----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:18:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.760070935030909 -4.270292515000000 0.000000000000000 b 5.760070935030909 4.270292515000000 0.000000000000000 c -3.720885179211054 0.000000000000000 11.434918739686127 Atomic positions (fractional): *1 Se 0.81050489597224 0.18949510402776 0.75000000000000 78.960 2 Se 0.18949510402776 0.81050489597224 0.25000000000000 78.960 *3 Se 0.62172480575254 0.35500134042404 0.38130182627481 78.960 4 Se 0.64499865957596 0.37827519424745 0.11869817372519 78.960 5 Se 0.37827519424745 0.64499865957596 0.61869817372519 78.960 6 Se 0.35500134042404 0.62172480575255 0.88130182627481 78.960 *7 Se 0.24336891330487 0.12981127117237 0.53401449781157 78.960 8 Se 0.87018872882763 0.75663108669513 0.96598550218843 78.960 9 Se 0.12981127117237 0.24336891330487 0.03401449781157 78.960 10 Se 0.75663108669513 0.87018872882763 0.46598550218843 78.960 *11 Rb 0.06248798815505 0.41008026718305 0.32292823888386 85.468 12 Rb 0.58991973281695 0.93751201184495 0.17707176111615 85.468 13 Rb 0.93751201184496 0.58991973281695 0.67707176111614 85.468 14 Rb 0.41008026718305 0.06248798815505 0.82292823888386 85.468 *15 Sn 0.55319577673999 0.25308390632108 0.55715084547949 118.710 16 Sn 0.74691609367892 0.44680422326001 0.94284915452051 118.710 17 Sn 0.44680422326001 0.74691609367892 0.44284915452051 118.710 18 Sn 0.25308390632108 0.55319577673999 0.05715084547949 118.710 -------------------------------- unit cell --------------------------------- Lattice vectors: a 11.520141870061819 0.000000000000000 0.000000000000000 b 0.000000000000000 8.540585029999999 0.000000000000000 c -3.720885179211054 0.000000000000000 11.434918739686127 Atomic positions (fractional): *1 Se 0.00000000000000 0.18949510402776 0.75000000000000 78.960 > 1 2 Se 0.00000000000000 0.81050489597224 0.25000000000000 78.960 > 2 *3 Se 0.98836307308829 0.36663826733575 0.38130182627481 78.960 > 3 4 Se 0.01163692691171 0.36663826733575 0.11869817372519 78.960 > 4 5 Se 0.01163692691171 0.63336173266425 0.61869817372519 78.960 > 5 6 Se 0.98836307308829 0.63336173266425 0.88130182627481 78.960 > 6 *7 Se 0.68659009223862 0.44322117893375 0.53401449781157 78.960 > 7 8 Se 0.31340990776138 0.44322117893375 0.96598550218843 78.960 > 8 9 Se 0.68659009223862 0.55677882106625 0.03401449781157 78.960 > 9 10 Se 0.31340990776138 0.55677882106625 0.46598550218843 78.960 > 10 11 Se 0.50000000000000 0.68949510402776 0.75000000000000 78.960 > 1 12 Se 0.50000000000000 0.31050489597224 0.25000000000000 78.960 > 2 13 Se 0.48836307308829 0.86663826733575 0.38130182627481 78.960 > 3 14 Se 0.51163692691171 0.86663826733575 0.11869817372519 78.960 > 4 15 Se 0.51163692691171 0.13336173266425 0.61869817372519 78.960 > 5 16 Se 0.48836307308829 0.13336173266425 0.88130182627481 78.960 > 6 17 Se 0.18659009223862 0.94322117893375 0.53401449781157 78.960 > 7 18 Se 0.81340990776138 0.94322117893375 0.96598550218843 78.960 > 8 19 Se 0.18659009223862 0.05677882106625 0.03401449781157 78.960 > 9 20 Se 0.81340990776138 0.05677882106625 0.46598550218843 78.960 > 10 *21 Rb 0.73628412766905 0.67379613951400 0.32292823888386 85.468 > 11 22 Rb 0.26371587233095 0.67379613951400 0.17707176111615 85.468 > 12 23 Rb 0.26371587233095 0.32620386048600 0.67707176111614 85.468 > 13 24 Rb 0.73628412766905 0.32620386048600 0.82292823888386 85.468 > 14 25 Rb 0.23628412766905 0.17379613951400 0.32292823888386 85.468 > 11 26 Rb 0.76371587233095 0.17379613951400 0.17707176111615 85.468 > 12 27 Rb 0.76371587233095 0.82620386048600 0.67707176111614 85.468 > 13 28 Rb 