000 2.877 6.428) 7.042 2.844 ( 0.000 1.205 7.986) 8.076 3.529 ( 0.000 1.369 -15.866) 15.925 3.571 ( 0.000 -0.136 -11.619) 11.620 3.770 ( 0.000 -0.171 2.618) 2.623 3.928 ( 0.000 1.163 3.555) 3.740 4.050 ( 0.000 -0.412 -6.346) 6.359 4.173 ( 0.000 -2.223 -7.478) 7.801 4.319 ( 0.000 19.823 7.219) 21.097 4.426 ( 0.000 22.321 9.345) 24.199 4.546 ( 0.000 15.010 -2.031) 15.146 4.706 ( 0.000 14.858 -2.742) 15.109 5.067 ( 0.000 8.211 -0.408) 8.222 5.126 ( 0.000 8.907 -2.647) 9.292 5.164 ( 0.000 16.999 1.876) 17.102 5.249 ( 0.000 16.396 -2.107) 16.530 5.467 ( 0.000 -1.290 2.254) 2.597 5.536 ( 0.000 -0.917 0.087) 0.921 5.604 ( 0.000 1.187 4.025) 4.197 5.728 ( 0.000 1.735 -1.125) 2.068 8.146 ( 0.000 3.592 -4.213) 5.537 8.168 ( 0.000 3.332 -4.449) 5.558 8.736 ( 0.000 1.334 -4.475) 4.669 8.756 ( 0.000 0.093 -4.927) 4.927 9.036 ( 0.000 -9.529 2.009) 9.739 9.047 ( 0.000 -10.801 2.293) 11.042 9.973 ( 0.000 -13.223 1.556) 13.315 10.038 ( 0.000 -10.280 -0.129) 10.281 10.210 ( 0.000 8.723 2.495) 9.073 10.309 ( 0.000 12.252 -0.345) 12.257 11.084 ( 0.000 4.087 -13.838) 14.429 11.109 ( 0.000 1.810 -13.170) 13.294 11.652 ( 0.000 8.805 -1.673) 8.962 11.697 ( 0.000 6.480 -3.174) 7.215 12.076 ( 0.000 -10.844 13.762) 17.521 12.136 ( 0.000 -10.290 11.740) 15.611 12.615 ( 0.000 -3.240 8.058) 8.685 12.636 ( 0.000 -3.506 8.199) 8.917 13.152 ( 0.000 -9.642 -9.403) 13.468 13.167 ( 0.000 -9.778 -8.010) 12.640 13.695 ( 0.000 10.377 7.099) 12.573 13.743 ( 0.000 7.126 5.634) 9.085 14.018 ( 0.000 0.253 -0.592) 0.643 14.065 ( 0.000 -1.757 -1.480) 2.297 18.607 ( 0.000 18.943 12.000) 22.424 19.167 ( 0.000 14.118 11.158) 17.995 19.279 ( 0.000 17.266 -19.679) 26.179 19.718 ( 0.000 11.990 -13.824) 18.299 21.192 ( 0.000 -7.215 -1.692) 7.410 21.232 ( 0.000 -7.245 -5.316) 8.986 21.424 ( 0.000 -9.924 -2.417) 10.214 21.478 ( 0.000 -13.235 -5.646) 14.389 23.871 ( 0.000 -2.354 4.574) 5.144 23.998 ( 0.000 -1.324 5.010) 5.182 24.041 ( 0.000 -0.174 -3.916) 3.920 24.195 ( 0.000 -0.809 -5.337) 5.398 25.676 ( 0.000 17.560 8.765) 19.626 25.814 ( 0.000 14.798 2.692) 15.041 25.992 ( 0.000 14.218 7.858) 16.245 26.035 ( 0.000 15.291 5.577) 16.276 104.232 ( 0.000 0.293 0.461) 0.546 104.251 ( 0.000 -0.262 -0.371) 0.454 104.331 ( 0.000 -1.777 1.300) 2.202 104.381 ( 0.000 -2.331 -1.032) 2.550 105.618 ( 0.000 -3.700 0.350) 3.717 105.631 ( 0.000 -3.712 -0.212) 3.718 105.670 ( 0.000 -4.832 0.875) 4.911 105.716 ( 0.000 -6.944 -1.352) 7.074 ======================= Grid point 246 (86/120) ======================= q-point: ( 0.25 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.967 ( 1.929 10.861 8.550) 13.957 2.069 ( -1.984 6.708 7.631) 10.352 2.368 ( 2.744 9.847 -0.263) 10.226 2.509 ( -2.695 7.475 -3.227) 8.577 2.809 ( 0.695 2.572 6.532) 7.054 2.839 ( -0.464 1.348 7.553) 7.686 3.532 ( 0.324 1.239 -15.327) 15.381 3.562 ( -0.829 0.155 -12.567) 12.595 3.787 ( 1.644 0.063 2.585) 3.064 3.893 ( -2.840 0.806 2.282) 3.731 4.083 ( 2.496 -0.566 -5.367) 5.946 4.162 ( -1.034 -1.987 -6.965) 7.316 4.340 ( 1.840 20.305 7.538) 21.737 4.416 ( -1.077 22.288 9.284) 24.168 4.564 ( 1.855 14.464 -2.358) 14.772 4.679 ( -2.531 14.494 -2.636) 14.948 5.087 ( 1.668 8.505 -0.385) 8.676 5.128 ( 0.031 9.530 -1.789) 9.696 5.180 ( 1.497 16.045 0.881) 16.139 5.242 ( -0.801 15.836 -1.701) 15.948 5.481 ( 1.325 -0.731 2.226) 2.691 5.544 ( 0.848 -1.537 0.502) 1.826 5.582 ( -1.705 2.127 2.962) 4.025 5.689 ( -3.514 1.608 -1.002) 3.992 8.154 ( 0.643 3.678 -4.137) 5.573 8.169 ( 0.060 3.504 -4.321) 5.563 8.738 ( 0.271 1.101 -4.534) 4.674 8.753 ( -0.277 0.273 -4.866) 4.881 9.035 ( -0.036 -9.822 2.109) 10.046 9.043 ( -0.322 -10.661 2.259) 10.902 9.984 ( 1.020 -13.039 1.090) 13.125 10.031 ( -0.743 -11.275 -0.207) 11.302 10.224 ( 1.351 9.809 2.497) 10.212 10.296 ( -1.315 11.926 0.441) 12.007 11.084 ( 0.138 3.602 -13.957) 14.415 11.105 ( -0.450 2.231 -13.630) 13.819 11.661 ( 0.735 8.482 -1.720) 8.686 11.692 ( -0.500 6.866 -2.824) 7.441 12.083 ( 0.673 -10.734 13.457) 17.227 12.125 ( -1.027 -10.359 12.078) 15.945 12.620 ( 0.532 -3.390 8.069) 8.769 12.637 ( -0.008 -3.516 8.227) 8.947 13.151 ( 0.008 -9.340 -9.152) 13.076 13.163 ( -0.332 -9.417 -8.314) 12.567 13.705 ( 0.898 9.656 7.016) 11.969 13.740 ( -0.416 7.317 6.007) 9.476 14.025 ( 0.664 -0.022 -0.824) 1.058 14.058 ( -0.624 -1.473 -1.424) 2.141 18.660 ( 5.156 18.599 10.674) 22.055 19.003 ( -10.283 16.365 4.347) 19.810 19.424 ( 8.447 15.001 -11.976) 20.972 19.681 ( -3.611 12.459 -13.570) 18.773 21.198 ( 0.568 -7.327 -1.925) 7.597 21.227 ( -0.495 -7.285 -4.390) 8.520 21.431 ( 0.685 -10.342 -3.175) 10.840 21.470 ( -0.814 -12.655 -5.379) 13.775 23.877 ( 0.626 -2.114 4.462) 4.977 23.949 ( -2.870 -1.377 3.405) 4.661 24.092 ( 3.081 -0.343 -2.610) 4.052 24.183 ( -1.186 -0.718 -4.940) 5.131 25.699 ( 2.078 17.315 8.261) 19.297 25.797 ( -1.685 15.436 4.123) 16.066 25.994 ( 0.287 14.270 7.047) 15.917 26.026 ( -0.856 15.065 5.581) 16.088 104.240 ( 0.864 0.100 0.607) 1.061 104.262 ( 0.779 -0.414 -0.360) 0.952 104.326 ( -0.240 -1.691 0.984) 1.971 104.368 ( -1.212 -2.194 -0.935) 2.675 105.622 ( 0.351 -3.817 0.409) 3.855 105.634 ( 0.095 -4.067 0.016) 4.068 105.673 ( 0.421 -4.846 0.379) 4.879 105.708 ( -0.763 -6.538 -1.183) 6.688 ======================= Grid point 247 (87/120) ======================= q-point: (-0.50 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.017 ( -2.832 8.577 8.545) 12.434 2.017 ( 2.832 8.577 8.545) 12.434 2.439 ( -3.902 9.008 -1.906) 10.001 2.439 ( 3.902 9.008 -1.906) 10.001 2.825 ( -0.843 1.884 6.878) 7.181 2.825 ( 0.843 1.884 6.878) 7.181 3.544 ( -0.826 0.786 -14.104) 14.150 3.544 ( 0.826 0.786 -14.104) 14.150 3.833 ( -2.800 0.418 2.144) 3.551 3.833 ( 2.800 0.418 2.144) 3.551 4.131 ( -2.073 -1.283 -5.827) 6.316 4.131 ( 2.073 -1.283 -5.827) 6.316 4.382 ( -2.127 21.432 8.407) 23.120 4.382 ( 2.127 21.432 8.407) 23.120 4.617 ( -3.186 14.132 -2.481) 14.698 4.617 ( 3.186 14.132 -2.481) 14.698 5.119 ( -1.137 9.344 -0.707) 9.439 5.119 ( 1.137 9.344 -0.707) 9.439 5.215 ( -1.735 15.203 -0.623) 15.314 5.215 ( 1.735 15.203 -0.623) 15.314 5.520 ( -2.426 -0.180 2.626) 3.579 5.520 ( 2.426 -0.180 2.626) 3.579 5.609 ( -3.774 1.380 -0.579) 4.059 5.609 ( 3.774 1.380 -0.579) 4.059 8.166 ( -0.447 3.720 -4.128) 5.575 8.166 ( 0.447 3.720 -4.128) 5.575 8.746 ( -0.395 0.658 -4.699) 4.762 8.746 ( 0.395 0.658 -4.699) 4.762 9.037 ( -0.229 -10.318 2.216) 10.555 9.037 ( 0.229 -10.318 2.216) 10.555 10.009 ( -1.328 -12.472 0.197) 12.544 10.009 ( 1.328 -12.472 0.197) 12.544 10.260 ( -2.032 11.157 1.835) 11.488 10.260 ( 2.032 11.157 1.835) 11.488 11.092 ( -0.667 2.885 -14.079) 14.387 11.092 ( 0.667 2.885 -14.079) 14.387 11.678 ( -0.880 7.706 -2.124) 8.042 11.678 ( 0.880 7.706 -2.124) 8.042 12.101 ( -1.141 -10.527 12.781) 16.597 12.101 ( 1.141 -10.527 12.781) 16.597 12.632 ( -0.481 -3.536 8.167) 8.913 12.632 ( 0.481 -3.536 8.167) 8.913 13.155 ( -0.403 -9.049 -8.757) 12.599 13.155 ( 0.403 -9.049 -8.757) 12.599 13.725 ( -0.977 8.232 6.654) 10.630 13.725 ( 0.977 8.232 6.654) 10.630 14.042 ( -0.933 -0.748 -1.210) 1.701 14.042 ( 0.933 -0.748 -1.210) 1.701 18.805 ( -8.928 17.677 7.395) 21.139 18.805 ( 8.928 17.677 7.395) 21.139 19.577 ( -6.533 13.588 -12.748) 19.744 19.577 ( 6.533 13.588 -12.748) 19.744 21.213 ( -0.830 -7.388 -2.814) 7.949 21.213 ( 0.830 -7.388 -2.814) 7.949 21.449 ( -1.084 -11.411 -4.520) 12.322 21.449 ( 1.084 -11.411 -4.520) 12.322 23.901 ( -1.822 -1.720 4.006) 4.725 23.901 ( 1.822 -1.720 4.006) 4.725 24.147 ( -2.319 -0.501 -3.855) 4.527 24.147 ( 2.319 -0.501 -3.855) 4.527 25.750 ( -2.735 16.565 6.652) 18.059 25.750 ( 2.735 16.565 6.652) 18.059 26.006 ( -0.915 14.586 5.913) 15.766 26.006 ( 0.915 14.586 5.913) 15.766 104.261 ( -0.925 -0.315 0.485) 1.091 104.261 ( 0.925 -0.315 0.486) 1.091 104.338 ( -1.431 -1.845 -0.369) 2.363 104.338 ( 1.431 -1.845 -0.369) 2.363 105.630 ( -0.381 -4.119 0.411) 4.157 105.630 ( 0.381 -4.119 0.411) 4.157 105.689 ( -1.025 -5.554 -0.621) 5.682 105.689 ( 1.025 -5.554 -0.621) 5.682 ======================= Grid point 250 (88/120) ======================= q-point: ( 0.00 0.36 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.160 ( 0.000 8.662 5.775) 10.411 2.187 ( 0.000 3.658 8.993) 9.709 2.490 ( 0.000 3.334 -5.096) 6.090 2.573 ( 0.000 -2.941 -5.288) 6.051 2.904 ( 0.000 8.081 7.295) 10.886 2.945 ( 0.000 8.539 6.879) 10.965 3.513 ( 0.000 -2.271 -12.626) 12.829 3.543 ( 0.000 -2.600 -12.421) 12.690 3.791 ( 0.000 2.373 3.135) 3.931 3.926 ( 0.000 -0.767 2.207) 2.336 4.029 ( 0.000 -1.502 -6.649) 6.816 4.107 ( 0.000 -3.846 -6.622) 7.658 4.706 ( 0.000 16.768 6.056) 17.828 4.788 ( 0.000 12.720 1.423) 12.800 4.892 ( 0.000 16.411 3.747) 16.833 4.995 ( 0.000 11.768 -0.895) 11.802 5.157 ( 0.000 1.964 0.138) 1.969 5.194 ( 0.000 -0.448 -1.940) 1.991 5.365 ( 0.000 -0.944 1.991) 2.204 5.390 ( 0.000 2.955 1.231) 3.201 5.604 ( 0.000 8.355 0.495) 8.370 5.623 ( 0.000 11.292 -0.977) 11.334 5.721 ( 0.000 8.791 3.247) 9.372 5.811 ( 0.000 5.589 -0.660) 5.628 8.226 ( 0.000 4.226 -0.466) 4.252 8.234 ( 0.000 3.254 0.201) 3.260 8.760 ( 0.000 -3.196 1.024) 3.356 8.817 ( 0.000 -0.726 -0.755) 1.048 8.859 ( 0.000 -0.580 -2.840) 2.899 8.909 ( 0.000 0.387 -4.652) 4.668 9.704 ( 0.000 -12.695 -1.919) 12.839 9.787 ( 0.000 -12.533 -4.498) 13.315 10.435 ( 0.000 11.537 4.551) 12.402 10.561 ( 0.000 11.823 1.462) 11.913 11.121 ( 0.000 -0.471 -14.080) 14.088 11.123 ( 0.000 -0.375 -10.807) 10.813 11.862 ( 0.000 2.944 4.175) 5.109 11.863 ( 0.000 5.801 1.096) 5.903 11.883 ( 0.000 1.230 3.249) 3.474 11.946 ( 0.000 -3.488 4.457) 5.660 12.455 ( 0.000 -11.163 8.303) 13.912 12.456 ( 0.000 -12.705 8.987) 15.562 12.955 ( 0.000 -10.640 -9.752) 14.433 12.955 ( 0.000 -9.624 -10.698) 14.390 13.884 ( 0.000 5.962 7.101) 9.272 13.902 ( 0.000 8.973 7.360) 11.605 14.054 ( 0.000 0.472 -0.105) 0.484 14.060 ( 0.000 3.264 0.519) 3.305 18.977 ( 0.000 16.773 12.805) 21.102 19.416 ( 0.000 9.885 11.632) 15.265 19.550 ( 0.000 8.870 -12.447) 15.284 19.841 ( 0.000 0.545 -5.904) 5.929 21.092 ( 0.000 -2.684 -5.117) 5.778 21.148 ( 0.000 -1.495 -10.402) 10.509 21.260 ( 0.000 -7.917 -7.514) 10.915 21.265 ( 0.000 -5.598 -5.589) 7.910 23.836 ( 0.000 -0.600 3.685) 3.734 23.974 ( 0.000 -0.940 2.879) 3.029 24.017 ( 0.000 -1.869 -4.833) 5.182 24.144 ( 0.000 -3.688 -6.305) 7.304 26.021 ( 0.000 15.182 8.598) 17.447 26.096 ( 0.000 12.110 5.079) 13.132 26.247 ( 0.000 10.004 9.305) 13.662 26.305 ( 0.000 10.276 6.498) 12.158 104.238 ( 0.000 0.303 0.282) 0.414 104.246 ( 0.000 -0.154 -0.115) 0.193 104.300 ( 0.000 -1.243 0.772) 1.463 104.335 ( 0.000 -1.970 -0.875) 2.155 105.549 ( 0.000 -2.954 0.331) 2.972 105.561 ( 0.000 -3.029 -0.239) 3.038 105.583 ( 0.000 -3.426 0.268) 3.437 105.595 ( 0.000 -4.585 -0.295) 4.595 ======================= Grid point 251 (89/120) ======================= q-point: ( 0.25 0.36 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.163 ( 0.281 8.007 6.267) 10.172 2.182 ( -0.437 4.488 8.512) 9.633 2.505 ( 1.376 2.255 -5.158) 5.795 2.564 ( -0.903 -2.188 -5.319) 5.822 2.910 ( 0.569 8.180 7.291) 10.972 2.939 ( -0.585 8.529 7.009) 11.055 3.516 ( 0.286 -2.228 -12.576) 12.775 3.537 ( -0.540 -2.440 -12.428) 12.676 3.805 ( 1.415 1.968 2.605) 3.558 3.895 ( -2.424 -0.087 1.354) 2.778 4.053 ( 1.775 -2.084 -5.729) 6.349 4.102 ( -0.523 -3.585 -6.306) 7.273 4.731 ( 2.237 16.705 5.753) 17.809 4.799 ( 0.589 13.559 2.381) 13.779 4.883 ( -0.500 15.408 2.822) 15.672 4.963 ( -2.797 11.747 -0.390) 12.082 5.182 ( 1.978 1.921 -0.191) 2.763 5.205 ( 0.857 -0.228 -1.601) 1.830 5.354 ( -0.895 -0.962 1.705) 2.153 5.372 ( -1.579 1.765 1.214) 2.661 5.618 ( 1.492 9.718 0.686) 9.856 5.644 ( 1.836 10.606 -0.732) 10.789 5.707 ( -1.212 8.789 2.538) 9.228 5.780 ( -2.834 6.195 -0.523) 6.832 8.235 ( 0.735 4.283 -0.190) 4.350 8.241 ( 0.540 3.647 0.246) 3.695 8.763 ( 0.340 -3.209 0.917) 3.355 8.804 ( -1.221 -1.938 -0.019) 2.291 8.867 ( 0.730 0.204 -3.610) 3.688 8.902 ( -0.681 0.435 -4.562) 4.633 9.715 ( 1.129 -12.722 -2.363) 12.989 9.774 ( -1.173 -12.613 -4.181) 13.339 10.455 ( 1.812 11.553 4.236) 12.438 10.544 ( -1.630 11.752 2.097) 12.048 11.115 ( -0.160 -0.353 -12.920) 12.925 11.125 ( -0.176 -0.464 -12.360) 12.369 11.862 ( 0.047 3.734 2.873) 4.712 11.865 ( 0.146 5.503 2.314) 5.972 11.894 ( 0.820 0.415 3.427) 3.548 11.934 ( -1.007 -3.125 4.608) 5.658 12.454 ( 0.109 -11.934 8.464) 14.631 12.460 ( 0.107 -12.098 8.564) 14.823 12.954 ( 0.094 -10.068 -10.137) 14.287 12.959 ( 0.092 -10.160 -10.162) 14.370 13.887 ( 0.333 6.417 7.167) 9.626 13.901 ( -0.181 8.567 7.357) 11.294 14.055 ( 0.073 0.834 -0.027) 0.837 14.059 ( -0.074 2.823 0.420) 2.855 19.021 ( 4.226 16.220 11.874) 20.541 19.298 ( -8.054 12.223 7.682) 16.531 19.645 ( 5.983 6.370 -7.477) 11.501 19.819 ( -2.232 1.371 -6.213) 6.742 21.098 ( 0.575 -2.606 -5.461) 6.078 21.138 ( -0.935 -1.842 -8.860) 9.098 21.260 ( 0.174 -6.980 -7.369) 10.152 21.268 ( 0.098 -6.265 -6.700) 9.173 23.846 ( 0.991 -0.474 3.354) 3.529 23.928 ( -2.867 -0.588 1.698) 3.384 24.060 ( 2.625 -2.390 -3.793) 5.195 24.135 ( -0.930 -3.543 -5.912) 6.955 26.036 ( 1.376 14.753 8.430) 17.047 26.091 ( -0.612 12.597 6.002) 13.967 26.250 ( 0.370 10.021 8.523) 13.161 26.292 ( -1.135 10.226 6.598) 12.222 104.243 ( 0.542 0.150 0.378) 0.678 104.256 ( 0.644 -0.228 -0.230) 0.721 104.296 ( -0.218 -1.221 0.645) 1.398 104.326 ( -0.906 -1.813 -0.747) 2.160 105.551 ( 0.206 -2.962 0.289) 2.983 105.560 ( -0.121 -3.023 -0.104) 3.027 105.585 ( 0.130 -3.602 0.129) 3.607 105.593 ( -0.182 -4.429 -0.258) 4.441 ======================= Grid point 252 (90/120) ======================= q-point: (-0.50 0.36 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.172 ( -0.519 6.332 7.396) 9.750 2.172 ( 0.519 6.332 7.396) 9.750 2.537 ( -1.627 -0.124 -5.287) 5.533 2.537 ( 1.627 -0.124 -5.287) 5.533 2.925 ( -0.800 8.395 7.214) 11.098 2.925 ( 0.800 8.395 7.214) 11.098 3.525 ( -0.578 -2.237 -12.483) 12.695 3.525 ( 0.578 -2.237 -12.483) 12.695 3.845 ( -2.366 1.008 1.616) 3.037 3.845 ( 2.366 1.008 1.616) 3.037 4.085 ( -1.264 -2.922 -5.725) 6.551 4.085 ( 1.264 -2.922 -5.725) 6.551 4.782 ( -2.300 16.200 4.879) 17.074 4.782 ( 2.300 16.200 4.879) 17.074 4.903 ( -2.571 12.469 0.477) 12.740 4.903 ( 2.571 12.469 0.477) 12.740 5.213 ( -0.583 0.925 -0.864) 1.394 5.213 ( 0.583 0.925 -0.864) 1.394 5.345 ( -0.507 -0.191 1.348) 1.453 5.345 ( 0.507 -0.191 1.348) 1.453 5.656 ( -1.718 10.961 0.962) 11.137 5.656 ( 1.718 10.961 0.962) 11.137 5.715 ( -2.980 7.248 -0.066) 7.837 5.715 ( 2.980 7.248 -0.066) 7.837 8.246 ( -0.199 4.202 0.192) 4.211 8.246 ( 0.199 4.202 0.192) 4.211 8.777 ( -1.149 -2.986 0.603) 3.256 8.777 ( 1.149 -2.986 0.603) 3.256 8.885 ( -0.968 0.525 -4.270) 4.410 8.885 ( 0.968 0.525 -4.270) 4.410 9.745 ( -1.621 -12.721 -3.335) 13.250 9.745 ( 1.621 -12.721 -3.335) 13.250 10.500 ( -2.471 11.624 3.322) 12.339 10.500 ( 2.471 11.624 3.322) 12.339 11.118 ( -0.379 -0.392 -12.832) 12.843 11.118 ( 0.379 -0.392 -12.832) 12.843 11.865 ( -0.179 4.940 2.447) 5.516 11.865 ( 0.179 4.940 2.447) 5.516 11.912 ( -1.033 -1.656 4.284) 4.707 11.912 ( 1.033 -1.655 4.284) 4.707 12.458 ( -0.226 -12.095 8.386) 14.719 12.458 ( 0.226 -12.095 8.386) 14.719 12.957 ( -0.184 -10.097 -10.073) 14.263 12.957 ( 0.184 -10.097 -10.073) 14.263 13.895 ( -0.368 7.515 7.293) 10.479 13.895 ( 0.368 7.515 7.293) 10.479 14.057 ( -0.110 1.790 0.187) 1.803 14.057 ( 0.110 1.790 0.187) 1.803 19.139 ( -7.257 14.628 9.575) 18.929 19.139 ( 7.257 14.628 9.575) 18.929 19.752 ( -4.400 3.518 -6.751) 8.793 19.752 ( 4.400 3.518 -6.751) 8.793 21.115 ( -1.135 -2.349 -6.626) 7.121 21.115 ( 1.135 -2.349 -6.626) 7.121 21.266 ( -0.306 -6.497 -7.452) 9.891 21.266 ( 0.306 -6.497 -7.452) 9.891 23.877 ( -2.094 -0.351 2.526) 3.300 23.877 ( 2.094 -0.351 2.526) 3.300 24.106 ( -1.874 -3.096 -4.893) 6.085 24.106 ( 1.874 -3.096 -4.893) 6.085 26.068 ( -1.571 13.709 7.636) 15.771 26.068 ( 1.571 13.709 7.636) 15.771 26.266 ( -1.232 10.101 7.177) 12.452 26.266 ( 1.232 10.101 7.177) 12.452 104.257 ( -0.600 -0.129 0.260) 0.667 104.257 ( 0.600 -0.129 0.260) 0.667 104.304 ( -1.050 -1.450 -0.246) 1.807 104.304 ( 1.050 -1.450 -0.246) 1.807 105.556 ( -0.258 -2.989 0.143) 3.003 105.556 ( 0.258 -2.989 0.143) 3.003 105.589 ( -0.247 -4.030 -0.119) 4.040 105.589 ( 0.247 -4.030 -0.119) 4.040 ======================= Grid point 255 (91/120) ======================= q-point: ( 0.00 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.260 ( 0.000 3.744 7.412) 8.304 2.307 ( 0.000 5.622 3.044) 6.393 2.475 ( 0.000 -5.471 -0.969) 5.556 2.489 ( 0.000 -2.350 -2.932) 3.757 3.112 ( 0.000 10.678 2.131) 10.888 3.143 ( 0.000 9.606 1.655) 9.747 3.444 ( 0.000 -4.559 -8.180) 9.365 3.463 ( 0.000 -5.137 -8.451) 9.890 3.858 ( 0.000 3.618 -0.127) 3.621 3.917 ( 0.000 0.403 0.435) 0.593 3.982 ( 0.000 -3.008 -5.439) 6.215 4.028 ( 0.000 -3.519 -4.733) 5.898 4.989 ( 0.000 6.916 1.228) 7.024 4.995 ( 0.000 10.523 3.245) 11.012 5.119 ( 0.000 4.054 0.980) 4.171 5.150 ( 0.000 2.666 -0.156) 2.670 5.174 ( 0.000 -0.460 0.192) 0.499 5.214 ( 0.000 4.456 0.952) 4.556 5.367 ( 0.000 1.523 2.599) 3.012 5.388 ( 0.000 -1.111 1.797) 2.113 5.767 ( 0.000 5.730 0.526) 5.754 5.786 ( 0.000 4.736 -0.219) 4.741 5.900 ( 0.000 6.854 0.809) 6.901 5.926 ( 0.000 4.705 -0.063) 4.705 8.310 ( 0.000 4.065 3.528) 5.382 8.321 ( 0.000 4.657 2.614) 5.340 8.638 ( 0.000 -6.230 6.406) 8.936 8.668 ( 0.000 -7.018 6.317) 9.442 9.024 ( 0.000 8.213 -9.172) 12.312 9.038 ( 0.000 10.753 -10.104) 14.755 9.450 ( 0.000 -11.678 -5.346) 12.844 9.529 ( 0.000 -12.302 -7.685) 14.505 10.674 ( 0.000 11.317 3.952) 11.987 10.789 ( 0.000 9.972 2.613) 10.309 11.060 ( 0.000 -5.459 -8.100) 9.768 11.085 ( 0.000 -3.554 -4.934) 6.081 11.792 ( 0.000 0.446 5.042) 5.061 11.817 ( 0.000 -0.290 4.048) 4.058 12.076 ( 0.000 0.679 0.831) 1.074 12.103 ( 0.000 0.383 0.368) 0.531 12.208 ( 0.000 -1.168 0.746) 1.386 12.258 ( 0.000 -0.024 -0.837) 0.837 12.716 ( 0.000 -12.471 -7.276) 14.438 12.734 ( 0.000 -11.831 -7.973) 14.267 13.987 ( 0.000 3.966 5.568) 6.836 14.043 ( 0.000 3.264 4.743) 5.758 14.077 ( 0.000 2.465 3.439) 4.231 14.123 ( 0.000 2.158 3.010) 3.704 19.298 ( 0.000 14.025 11.119) 17.898 19.581 ( 0.000 6.260 9.554) 11.422 19.650 ( 0.000 0.707 -3.203) 3.280 19.779 ( 0.000 -5.420 1.663) 5.669 21.068 ( 0.000 0.097 -7.955) 7.955 21.136 ( 0.000 -1.593 -9.366) 9.500 21.146 ( 0.000 -1.956 -12.262) 12.417 21.183 ( 0.000 -2.497 -8.423) 8.785 23.853 ( 0.000 2.228 1.338) 2.599 23.963 ( 0.000 -0.024 -0.041) 0.048 23.973 ( 0.000 -2.283 -3.808) 4.440 24.055 ( 0.000 -4.490 -5.423) 7.040 26.288 ( 0.000 10.198 7.947) 12.929 26.304 ( 0.000 7.726 7.064) 10.468 26.395 ( 0.000 4.200 9.353) 10.253 26.448 ( 0.000 3.428 6.894) 7.700 104.243 ( 0.000 0.176 0.234) 0.293 104.244 ( 0.000 -0.033 0.104) 0.109 104.281 ( 0.000 -0.477 0.174) 0.508 104.301 ( 0.000 -1.324 -0.660) 1.479 105.500 ( 0.000 -1.689 0.220) 1.703 105.506 ( 0.000 -2.085 -0.107) 2.088 105.530 ( 0.000 -1.811 0.061) 1.812 105.530 ( 0.000 -1.716 0.048) 1.717 ======================= Grid point 256 (92/120) ======================= q-point: ( 0.25 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.268 ( 0.738 4.103 6.654) 7.852 2.301 ( -0.576 5.488 3.549) 6.561 2.475 ( 0.091 -5.237 -1.205) 5.375 2.485 ( -0.297 -2.988 -2.598) 3.970 3.117 ( 0.477 10.520 2.099) 10.738 3.139 ( -0.368 9.783 1.773) 9.950 3.446 ( 0.229 -4.665 -8.301) 9.525 3.460 ( -0.298 -5.070 -8.482) 9.886 3.864 ( 0.584 3.345 -0.156) 3.399 3.903 ( -1.120 1.147 -0.072) 1.605 3.997 ( 1.094 -3.277 -4.905) 5.999 4.026 ( -0.233 -3.555 -4.710) 5.905 5.001 ( 1.198 7.284 1.407) 7.515 5.014 ( 1.464 9.315 2.206) 9.684 5.108 ( -0.809 4.921 1.545) 5.221 5.140 ( -1.096 4.233 0.340) 4.386 5.187 ( 1.198 -0.335 0.519) 1.348 5.219 ( 0.454 3.260 0.945) 3.425 5.344 ( -1.763 0.263 2.335) 2.938 5.367 ( -1.883 -0.813 1.605) 2.605 5.789 ( 2.125 5.901 0.525) 6.294 5.807 ( 1.918 5.008 -0.223) 5.368 5.885 ( -1.458 6.730 0.623) 6.914 5.905 ( -2.008 4.981 -0.007) 5.371 8.326 ( 1.342 4.657 3.820) 6.171 8.335 ( 1.107 5.146 3.214) 6.167 8.631 ( -0.455 -6.919 6.027) 9.188 8.654 ( -1.211 -7.413 5.961) 9.589 9.024 ( 0.062 8.619 -9.260) 12.651 9.034 ( -0.325 10.409 -9.910) 14.376 9.460 ( 0.967 -11.851 -5.782) 13.222 9.516 ( -1.213 -12.282 -7.431) 14.406 10.691 ( 1.621 11.104 3.875) 11.872 10.773 ( -1.533 10.173 2.990) 10.714 11.061 ( 0.170 -5.140 -7.693) 9.254 11.081 ( -0.467 -3.900 -5.483) 6.745 11.796 ( 0.411 0.412 4.776) 4.812 11.815 ( -0.290 -0.120 4.110) 4.122 12.078 ( 0.245 0.527 0.807) 0.994 12.098 ( -0.491 0.371 0.451) 0.763 12.217 ( 0.807 -0.968 0.485) 1.350 12.252 ( -0.573 -0.206 -0.636) 0.880 12.719 ( 0.271 -12.442 -7.341) 14.449 12.732 ( -0.228 -12.008 -7.833) 14.339 13.998 ( 1.068 4.221 5.700) 7.173 14.043 ( -0.332 4.631 5.851) 7.470 14.077 ( 0.288 1.183 2.406) 2.697 14.114 ( -0.821 1.874 2.839) 3.499 19.329 ( 2.994 13.407 10.553) 17.323 19.513 ( -4.922 8.555 7.719) 12.530 19.695 ( 2.754 -1.423 -0.419) 3.128 19.771 ( -0.830 -4.966 1.251) 5.188 21.076 ( 0.782 0.222 -8.272) 8.312 21.125 ( -1.112 -0.015 -10.061) 10.122 21.152 ( 0.674 -3.319 -10.501) 11.033 21.180 ( -0.345 -2.758 -9.078) 9.494 23.864 ( 1.005 2.188 0.976) 2.598 23.929 ( -1.932 0.773 -0.749) 2.211 24.002 ( 1.546 -3.040 -3.182) 4.664 24.049 ( -0.650 -4.417 -5.069) 6.755 26.293 ( 0.514 9.746 8.020) 12.632 26.307 ( 0.152 8.042 7.368) 10.908 26.398 ( 0.346 4.146 8.831) 9.761 26.437 ( -1.033 3.589 7.073) 7.998 104.246 ( 0.400 0.160 0.249) 0.498 104.253 ( 0.618 -0.080 -0.087) 0.629 104.277 ( -0.359 -0.534 0.226) 0.682 104.294 ( -0.642 -1.217 -0.541) 1.479 105.503 ( 0.309 -1.603 0.188) 1.644 105.509 ( 0.182 -1.885 -0.086) 1.895 105.527 ( -0.263 -1.894 0.098) 1.914 105.528 ( -0.216 -1.926 0.020) 1.938 ======================= Grid point 257 (93/120) ======================= q-point: (-0.50 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.286 ( -0.925 4.906 4.975) 7.048 2.286 ( 0.925 4.906 4.975) 7.048 2.479 ( -0.281 -4.312 -1.853) 4.702 2.479 ( 0.281 -4.312 -1.853) 4.702 3.129 ( -0.615 10.161 1.979) 10.370 3.129 ( 0.615 10.161 1.979) 10.370 3.452 ( -0.387 -4.887 -8.466) 9.783 3.452 ( 0.387 -4.887 -8.466) 9.783 3.880 ( -1.008 2.457 -0.218) 2.664 3.880 ( 1.008 2.457 -0.218) 2.664 4.016 ( -0.727 -3.541 -4.694) 5.925 4.016 ( 0.727 -3.541 -4.694) 5.925 5.026 ( -0.745 7.416 1.114) 7.536 5.026 ( 0.745 7.416 1.114) 7.536 5.110 ( -1.360 6.136 1.708) 6.513 5.110 ( 1.360 6.136 1.708) 6.513 5.215 ( -1.195 1.169 1.132) 2.019 5.215 ( 1.195 1.169 1.132) 2.019 5.331 ( -1.019 -0.871 1.527) 2.032 5.331 ( 1.019 -0.871 1.527) 2.032 5.842 ( -2.579 6.175 0.523) 6.712 5.842 ( 2.579 6.175 0.523) 6.712 5.855 ( -2.502 5.426 -0.128) 5.976 5.855 ( 2.502 5.426 -0.128) 5.976 8.347 ( -0.291 5.587 4.034) 6.897 8.347 ( 0.291 5.587 4.034) 6.897 8.631 ( -0.688 -7.848 5.549) 9.636 8.631 ( 0.688 -7.848 5.549) 9.636 9.027 ( -0.272 9.541 -9.526) 13.485 9.027 ( 0.272 9.541 -9.526) 13.485 9.486 ( -1.537 -12.143 -6.698) 13.953 9.486 ( 1.537 -12.143 -6.698) 13.953 10.733 ( -2.274 10.626 3.569) 11.438 10.733 ( 2.274 10.626 3.569) 11.438 11.069 ( -0.573 -4.527 -6.648) 8.063 11.069 ( 0.573 -4.527 -6.648) 8.063 11.806 ( -0.517 0.216 4.344) 4.380 11.806 ( 0.517 0.216 4.344) 4.380 12.086 ( -0.582 0.366 0.657) 0.951 12.086 ( 0.582 0.366 0.657) 0.951 12.236 ( -0.959 -0.580 -0.104) 1.125 12.236 ( 0.959 -0.580 -0.104) 1.125 12.726 ( -0.364 -12.300 -7.550) 14.437 12.726 ( 0.364 -12.300 -7.550) 14.437 14.024 ( -1.329 4.818 6.037) 7.837 14.024 ( 1.329 4.818 6.037) 7.837 14.093 ( -1.122 1.163 2.380) 2.876 14.093 ( 1.122 1.163 2.380) 2.876 19.411 ( -4.874 11.538 9.102) 15.483 19.411 ( 4.874 11.538 9.102) 15.483 19.743 ( -1.915 -3.751 0.436) 4.234 19.743 ( 1.915 -3.751 0.436) 4.234 21.098 ( -1.334 0.332 -9.123) 9.226 21.098 ( 1.334 0.332 -9.123) 9.226 21.168 ( -0.792 -3.228 -9.786) 10.335 21.168 ( 0.792 -3.228 -9.786) 10.335 23.892 ( -1.706 1.828 0.123) 2.503 23.892 ( 1.706 1.828 0.123) 2.503 24.030 ( -1.184 -4.039 -4.180) 5.933 24.030 ( 1.184 -4.039 -4.180) 5.933 26.304 ( -0.432 8.832 7.936) 11.881 26.304 ( 0.432 8.832 7.936) 11.881 26.413 ( -1.140 3.914 7.726) 8.736 26.413 ( 1.140 3.914 7.726) 8.736 104.257 ( -0.450 0.139 0.072) 0.476 104.257 ( 0.450 0.139 0.072) 0.476 104.279 ( -0.721 -0.981 -0.150) 1.227 104.279 ( 0.721 -0.981 -0.150) 1.227 105.509 ( -0.210 -1.452 0.060) 1.469 105.509 ( 0.210 -1.452 0.060) 1.469 105.524 ( -0.103 -2.205 0.049) 2.208 105.524 ( 0.103 -2.205 0.049) 2.208 ======================= Grid point 260 (94/120) ======================= q-point: ( 0.00 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.346 ( 0.000 -4.050 3.501) 5.354 2.346 ( 0.000 4.050 3.501) 5.354 2.424 ( 0.000 -3.134 0.216) 3.141 2.424 ( 0.000 3.134 0.216) 3.141 3.298 ( 0.000 -2.888 -3.057) 4.205 3.298 ( 0.000 2.888 -3.057) 4.205 3.341 ( 0.000 -2.600 -3.384) 4.267 3.341 ( 0.000 2.600 -3.384) 4.267 3.920 ( 0.000 -2.640 -3.248) 4.186 3.920 ( 0.000 2.640 -3.248) 4.186 3.958 ( 0.000 -3.220 -2.289) 3.951 3.958 ( 0.000 3.220 -2.289) 3.951 5.081 ( 0.000 -1.789 0.657) 1.905 5.081 ( 0.000 1.789 0.657) 1.905 5.157 ( 0.000 -1.023 0.354) 1.083 5.157 ( 0.000 1.023 0.354) 1.083 5.220 ( 0.000 -4.005 1.424) 4.250 5.220 ( 0.000 4.005 1.424) 4.250 5.388 ( 0.000 -0.293 2.706) 2.722 5.388 ( 0.000 0.293 2.706) 2.722 5.830 ( 0.000 -0.454 0.091) 0.463 5.830 ( 0.000 0.454 0.091) 0.463 5.976 ( 0.000 -0.410 0.273) 0.492 5.976 ( 0.000 0.410 0.273) 0.492 8.378 ( 0.000 -0.843 3.560) 3.659 8.378 ( 0.000 0.843 3.560) 3.659 8.567 ( 0.000 -1.201 7.870) 7.961 8.567 ( 0.000 1.201 7.870) 7.961 9.212 ( 0.000 -7.914 -9.076) 12.042 9.212 ( 0.000 7.914 -9.076) 12.042 9.284 ( 0.000 -9.481 -8.924) 13.020 9.284 ( 