0.23628412766905 0.82620386048600 0.82292823888386 85.468 > 14 *29 Sn 0.90313984153053 0.34994406479055 0.55715084547949 118.710 > 15 30 Sn 0.09686015846947 0.34994406479055 0.94284915452051 118.710 > 16 31 Sn 0.09686015846947 0.65005593520945 0.44284915452051 118.710 > 17 32 Sn 0.90313984153053 0.65005593520945 0.05715084547949 118.710 > 18 33 Sn 0.40313984153053 0.84994406479055 0.55715084547949 118.710 > 15 34 Sn 0.59686015846947 0.84994406479055 0.94284915452051 118.710 > 16 35 Sn 0.59686015846947 0.15005593520945 0.44284915452051 118.710 > 17 36 Sn 0.40313984153053 0.15005593520945 0.05715084547949 118.710 > 18 -------------------------------- super cell -------------------------------- Lattice vectors: a 23.040283740123638 0.000000000000000 0.000000000000000 b 0.000000000000000 17.081170059999998 0.000000000000000 c -3.720885179211054 0.000000000000000 11.434918739686127 Atomic positions (fractional): *1 Se 0.00000000000000 0.09474755201388 0.75000000000000 78.960 > 1 2 Se 0.50000000000000 0.09474755201388 0.75000000000000 78.960 > 1 3 Se 0.00000000000000 0.59474755201388 0.75000000000000 78.960 > 1 4 Se 0.50000000000000 0.59474755201388 0.75000000000000 78.960 > 1 5 Se 0.00000000000000 0.40525244798612 0.25000000000000 78.960 > 2 6 Se 0.50000000000000 0.40525244798612 0.25000000000000 78.960 > 2 7 Se 0.00000000000000 0.90525244798612 0.25000000000000 78.960 > 2 8 Se 0.50000000000000 0.90525244798612 0.25000000000000 78.960 > 2 *9 Se 0.49418153654415 0.18331913366787 0.38130182627481 78.960 > 3 10 Se 0.99418153654415 0.18331913366787 0.38130182627481 78.960 > 3 11 Se 0.49418153654415 0.68331913366787 0.38130182627481 78.960 > 3 12 Se 0.99418153654415 0.68331913366787 0.38130182627481 78.960 > 3 13 Se 0.00581846345585 0.18331913366787 0.11869817372519 78.960 > 4 14 Se 0.50581846345585 0.18331913366787 0.11869817372519 78.960 > 4 15 Se 0.00581846345585 0.68331913366787 0.11869817372519 78.960 > 4 16 Se 0.50581846345585 0.68331913366787 0.11869817372519 78.960 > 4 17 Se 0.00581846345585 0.31668086633213 0.61869817372519 78.960 > 5 18 Se 0.50581846345585 0.31668086633213 0.61869817372519 78.960 > 5 19 Se 0.00581846345585 0.81668086633213 0.61869817372519 78.960 > 5 20 Se 0.50581846345585 0.81668086633213 0.61869817372519 78.960 > 5 21 Se 0.49418153654415 0.31668086633213 0.88130182627481 78.960 > 6 22 Se 0.99418153654415 0.31668086633213 0.88130182627481 78.960 > 6 23 Se 0.49418153654415 0.81668086633213 0.88130182627481 78.960 > 6 24 Se 0.99418153654415 0.81668086633213 0.88130182627481 78.960 > 6 *25 Se 0.34329504611931 0.22161058946687 0.53401449781157 78.960 > 7 26 Se 0.84329504611931 0.22161058946687 0.53401449781157 78.960 > 7 27 Se 0.34329504611931 0.72161058946687 0.53401449781157 78.960 > 7 28 Se 0.84329504611931 0.72161058946687 0.53401449781157 78.960 > 7 29 Se 0.15670495388069 0.22161058946687 0.96598550218843 78.960 > 8 30 Se 0.65670495388069 0.22161058946687 0.96598550218843 78.960 > 8 31 Se 0.15670495388069 0.72161058946687 0.96598550218843 78.960 > 8 32 Se 0.65670495388069 0.72161058946687 0.96598550218843 78.960 > 8 33 Se 0.34329504611931 0.27838941053313 0.03401449781157 78.960 > 9 34 Se 0.84329504611931 0.27838941053313 0.03401449781157 78.960 > 9 35 Se 0.34329504611931 0.77838941053313 0.03401449781157 78.960 > 9 36 Se 0.84329504611931 0.77838941053313 0.03401449781157 78.960 > 9 37 Se 0.15670495388069 0.27838941053313 0.46598550218843 78.960 > 10 38 Se 0.65670495388069 0.27838941053313 0.46598550218843 78.960 > 10 39 Se 0.15670495388069 0.77838941053313 0.46598550218843 78.960 > 10 40 Se 0.65670495388069 0.77838941053313 