0.000 9.481 -8.924) 13.020 10.891 ( 0.000 -8.560 -0.399) 8.570 10.891 ( 0.000 8.560 -0.399) 8.570 10.977 ( 0.000 -6.098 0.926) 6.168 10.977 ( 0.000 6.098 0.926) 6.168 11.880 ( 0.000 -2.416 3.010) 3.860 11.880 ( 0.000 2.416 3.010) 3.860 11.930 ( 0.000 -1.602 1.560) 2.236 11.930 ( 0.000 1.603 1.560) 2.237 12.435 ( 0.000 -8.807 -6.199) 10.771 12.435 ( 0.000 8.808 -6.199) 10.771 12.479 ( 0.000 -8.391 -5.128) 9.834 12.479 ( 0.000 8.391 -5.128) 9.834 14.045 ( 0.000 -1.603 3.895) 4.212 14.045 ( 0.000 1.604 3.895) 4.212 14.133 ( 0.000 -1.321 4.818) 4.996 14.133 ( 0.000 1.321 4.818) 4.996 19.550 ( 0.000 -9.828 6.512) 11.790 19.550 ( 0.000 9.828 6.512) 11.790 19.682 ( 0.000 -3.814 5.391) 6.604 19.682 ( 0.000 3.814 5.391) 6.604 21.087 ( 0.000 -1.654 -9.561) 9.703 21.087 ( 0.000 1.654 -9.561) 9.703 21.151 ( 0.000 -0.816 -10.957) 10.987 21.151 ( 0.000 0.816 -10.957) 10.987 23.916 ( 0.000 -3.312 -1.287) 3.553 23.916 ( 0.000 3.312 -1.287) 3.553 23.981 ( 0.000 -2.126 -3.340) 3.959 23.981 ( 0.000 2.126 -3.340) 3.959 26.403 ( 0.000 -1.123 8.333) 8.408 26.403 ( 0.000 1.123 8.333) 8.408 26.448 ( 0.000 -2.816 7.525) 8.034 26.448 ( 0.000 2.816 7.525) 8.034 104.245 ( 0.000 -0.025 0.252) 0.254 104.245 ( 0.000 0.025 0.252) 0.254 104.282 ( 0.000 -0.512 -0.363) 0.628 104.282 ( 0.000 0.512 -0.363) 0.628 105.483 ( 0.000 -0.135 0.092) 0.164 105.483 ( 0.000 0.135 0.092) 0.164 105.512 ( 0.000 -0.020 0.037) 0.042 105.512 ( 0.000 0.020 0.037) 0.042 ======================= Grid point 262 (95/120) ======================= q-point: ( 0.25 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.357 ( 1.022 -3.875 2.972) 4.989 2.357 ( 1.022 3.875 2.972) 4.989 2.412 ( -1.119 -3.230 0.650) 3.479 2.412 ( -1.119 3.230 0.650) 3.479 3.304 ( 0.576 -2.926 -3.105) 4.305 3.304 ( 0.576 2.926 -3.105) 4.305 3.335 ( -0.611 -2.711 -3.336) 4.342 3.335 ( -0.611 2.711 -3.336) 4.342 3.928 ( 0.663 -2.779 -3.123) 4.233 3.928 ( 0.663 2.779 -3.123) 4.233 3.955 ( -0.393 -3.169 -2.441) 4.019 3.955 ( -0.393 3.169 -2.441) 4.020 5.093 ( 1.164 -1.780 0.491) 2.183 5.093 ( 1.164 1.780 0.491) 2.183 5.148 ( -0.952 -1.312 0.264) 1.642 5.148 ( -0.952 1.312 0.264) 1.642 5.237 ( 1.799 -3.245 1.792) 4.120 5.237 ( 1.799 3.245 1.792) 4.120 5.357 ( -2.813 -1.045 2.604) 3.973 5.357 ( -2.813 1.045 2.604) 3.973 5.855 ( 2.287 -0.424 0.106) 2.328 5.855 ( 2.287 0.424 0.106) 2.328 5.958 ( -1.737 -0.271 0.242) 1.774 5.958 ( -1.737 0.271 0.242) 1.774 8.408 ( 2.803 -0.897 4.227) 5.151 8.408 ( 2.803 0.897 4.227) 5.151 8.542 ( -2.421 -1.159 7.283) 7.762 8.542 ( -2.421 1.159 7.283) 7.762 9.220 ( 0.859 -8.130 -9.084) 12.221 9.220 ( 0.859 8.130 -9.084) 12.221 9.272 ( -1.150 -9.238 -8.977) 12.932 9.272 ( -1.150 9.238 -8.977) 12.932 10.902 ( 1.128 -8.239 -0.149) 8.318 10.902 ( 1.128 8.239 -0.149) 8.318 10.963 ( -1.251 -6.510 0.790) 6.676 10.963 ( -1.251 6.510 0.790) 6.676 11.888 ( 0.726 -2.424 2.697) 3.698 11.888 ( 0.726 2.424 2.697) 3.698 11.923 ( -0.663 -1.930 1.673) 2.639 11.923 ( -0.663 1.930 1.673) 2.639 12.441 ( 0.578 -8.733 -5.989) 10.605 12.441 ( 0.578 8.733 -5.989) 10.605 12.472 ( -0.635 -8.439 -5.239) 9.953 12.472 ( -0.635 8.439 -5.239) 9.953 14.059 ( 1.279 -1.560 4.040) 4.516 14.059 ( 1.279 1.560 4.040) 4.516 14.121 ( -1.153 -1.360 4.692) 5.020 14.121 ( -1.153 1.360 4.692) 5.020 19.569 ( 1.828 -9.261 6.356) 11.380 19.569 ( 1.828 9.261 6.356) 11.380 19.663 ( -1.832 -5.278 5.563) 7.885 19.663 ( -1.832 5.278 5.563) 7.885 21.097 ( 0.900 -1.653 -9.751) 9.931 21.097 ( 0.900 1.653 -9.751) 9.931 21.142 ( -0.863 -1.106 -10.737) 10.829 21.142 ( -0.863 1.106 -10.737) 10.829 23.926 ( 0.904 -3.175 -1.611) 3.673 23.926 ( 0.904 3.175 -1.611) 3.673 23.972 ( -0.888 -2.348 -3.062) 3.960 23.972 ( -0.888 2.348 -3.062) 3.960 26.409 ( 0.609 -1.305 8.218) 8.343 26.409 ( 0.609 1.305 8.218) 8.343 26.441 ( -0.634 -2.532 7.647) 8.080 26.441 ( -0.634 2.532 7.647) 8.080 104.250 ( 0.514 -0.201 0.162) 0.575 104.250 ( 0.514 0.201 0.162) 0.575 104.276 ( -0.510 -0.475 -0.274) 0.749 104.276 ( -0.510 0.475 -0.274) 0.749 105.487 ( 0.408 -0.122 0.084) 0.434 105.487 ( 0.408 0.122 0.084) 0.434 105.508 ( -0.405 -0.046 0.045) 0.410 105.508 ( -0.405 0.046 0.045) 0.410 ======================= Grid point 264 (96/120) ======================= q-point: (-0.50 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.384 ( -1.222 -4.668 1.764) 5.137 2.384 ( 1.003 -4.654 1.764) 5.077 2.384 ( -1.003 4.655 1.764) 5.077 2.384 ( 1.222 4.668 1.764) 5.137 3.319 ( -0.344 -7.935 -3.220) 8.570 3.319 ( 0.267 -7.934 -3.220) 8.567 3.319 ( -0.267 7.934 -3.220) 8.567 3.319 ( 0.344 7.935 -3.220) 8.570 3.943 ( -0.667 -3.424 -2.796) 4.471 3.943 ( 0.630 -3.422 -2.796) 4.464 3.943 ( -0.630 3.422 -2.796) 4.464 3.943 ( 0.667 3.424 -2.796) 4.471 5.122 ( -1.181 -2.511 0.272) 2.788 5.122 ( 0.636 -2.461 0.272) 2.556 5.122 ( -0.636 2.461 0.272) 2.556 5.122 ( 1.181 2.511 0.272) 2.788 5.291 ( -2.668 -3.319 2.309) 4.844 5.291 ( 0.501 -3.049 2.309) 3.857 5.291 ( -0.501 3.049 2.309) 3.857 5.291 ( 2.668 3.319 2.309) 4.844 5.910 ( -2.827 -0.301 0.166) 2.848 5.910 ( -2.785 0.180 0.166) 2.796 5.910 ( 2.785 -0.180 0.166) 2.796 5.910 ( 2.827 0.302 0.166) 2.848 8.477 ( -1.434 -6.731 5.794) 8.997 8.477 ( -0.438 -6.696 5.794) 8.866 8.477 ( 0.438 6.696 5.794) 8.866 8.477 ( 1.434 6.731 5.794) 8.997 9.244 ( -1.140 -11.175 -9.060) 14.431 9.244 ( 1.067 -11.174 -9.060) 14.424 9.244 ( -1.067 11.174 -9.060) 14.424 9.244 ( 1.140 11.175 -9.060) 14.431 10.932 ( -1.513 -8.401 0.377) 8.544 10.932 ( 1.437 -8.398 0.377) 8.528 10.932 ( -1.437 8.398 0.377) 8.528 10.932 ( 1.513 8.401 0.377) 8.544 11.906 ( -0.305 -8.790 2.086) 9.040 11.906 ( 0.206 -8.789 2.086) 9.036 11.906 ( -0.206 8.790 2.086) 9.036 11.906 ( 0.305 8.790 2.086) 9.040 12.456 ( -0.568 -13.389 -5.564) 14.510 12.456 ( 0.535 -13.388 -5.564) 14.508 12.456 ( -0.535 13.388 -5.564) 14.508 12.456 ( 0.568 13.389 -5.564) 14.510 14.091 ( -1.657 -1.567 4.376) 4.935 14.091 ( 1.201 -1.459 4.376) 4.767 14.091 ( -1.201 1.459 4.376) 4.767 14.091 ( 1.657 1.567 4.376) 4.935 19.616 ( -2.446 -8.204 5.967) 10.435 19.616 ( 2.327 -8.195 5.967) 10.401 19.616 ( -2.327 8.196 5.967) 10.401 19.616 ( 2.446 8.204 5.967) 10.435 21.120 ( -1.184 -1.640 -10.230) 10.428 21.120 ( 0.979 -1.606 -10.230) 10.401 21.120 ( -0.979 1.606 -10.230) 10.401 21.120 ( 1.184 1.640 -10.230) 10.428 23.949 ( -1.069 -3.535 -2.360) 4.382 23.949 ( 0.893 -3.522 -2.360) 4.333 23.949 ( -0.893 3.522 -2.360) 4.333 23.949 ( 1.069 3.535 -2.360) 4.382 26.425 ( -0.671 -2.697 7.936) 8.409 26.425 ( 0.520 -2.689 7.936) 8.395 26.425 ( -0.520 2.689 7.936) 8.395 26.425 ( 0.671 2.697 7.936) 8.409 104.263 ( -0.646 -0.493 -0.057) 0.815 104.263 ( 0.009 -0.373 -0.057) 0.377 104.263 ( -0.009 0.373 -0.057) 0.377 104.263 ( 0.646 0.493 -0.057) 0.815 105.498 ( -0.438 -0.274 0.064) 0.520 105.498 ( -0.304 -0.224 0.064) 0.383 105.498 ( 0.304 0.224 0.064) 0.383 105.498 ( 0.438 0.274 0.064) 0.520 ======================= Grid point 300 (97/120) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( 0.000 0.000 -12.177) 12.177 1.524 ( 0.000 0.000 12.177) 12.177 2.174 ( 0.000 0.000 -2.714) 2.714 2.174 ( 0.000 0.000 2.714) 2.714 2.187 ( 0.000 0.000 -15.524) 15.524 2.187 ( 0.000 0.000 15.524) 15.524 2.376 ( 0.000 0.000 -10.650) 10.650 2.376 ( 0.000 0.000 10.650) 10.650 3.564 ( 0.000 0.000 -4.496) 4.496 3.564 ( 0.000 0.000 4.496) 4.496 3.649 ( 0.000 0.000 -13.229) 13.229 3.649 ( 0.000 0.000 13.229) 13.229 3.818 ( 0.000 0.000 -3.856) 3.856 3.818 ( 0.000 0.000 3.856) 3.856 3.987 ( 0.000 0.000 -10.767) 10.767 3.987 ( 0.000 0.000 10.767) 10.767 4.192 ( 0.000 0.000 -7.148) 7.148 4.192 ( 0.000 0.000 7.148) 7.148 4.291 ( 0.000 0.000 -9.286) 9.286 4.291 ( 0.000 0.000 9.286) 9.286 5.623 ( 0.000 0.000 -2.605) 2.605 5.623 ( 0.000 0.000 2.605) 2.605 6.027 ( 0.000 0.000 -0.304) 0.304 6.027 ( 0.000 0.000 0.304) 0.304 7.970 ( 0.000 0.000 -0.002) 0.002 7.970 ( 0.000 0.000 0.002) 0.002 9.243 ( 0.000 0.000 -0.357) 0.357 9.243 ( 0.000 0.000 0.357) 0.357 9.538 ( 0.000 0.000 -2.346) 2.346 9.538 ( 0.000 0.000 2.346) 2.346 9.950 ( 0.000 0.000 -0.367) 0.367 9.950 ( 0.000 0.000 0.367) 0.367 10.511 ( 0.000 0.000 -4.973) 4.973 10.511 ( 0.000 0.000 4.973) 4.973 11.277 ( 0.000 0.000 -2.766) 2.766 11.277 ( 0.000 0.000 2.766) 2.766 11.381 ( 0.000 0.000 -0.075) 0.075 11.381 ( 0.000 0.000 0.075) 0.075 11.497 ( 0.000 0.000 -1.780) 1.780 11.497 ( 0.000 0.000 1.780) 1.780 12.892 ( 0.000 0.000 -4.108) 4.108 12.892 ( 0.000 0.000 4.108) 4.108 13.022 ( 0.000 0.000 -1.068) 1.068 13.022 ( 0.000 0.000 1.068) 1.068 13.972 ( 0.000 0.000 -5.961) 5.961 13.972 ( 0.000 0.000 5.961) 5.961 14.263 ( 0.000 0.000 -4.359) 4.359 14.263 ( 0.000 0.000 4.359) 4.359 17.348 ( 0.000 0.000 -1.151) 1.151 17.348 ( 0.000 0.000 1.151) 1.151 18.053 ( 0.000 0.000 -0.943) 0.943 18.053 ( 0.000 0.000 0.943) 0.943 22.470 ( 0.000 0.000 -2.176) 2.176 22.470 ( 0.000 0.000 2.176) 2.176 22.762 ( 0.000 0.000 -1.726) 1.726 22.762 ( 0.000 0.000 1.726) 1.726 23.432 ( 0.000 0.000 -2.326) 2.326 23.432 ( 0.000 0.000 2.326) 2.326 23.770 ( 0.000 0.000 -19.072) 19.072 23.770 ( 0.000 0.000 19.072) 19.072 24.880 ( 0.000 0.000 -1.941) 1.941 24.880 ( 0.000 0.000 1.941) 1.941 25.108 ( 0.000 0.000 -1.163) 1.163 25.108 ( 0.000 0.000 1.163) 1.163 104.248 ( 0.000 0.000 -1.284) 1.284 104.248 ( 0.000 0.000 1.284) 1.284 104.499 ( 0.000 0.000 -0.876) 0.876 104.499 ( 0.000 0.000 0.876) 0.876 105.862 ( 0.000 0.000 -0.175) 0.175 105.862 ( 0.000 0.000 0.175) 0.175 106.094 ( 0.000 0.000 -5.297) 5.297 106.094 ( 0.000 0.000 5.297) 5.297 ======================= Grid point 302 (98/120) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( 3.013 0.000 -9.400) 9.871 1.561 ( 3.013 0.000 9.400) 9.871 2.144 ( -2.498 0.000 -3.667) 4.436 2.144 ( -2.498 0.000 3.667) 4.436 2.197 ( 0.829 0.000 -12.278) 12.306 2.197 ( 0.829 0.000 12.278) 12.306 2.363 ( -1.085 0.000 -8.857) 8.923 2.363 ( -1.085 0.000 8.857) 8.923 3.573 ( 0.735 0.000 -3.359) 3.438 3.573 ( 0.735 0.000 3.359) 3.438 3.660 ( 0.898 0.000 -9.751) 9.792 3.660 ( 0.898 0.000 9.751) 9.792 3.812 ( -0.510 0.000 -2.907) 2.951 3.812 ( -0.510 0.000 2.907) 2.951 3.981 ( -0.532 0.000 -7.836) 7.854 3.981 ( -0.532 0.000 7.836) 7.854 4.189 ( -0.161 0.000 -5.349) 5.352 4.189 ( -0.161 0.000 5.349) 5.352 4.285 ( -0.453 0.000 -7.093) 7.107 4.285 ( -0.453 0.000 7.093) 7.107 5.654 ( 2.598 0.000 -2.421) 3.551 5.654 ( 2.598 0.000 2.421) 3.551 5.995 ( -2.691 0.000 -1.761) 3.216 5.995 ( -2.691 0.000 1.761) 3.216 7.971 ( 0.035 0.000 -0.002) 0.035 7.971 ( 0.035 0.000 0.002) 0.035 9.243 ( -0.014 0.000 -0.253) 0.253 9.243 ( -0.014 0.000 0.253) 0.253 9.551 ( 0.959 0.000 -1.723) 1.972 9.551 ( 0.959 0.000 1.723) 1.972 9.950 ( -0.005 0.000 -0.260) 0.260 9.950 ( -0.005 0.000 0.260) 0.260 10.508 ( -0.231 0.000 -3.556) 3.564 10.508 ( -0.231 0.000 3.556) 3.564 11.279 ( 0.164 0.000 -2.020) 2.027 11.279 ( 0.164 0.000 2.020) 2.027 11.381 ( 0.000 0.000 -0.053) 0.053 11.381 ( 0.000 0.000 0.053) 0.053 11.492 ( -0.419 0.000 -1.221) 1.291 11.492 ( -0.419 0.000 1.221) 1.291 12.902 ( 0.946 0.000 -3.498) 3.624 12.902 ( 0.946 0.000 3.498) 3.624 13.007 ( -1.245 0.000 -1.607) 2.032 13.007 ( -1.245 0.000 1.607) 2.032 13.983 ( 0.856 0.000 -4.509) 4.590 13.983 ( 0.856 0.000 4.509) 4.590 14.254 ( -0.663 0.000 -3.413) 3.477 14.254 ( -0.663 0.000 3.413) 3.477 17.347 ( -0.012 0.000 -0.814) 0.814 17.347 ( -0.012 0.000 0.814) 0.814 18.053 ( 0.007 0.000 -0.667) 0.667 18.053 ( 0.007 0.000 0.667) 0.667 22.470 ( 0.015 0.000 -1.540) 1.540 22.470 ( 0.015 0.000 1.540) 1.540 22.762 ( -0.013 0.000 -1.222) 1.222 22.762 ( -0.013 0.000 1.222) 1.222 23.476 ( 4.169 0.000 -4.685) 6.272 23.476 ( 4.169 0.000 4.685) 6.272 23.716 ( -5.048 0.000 -16.275) 17.040 23.716 ( -5.048 0.000 16.275) 17.040 24.876 ( -0.304 0.000 -1.411) 1.443 24.876 ( -0.304 0.000 1.411) 1.443 25.096 ( -0.887 0.000 -1.060) 1.382 25.096 ( -0.887 0.000 1.060) 1.382 104.273 ( 2.105 0.000 -1.381) 2.517 104.273 ( 2.105 0.000 1.381) 2.517 104.480 ( -1.648 0.000 -1.140) 2.004 104.480 ( -1.648 0.000 1.140) 2.004 105.896 ( 3.051 0.000 -1.147) 3.259 105.896 ( 3.051 0.000 1.147) 3.259 106.067 ( -2.462 0.000 -4.687) 5.294 106.067 ( -2.462 0.000 4.687) 5.294 ======================= Grid point 304 (99/120) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( 0.000 0.000 0.000) 0.000 1.602 ( 0.000 0.000 0.000) 0.000 2.110 ( 0.000 0.000 0.000) 0.000 2.110 ( 0.000 0.000 0.000) 0.000 2.209 ( 0.000 0.000 -0.000) 0.000 2.209 ( 0.000 0.000 0.000) 0.000 2.348 ( 0.000 0.000 -0.000) 0.000 2.348 ( 0.000 0.000 0.000) 0.000 3.583 ( 0.000 0.000 -0.000) 0.000 3.583 ( 0.000 0.000 0.000) 0.000 3.672 ( 0.000 0.000 -0.000) 0.000 3.672 ( -0.000 0.000 -0.000) 0.000 3.805 ( 0.000 0.000 -0.000) 0.000 3.805 ( 0.000 0.000 0.000) 0.000 3.974 ( 0.000 0.000 0.000) 0.000 3.974 ( -0.000 0.000 0.000) 0.000 4.188 ( 0.000 0.000 -0.000) 0.000 4.188 ( 0.000 0.000 0.000) 0.000 4.279 ( -0.000 0.000 0.000) 0.000 4.279 ( 0.000 0.000 0.000) 0.000 5.691 ( -0.000 0.000 0.000) 0.000 5.691 ( 0.000 0.000 0.000) 0.000 5.957 ( 0.000 0.000 0.000) 0.000 5.957 ( 0.000 0.000 0.000) 0.000 7.971 ( 0.000 0.000 0.000) 0.000 7.971 ( 0.000 0.000 0.000) 0.000 9.243 ( 0.000 0.000 0.000) 0.000 9.243 ( 0.000 0.000 0.000) 0.000 9.563 ( 0.000 0.000 0.000) 0.000 9.563 ( 0.000 0.000 0.000) 0.000 9.950 ( 0.000 0.000 0.000) 0.000 9.950 ( 0.000 0.000 0.000) 0.000 10.505 ( 0.000 0.000 0.000) 0.000 10.505 ( 0.000 0.000 0.000) 0.000 11.281 ( 0.000 0.000 0.000) 0.000 11.281 ( 0.000 0.000 0.000) 0.000 11.381 ( 0.000 0.000 0.000) 0.000 11.381 ( 0.000 0.000 0.000) 0.000 11.487 ( 0.000 0.000 0.000) 0.000 11.487 ( 0.000 0.000 0.000) 0.000 12.917 ( 0.000 0.000 -0.000) 0.000 12.917 ( 0.000 0.000 0.000) 0.000 12.989 ( 0.000 0.000 0.000) 0.000 12.989 ( 0.000 0.000 0.000) 0.000 13.994 ( -0.000 0.000 0.000) 0.000 13.994 ( 0.000 0.000 0.000) 0.000 14.246 ( -0.000 0.000 -0.000) 0.000 14.246 ( 0.000 0.000 -0.000) 0.000 17.347 ( -0.000 0.000 0.000) 0.000 17.347 ( 0.000 0.000 0.000) 0.000 18.053 ( 0.000 0.000 0.000) 0.000 18.053 ( 0.000 0.000 0.000) 0.000 22.470 ( 0.000 0.000 0.000) 0.000 22.470 ( 0.000 0.000 0.000) 0.000 22.762 ( 0.000 0.000 -0.000) 0.000 22.762 ( 0.000 0.000 0.000) 0.000 23.578 ( -0.000 0.000 0.000) 0.000 23.578 ( 0.000 0.000 0.000) 0.000 23.602 ( -0.000 0.000 -0.000) 0.000 23.602 ( 0.000 0.000 0.000) 0.000 24.872 ( 0.000 0.000 0.000) 0.000 24.872 ( -0.000 0.000 0.000) 0.000 25.085 ( 0.000 0.000 0.000) 0.000 25.085 ( 0.000 0.000 0.000) 0.000 104.303 ( 0.000 0.000 0.000) 0.000 104.303 ( 0.000 0.000 0.000) 0.000 104.455 ( 0.000 0.000 0.000) 0.000 104.455 ( 0.000 0.000 0.000) 0.000 105.949 ( 0.000 0.000 0.000) 0.000 105.949 ( 0.000 0.000 0.000) 0.000 106.022 ( 0.000 0.000 0.000) 0.000 106.022 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 310 (100/120) ======================= q-point: ( 0.00 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( 0.000 2.929 -10.365) 10.770 1.545 ( 0.000 2.929 10.365) 10.770 2.143 ( 0.000 0.278 -3.109) 3.121 2.143 ( 0.000 0.278 3.109) 3.122 2.371 ( 0.000 14.159 -13.230) 19.378 2.371 ( 0.000 14.159 13.230) 19.378 2.577 ( 0.000 16.593 -10.215) 19.485 2.577 ( 0.000 16.593 10.215) 19.485 3.646 ( 0.000 3.701 -8.399) 9.179 3.646 ( 0.000 3.701 8.399) 9.179 3.729 ( 0.000 11.208 -8.495) 14.063 3.729 ( 0.000 11.208 8.495) 14.063 3.915 ( 0.000 6.565 -3.151) 7.282 3.915 ( 0.000 6.565 3.151) 7.282 3.985 ( 0.000 0.259 -8.016) 8.020 3.985 ( 0.000 0.259 8.016) 8.020 4.235 ( 0.000 5.584 -5.267) 7.676 4.235 ( 0.000 5.584 5.267) 7.676 4.299 ( 0.000 1.536 -8.588) 8.724 4.299 ( 0.000 1.536 8.588) 8.724 5.616 ( 0.000 -0.644 -2.429) 2.513 5.616 ( 0.000 -0.644 2.429) 2.513 5.969 ( 0.000 -5.240 -0.372) 5.254 5.969 ( 0.000 -5.240 0.372) 5.254 7.970 ( 0.000 0.077 -0.236) 0.248 7.970 ( 0.000 0.077 0.236) 0.248 9.145 ( 0.000 -8.523 -0.066) 8.523 9.145 ( 0.000 -8.523 0.066) 8.523 9.608 ( 0.000 6.080 -2.677) 6.643 9.608 ( 0.000 6.080 2.677) 6.643 9.805 ( 0.000 -11.394 -0.014) 11.394 9.805 ( 0.000 -11.394 0.014) 11.394 10.599 ( 0.000 6.665 -3.631) 7.590 10.599 ( 0.000 6.665 3.631) 7.590 11.027 ( 0.000 -17.933 -4.993) 18.615 11.027 ( 0.000 -17.933 4.993) 18.615 11.347 ( 0.000 4.405 -3.338) 5.527 11.347 ( 0.000 4.405 3.338) 5.527 11.857 ( 0.000 19.651 -2.611) 19.823 11.857 ( 0.000 19.651 2.611) 19.823 12.898 ( 0.000 -2.531 -3.451) 4.279 12.898 ( 0.000 -2.531 3.451) 4.279 13.028 ( 0.000 3.710 -1.014) 3.846 13.028 ( 0.000 3.710 1.014) 3.846 13.906 ( 0.000 -6.196 -5.050) 7.993 13.906 ( 0.000 -6.196 5.050) 7.993 14.233 ( 0.000 -2.685 -3.942) 4.769 14.233 ( 0.000 -2.685 3.942) 4.769 17.524 ( 0.000 16.036 -4.511) 16.659 17.524 ( 0.000 16.036 4.511) 16.659 18.210 ( 0.000 14.400 -3.104) 14.731 18.210 ( 0.000 14.400 3.104) 14.731 22.228 ( 0.000 -19.146 -2.552) 19.315 22.228 ( 0.000 -19.146 2.552) 19.315 22.529 ( 0.000 -18.428 -3.858) 18.828 22.529 ( 0.000 -18.428 3.858) 18.828 23.634 ( 0.000 14.164 -0.867) 14.190 23.634 ( 0.000 14.164 0.867) 14.190 23.909 ( 0.000 9.976 -13.442) 16.740 23.909 ( 0.000 9.976 13.442) 16.740 24.935 ( 0.000 5.650 -0.225) 5.655 24.935 ( 0.000 5.650 0.225) 5.655 25.172 ( 0.000 6.533 -1.158) 6.635 25.172 ( 0.000 6.533 1.158) 6.635 104.247 ( 0.000 -0.114 -1.228) 1.233 104.247 ( 0.000 -0.114 1.228) 1.233 104.485 ( 0.000 -1.273 -1.044) 1.646 104.485 ( 0.000 -1.273 1.044) 1.646 105.840 ( 0.000 -2.004 -0.227) 2.017 105.840 ( 0.000 -2.004 0.227) 2.017 106.055 ( 0.000 -3.628 -4.868) 6.071 106.055 ( 0.000 -3.628 4.868) 6.071 ======================= Grid point 312 (101/120) ======================= q-point: ( 0.25 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( 2.728 2.677 -7.973) 8.842 1.578 ( 2.728 2.677 7.973) 8.842 2.118 ( -2.135 0.318 -3.067) 3.750 2.118 ( -2.135 0.318 3.067) 3.750 2.382 ( 0.964 14.278 -10.831) 17.947 2.382 ( 0.964 14.278 10.831) 17.947 2.559 ( -1.544 16.415 -8.713) 18.648 2.559 ( -1.544 16.415 8.713) 18.648 3.660 ( 1.266 3.585 -6.631) 7.643 3.660 ( 1.266 3.585 6.631) 7.643 3.720 ( -0.848 9.725 -6.309) 11.623 3.720 ( -0.848 9.725 6.309) 11.623 3.933 ( 1.355 9.124 -2.487) 9.553 3.933 ( 1.355 9.124 2.487) 9.553 3.982 ( -0.259 0.370 -6.354) 6.370 3.982 ( -0.259 0.370 6.354) 6.370 4.224 ( -0.874 4.627 -3.850) 6.083 4.224 ( -0.874 4.627 3.850) 6.083 4.296 ( -0.279 1.866 -6.175) 6.457 4.296 ( -0.279 1.866 6.175) 6.457 5.642 ( 2.128 -1.166 -2.265) 3.319 5.642 ( 2.128 -1.166 2.265) 3.319 5.939 ( -2.475 -5.012 -1.722) 5.849 5.939 ( -2.475 -5.012 1.722) 5.849 7.972 ( 0.108 0.151 -0.164) 0.248 7.972 ( 0.108 0.151 0.164) 0.248 9.147 ( 0.117 -8.462 -0.054) 8.463 9.147 ( 0.117 -8.462 0.054) 8.463 9.617 ( 0.727 5.962 -1.973) 6.321 9.617 ( 0.727 5.962 1.973) 6.321 9.803 ( -0.147 -11.567 -0.129) 11.569 9.803 ( -0.147 -11.567 0.129) 11.569 10.597 ( -0.105 6.791 -2.585) 7.267 10.597 ( -0.105 6.791 2.585) 7.267 11.029 ( 0.144 -18.103 -3.609) 18.459 11.029 ( 0.144 -18.103 3.609) 18.459 11.343 ( -0.279 4.527 -2.421) 5.141 11.343 ( -0.279 4.527 2.421) 5.141 11.855 ( -0.113 19.683 -1.842) 19.769 11.855 ( -0.113 19.683 1.842) 19.769 12.910 ( 1.118 -3.274 -3.039) 4.605 12.910 ( 1.118 -3.274 3.039) 4.605 13.011 ( -1.501 4.360 -1.504) 4.850 13.011 ( -1.501 4.360 1.504) 4.850 13.918 ( 0.897 -6.128 -3.796) 7.264 13.918 ( 0.897 -6.128 3.796) 7.264 14.226 ( -0.574 -2.595 -3.031) 4.031 14.226 ( -0.574 -2.595 3.031) 4.031 17.524 ( 0.009 16.059 -3.190) 16.373 17.524 ( 0.009 16.059 3.190) 16.373 18.210 ( -0.035 14.350 -2.197) 14.518 18.210 ( -0.035 14.350 2.197) 14.518 22.230 ( 0.202 -19.059 -1.843) 19.149 22.230 ( 0.202 -19.059 1.843) 19.149 22.526 ( -0.234 -18.573 -2.778) 18.781 22.526 ( -0.234 -18.573 2.778) 18.781 23.668 ( 3.305 13.537 -2.818) 14.217 23.668 ( 3.305 13.537 2.818) 14.217 23.866 ( -3.990 10.840 -11.337) 16.185 23.866 ( -3.990 10.840 11.337) 16.185 24.930 ( -0.392 5.566 -0.284) 5.587 24.930 ( -0.392 5.566 0.284) 5.587 25.163 ( -0.658 6.780 -0.988) 6.883 25.163 ( -0.658 6.780 0.988) 6.883 104.270 ( 1.993 -0.242 -1.317) 2.401 104.270 ( 1.993 -0.242 1.317) 2.401 104.467 ( -1.580 -1.199 -1.194) 2.315 104.467 ( -1.580 -1.199 1.194) 2.315 105.871 ( 2.718 -2.337 -1.070) 3.740 105.871 ( 2.718 -2.337 1.070) 3.740 106.031 ( -2.242 -3.420 -4.268) 5.911 106.031 ( -2.242 -3.420 4.268) 5.911 ======================= Grid point 314 (102/120) ======================= q-point: (-0.50 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( 0.000 2.387 0.000) 2.387 1.615 ( 0.000 2.387 0.000) 2.387 2.088 ( 0.000 0.422 0.000) 0.422 2.088 ( 0.000 0.422 0.000) 0.422 2.396 ( 0.000 14.384 -0.000) 14.384 2.396 ( 0.000 14.384 0.000) 14.384 2.537 ( 0.000 16.232 -0.000) 16.232 2.537 ( 0.000 16.232 0.000) 16.232 3.683 ( 0.000 2.049 -0.000) 2.049 3.683 ( -0.000 2.049 -0.000) 2.049 3.703 ( 0.000 9.918 0.000) 9.918 3.703 ( 0.000 9.918 0.000) 9.918 3.950 ( 0.000 11.544 -0.000) 11.544 3.950 ( 0.000 11.544 -0.000) 11.544 3.978 ( 0.000 0.617 0.000) 0.617 3.978 ( 0.000 0.617 0.000) 0.617 4.213 ( 0.000 3.417 -0.000) 3.417 4.213 ( 0.000 3.417 0.000) 3.417 4.292 ( -0.000 2.182 0.000) 2.182 4.292 ( 0.000 2.182 0.000) 2.182 5.672 ( -0.000 -1.748 0.000) 1.748 5.672 ( 0.000 -1.748 0.000) 1.748 5.904 ( 0.000 -4.717 0.000) 4.717 5.904 ( 0.000 -4.717 0.000) 4.717 7.973 ( 0.000 0.224 0.000) 0.224 7.973 ( 0.000 0.224 0.000) 0.224 9.148 ( 0.000 -8.400 0.000) 8.400 9.148 ( 0.000 -8.400 0.000) 8.400 9.626 ( 0.000 5.883 0.000) 5.883 9.626 ( 0.000 5.883 0.000) 5.883 9.801 ( 0.000 -11.782 0.000) 11.782 9.801 ( 0.000 -11.782 0.000) 11.782 10.596 ( 0.000 6.921 0.000) 6.921 10.596 ( 0.000 6.921 0.000) 6.921 11.031 ( 0.000 -18.283 0.000) 18.283 11.031 ( 0.000 -18.283 0.000) 18.283 11.340 ( 0.000 4.659 0.000) 4.659 11.340 ( 0.000 4.659 0.000) 4.659 11.854 ( 0.000 19.715 0.000) 19.715 11.854 ( 0.000 19.715 0.000) 19.715 12.928 ( 0.000 -5.677 0.000) 5.677 12.928 ( 0.000 -5.677 0.000) 5.677 12.988 ( 0.000 6.673 0.000) 6.673 12.988 ( 0.000 6.673 0.000) 6.673 13.929 ( -0.000 -6.077 0.000) 6.077 13.929 ( 0.000 -6.077 0.000) 6.077 14.219 ( -0.000 -2.493 -0.000) 2.493 14.219 ( 0.000 -2.493 0.000) 2.493 17.524 ( 0.000 16.081 0.000) 16.081 17.524 ( 0.000 16.081 0.000) 16.081 18.209 ( 0.000 14.301 0.000) 14.301 18.209 ( 0.000 14.301 0.000) 14.301 22.233 ( 0.000 -18.967 0.000) 18.967 22.233 ( 0.000 -18.967 0.000) 18.967 22.523 ( -0.000 -18.725 0.000) 18.725 22.523 ( 0.000 -18.725 0.000) 18.725 23.740 ( -0.000 11.221 0.000) 11.221 23.740 ( 0.000 11.221 0.000) 11.221 23.785 ( -0.000 13.404 -0.000) 13.404 23.785 ( -0.000 13.404 0.000) 13.404 24.925 ( 0.000 5.486 0.000) 5.486 24.925 ( -0.000 5.486 0.000) 5.486 25.155 ( 0.000 7.007 0.000) 7.007 25.155 ( 0.000 7.007 0.000) 7.007 104.299 ( 0.000 -0.383 0.000) 0.383 104.299 ( 0.000 -0.383 0.000) 0.383 104.443 ( 0.000 -1.110 0.000) 1.110 104.443 ( 0.000 -1.110 0.000) 1.110 105.917 ( 0.000 -2.929 0.000) 2.929 105.917 ( 0.000 -2.929 0.000) 2.929 105.990 ( 0.000 -2.951 0.000) 2.951 105.990 ( 0.000 -2.951 0.000) 2.951 ======================= Grid point 320 (103/120) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( 0.000 8.650 -8.287) 11.979 1.667 ( 0.000 8.650 8.287) 11.979 2.189 ( 0.000 3.933 -4.435) 5.928 2.189 ( 0.000 3.933 4.435) 5.928 2.689 ( 0.000 14.267 -10.727) 17.850 2.689 ( 0.000 14.267 10.727) 17.850 2.961 ( 0.000 18.124 -10.049) 20.723 2.961 ( 0.000 18.124 10.049) 20.723 3.752 ( 0.000 7.557 -7.412) 10.585 3.752 ( 0.000 7.557 7.412) 10.585 3.947 ( 0.000 3.259 -2.829) 4.315 3.947 ( 0.000 3.259 2.829) 4.315 4.026 ( 0.000 4.341 -11.211) 12.022 4.026 ( 0.000 4.341 11.211) 12.022 4.034 ( 0.000 7.898 -5.056) 9.378 4.034 ( 0.000 7.898 5.056) 9.378 4.395 ( 0.000 11.654 -6.352) 13.272 4.395 ( 0.000 11.654 6.352) 13.272 4.495 ( 0.000 16.724 -0.867) 16.747 4.495 ( 0.000 16.724 0.867) 16.747 5.596 ( 0.000 -1.345 -2.053) 2.454 5.596 ( 0.000 -1.345 2.053) 2.454 5.835 ( 0.000 -6.961 -0.892) 7.018 5.835 ( 0.000 -6.961 0.892) 7.018 7.981 ( 0.000 1.118 -0.543) 1.243 7.981 ( 0.000 1.118 0.543) 1.243 8.939 ( 0.000 -10.213 -0.354) 10.219 8.939 ( 0.000 -10.213 0.354) 10.219 9.537 ( 0.000 -12.569 -1.109) 12.618 9.537 ( 0.000 -12.569 1.109) 12.618 9.786 ( 0.000 9.764 -1.965) 9.960 9.786 ( 0.000 9.764 1.965) 9.960 10.653 ( 0.000 -13.785 -0.633) 13.800 10.653 ( 0.000 -13.785 0.633) 13.800 10.760 ( 0.000 4.149 -7.000) 8.137 10.760 ( 0.000 4.149 7.000) 8.137 11.438 ( 0.000 3.933 -3.034) 4.967 11.438 ( 0.000 3.933 3.034) 4.967 12.244 ( 0.000 17.124 -1.560) 17.195 12.244 ( 0.000 17.124 1.560) 17.195 12.762 ( 0.000 -9.120 -0.182) 9.122 12.762 ( 0.000 -9.120 0.182) 9.122 13.192 ( 0.000 10.083 -0.757) 10.111 13.192 ( 0.000 10.083 0.757) 10.111 13.730 ( 0.000 -10.145 -3.743) 10.814 13.730 ( 0.000 -10.145 3.743) 10.814 14.160 ( 0.000 -4.082 -3.147) 5.155 14.160 ( 0.000 -4.082 3.147) 5.155 17.951 ( 0.000 23.625 -10.867) 26.004 17.951 ( 0.000 23.625 10.867) 26.004 18.598 ( 0.000 21.624 -7.963) 23.043 18.598 ( 0.000 21.624 7.963) 23.043 21.807 ( 0.000 -19.938 -2.330) 20.074 21.807 ( 0.000 -19.938 2.330) 20.074 22.113 ( 0.000 -20.338 -4.441) 20.817 22.113 ( 0.000 -20.338 4.441) 20.817 23.879 ( 0.000 8.240 -0.950) 8.294 23.879 ( 0.000 8.240 0.950) 8.294 24.073 ( 0.000 4.865 -3.690) 6.106 24.073 ( 0.000 4.865 3.690) 6.106 25.128 ( 0.000 12.957 -3.470) 13.414 25.128 ( 0.000 12.957 3.470) 13.414 25.389 ( 0.000 14.260 -0.680) 14.276 25.389 ( 0.000 14.260 0.680) 14.276 104.244 ( 0.000 -0.127 -1.057) 1.065 104.244 ( 0.000 -0.127 1.057) 1.065 104.449 ( 0.000 -2.052 -1.323) 2.441 104.449 ( 0.000 -2.052 1.323) 2.441 105.783 ( 0.000 -3.392 -0.309) 3.406 105.783 ( 0.000 -3.392 0.309) 3.406 105.953 ( 0.000 -5.970 -3.756) 7.053 105.953 ( 0.000 -5.970 3.756) 7.053 ======================= Grid