0.46598550218843 78.960 > 10 41 Se 0.25000000000000 0.34474755201388 0.75000000000000 78.960 > 1 42 Se 0.75000000000000 0.34474755201388 0.75000000000000 78.960 > 1 43 Se 0.25000000000000 0.84474755201388 0.75000000000000 78.960 > 1 44 Se 0.75000000000000 0.84474755201388 0.75000000000000 78.960 > 1 45 Se 0.25000000000000 0.15525244798612 0.25000000000000 78.960 > 2 46 Se 0.75000000000000 0.15525244798612 0.25000000000000 78.960 > 2 47 Se 0.25000000000000 0.65525244798612 0.25000000000000 78.960 > 2 48 Se 0.75000000000000 0.65525244798612 0.25000000000000 78.960 > 2 49 Se 0.24418153654415 0.43331913366787 0.38130182627481 78.960 > 3 50 Se 0.74418153654415 0.43331913366787 0.38130182627481 78.960 > 3 51 Se 0.24418153654415 0.93331913366787 0.38130182627481 78.960 > 3 52 Se 0.74418153654415 0.93331913366787 0.38130182627481 78.960 > 3 53 Se 0.25581846345585 0.43331913366787 0.11869817372519 78.960 > 4 54 Se 0.75581846345585 0.43331913366787 0.11869817372519 78.960 > 4 55 Se 0.25581846345585 0.93331913366787 0.11869817372519 78.960 > 4 56 Se 0.75581846345585 0.93331913366787 0.11869817372519 78.960 > 4 57 Se 0.25581846345585 0.06668086633213 0.61869817372519 78.960 > 5 58 Se 0.75581846345585 0.06668086633213 0.61869817372519 78.960 > 5 59 Se 0.25581846345585 0.56668086633213 0.61869817372519 78.960 > 5 60 Se 0.75581846345585 0.56668086633213 0.61869817372519 78.960 > 5 61 Se 0.24418153654415 0.06668086633213 0.88130182627481 78.960 > 6 62 Se 0.74418153654415 0.06668086633213 0.88130182627481 78.960 > 6 63 Se 0.24418153654415 0.56668086633213 0.88130182627481 78.960 > 6 64 Se 0.74418153654415 0.56668086633213 0.88130182627481 78.960 > 6 65 Se 0.09329504611931 0.47161058946687 0.53401449781157 78.960 > 7 66 Se 0.59329504611931 0.47161058946687 0.53401449781157 78.960 > 7 67 Se 0.09329504611931 0.97161058946687 0.53401449781157 78.960 > 7 68 Se 0.59329504611931 0.97161058946687 0.53401449781157 78.960 > 7 69 Se 0.40670495388069 0.47161058946687 0.96598550218843 78.960 > 8 70 Se 0.90670495388069 0.47161058946687 0.96598550218843 78.960 > 8 71 Se 0.40670495388069 0.97161058946687 0.96598550218843 78.960 > 8 72 Se 0.90670495388069 0.97161058946687 0.96598550218843 78.960 > 8 73 Se 0.09329504611931 0.02838941053313 0.03401449781157 78.960 > 9 74 Se 0.59329504611931 0.02838941053313 0.03401449781157 78.960 > 9 75 Se 0.09329504611931 0.52838941053313 0.03401449781157 78.960 > 9 76 Se 0.59329504611931 0.52838941053313 0.03401449781157 78.960 > 9 77 Se 0.40670495388069 0.02838941053313 0.46598550218843 78.960 > 10 78 Se 0.90670495388069 0.02838941053313 0.46598550218843 78.960 > 10 79 Se 0.40670495388069 0.52838941053313 0.46598550218843 78.960 > 10 80 Se 0.90670495388069 0.52838941053313 0.46598550218843 78.960 > 10 *81 Rb 0.36814206383452 0.33689806975700 0.32292823888386 85.468 > 11 82 Rb 0.86814206383452 0.33689806975700 0.32292823888386 85.468 > 11 83 Rb 0.36814206383452 0.83689806975700 0.32292823888386 85.468 > 11 84 Rb 0.86814206383452 0.83689806975700 0.32292823888386 85.468 > 11 85 Rb 0.13185793616548 0.33689806975700 0.17707176111615 85.468 > 12 86 Rb 0.63185793616548 0.33689806975700 0.17707176111615 85.468 > 12 87 Rb 0.13185793616548 0.83689806975700 0.17707176111615 85.468 > 12 88 Rb 0.63185793616548 0.83689806975700 0.17707176111615 85.468 > 12 89 Rb 0.13185793616548 0.16310193024300 0.67707176111614 85.468 > 13 90 Rb 0.63185793616548 0.16310193024300 0.67707176111614 85.468 > 13 91 Rb 0.13185793616548 0.66310193024300 0.67707176111614 85.468 > 13 92 Rb 0.63185793616548 0.66310193024300 0.67707176111614 85.468 > 13 93 Rb 0.36814206383452 