point 322 (104/120) ======================= q-point: ( 0.25 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.695 ( 2.324 8.431 -6.407) 10.841 1.695 ( 2.324 8.431 6.407) 10.841 2.165 ( -1.982 4.044 -3.811) 5.900 2.165 ( -1.982 4.044 3.811) 5.900 2.699 ( 0.842 14.101 -8.435) 16.453 2.699 ( 0.842 14.101 8.435) 16.453 2.941 ( -1.631 18.151 -7.956) 19.886 2.941 ( -1.631 18.151 7.956) 19.886 3.766 ( 1.257 7.828 -6.468) 10.232 3.766 ( 1.257 7.828 6.468) 10.232 3.909 ( -2.633 4.798 -5.533) 7.782 3.909 ( -2.633 4.798 5.533) 7.782 4.015 ( 0.090 4.078 -4.685) 6.212 4.015 ( 0.090 4.078 4.685) 6.212 4.093 ( 3.191 5.359 -2.424) 6.691 4.093 ( 3.191 5.359 2.424) 6.691 4.398 ( 0.333 13.369 -5.047) 14.294 4.398 ( 0.333 13.369 5.047) 14.294 4.483 ( -1.028 16.541 -1.073) 16.608 4.483 ( -1.028 16.541 1.073) 16.608 5.609 ( 1.082 -1.943 -1.925) 2.941 5.609 ( 1.082 -1.943 1.925) 2.941 5.811 ( -2.004 -6.749 -1.707) 7.245 5.811 ( -2.004 -6.749 1.707) 7.245 7.983 ( 0.216 1.172 -0.381) 1.251 7.983 ( 0.216 1.172 0.381) 1.251 8.940 ( 0.106 -10.264 -0.248) 10.267 8.940 ( 0.106 -10.264 0.248) 10.267 9.538 ( 0.019 -12.695 -0.778) 12.719 9.538 ( 0.019 -12.695 0.778) 12.719 9.789 ( 0.213 9.746 -1.399) 9.848 9.789 ( 0.213 9.746 1.399) 9.848 10.661 ( 0.664 -14.675 -1.285) 14.746 10.661 ( 0.664 -14.675 1.285) 14.746 10.752 ( -0.663 5.003 -5.526) 7.484 10.752 ( -0.663 5.003 5.526) 7.484 11.436 ( -0.115 4.039 -2.151) 4.577 11.436 ( -0.115 4.039 2.151) 4.577 12.243 ( -0.097 17.097 -1.102) 17.133 12.243 ( -0.097 17.097 1.102) 17.133 12.764 ( 0.228 -9.219 -0.266) 9.226 12.764 ( 0.228 -9.219 0.266) 9.226 13.182 ( -0.835 9.934 -0.579) 9.986 13.182 ( -0.835 9.934 0.579) 9.986 13.745 ( 1.144 -9.815 -2.781) 10.265 13.745 ( 1.144 -9.815 2.781) 10.265 14.155 ( -0.418 -4.003 -2.358) 4.665 14.155 ( -0.418 -4.003 2.358) 4.665 17.951 ( 0.051 23.653 -7.710) 24.878 17.951 ( 0.051 23.653 7.710) 24.878 18.596 ( -0.144 21.543 -5.657) 22.273 18.596 ( -0.144 21.543 5.657) 22.273 21.809 ( 0.228 -19.957 -1.689) 20.029 21.809 ( 0.228 -19.957 1.689) 20.029 22.109 ( -0.309 -20.313 -3.189) 20.564 22.109 ( -0.309 -20.313 3.189) 20.564 23.897 ( 1.625 7.324 -0.867) 7.552 23.897 ( 1.625 7.324 0.867) 7.552 24.051 ( -1.948 5.927 -2.822) 6.847 24.051 ( -1.948 5.927 2.822) 6.847 25.124 ( -0.364 13.134 -2.445) 13.365 25.124 ( -0.364 13.134 2.445) 13.365 25.384 ( -0.357 14.343 -0.632) 14.361 25.384 ( -0.357 14.343 0.632) 14.361 104.264 ( 1.706 -0.329 -1.135) 2.075 104.264 ( 1.706 -0.329 1.135) 2.075 104.433 ( -1.408 -1.934 -1.284) 2.715 104.433 ( -1.408 -1.934 1.284) 2.715 105.805 ( 1.918 -3.867 -0.860) 4.401 105.805 ( 1.918 -3.867 0.860) 4.401 105.934 ( -1.659 -5.621 -3.217) 6.686 105.934 ( -1.659 -5.621 3.217) 6.686 ======================= Grid point 324 (105/120) ======================= q-point: (-0.50 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( 0.000 8.198 0.000) 8.198 1.727 ( 0.000 8.198 0.000) 8.198 2.138 ( 0.000 4.170 0.000) 4.170 2.138 ( 0.000 4.170 0.000) 4.170 2.711 ( 0.000 13.860 -0.000) 13.860 2.711 ( 0.000 13.860 0.000) 13.860 2.919 ( 0.000 18.269 0.000) 18.269 2.919 ( 0.000 18.269 0.000) 18.269 3.786 ( -0.000 8.554 -0.000) 8.554 3.786 ( 0.000 8.554 -0.000) 8.554 3.875 ( 0.000 4.399 0.000) 4.399 3.875 ( 0.000 4.399 0.000) 4.399 4.018 ( 0.000 4.180 0.000) 4.180 4.018 ( -0.000 4.180 0.000) 4.180 4.129 ( 0.000 3.584 0.000) 3.584 4.129 ( 0.000 3.584 0.000) 3.584 4.404 ( 0.000 15.998 0.000) 15.998 4.404 ( 0.000 15.998 0.000) 15.998 4.468 ( 0.000 15.788 0.000) 15.788 4.468 ( -0.000 15.788 0.000) 15.788 5.625 ( 0.000 -2.616 0.000) 2.616 5.625 ( 0.000 -2.616 0.000) 2.616 5.783 ( 0.000 -6.469 0.000) 6.469 5.783 ( 0.000 -6.469 0.000) 6.469 7.986 ( 0.000 1.226 0.000) 1.226 7.986 ( 0.000 1.226 0.000) 1.226 8.942 ( 0.000 -10.313 0.000) 10.313 8.942 ( 0.000 -10.313 0.000) 10.313 9.538 ( 0.000 -12.822 0.000) 12.822 9.538 ( 0.000 -12.822 0.000) 12.822 9.792 ( 0.000 9.727 0.000) 9.727 9.792 ( 0.000 9.727 0.000) 9.727 10.671 ( 0.000 -16.479 0.000) 16.479 10.671 ( 0.000 -16.479 0.000) 16.479 10.743 ( 0.000 6.772 -0.000) 6.772 10.743 ( 0.000 6.772 0.000) 6.772 11.435 ( 0.000 4.146 0.000) 4.146 11.435 ( 0.000 4.146 0.000) 4.146 12.241 ( 0.000 17.071 0.000) 17.071 12.241 ( 0.000 17.071 0.000) 17.071 12.767 ( 0.000 -9.329 0.000) 9.329 12.767 ( 0.000 -9.329 0.000) 9.329 13.171 ( 0.000 9.835 0.000) 9.835 13.171 ( 0.000 9.835 0.000) 9.835 13.759 ( -0.000 -9.529 0.000) 9.529 13.759 ( 0.000 -9.529 0.000) 9.529 14.150 ( -0.000 -3.918 -0.000) 3.918 14.150 ( 0.000 -3.918 0.000) 3.918 17.952 ( 0.000 23.681 0.000) 23.681 17.952 ( 0.000 23.681 0.000) 23.681 18.595 ( 0.000 21.460 0.000) 21.460 18.595 ( 0.000 21.460 0.000) 21.460 21.812 ( 0.000 -19.977 0.000) 19.977 21.812 ( 0.000 -19.977 0.000) 19.977 22.105 ( -0.000 -20.287 0.000) 20.287 22.105 ( 0.000 -20.287 0.000) 20.287 23.923 ( -0.000 5.514 0.000) 5.514 23.923 ( 0.000 5.514 0.000) 5.514 24.020 ( -0.000 7.891 0.000) 7.891 24.020 ( 0.000 7.891 0.000) 7.891 25.119 ( -0.000 13.315 0.000) 13.315 25.119 ( 0.000 13.315 0.000) 13.315 25.380 ( 0.000 14.410 0.000) 14.410 25.380 ( 0.000 14.410 0.000) 14.410 104.289 ( 0.000 -0.557 0.000) 0.557 104.289 ( 0.000 -0.557 0.000) 0.557 104.412 ( -0.000 -1.788 0.000) 1.788 104.412 ( 0.000 -1.788 0.000) 1.788 105.836 ( 0.000 -4.665 0.000) 4.665 105.836 ( 0.000 -4.665 0.000) 4.665 105.906 ( 0.000 -4.948 0.000) 4.948 105.906 ( 0.000 -4.948 0.000) 4.948 ======================= Grid point 330 (106/120) ======================= q-point: ( 0.00 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.879 ( 0.000 11.178 -6.904) 13.138 1.879 ( 0.000 11.178 6.904) 13.138 2.295 ( 0.000 5.878 -6.136) 8.497 2.295 ( 0.000 5.878 6.136) 8.497 2.896 ( 0.000 5.526 -7.243) 9.110 2.896 ( 0.000 5.526 7.243) 9.110 3.246 ( 0.000 8.511 -7.795) 11.541 3.246 ( 0.000 8.511 7.795) 11.541 3.897 ( 0.000 2.085 -9.326) 9.556 3.897 ( 0.000 2.085 9.326) 9.556 4.009 ( 0.000 4.628 -5.848) 7.457 4.009 ( 0.000 4.628 5.848) 7.457 4.137 ( 0.000 9.520 -8.499) 12.762 4.137 ( 0.000 9.520 8.499) 12.762 4.248 ( 0.000 14.523 -11.413) 18.470 4.248 ( 0.000 14.523 11.413) 18.470 4.760 ( 0.000 20.319 -2.720) 20.501 4.760 ( 0.000 20.319 2.720) 20.501 4.856 ( 0.000 16.737 -0.872) 16.760 4.856 ( 0.000 16.737 0.872) 16.760 5.559 ( 0.000 -2.295 -1.724) 2.871 5.559 ( 0.000 -2.295 1.724) 2.871 5.710 ( 0.000 -4.362 -2.209) 4.889 5.710 ( 0.000 -4.362 2.209) 4.889 8.023 ( 0.000 3.112 -0.657) 3.181 8.023 ( 0.000 3.112 0.657) 3.181 8.763 ( 0.000 -6.166 -0.623) 6.197 8.763 ( 0.000 -6.166 0.623) 6.197 9.285 ( 0.000 -11.559 -0.772) 11.585 9.285 ( 0.000 -11.559 0.772) 11.585 10.012 ( 0.000 11.636 -2.898) 11.992 10.012 ( 0.000 11.636 2.898) 11.992 10.337 ( 0.000 -15.001 -2.284) 15.174 10.337 ( 0.000 -15.001 2.284) 15.174 10.873 ( 0.000 4.700 -2.574) 5.359 10.873 ( 0.000 4.700 2.574) 5.359 11.520 ( 0.000 4.631 -2.441) 5.235 11.520 ( 0.000 4.631 2.441) 5.235 12.459 ( 0.000 -4.851 -0.795) 4.915 12.459 ( 0.000 -4.851 0.795) 4.915 12.634 ( 0.000 5.154 -0.460) 5.174 12.634 ( 0.000 5.154 0.460) 5.174 13.296 ( 0.000 -6.617 -0.362) 6.627 13.296 ( 0.000 -6.617 0.362) 6.627 13.603 ( 0.000 3.884 -3.362) 5.137 13.603 ( 0.000 3.884 3.362) 5.137 14.077 ( 0.000 -3.663 -2.466) 4.416 14.077 ( 0.000 -3.663 2.466) 4.416 18.449 ( 0.000 23.538 -15.400) 28.128 18.449 ( 0.000 23.538 15.400) 28.128 19.050 ( 0.000 20.833 -12.376) 24.232 19.050 ( 0.000 20.833 12.376) 24.232 21.437 ( 0.000 -15.365 -1.416) 15.430 21.437 ( 0.000 -15.365 1.416) 15.430 21.720 ( 0.000 -17.224 -3.165) 17.512 21.720 ( 0.000 -17.224 3.165) 17.512 23.971 ( 0.000 1.194 -2.467) 2.740 23.971 ( 0.000 1.194 2.467) 2.740 24.117 ( 0.000 0.010 -2.887) 2.887 24.117 ( 0.000 0.010 2.887) 2.887 25.448 ( 0.000 17.102 -4.640) 17.720 25.448 ( 0.000 17.102 4.640) 17.720 25.731 ( 0.000 17.730 -0.258) 17.731 25.731 ( 0.000 17.730 0.258) 17.731 104.242 ( 0.000 -0.057 -0.791) 0.793 104.242 ( 0.000 -0.057 0.791) 0.793 104.404 ( 0.000 -2.292 -1.403) 2.687 104.404 ( 0.000 -2.292 1.403) 2.687 105.706 ( 0.000 -3.931 -0.338) 3.946 105.706 ( 0.000 -3.931 0.338) 3.946 105.820 ( 0.000 -6.573 -2.371) 6.988 105.820 ( 0.000 -6.573 2.371) 6.988 ======================= Grid point 332 (107/120) ======================= q-point: ( 0.25 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.903 ( 1.902 10.852 -5.434) 12.284 1.903 ( 1.902 10.852 5.434) 12.284 2.275 ( -1.673 6.166 -4.925) 8.067 2.275 ( -1.673 6.166 4.925) 8.067 2.902 ( 0.470 5.331 -5.386) 7.592 2.902 ( 0.470 5.331 5.386) 7.592 3.231 ( -1.173 8.977 -5.724) 10.711 3.231 ( -1.173 8.977 5.724) 10.711 3.898 ( 0.072 0.732 -6.614) 6.655 3.898 ( 0.072 0.732 6.614) 6.655 4.008 ( -0.125 6.446 -4.824) 8.052 4.008 ( -0.125 6.446 4.824) 8.052 4.160 ( 1.935 9.936 -9.133) 13.634 4.160 ( 1.935 9.936 9.133) 13.634 4.236 ( -1.160 13.195 -10.972) 17.200 4.236 ( -1.160 13.195 10.972) 17.200 4.779 ( 1.723 20.375 -2.104) 20.556 4.779 ( 1.723 20.375 2.104) 20.556 4.849 ( -0.718 17.168 -0.739) 17.199 4.849 ( -0.718 17.168 0.739) 17.199 5.565 ( 0.630 -2.183 -1.677) 2.824 5.565 ( 0.630 -2.183 1.677) 2.824 5.684 ( -2.167 -4.814 -2.211) 5.723 5.684 ( -2.167 -4.814 2.211) 5.723 8.027 ( 0.300 3.172 -0.467) 3.220 8.027 ( 0.300 3.172 0.467) 3.220 8.763 ( 0.027 -6.204 -0.437) 6.219 8.763 ( 0.027 -6.204 0.437) 6.219 9.284 ( -0.063 -11.588 -0.547) 11.601 9.284 ( -0.063 -11.588 0.547) 11.601 10.013 ( 0.070 11.441 -2.037) 11.622 10.013 ( 0.070 11.441 2.037) 11.622 10.341 ( 0.359 -14.874 -1.693) 14.974 10.341 ( 0.359 -14.874 1.693) 14.974 10.868 ( -0.399 4.638 -1.886) 5.022 10.868 ( -0.399 4.638 1.886) 5.022 11.521 ( 0.084 4.761 -1.714) 5.061 11.521 ( 0.084 4.761 1.714) 5.061 12.454 ( -0.370 -4.732 -0.533) 4.776 12.454 ( -0.370 -4.732 0.533) 4.776 12.640 ( 0.510 5.129 -0.301) 5.163 12.640 ( 0.510 5.129 0.301) 5.163 13.281 ( -1.120 -6.001 -0.239) 6.109 13.281 ( -1.120 -6.001 0.239) 6.109 13.622 ( 1.494 3.186 -2.412) 4.266 13.622 ( 1.494 3.186 2.412) 4.266 14.073 ( -0.313 -3.603 -1.824) 4.051 14.073 ( -0.313 -3.603 1.824) 4.051 18.450 ( 0.104 23.577 -10.977) 26.007 18.450 ( 0.104 23.577 10.977) 26.007 19.046 ( -0.284 20.747 -8.835) 22.552 19.046 ( -0.284 20.747 8.835) 22.552 21.440 ( 0.223 -15.344 -1.028) 15.380 21.440 ( 0.223 -15.344 1.028) 15.380 21.716 ( -0.252 -17.196 -2.267) 17.346 21.716 ( -0.252 -17.196 2.267) 17.346 23.972 ( 0.123 0.612 -1.999) 2.095 23.972 ( 0.123 0.612 1.999) 2.095 24.113 ( -0.333 0.611 -2.228) 2.334 24.113 ( -0.333 0.611 2.228) 2.334 25.450 ( 0.129 17.451 -3.308) 17.763 25.450 ( 0.129 17.451 3.308) 17.763 25.726 ( -0.427 17.612 -0.336) 17.621 25.726 ( -0.427 17.612 0.336) 17.621 104.257 ( 1.335 -0.280 -0.866) 1.616 104.257 ( 1.335 -0.280 0.866) 1.616 104.390 ( -1.169 -2.142 -1.251) 2.743 104.390 ( -1.169 -2.142 1.251) 2.743 105.718 ( 1.042 -4.360 -0.570) 4.519 105.718 ( 1.042 -4.360 0.570) 4.519 105.809 ( -0.939 -6.210 -1.962) 6.581 105.809 ( -0.939 -6.210 1.962) 6.581 ======================= Grid point 334 (108/120) ======================= q-point: (-0.50 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.929 ( 0.000 10.484 0.000) 10.484 1.929 ( -0.000 10.484 0.000) 10.484 2.252 ( 0.000 6.496 -0.000) 6.496 2.252 ( 0.000 6.496 0.000) 6.496 2.908 ( 0.000 5.097 -0.000) 5.097 2.908 ( 0.000 5.097 0.000) 5.097 3.215 ( 0.000 9.468 0.000) 9.468 3.215 ( 0.000 9.468 0.000) 9.468 3.898 ( 0.000 -0.660 0.000) 0.660 3.898 ( 0.000 -0.660 0.000) 0.660 4.006 ( 0.000 8.245 0.000) 8.245 4.006 ( 0.000 8.245 0.000) 8.245 4.197 ( 0.000 13.177 -0.000) 13.177 4.197 ( -0.000 13.177 -0.000) 13.177 4.209 ( 0.000 9.139 0.000) 9.139 4.209 ( -0.000 9.139 0.000) 9.139 4.810 ( 0.000 21.028 0.000) 21.028 4.810 ( 0.000 21.028 0.000) 21.028 4.832 ( -0.000 17.000 0.000) 17.000 4.832 ( -0.000 17.000 0.000) 17.000 5.577 ( 0.000 -1.564 0.000) 1.564 5.577 ( 0.000 -1.564 0.000) 1.564 5.653 ( 0.000 -5.795 0.000) 5.795 5.653 ( 0.000 -5.795 0.000) 5.795 8.031 ( 0.000 3.231 0.000) 3.231 8.031 ( 0.000 3.231 0.000) 3.231 8.763 ( 0.000 -6.242 0.000) 6.242 8.763 ( 0.000 -6.242 0.000) 6.242 9.284 ( 0.000 -11.617 0.000) 11.617 9.284 ( 0.000 -11.617 0.000) 11.617 10.014 ( 0.000 11.244 0.000) 11.244 10.014 ( 0.000 11.244 0.000) 11.244 10.346 ( 0.000 -14.747 0.000) 14.747 10.346 ( 0.000 -14.747 0.000) 14.747 10.863 ( 0.000 4.580 0.000) 4.580 10.863 ( 0.000 4.580 0.000) 4.580 11.522 ( 0.000 4.891 0.000) 4.891 11.522 ( 0.000 4.891 0.000) 4.891 12.450 ( 0.000 -4.640 0.000) 4.640 12.450 ( 0.000 -4.640 0.000) 4.640 12.647 ( 0.000 5.132 0.000) 5.132 12.647 ( 0.000 5.132 0.000) 5.132 13.267 ( 0.000 -5.538 0.000) 5.538 13.267 ( 0.000 -5.538 0.000) 5.538 13.641 ( 0.000 2.636 0.000) 2.636 13.641 ( 0.000 2.636 0.000) 2.636 14.069 ( 0.000 -3.541 0.000) 3.541 14.069 ( 0.000 -3.541 0.000) 3.541 18.451 ( 0.000 23.616 0.000) 23.616 18.451 ( 0.000 23.616 0.000) 23.616 19.042 ( 0.000 20.660 0.000) 20.660 19.042 ( 0.000 20.660 0.000) 20.660 21.442 ( 0.000 -15.324 0.000) 15.324 21.442 ( 0.000 -15.324 0.000) 15.324 21.713 ( -0.000 -17.167 0.000) 17.167 21.713 ( 0.000 -17.167 0.000) 17.167 23.974 ( 0.000 -0.017 0.000) 0.017 23.974 ( 0.000 -0.017 0.000) 0.017 24.109 ( 0.000 1.261 0.000) 1.261 24.109 ( 0.000 1.261 0.000) 1.261 25.451 ( 0.000 17.814 0.000) 17.814 25.451 ( 0.000 17.814 0.000) 17.814 25.720 ( 0.000 17.480 0.000) 17.480 25.720 ( 0.000 17.480 0.000) 17.480 104.277 ( 0.000 -0.544 0.000) 0.544 104.277 ( 0.000 -0.544 0.000) 0.544 104.373 ( -0.000 -1.951 0.000) 1.951 104.373 ( 0.000 -1.951 0.000) 1.951 105.734 ( 0.000 -5.010 0.000) 5.010 105.734 ( 0.000 -5.010 0.000) 5.010 105.795 ( 0.000 -5.625 0.000) 5.625 105.795 ( 0.000 -5.625 0.000) 5.625 ======================= Grid point 340 (109/120) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.102 ( 0.000 9.787 -5.496) 11.224 2.102 ( 0.000 9.787 5.496) 11.224 2.409 ( 0.000 4.467 -6.637) 8.000 2.409 ( 0.000 4.467 6.637) 8.000 2.961 ( 0.000 2.254 -3.428) 4.102 2.961 ( 0.000 2.254 3.428) 4.102 3.341 ( 0.000 1.945 -3.656) 4.141 3.341 ( 0.000 1.945 3.656) 4.141 3.896 ( 0.000 -0.529 -7.786) 7.804 3.896 ( 0.000 -0.529 7.786) 7.804 4.032 ( 0.000 -1.090 -6.012) 6.110 4.032 ( 0.000 -1.090 6.012) 6.110 4.454 ( 0.000 17.434 -5.054) 18.151 4.454 ( 0.000 17.434 5.054) 18.151 4.611 ( 0.000 18.629 -6.397) 19.697 4.611 ( 0.000 18.629 6.397) 19.697 5.082 ( 0.000 8.581 -1.609) 8.731 5.082 ( 0.000 8.581 1.609) 8.731 5.204 ( 0.000 16.710 -2.111) 16.843 5.204 ( 0.000 16.710 2.111) 16.843 5.514 ( 0.000 -1.051 -1.970) 2.233 5.514 ( 0.000 -1.051 1.970) 2.233 5.681 ( 0.000 1.948 -3.238) 3.779 5.681 ( 0.000 1.948 3.238) 3.779 8.110 ( 0.000 5.130 -0.751) 5.184 8.110 ( 0.000 5.130 0.751) 5.184 8.697 ( 0.000 -0.121 -0.602) 0.614 8.697 ( 0.000 -0.121 0.602) 0.614 9.063 ( 0.000 -9.815 -0.444) 9.825 9.063 ( 0.000 -9.815 0.444) 9.825 10.018 ( 0.000 -14.400 -1.984) 14.536 10.018 ( 0.000 -14.400 1.984) 14.536 10.279 ( 0.000 12.482 -3.096) 12.860 10.279 ( 0.000 12.482 3.096) 12.860 10.942 ( 0.000 1.974 -1.246) 2.335 10.942 ( 0.000 1.974 1.246) 2.335 11.650 ( 0.000 8.161 -1.261) 8.258 11.650 ( 0.000 8.161 1.261) 8.258 12.231 ( 0.000 -12.484 -1.650) 12.592 12.231 ( 0.000 -12.484 1.650) 12.592 12.781 ( 0.000 4.391 -1.985) 4.819 12.781 ( 0.000 4.391 1.985) 4.819 13.003 ( 0.000 -17.733 -2.013) 17.847 13.003 ( 0.000 -17.733 2.013) 17.847 13.794 ( 0.000 10.541 -1.583) 10.659 13.794 ( 0.000 10.541 1.583) 10.659 14.025 ( 0.000 -0.946 -1.685) 1.933 14.025 ( 0.000 -0.946 1.685) 1.933 18.902 ( 0.000 19.884 -16.682) 25.955 18.902 ( 0.000 19.884 16.682) 25.955 19.426 ( 0.000 14.948 -13.876) 20.396 19.426 ( 0.000 14.948 13.876) 20.396 21.179 ( 0.000 -9.529 -0.543) 9.544 21.179 ( 0.000 -9.529 0.543) 9.544 21.409 ( 0.000 -12.632 -1.216) 12.691 21.409 ( 0.000 -12.632 1.216) 12.691 23.958 ( 0.000 -1.745 -4.096) 4.452 23.958 ( 0.000 -1.745 4.096) 4.452 24.093 ( 0.000 -2.037 -4.609) 5.039 24.093 ( 0.000 -2.037 4.609) 5.039 25.806 ( 0.000 16.935 -3.517) 17.296 25.806 ( 0.000 16.935 3.517) 17.296 26.085 ( 0.000 15.708 -1.012) 15.741 26.085 ( 0.000 15.708 1.012) 15.741 104.242 ( 0.000 0.029 -0.486) 0.487 104.242 ( 0.000 0.029 0.486) 0.487 104.357 ( 0.000 -2.143 -1.225) 2.469 104.357 ( 0.000 -2.143 1.225) 2.469 105.626 ( 0.000 -3.710 -0.326) 3.724 105.626 ( 0.000 -3.710 0.326) 3.724 105.690 ( 0.000 -5.734 -1.131) 5.845 105.690 ( 0.000 -5.734 1.131) 5.845 ======================= Grid point 342 (110/120) ======================= q-point: ( 0.25 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.116 ( 1.126 9.232 -4.314) 10.253 2.116 ( 1.126 9.232 4.314) 10.253 2.398 ( -0.921 5.021 -5.125) 7.233 2.398 ( -0.921 5.021 5.125) 7.233 2.964 ( 0.218 2.146 -2.467) 3.277 2.964 ( 0.218 2.146 2.467) 3.277 3.335 ( -0.481 2.248 -2.621) 3.487 3.335 ( -0.481 2.248 2.621) 3.487 3.888 ( -0.569 -0.608 -4.991) 5.060 3.888 ( -0.569 -0.608 4.991) 5.060 4.041 ( 0.644 -1.064 -3.737) 3.939 4.041 ( 0.644 -1.064 3.737) 3.939 4.477 ( 2.134 17.349 -5.058) 18.197 4.477 ( 2.134 17.349 5.058) 18.197 4.589 ( -2.059 18.497 -6.005) 19.556 4.589 ( -2.059 18.497 6.005) 19.556 5.096 ( 1.108 8.699 -1.142) 8.843 5.096 ( 1.108 8.699 1.142) 8.843 5.207 ( 0.161 16.276 -1.568) 16.352 5.207 ( 0.161 16.276 1.568) 16.352 5.526 ( 1.331 -0.740 -1.877) 2.417 5.526 ( 1.331 -0.740 1.877) 2.417 5.647 ( -3.063 1.993 -2.914) 4.674 5.647 ( -3.063 1.993 2.914) 4.674 8.115 ( 0.442 5.257 -0.542) 5.304 8.115 ( 0.442 5.257 0.542) 5.304 8.697 ( -0.013 -0.138 -0.427) 0.449 8.697 ( -0.013 -0.138 0.427) 0.449 9.061 ( -0.135 -9.889 -0.318) 9.895 9.061 ( -0.135 -9.889 0.318) 9.895 10.016 ( -0.133 -14.179 -1.411) 14.250 10.016 ( -0.133 -14.179 1.411) 14.250 10.285 ( 0.501 12.240 -2.268) 12.458 10.285 ( 0.501 12.240 2.268) 12.458 10.935 ( -0.510 1.921 -0.997) 2.224 10.935 ( -0.510 1.921 0.997) 2.224 11.653 ( 0.240 8.207 -0.884) 8.258 11.653 ( 0.240 8.207 0.884) 8.258 12.229 ( -0.163 -12.420 -1.153) 12.474 12.229 ( -0.163 -12.420 1.153) 12.474 12.787 ( 0.468 4.395 -1.565) 4.689 12.787 ( 0.468 4.395 1.565) 4.689 12.998 ( -0.381 -17.535 -1.579) 17.610 12.998 ( -0.381 -17.535 1.579) 17.610 13.800 ( 0.464 10.105 -1.172) 10.183 13.800 ( 0.464 10.105 1.172) 10.183 14.023 ( -0.154 -0.803 -1.233) 1.480 14.023 ( -0.154 -0.803 1.233) 1.480 18.904 ( 0.181 19.939 -11.957) 23.250 18.904 ( 0.181 19.939 11.957) 23.250 19.421 ( -0.400 14.899 -9.971) 17.932 19.421 ( -0.400 14.899 9.971) 17.932 21.182 ( 0.275 -9.499 -0.449) 9.513 21.182 ( 0.275 -9.499 0.449) 9.513 21.407 ( -0.228 -12.624 -0.885) 12.657 21.407 ( -0.228 -12.624 0.885) 12.657 23.953 ( -0.399 -1.861 -2.749) 3.343 23.953 ( -0.399 -1.861 2.749) 3.343 24.096 ( 0.217 -1.896 -3.100) 3.641 24.096 ( 0.217 -1.896 3.100) 3.641 25.814 ( 0.594 17.115 -2.561) 17.316 25.814 ( 0.594 17.115 2.561) 17.316 26.077 ( -0.629 15.622 -0.802) 15.655 26.077 ( -0.629 15.622 0.802) 15.655 104.253 ( 0.952 -0.179 -0.571) 1.124 104.253 ( 0.952 -0.179 0.571) 1.124 104.347 ( -0.881 -1.977 -1.050) 2.406 104.347 ( -0.881 -1.977 1.050) 2.406 105.630 ( 0.377 -3.989 -0.325) 4.020 105.630 ( 0.377 -3.989 0.325) 4.020 105.686 ( -0.342 -5.478 -0.889) 5.561 105.686 ( -0.342 -5.478 0.889) 5.561 ======================= Grid point 344 (111/120) ======================= q-point: (-0.50 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.131 ( 0.000 8.592 0.000) 8.592 2.131 ( -0.000 8.592 0.000) 8.592 2.385 ( 0.000 5.658 -0.000) 5.658 2.385 ( 0.000 5.658 0.000) 5.658 2.967 ( 0.000 2.035 -0.000) 2.035 2.967 ( 0.000 2.035 0.000) 2.035 3.329 ( 0.000 2.552 0.000) 2.552 3.329 ( 0.000 2.552 0.000) 2.552 3.881 ( 0.000 -0.674 0.000) 0.674 3.881 ( 0.000 -0.674 0.000) 0.674 4.049 ( 0.000 -1.047 -0.000) 1.047 4.049 ( 0.000 -1.047 0.000) 1.047 4.520 ( 0.000 16.581 -0.000) 16.581 4.520 ( 0.000 16.581 -0.000) 16.581 4.546 ( 0.000 19.065 0.000) 19.065 4.546 ( -0.000 19.065 0.000) 19.065 5.110 ( -0.000 8.886 0.000) 8.886 5.110 ( 0.000 8.886 0.000) 8.886 5.208 ( 0.000 15.636 0.000) 15.636 5.208 ( 0.000 15.636 0.000) 15.636 5.564 ( -0.000 -1.638 0.000) 1.638 5.564 ( 0.000 -1.638 0.000) 1.638 5.588 ( -0.000 3.372 -0.000) 3.372 5.588 ( 0.000 3.372 -0.000) 3.372 8.121 ( 0.000 5.387 0.000) 5.387 8.121 ( 0.000 5.387 0.000) 5.387 8.697 ( 0.000 -0.157 0.000) 0.157 8.697 ( 0.000 -0.157 0.000) 0.157 9.060 ( 0.000 -9.964 0.000) 9.964 9.060 ( 0.000 -9.964 0.000) 9.964 10.014 ( 0.000 -13.971 0.000) 13.971 10.014 ( 0.000 -13.971 0.000) 13.971 10.292 ( 0.000 12.013 0.000) 12.013 10.292 ( 0.000 12.013 0.000) 12.013 10.929 ( 0.000 1.868 -0.000) 1.868 10.929 ( 0.000 1.868 0.000) 1.868 11.656 ( 0.000 8.253 0.000) 8.253 11.656 ( 0.000 8.253 0.000) 8.253 12.227 ( 0.000 -12.359 0.000) 12.359 12.227 ( 0.000 -12.359 0.000) 12.359 12.793 ( 0.000 4.426 0.000) 4.426 12.793 ( 0.000 4.426 0.000) 4.426 12.993 ( 0.000 -17.367 -0.000) 17.367 12.993 ( 0.000 -17.367 0.000) 17.367 13.806 ( 0.000 9.665 0.000) 9.665 13.806 ( 0.000 9.665 0.000) 9.665 14.021 ( 0.000 -0.652 0.000) 0.652 14.021 ( 0.000 -0.652 0.000) 0.652 18.906 ( 0.000 19.996 0.000) 19.996 18.906 ( 0.000 19.996 0.000) 19.996 19.416 ( 0.000 14.847 0.000) 14.847 19.416 ( 0.000 14.847 0.000) 14.847 21.186 ( 0.000 -9.468 0.000) 9.468 21.186 ( 0.000 -9.468 0.000) 9.468 21.404 ( -0.000 -12.618 0.000) 12.618 21.404 ( 0.000 -12.618 0.000) 12.618 23.948 ( 0.000 -1.961 0.000) 1.961 23.948 ( 0.000 -1.961 0.000) 1.961 24.099 ( 0.000 -1.772 0.000) 1.772 24.099 ( 0.000 -1.772 0.000) 1.772 25.822 ( 0.000 17.314 0.000) 17.314 25.822 ( 0.000 17.314 0.000) 17.314 26.069 ( 0.000 15.516 0.000) 15.516 26.069 ( 0.000 15.516 0.000) 15.516 104.267 ( 0.000 -0.437 0.000) 0.437 104.267 ( 0.000 -0.437 0.000) 0.437 104.334 ( -0.000 -1.763 0.000) 1.763 104.334 ( 0.000 -1.763 0.000) 1.763 105.635 ( 0.000 -4.351 0.000) 4.351 105.635 ( 0.000 -4.351 0.000) 4.351 105.681 ( 0.000 -5.140 0.000) 5.140 105.681 ( 0.000 -5.140 0.000) 5.140 ======================= Grid point 350 (112/120) ======================= q-point: ( 0.00 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.268 ( 0.000 6.014 -2.955) 6.701 2.268 ( 0.000 6.014 2.955) 6.701 2.460 ( 0.000 0.429 -4.154) 4.176 2.460 ( 0.000 0.429 4.154) 4.176 3.036 ( 0.000 5.343 -1.972) 5.695 3.036 ( 0.000 5.343 1.972) 5.695 3.359 ( 0.000 0.119 -1.662) 1.666 3.359 ( 0.000 0.119 1.662) 1.666 3.890 ( 0.000 -0.026 -6.266) 6.267 3.890 ( 0.000 -0.026 6.266) 6.267 3.994 ( 0.000 -2.308 -4.414) 4.981 3.994 ( 0.000 -2.308 4.414) 4.981 4.787 ( 0.000 13.953 -1.745) 14.061 4.787 ( 0.000 13.953 1.745) 14.061 4.961 ( 0.000 14.043 -2.552) 14.273 4.961 ( 0.000 14.043 2.552) 14.273 5.166 ( 0.000 1.210 -0.822) 1.463 5.166 ( 0.000 1.210 0.822) 1.463 5.395 ( 0.000 1.192 -0.711) 1.388 5.395 ( 0.000 1.192 0.711) 1.388 5.609 ( 0.000 10.009 -0.322) 10.014 5.609 ( 0.000 10.009 0.322) 10.014 5.780 ( 0.000 6.684 -2.308) 7.071 5.780 ( 0.000 6.684 2.308) 7.071 8.229 ( 0.000 6.112 -0.518) 6.134 8.229 ( 0.000 6.112 0.518) 6.134 8.750 ( 0.000 4.683 -0.611) 4.723 8.750 ( 0.000 4.683 0.611) 4.723 8.883 ( 0.000 -7.165 -0.383) 7.176 8.883 ( 0.000 -7.165 0.383) 7.176 9.716 ( 0.000 -14.468 -2.437) 14.672 9.716 ( 0.000 -14.468 2.437) 14.672 10.545 ( 0.000 12.650 -4.366) 13.383 10.545 ( 0.000 12.650 4.366) 13.383 10.966 ( 0.000 0.669 -1.442) 1.590 10.966 ( 0.000 0.669 1.442) 1.590 11.853 ( 0.000 11.029 -0.210) 11.031 11.853 ( 0.000 11.029 0.210) 11.031 11.994 ( 0.000 -9.616 -1.579) 9.745 11.994 ( 0.000 -9.616 1.579) 9.745 12.614 ( 0.000 -18.914 -0.816) 18.932 12.614 ( 0.000 -18.914 0.816) 18.932 12.785 ( 0.000 -4.149 -0.801) 4.226 12.785 ( 0.000 -4.149 0.801) 4.226 13.980 ( 0.000 6.577 -1.243) 6.694 13.980 ( 0.000 6.577 1.243) 6.694 14.047 ( 0.000 3.341 -0.846) 3.446 14.047 ( 0.000 3.341 0.846) 3.446 19.264 ( 0.000 14.948 -14.643) 20.926 19.264 ( 0.000 14.948 14.643) 20.926 19.658 ( 0.000 7.447 -11.263) 13.503 19.658 ( 0.000 7.447 11.263) 13.503 21.038 ( 0.000 -4.228 -0.610) 4.272 21.038 ( 0.000 -4.228 0.610) 4.272 21.196 ( 0.000 -8.053 -0.655) 8.080 21.196 ( 0.000 -8.053 0.655) 8.080 23.919 ( 0.000 -1.643 -4.501) 4.792 23.919 ( 0.000 -1.643 4.501) 4.792 24.041 ( 0.000 -2.887 -3.899) 4.851 24.041 ( 0.000 -2.887 3.899) 4.851 26.131 ( 0.000 14.056 -1.863) 14.179 26.131 ( 0.000 14.056 1.863) 14.179 26.360 ( 0.000 10.437 -1.401) 10.531 26.360 ( 0.000 10.437 1.401) 10.531 104.243 ( 0.000 0.100 -0.203) 0.227 104.243 ( 0.000 0.100 0.203) 0.227 104.317 ( 0.000 -1.701 -0.899) 1.924 104.317 ( 0.000 -1.701 0.899) 1.924 105.555 ( 0.000 -3.015 -0.307) 3.031 105.555 ( 0.000 -3.015 0.307) 3.031 105.589 ( 0.000 -3.916 -0.289) 3.927 105.589 ( 0.000 -3.916 0.289) 3.927 ======================= Grid point 352 (113/120) ======================= q-point: ( 0.25 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.271 ( 0.231 5.598 -2.180) 6.012 2.271 ( 0.231 5.598 2.181) 6.012 2.458 ( -0.105 0.726 -3.029) 3.117 2.458 ( -0.105 0.726 3.029) 3.117 3.038 ( 0.134 5.356 -1.403) 5.538 3.038 ( 0.134 5.356 1.403) 5.538 3.357 ( -0.200 0.187 -1.187) 1.218 3.357 ( -0.200 0.187 1.187) 1.218 3.883 ( -0.555 0.077 -3.931) 3.971 3.883 ( -0.555 0.077 3.931) 3.971 4.002 ( 0.615 -2.374 -2.617) 3.586 4.002 ( 0.615 -2.374 2.617) 3.586 4.806 ( 1.725 13.646 -1.542) 13.841 4.806 ( 1.725 13.646 1.542) 13.841 4.939 ( -1.872 14.273 -2.051) 14.541 4.939 ( -1.872 14.273 2.051) 14.541 5.184 ( 1.454 1.303 -0.479) 2.010 5.184 ( 1.454 1.303 0.479) 2.010 5.378 ( -1.430 0.764 -0.524) 1.704 5.378 ( -1.430 0.764 0.524) 1.704 5.630 ( 1.964 9.950 -0.615) 10.161 5.630 ( 1.964 9.950 0.615) 10.161 5.754 ( -2.333 7.187 -1.905) 7.792 5.754 ( -2.333 7.187 1.905) 7.792 8.239 ( 0.783 6.431 -0.388) 6.490 8.239 ( 0.783 6.431 0.388) 6.490 8.749 ( -0.125 4.442 -0.551) 4.478 8.749 ( -0.125 4.442 0.551) 4.478 8.879 ( -0.307 -7.215 -0.348) 7.230 8.879 ( -0.307 -7.215 0.348) 7.230 9.715 ( -0.095 -14.520 -1.722) 14.622 9.715 ( -0.095 -14.520 1.722) 14.622 10.550 ( 0.449 12.705 -3.170) 13.103 10.550 ( 0.449 12.705 3.170) 13.103 10.959 ( -0.567 0.639 -1.171) 1.449 10.959 ( -0.567 0.639 1.171) 1.449 11.857 ( 0.253 11.058 -0.198) 11.062 11.857 ( 0.253 11.058 0.198) 11.062 11.992 ( -0.129 -9.680 -1.096) 9.742 11.992 ( -0.129 -9.680 1.096) 9.742 12.612 ( -0.134 -18.881 -0.728) 18.896 12.612 ( -0.134 -18.881 0.728) 18.896 12.788 ( 0.287 -4.250 -0.687) 4.315 12.788 ( 0.287 -4.250 0.687) 4.315 13.983 ( 0.185 6.901 -0.920) 6.964 13.983 ( 0.185 6.901 0.920) 6.964 14.046 ( -0.092 2.994 -0.640) 3.063 14.046 ( -0.092 2.994 0.640) 3.063 19.268 ( 0.298 15.045 -10.593) 18.403 19.268 ( 0.298 15.045 10.593) 18.403 19.652 ( -0.451 7.422 -8.210) 11.077 19.652 ( -0.451 7.422 8.210) 11.077 21.042 ( 0.281 -4.255 -0.591) 4.305 21.042 ( 0.281 -4.255 0.591) 4.305 21.193 ( -0.207 -8.031 -0.554) 8.053 21.193 ( -0.207 -8.031 0.554) 8.053 23.914 ( -0.383 -1.540 -2.991) 3.386 23.914 ( -0.383 -1.540 2.991) 3.386 24.044 ( 0.260 -2.945 -2.564) 3.914 24.044 ( 0.260 -2.945 2.564) 3.914 26.140 ( 0.707 14.010 -1.401) 14.097 26.140 ( 0.707 14.010 1.401) 14.097 26.351 ( -0.677 10.483 -1.076) 10.560 26.351 ( -0.677 10.483 1.076) 10.560 104.250 ( 0.623 -0.057 -0.315) 0.700 104.250 ( 0.623 -0.057 0.315) 0.700 104.310 ( -0.600 -1.562 -0.757) 1.836 104.310 ( -0.600 -1.562 0.757) 1.836 105.556 ( 0.085 -3.047 -0.233) 3.057 105.556 ( 0.085 -3.047 0.233) 3.057 105.588 ( -0.072 -3.891 -0.220) 3.898 105.588 ( -0.072 -3.891 0.220) 3.898 ======================= Grid point 354 (114/120) ======================= q-point: (-0.50 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.274 ( 0.000 5.168 -0.000) 5.168 2.274 ( 0.000 5.168 0.000) 5.168 2.457 ( 0.000 1.039 -0.000) 1.039 2.457 ( 0.000 1.039 0.000) 1.039 3.039 ( 0.000 5.368 0.000) 5.368 3.039 ( 0.000 5.368 0.000) 5.368 3.354 ( 0.000 0.255 -0.000) 0.255 3.354 ( 0.000 0.255 0.000) 0.255 3.876 ( 0.000 0.180 0.000) 0.180 3.876 ( 0.000 0.180 0.000) 0.180 4.010 ( 0.000 -2.440 -0.000) 2.440 4.010 ( 0.000 -2.440 0.000) 2.440 4.834 ( -0.000 12.908 -0.000) 12.908 4.834 ( 0.000 12.908 -0.000) 12.908 4.909 ( -0.000 14.988 0.000) 14.988 4.909 ( 0.000 14.988 0.000) 14.988 5.204 ( 0.000 1.431 0.000) 1.431 5.204 ( -0.000 1.431 0.000) 1.431 5.358 ( 0.000 0.262 0.000) 0.262 5.358 ( 0.000 0.262 0.000) 0.262 5.669 ( -0.000 10.159 0.000) 10.159 5.669 ( 0.000 10.159 0.000) 10.159 5.711 ( -0.000 7.408 0.000) 7.408 5.711 ( 0.000 7.408 0.000) 7.408 8.249 ( 0.000 6.771 0.000) 6.771 8.249 ( 0.000 6.771 0.000) 6.771 8.747 ( 0.000 4.155 0.000) 4.155 8.747 ( 0.000 4.155 0.000) 4.155 8.875 ( 0.000 -7.239 0.000) 7.239 8.875 ( 0.000 -7.239 0.000) 7.239 9.714 ( 0.000 -14.573 0.000) 14.573 9.714 ( 0.000 -14.573 0.000) 14.573 10.556 ( 0.000 12.769 0.000) 12.769 10.556 ( 0.000 12.769 0.000) 12.769 10.951 ( 0.000 0.599 -0.000) 0.599 10.951 ( 0.000 0.599 0.000) 0.599 11.860 ( 0.000 11.101 0.000) 11.101 11.860 ( 0.000 11.101 0.000) 11.101 11.991 ( 0.000 -9.757 0.000) 9.757 11.991 ( 0.000 -9.757 0.000) 9.757 12.610 ( 0.000 -18.858 0.000) 18.858 12.610 ( 0.000 -18.858 0.000) 18.858 12.792 ( 0.000 -4.341 -0.000) 4.341 12.792 ( 0.000 -4.341 -0.000) 4.341 13.985 ( 0.000 7.270 -0.000) 7.270 13.985 ( 0.000 7.270 0.000) 7.270 14.045 ( 0.000 2.602 -0.000) 2.602 14.045 ( 0.000 2.602 0.000) 2.602 19.271 ( 0.000 15.148 0.000) 15.148 19.271 ( 0.000 15.148 0.000) 15.148 19.646 ( 0.000 7.391 0.000) 7.391 19.646 ( 0.000 7.391 0.000) 7.391 21.045 ( 0.000 -4.280 0.000) 4.280 21.045 ( 0.000 -4.280 0.000) 4.280 21.191 ( -0.000 -8.010 0.000) 8.010 21.191 ( 0.000 -8.010 0.000) 8.010 23.909 ( 0.000 -1.443 0.000) 1.443 23.909 ( 0.000 -1.443 0.000) 1.443 24.047 ( 0.000 -2.997 -0.000) 2.997 24.047 ( 0.000 -2.997 0.000) 2.997 26.149 ( 0.000 13.969 0.000) 13.969 26.149 ( 0.000 13.969 0.000) 13.969 26.342 ( 0.000 10.524 0.000) 10.524 26.342 ( 0.000 10.524 0.000) 10.524 104.260 ( 0.000 -0.248 0.000) 0.248 104.260 ( 0.000 -0.248 0.000) 0.248 104.301 ( -0.000 -1.388 0.000) 1.388 104.301 ( 0.000 -1.388 0.000) 1.388 105.558 ( 0.000 -3.082 0.000) 3.082 105.558 ( 0.000 -3.082 0.000) 3.082 105.587 ( 0.000 -3.865 0.000) 3.865 105.587 ( 0.000 -3.865 0.000) 3.865 ======================= Grid point 360 (115/120) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.355 ( 0.000 2.662 -0.264) 2.675 2.355 ( 0.000 2.662 0.264) 2.675 2.444 ( 0.000 -1.362 -0.342) 1.404 2.444 ( 0.000 -1.362 0.342) 1.404 3.167 ( 0.000 6.536 -1.311) 6.666 3.167 ( 0.000 6.536 1.311) 6.666 3.347 ( 0.000 -1.417 -0.935) 1.697 3.347 ( 0.000 -1.417 0.935) 1.697 3.889 ( 0.000 -0.197 -3.213) 3.219 3.889 ( 0.000 -0.197 3.213) 3.219 3.950 ( 0.000 -1.629 -2.766) 3.210 3.950 ( 0.000 -1.629 2.766) 3.210 5.013 ( 0.000 7.471 -0.793) 7.513 5.013 ( 0.000 7.471 0.793) 7.513 5.138 ( 0.000 2.455 -0.870) 2.605 5.138 ( 0.000 2.455 0.870) 2.605 5.204 ( 0.000 3.377 -1.769) 3.812 5.204 ( 0.000 3.377 1.769) 3.812 5.401 ( 0.000 0.688 -0.559) 0.886 5.401 ( 0.000 0.688 0.559) 0.886 5.777 ( 0.000 5.286 -0.523) 5.312 5.777 ( 0.000 5.286 0.523) 5.312 5.917 ( 0.000 5.567 -0.743) 5.617 5.917 ( 0.000 5.567 0.743) 5.617 8.351 ( 0.000 5.264 -0.136) 5.266 8.351 ( 0.000 5.265 0.136) 5.266 8.728 ( 0.000 -5.238 -1.214) 5.376 8.728 ( 0.000 -5.238 1.214) 5.376 8.920 ( 0.000 9.021 -0.190) 9.023 8.920 ( 0.000 9.021 0.190) 9.023 9.423 ( 0.000 -13.623 -2.381) 13.830 9.423 ( 0.000 -13.623 2.381) 13.830 10.778 ( 0.000 9.029 -5.102) 10.371 10.778 ( 0.000 9.029 5.102) 10.371 10.977 ( 0.000 0.464 -2.943) 2.979 10.977 ( 0.000 0.464 2.943) 2.979 11.858 ( 0.000 -2.124 -0.644) 2.219 11.858 ( 0.000 -2.124 0.644) 2.219 12.085 ( 0.000 7.371 -0.768) 7.410 12.085 ( 0.000 7.371 0.768) 7.410 12.259 ( 0.000 -11.430 -1.248) 11.498 12.259 ( 0.000 -11.430 1.248) 11.498 12.634 ( 0.000 -9.805 -0.512) 9.819 12.634 ( 0.000 -9.805 0.512) 9.819 14.061 ( 0.000 2.281 -1.660) 2.821 14.061 ( 0.000 2.281 1.660) 2.821 14.141 ( 0.000 3.966 -1.372) 4.196 14.141 ( 0.000 3.966 1.372) 4.196 19.516 ( 0.000 9.293 -9.395) 13.214 19.516 ( 0.000 9.293 9.395) 13.214 19.744 ( 0.000 1.225 -5.322) 5.462 19.744 ( 0.000 1.225 5.323) 5.462 20.991 ( 0.000 -0.698 -1.430) 1.591 20.991 ( 0.000 -0.698 1.430) 1.591 21.070 ( 0.000 -4.251 -1.787) 4.611 21.070 ( 0.000 -4.250 1.787) 4.611 23.900 ( 0.000 -0.160 -3.119) 3.123 23.900 ( 0.000 -0.160 3.119) 3.123 23.980 ( 0.000 -2.738 -2.002) 3.392 23.980 ( 0.000 -2.738 2.002) 3.392 26.376 ( 0.000 9.246 -0.374) 9.254 26.376 ( 0.000 9.246 0.374) 9.254 26.508 ( 0.000 3.778 -1.322) 4.002 26.508 ( 0.000 3.778 1.322) 4.002 104.246 ( 0.000 0.142 -0.001) 0.142 104.246 ( 0.000 0.142 0.001) 0.142 104.288 ( 0.000 -1.009 -0.518) 1.134 104.288 ( 0.000 -1.009 0.518) 1.134 105.504 ( 0.000 -1.853 -0.164) 1.860 105.504 ( 0.000 -1.853 0.164) 1.860 105.531 ( 0.000 -1.776 -0.002) 1.776 105.531 ( 0.000 -1.776 0.002) 1.776 ======================= Grid point 362 (116/120) ======================= q-point: ( 0.25 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.354 ( -0.065 2.735 -0.183) 2.742 2.354 ( -0.065 2.735 0.183) 2.742 2.444 ( -0.028 -1.549 -0.268) 1.572 2.444 ( -0.028 -1.549 0.268) 1.572 3.169 ( 0.176 6.549 -0.956) 6.621 3.169 ( 0.176 6.549 0.956) 6.621 3.345 ( -0.179 -1.436 -0.689) 1.603 3.345 ( -0.179 -1.436 0.689) 1.603 3.888 ( -0.095 0.355 -2.107) 2.139 3.888 ( -0.095 0.355 2.107) 2.139 3.953 ( 0.262 -2.104 -1.788) 2.774 3.953 ( 0.262 -2.104 1.788) 2.774 5.024 ( 0.934 7.114 -0.733) 7.212 5.024 ( 0.934 7.114 0.733) 7.212 5.133 ( -0.534 3.362 -0.864) 3.512 5.133 ( -0.534 3.362 0.864) 3.512 5.215 ( 1.131 3.091 -1.431) 3.589 5.215 ( 1.131 3.091 1.431) 3.589 5.376 ( -2.119 0.195 -0.687) 2.237 5.376 ( -2.119 0.195 0.687) 2.237 5.799 ( 2.043 5.489 -0.453) 5.875 5.799 ( 2.043 5.489 0.453) 5.875 5.898 ( -1.809 5.697 -0.560) 6.004 5.898 ( -1.809 5.697 0.560) 6.004 8.371 ( 1.712 6.073 -0.175) 6.312 8.371 ( 1.712 6.073 0.175) 6.312 8.711 ( -1.411 -6.001 -0.919) 6.233 8.711 ( -1.411 -6.001 0.919) 6.233 8.922 ( 0.097 9.030 -0.175) 9.032 8.922 ( 0.097 9.030 0.175) 9.032 9.421 ( -0.229 -13.743 -1.685) 13.847 9.421 ( -0.229 -13.743 1.685) 13.847 10.787 ( 0.692 9.281 -3.903) 10.092 10.787 ( 0.692 9.281 3.903) 10.092 10.968 ( -0.742 0.255 -2.399) 2.524 10.968 ( -0.742 0.255 2.399) 2.524 11.858 ( -0.021 -2.133 -0.479) 2.186 11.858 ( -0.021 -2.133 0.479) 2.186 12.085 ( -0.018 7.091 -0.566) 7.113 12.085 ( -0.018 7.091 0.566) 7.113 12.259 ( 0.010 -11.136 -0.884) 11.171 12.259 ( 0.010 -11.136 0.884) 11.171 12.635 ( 0.066 -9.954 -0.369) 9.961 12.635 ( 0.066 -9.954 0.369) 9.961 14.073 ( 1.149 2.572 -1.612) 3.245 14.073 ( 1.149 2.572 1.612) 3.245 14.130 ( -1.032 3.702 -1.407) 4.093 14.130 ( -1.032 3.702 1.407) 4.093 19.524 ( 0.589 9.587 -7.052) 11.916 19.524 ( 0.589 9.587 7.052) 11.916 19.736 ( -0.618 0.997 -4.211) 4.371 19.736 ( -0.618 0.997 4.211) 4.371 20.994 ( 0.228 -0.717 -1.137) 1.364 20.994 ( 0.228 -0.717 1.137) 1.364 21.068 ( -0.174 -4.245 -1.365) 4.462 21.068 ( -0.174 -4.245 1.365) 4.462 23.898 ( -0.108 0.095 -2.165) 2.170 23.898 ( -0.108 0.095 2.165) 2.170 23.981 ( 0.055 -2.958 -1.377) 3.263 23.981 ( 0.055 -2.958 1.378) 3.263 26.382 ( 0.502 9.070 -0.328) 9.089 26.382 ( 0.502 9.070 0.328) 9.089 26.502 ( -0.499 3.931 -0.995) 4.086 26.502 ( -0.499 3.931 0.995) 4.086 104.250 ( 0.429 0.078 -0.161) 0.465 104.250 ( 0.429 0.078 0.161) 0.465 104.284 ( -0.422 -0.951 -0.446) 1.132 104.284 ( -0.422 -0.951 0.446) 1.132 105.506 ( 0.242 -1.724 -0.136) 1.746 105.506 ( 0.242 -1.724 0.136) 1.746 105.528 ( -0.237 -1.908 -0.038) 1.923 105.528 ( -0.237 -1.908 0.038) 1.923 ======================= Grid point 364 (117/120) ======================= q-point: (-0.50 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.353 ( 0.000 2.806 -0.000) 2.806 2.353 ( 0.000 2.806 0.000) 2.806 2.444 ( 0.000 -1.733 -0.000) 1.733 2.444 ( 0.000 -1.733 0.000) 1.733 3.171 ( 0.000 6.566 0.000) 6.566 3.171 ( 0.000 6.566 0.000) 6.566 3.343 ( 0.000 -1.459 -0.000) 1.459 3.343 ( 0.000 -1.459 0.000) 1.459 3.887 ( 0.000 0.847 0.000) 0.847 3.887 ( 0.000 0.847 0.000) 0.847 3.956 ( 0.000 -2.519 -0.000) 2.519 3.956 ( 0.000 -2.519 0.000) 2.519 5.037 ( -0.000 6.651 0.000) 6.651 5.037 ( 0.000 6.651 0.000) 6.651 5.124 ( -0.000 4.187 0.000) 4.187 5.124 ( 0.000 4.187 0.000) 4.187 5.235 ( -0.000 3.470 0.000) 3.470 5.235 ( 0.000 3.470 0.000) 3.470 5.344 ( -0.000 -0.767 0.000) 0.767 5.344 ( 0.000 -0.767 0.000) 0.767 5.850 ( -0.009 6.185 0.000) 6.185 5.850 ( 0.008 6.185 0.000) 6.185 5.850 ( -0.008 5.327 -0.000) 5.327 5.850 ( 0.009 5.327 -0.000) 5.327 8.395 ( 0.000 7.197 0.000) 7.197 8.395 ( 0.000 7.197 0.000) 7.197 8.692 ( 0.000 -7.086 0.000) 7.086 8.692 ( 0.000 -7.086 0.000) 7.086 8.923 ( 0.000 9.046 0.000) 9.046 8.923 ( 0.000 9.046 0.000) 9.046 9.418 ( 0.000 -13.864 0.000) 13.864 9.418 ( 0.000 -13.864 0.000) 13.864 10.796 ( 0.000 9.638 0.000) 9.638 10.796 ( 0.000 9.638 0.000) 9.638 10.958 ( 0.000 -0.060 -0.000) 0.060 10.958 ( 0.000 -0.060 0.000) 0.060 11.858 ( 0.000 -2.143 -0.000) 2.143 11.858 ( 0.000 -2.143 0.000) 2.143 12.085 ( 0.000 6.814 0.000) 6.814 12.085 ( 0.000 6.815 0.000) 6.815 12.259 ( 0.000 -10.846 0.000) 10.846 12.259 ( 0.000 -10.846 0.000) 10.846 12.636 ( 0.000 -10.100 -0.000) 10.100 12.636 ( 0.000 -10.100 -0.000) 10.100 14.099 ( 0.000 3.647 -0.000) 3.647 14.099 ( 0.000 3.647 0.000) 3.647 14.105 ( 0.000 2.656 -0.000) 2.656 14.105 ( -0.000 2.656 0.000) 2.656 19.531 ( -0.000 9.948 0.000) 9.948 19.531 ( 0.000 9.948 0.000) 9.948 19.728 ( -0.000 0.702 0.000) 0.702 19.728 ( 0.000 0.702 0.000) 0.702 20.997 ( 0.000 -0.730 0.000) 0.730 20.997 ( 0.000 -0.730 0.000) 0.730 21.066 ( -0.000 -4.246 0.000) 4.246 21.066 ( 0.000 -4.246 0.000) 4.246 23.897 ( 0.000 0.340 0.000) 0.340 23.897 ( 0.000 0.340 0.000) 0.340 23.982 ( 0.000 -3.167 -0.000) 3.167 23.982 ( 0.000 -3.167 0.000) 3.167 26.388 ( -0.000 8.887 0.000) 8.887 26.388 ( 0.000 8.887 0.000) 8.887 26.495 ( 0.000 4.091 0.000) 4.091 26.495 ( 0.000 4.091 0.000) 4.091 104.257 ( 0.000 0.053 0.000) 0.053 104.257 ( 0.000 0.053 0.000) 0.053 104.277 ( -0.000 -0.930 0.000) 0.930 104.277 ( 0.000 -0.930 0.000) 0.930 105.510 ( -0.000 -1.463 0.000) 1.463 105.510 ( 0.000 -1.463 0.000) 1.463 105.524 ( -0.000 -2.172 0.000) 2.172 105.524 ( 0.000 -2.172 0.000) 2.172 ======================= Grid point 370 (118/120) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.385 ( 0.000 -0.000 -0.000) 0.000 2.385 ( 0.000 -0.000 0.000) 0.000 2.424 ( 0.000 0.000 0.000) 0.000 2.424 ( 0.000 0.000 0.000) 0.000 3.267 ( 0.000 -0.000 0.000) 0.000 3.267 ( 0.000 -0.000 0.000) 0.000 3.305 ( 0.000 0.000 0.000) 0.000 3.305 ( 0.000 0.000 0.000) 0.000 3.885 ( 0.000 0.000 0.000) 0.000 3.885 ( 0.000 0.000 0.000) 0.000 3.934 ( 0.000 0.000 0.000) 0.000 3.934 ( 0.000 0.000 0.000) 0.000 5.085 ( 0.000 0.000 0.000) 0.000 5.085 ( 0.000 0.000 0.000) 0.000 5.163 ( 0.000 0.000 0.000) 0.000 5.163 ( 0.000 0.000 0.000) 0.000 5.235 ( 0.000 0.000 0.000) 0.000 5.235 ( 0.000 0.000 0.000) 0.000 5.417 ( 0.000 0.000 0.000) 0.000 5.417 ( 0.000 0.000 0.000) 0.000 5.830 ( 0.000 0.000 0.000) 0.000 5.830 ( 0.000 0.000 0.000) 0.000 5.979 ( 0.000 0.000 0.000) 0.000 5.979 ( 0.000 0.000 0.000) 0.000 8.416 ( 0.000 0.000 0.000) 0.000 8.416 ( 0.000 0.000 0.000) 0.000 8.662 ( 0.000 0.000 -0.000) 0.000 8.662 ( 0.000 0.000 0.000) 0.000 9.107 ( 0.000 0.000 -0.000) 0.000 9.107 ( 0.000 0.000 0.000) 0.000 9.191 ( 0.000 -0.000 0.000) 0.000 9.191 ( 0.000 -0.000 0.000) 0.000 10.879 ( 0.000 -0.000 0.000) 0.000 10.879 ( 0.000 0.000 0.000) 0.000 10.982 ( 0.000 0.000 0.000) 0.000 10.982 ( 0.000 0.000 0.000) 0.000 11.915 ( 0.000 0.000 0.000) 0.000 11.915 ( 0.000 0.000 0.000) 0.000 11.947 ( 0.000 -0.000 0.000) 0.000 11.947 ( 0.000 -0.000 0.000) 0.000 12.368 ( 0.000 0.000 -0.000) 0.000 12.368 ( 0.000 0.000 0.000) 0.000 12.428 ( 0.000 -0.000 -0.000) 0.000 12.428 ( 0.000 -0.000 0.000) 0.000 14.085 ( 0.000 0.000 0.000) 0.000 14.085 ( 0.000 0.000 0.000) 0.000 14.183 ( 0.000 0.000 0.000) 0.000 14.183 ( 0.000 0.000 0.000) 0.000 19.627 ( 0.000 0.000 0.000) 0.000 19.627 ( 0.000 0.000 0.000) 0.000 19.740 ( 0.000 0.000 0.000) 0.000 19.740 ( 0.000 0.000 0.000) 0.000 20.992 ( 0.000 0.000 0.000) 0.000 20.992 ( 0.000 0.000 0.000) 0.000 21.020 ( 0.000 -0.000 -0.000) 0.000 21.020 ( 0.000 0.000 0.000) 0.000 23.905 ( 0.000 0.000 0.000) 0.000 23.905 ( 0.000 0.000 0.000) 0.000 23.943 ( 0.000 0.000 0.000) 0.000 23.943 ( 0.000 0.000 0.000) 0.000 26.493 ( 0.000 0.000 0.000) 0.000 26.493 ( 0.000 0.000 0.000) 0.000 26.527 ( 0.000 0.000 0.000) 0.000 26.527 ( 0.000 -0.000 0.000) 0.000 104.248 ( 0.000 0.000 0.000) 0.000 104.248 ( 0.000 0.000 0.000) 0.000 104.277 ( 0.000 0.000 0.000) 0.000 104.277 ( 0.000 0.000 0.000) 0.000 105.484 ( 0.000 0.000 0.000) 0.000 105.484 ( 0.000 0.000 0.000) 0.000 105.513 ( 0.000 0.000 0.000) 0.000 105.513 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 374 (119/120) ======================= q-point: ( 0.25 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.390 ( 0.446 -0.000 0.000) 0.446 2.390 ( 0.446 -0.000 0.000) 0.446 2.417 ( -0.632 0.000 0.000) 0.632 2.417 ( -0.632 0.000 0.000) 0.632 3.273 ( 0.510 -0.000 0.000) 0.510 3.273 ( 0.510 -0.000 0.000) 0.510 3.299 ( -0.536 0.000 0.000) 0.536 3.299 ( -0.536 0.000 0.000) 0.536 3.893 ( 0.795 -0.000 0.000) 0.795 3.893 ( 0.795 0.000 0.000) 0.795 3.928 ( -0.552 0.000 0.000) 0.552 3.928 ( -0.552 0.000 0.000) 0.552 5.097 ( 1.081 0.000 0.000) 1.081 5.097 ( 1.081 0.000 0.000) 1.081 5.152 ( -1.071 0.000 0.000) 1.071 5.152 ( -1.071 0.000 0.000) 1.071 5.257 ( 2.121 0.000 0.000) 2.121 5.257 ( 2.121 0.000 0.000) 2.121 5.385 ( -2.919 0.000 0.000) 2.919 5.385 ( -2.919 0.000 0.000) 2.919 5.855 ( 2.307 0.000 0.000) 2.307 5.855 ( 2.307 0.000 0.000) 2.307 5.961 ( -1.773 0.000 0.000) 1.773 5.961 ( -1.773 0.000 0.000) 1.773 8.454 ( 3.564 0.000 0.000) 3.564 8.454 ( 3.564 0.000 0.000) 3.564 8.628 ( -3.228 0.000 -0.000) 3.228 8.628 ( -3.228 0.000 0.000) 3.228 9.118 ( 1.041 0.000 -0.000) 1.041 9.118 ( 1.041 0.000 0.000) 1.041 9.177 ( -1.273 -0.000 0.000) 1.273 9.177 ( -1.273 -0.000 0.000) 1.273 10.894 ( 1.419 -0.000 0.000) 1.419 10.894 ( 1.419 0.000 0.000) 1.419 10.967 ( -1.432 0.000 0.000) 1.432 10.967 ( -1.432 0.000 0.000) 1.432 11.919 ( 0.362 0.000 0.000) 0.362 11.919 ( 0.362 0.000 0.000) 0.362 11.942 ( -0.530 -0.000 0.000) 0.530 11.942 ( -0.530 -0.000 0.000) 0.530 12.377 ( 0.868 0.000 -0.000) 0.868 12.377 ( 0.868 0.000 0.000) 0.868 12.419 ( -0.788 -0.000 -0.000) 0.788 12.419 ( -0.788 -0.000 0.000) 0.788 14.101 ( 1.422 0.000 0.000) 1.422 14.101 ( 1.422 0.000 0.000) 1.422 14.170 ( -1.279 0.000 0.000) 1.279 14.170 ( -1.279 0.000 0.000) 1.279 19.644 ( 1.583 0.000 0.000) 1.583 19.644 ( 1.583 0.000 0.000) 1.583 19.724 ( -1.555 0.000 0.000) 1.555 19.724 ( -1.555 0.000 0.000) 1.555 20.997 ( 0.399 0.000 -0.000) 0.399 20.997 ( 0.399 0.000 0.000) 0.399 21.016 ( -0.357 -0.000 -0.000) 0.357 21.016 ( -0.357 0.000 0.000) 0.357 23.911 ( 0.514 0.000 0.000) 0.514 23.911 ( 0.514 0.000 0.000) 0.514 23.938 ( -0.537 0.000 0.000) 0.537 23.938 ( -0.537 0.000 0.000) 0.537 26.498 ( 0.462 0.000 0.000) 0.462 26.498 ( 0.462 0.000 0.000) 0.462 26.522 ( -0.481 -0.000 0.000) 0.481 26.522 ( -0.481 -0.000 0.000) 0.481 104.252 ( 0.413 0.000 0.000) 0.413 104.252 ( 0.413 0.000 0.000) 0.413 104.273 ( -0.409 0.000 0.000) 0.409 104.273 ( -0.409 0.000 0.000) 0.409 105.488 ( 0.399 0.000 0.000) 0.399 105.488 ( 0.399 0.000 0.000) 0.399 105.508 ( -0.397 0.000 0.000) 0.397 105.508 ( -0.397 0.000 0.000) 0.397 ======================= Grid point 378 (120/120) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.402 ( -0.134 -2.089 0.000) 2.093 2.402 ( -0.134 -2.089 0.000) 2.093 2.402 ( 0.134 2.089 0.000) 2.093 2.402 ( 0.134 2.089 0.000) 2.093 3.286 ( -0.066 -4.172 0.000) 4.172 3.286 ( -0.066 -4.172 0.000) 4.172 3.286 ( 0.066 4.172 0.000) 4.173 3.286 ( 0.066 4.172 0.000) 4.173 3.912 ( -0.260 -1.605 0.000) 1.625 3.912 ( -0.260 -1.605 0.000) 1.625 3.912 ( 0.260 1.605 0.000) 1.625 3.912 ( 0.260 1.605 0.000) 1.625 5.124 ( -0.482 -2.161 0.000) 2.214 5.124 ( -0.482 -2.161 0.000) 2.214 5.124 ( 0.482 2.161 0.000) 2.214 5.124 ( 0.482 2.161 0.000) 2.214 5.316 ( -1.964 -2.196 0.000) 2.946 5.316 ( -1.964 -2.196 0.000) 2.946 5.316 ( 1.964 2.197 0.000) 2.946 5.316 ( 1.964 2.197 0.000) 2.946 5.911 ( -2.881 -0.033 0.000) 2.881 5.911 ( -2.881 -0.033 0.000) 2.881 5.911 ( 2.881 0.033 0.000) 2.881 5.911 ( 2.881 0.033 0.000) 2.881 8.544 ( -1.530 -6.785 0.000) 6.956 8.544 ( -1.530 -6.785 0.000) 6.956 8.544 ( 1.530 6.785 0.000) 6.956 8.544 ( 1.530 6.785 0.000) 6.956 9.146 ( -0.109 -12.139 -0.000) 12.140 9.146 ( -0.109 -12.139 0.000) 12.140 9.146 ( 0.109 12.139 0.000) 12.140 9.146 ( 0.109 12.139 0.000) 12.140 10.931 ( -0.582 -3.190 0.000) 3.243 10.931 ( -0.582 -3.190 0.000) 3.243 10.931 ( 0.582 3.190 -0.000) 3.243 10.931 ( 0.582 3.190 0.000) 3.243 11.929 ( -0.021 -8.917 0.000) 8.917 11.929 ( -0.021 -8.917 0.000) 8.917 11.929 ( 0.021 8.917 0.000) 8.917 11.929 ( 0.021 8.917 0.000) 8.917 12.399 ( -0.055 -12.146 0.000) 12.146 12.399 ( -0.055 -12.146 0.000) 12.146 12.399 ( 0.055 12.146 -0.000) 12.146 12.399 ( 0.055 12.146 -0.000) 12.146 14.136 ( -1.903 -0.000 0.000) 1.903 14.136 ( -1.903 -0.000 0.000) 1.903 14.136 ( 1.903 0.000 0.000) 1.903 14.136 ( 1.903 0.000 0.000) 1.903 19.684 ( -0.501 -4.664 0.000) 4.691 19.684 ( -0.500 -4.664 0.000) 4.691 19.684 ( 0.501 4.665 0.000) 4.691 19.684 ( 0.501 4.665 0.000) 4.691 21.007 ( -0.087 -1.599 0.000) 1.601 21.007 ( -0.087 -1.599 0.000) 1.601 21.007 ( 0.087 1.599 0.000) 1.601 21.007 ( 0.087 1.599 0.000) 1.601 23.924 ( -0.124 -2.167 0.000) 2.170 23.924 ( -0.124 -2.167 0.000) 2.170 23.924 ( 0.124 2.167 0.000) 2.170 23.924 ( 0.124 2.167 0.000) 2.170 26.510 ( -0.083 -2.638 0.000) 2.639 26.510 ( -0.083 -2.638 0.000) 2.639 26.510 ( 0.083 2.638 0.000) 2.639 26.510 ( 0.083 2.638 0.000) 2.639 104.263 ( -0.309 -0.391 0.000) 0.499 104.263 ( -0.309 -0.391 0.000) 0.499 104.263 ( 0.309 0.391 0.000) 0.499 104.263 ( 0.309 0.391 0.000) 0.499 105.498 ( -0.362 -0.257 0.000) 0.444 105.498 ( -0.362 -0.257 0.000) 0.444 105.498 ( 0.362 0.257 0.000) 0.444 105.498 ( 0.362 0.257 0.000) 0.444 =================== 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 3/32256 10.0 301.551 341.027 437.917 0.000 0.000 0.000 3/32256 20.0 94.699 233.348 195.848 0.000 0.000 0.000 3/32256 30.0 42.006 130.906 91.868 0.000 0.000 0.000 3/32256 40.0 22.700 81.595 51.619 0.000 0.000 0.000 3/32256 50.0 14.413 58.018 34.116 0.000 0.000 0.000 3/32256 60.0 10.231 44.865 25.054 0.000 0.000 0.000 3/32256 70.0 7.819 36.446 19.638 0.000 0.000 0.000 3/32256 80.0 6.283 30.548 16.058 0.000 0.000 0.000 3/32256 90.0 5.231 26.183 13.525 0.000 0.000 0.000 3/32256 100.0 4.470 22.837 11.648 0.000 0.000 0.000 3/32256 110.0 3.896 20.206 10.209 0.000 0.000 0.000 3/32256 120.0 3.451 18.097 9.077 0.000 0.000 0.000 3/32256 130.0 3.096 16.378 8.168 0.000 0.000 0.000 3/32256 140.0 2.807 14.955 7.423 0.000 0.000 0.000 3/32256 150.0 2.567 13.762 6.805 0.000 0.000 0.000 3/32256 160.0 2.366 12.749 6.284 0.000 0.000 0.000 3/32256 170.0 2.195 11.881 5.839 0.000 0.000 0.000 3/32256 180.0 2.047 11.128 5.456 0.000 0.000 0.000 3/32256 190.0 1.919 10.470 5.122 0.000 0.000 0.000 3/32256 200.0 1.806 9.890 4.829 0.000 0.000 0.000 3/32256 210.0 1.706 9.375 4.569 0.000 0.000 0.000 3/32256 220.0 1.618 8.914 4.338 0.000 0.000 0.000 3/32256 230.0 1.538 8.500 4.130 0.000 0.000 0.000 3/32256 240.0 1.466 8.124 3.942 0.000 0.000 0.000 3/32256 250.0 1.401 7.783 3.772 0.000 0.000 0.000 3/32256 260.0 1.342 7.471 3.616 0.000 0.000 0.000 3/32256 270.0 1.287 7.185 3.474 0.000 0.000 0.000 3/32256 280.0 1.237 6.920 3.343 0.000 0.000 0.000 3/32256 290.0 1.191 6.676 3.222 0.000 0.000 0.000 3/32256 300.0 1.149 6.450 3.110 0.000 0.000 0.000 3/32256 310.0 1.109 6.239 3.006 0.000 0.000 0.000 3/32256 320.0 1.072 6.042 2.909 0.000 0.000 0.000 3/32256 330.0 1.038 5.857 2.818 0.000 0.000 0.000 3/32256 340.0 1.006 5.685 2.734 0.000 0.000 0.000 3/32256 350.0 0.976 5.522 2.654 0.000 0.000 0.000 3/32256 360.0 0.947 5.369 2.579 0.000 0.000 0.000 3/32256 370.0 0.921 5.224 2.508 0.000 0.000 0.000 3/32256 380.0 0.895 5.087 2.441 0.000 0.000 0.000 3/32256 390.0 0.872 4.958 2.378 0.000 0.000 0.000 3/32256 400.0 0.849 4.835 2.318 0.000 0.000 0.000 3/32256 410.0 0.828 4.718 2.261 0.000 0.000 0.000 3/32256 420.0 0.807 4.607 2.207 0.000 0.000 0.000 3/32256 430.0 0.788 4.501 2.155 0.000 0.000 0.000 3/32256 440.0 0.770 4.400 2.106 0.000 0.000 0.000 3/32256 450.0 0.752 4.303 2.059 0.000 0.000 0.000 3/32256 460.0 0.735 4.211 2.014 0.000 0.000 0.000 3/32256 470.0 0.719 4.122 1.972 0.000 0.000 0.000 3/32256 480.0 0.704 4.038 1.930 0.000 0.000 0.000 3/32256 490.0 0.689 3.956 1.891 0.000 0.000 0.000 3/32256 500.0 0.675 3.878 1.853 0.000 0.000 0.000 3/32256 510.0 0.662 3.804 1.817 0.000 0.000 0.000 3/32256 520.0 0.649 3.732 1.782 0.000 0.000 0.000 3/32256 530.0 0.637 3.662 1.749 0.000 0.000 0.000 3/32256 540.0 0.625 3.595 1.717 0.000 0.000 0.000 3/32256 550.0 0.613 3.531 1.686 0.000 0.000 0.000 3/32256 560.0 0.602 3.469 1.656 0.000 0.000 0.000 3/32256 570.0 0.591 3.409 1.627 0.000 0.000 0.000 3/32256 580.0 0.581 3.351 1.599 0.000 0.000 0.000 3/32256 590.0 0.571 3.295 1.572 0.000 0.000 0.000 3/32256 600.0 0.561 3.241 1.546 0.000 0.000 0.000 3/32256 610.0 0.552 3.189 1.521 0.000 0.000 0.000 3/32256 620.0 0.543 3.138 1.496 0.000 0.000 0.000 3/32256 630.0 0.534 3.089 1.473 0.000 0.000 0.000 3/32256 640.0 0.526 3.042 1.450 0.000 0.000 0.000 3/32256 650.0 0.518 2.996 1.428 0.000 0.000 0.000 3/32256 660.0 0.510 2.951 1.406 0.000 0.000 0.000 3/32256 670.0 0.502 2.907 1.385 0.000 0.000 0.000 3/32256 680.0 0.495 2.865 1.365 0.000 0.000 0.000 3/32256 690.0 0.488 2.824 1.346 0.000 0.000 0.000 3/32256 700.0 0.481 2.785 1.326 0.000 0.000 0.000 3/32256 710.0 0.474 2.746 1.308 0.000 0.000 0.000 3/32256 720.0 0.467 2.709 1.290 0.000 0.000 0.000 3/32256 730.0 0.461 2.672 1.272 0.000 0.000 0.000 3/32256 740.0 0.455 2.636 1.255 0.000 0.000 0.000 3/32256 750.0 0.449 2.602 1.239 0.000 0.000 0.000 3/32256 760.0 0.443 2.568 1.223 0.000 0.000 0.000 3/32256 770.0 0.437 2.535 1.207 0.000 0.000 0.000 3/32256 780.0 0.431 2.503 1.191 0.000 0.000 0.000 3/32256 790.0 0.426 2.472 1.176 0.000 0.000 0.000 3/32256 800.0 0.420 2.441 1.162 0.000 0.000 0.000 3/32256 810.0 0.415 2.412 1.148 0.000 0.000 0.000 3/32256 820.0 0.410 2.383 1.134 0.000 0.000 0.000 3/32256 830.0 0.405 2.354 1.120 0.000 0.000 0.000 3/32256 840.0 0.400 2.327 1.107 0.000 0.000 0.000 3/32256 850.0 0.396 2.300 1.094 0.000 0.000 0.000 3/32256 860.0 0.391 2.273 1.081 0.000 0.000 0.000 3/32256 870.0 0.387 2.248 1.069 0.000 0.000 0.000 3/32256 880.0 0.382 2.222 1.057 0.000 0.000 0.000 3/32256 890.0 0.378 2.198 1.045 0.000 0.000 0.000 3/32256 900.0 0.374 2.174 1.034 0.000 0.000 0.000 3/32256 910.0 0.370 2.150 1.022 0.000 0.000 0.000 3/32256 920.0 0.366 2.127 1.011 0.000 0.000 0.000 3/32256 930.0 0.362 2.104 1.001 0.000 0.000 0.000 3/32256 940.0 0.358 2.082 0.990 0.000 0.000 0.000 3/32256 950.0 0.354 2.061 0.980 0.000 0.000 0.000 3/32256 960.0 0.350 2.040 0.970 0.000 0.000 0.000 3/32256 970.0 0.347 2.019 0.960 0.000 0.000 0.000 3/32256 980.0 0.343 1.998 0.950 0.000 0.000 0.000 3/32256 990.0 0.340 1.978 0.940 0.000 0.000 0.000 3/32256 1000.0 0.336 1.959 0.931 0.000 0.000 0.000 3/32256 Thermal conductivity related properties were written into "kappa-m4148.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 04:43:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|