0.16310193024300 0.82292823888386 85.468 > 14 94 Rb 0.86814206383452 0.16310193024300 0.82292823888386 85.468 > 14 95 Rb 0.36814206383452 0.66310193024300 0.82292823888386 85.468 > 14 96 Rb 0.86814206383452 0.66310193024300 0.82292823888386 85.468 > 14 97 Rb 0.11814206383452 0.08689806975700 0.32292823888386 85.468 > 11 98 Rb 0.61814206383452 0.08689806975700 0.32292823888386 85.468 > 11 99 Rb 0.11814206383452 0.58689806975700 0.32292823888386 85.468 > 11 100 Rb 0.61814206383452 0.58689806975700 0.32292823888386 85.468 > 11 101 Rb 0.38185793616548 0.08689806975700 0.17707176111615 85.468 > 12 102 Rb 0.88185793616548 0.08689806975700 0.17707176111615 85.468 > 12 103 Rb 0.38185793616548 0.58689806975700 0.17707176111615 85.468 > 12 104 Rb 0.88185793616548 0.58689806975700 0.17707176111615 85.468 > 12 105 Rb 0.38185793616548 0.41310193024300 0.67707176111614 85.468 > 13 106 Rb 0.88185793616548 0.41310193024300 0.67707176111614 85.468 > 13 107 Rb 0.38185793616548 0.91310193024300 0.67707176111614 85.468 > 13 108 Rb 0.88185793616548 0.91310193024300 0.67707176111614 85.468 > 13 109 Rb 0.11814206383452 0.41310193024300 0.82292823888386 85.468 > 14 110 Rb 0.61814206383452 0.41310193024300 0.82292823888386 85.468 > 14 111 Rb 0.11814206383452 0.91310193024300 0.82292823888386 85.468 > 14 112 Rb 0.61814206383452 0.91310193024300 0.82292823888386 85.468 > 14 *113 Sn 0.45156992076527 0.17497203239527 0.55715084547949 118.710 > 15 114 Sn 0.95156992076527 0.17497203239527 0.55715084547949 118.710 > 15 115 Sn 0.45156992076527 0.67497203239527 0.55715084547949 118.710 > 15 116 Sn 0.95156992076527 0.67497203239527 0.55715084547949 118.710 > 15 117 Sn 0.04843007923473 0.17497203239527 0.94284915452051 118.710 > 16 118 Sn 0.54843007923473 0.17497203239527 0.94284915452051 118.710 > 16 119 Sn 0.04843007923473 0.67497203239527 0.94284915452051 118.710 > 16 120 Sn 0.54843007923473 0.67497203239527 0.94284915452051 118.710 > 16 121 Sn 0.04843007923473 0.32502796760473 0.44284915452051 118.710 > 17 122 Sn 0.54843007923473 0.32502796760473 0.44284915452051 118.710 > 17 123 Sn 0.04843007923473 0.82502796760473 0.44284915452051 118.710 > 17 124 Sn 0.54843007923473 0.82502796760473 0.44284915452051 118.710 > 17 125 Sn 0.45156992076527 0.32502796760473 0.05715084547949 118.710 > 18 126 Sn 0.95156992076527 0.32502796760473 0.05715084547949 118.710 > 18 127 Sn 0.45156992076527 0.82502796760473 0.05715084547949 118.710 > 18 128 Sn 0.95156992076527 0.82502796760473 0.05715084547949 118.710 > 18 129 Sn 0.20156992076527 0.42497203239527 0.55715084547949 118.710 > 15 130 Sn 0.70156992076527 0.42497203239527 0.55715084547949 118.710 > 15 131 Sn 0.20156992076527 0.92497203239527 0.55715084547949 118.710 > 15 132 Sn 0.70156992076527 0.92497203239527 0.55715084547949 118.710 > 15 133 Sn 0.29843007923473 0.42497203239527 0.94284915452051 118.710 > 16 134 Sn 0.79843007923473 0.42497203239527 0.94284915452051 118.710 > 16 135 Sn 0.29843007923473 0.92497203239527 0.94284915452051 118.710 > 16 136 Sn 0.79843007923473 0.92497203239527 0.94284915452051 118.710 > 16 137 Sn 0.29843007923473 0.07502796760473 0.44284915452051 118.710 > 17 138 Sn 0.79843007923473 0.07502796760473 0.44284915452051 118.710 > 17 139 Sn 0.29843007923473 0.57502796760473 0.44284915452051 118.710 > 17 140 Sn 0.79843007923473 0.57502796760473 0.44284915452051 118.710 > 17 141 Sn 0.20156992076527 0.07502796760473 0.05715084547949 118.710 > 18 142 Sn 0.70156992076527 0.07502796760473 0.05715084547949 118.710 > 18 143 Sn 0.20156992076527 0.57502796760473 0.05715084547949 118.710 > 18 144 Sn 0.70156992076527 0.57502796760473 0.05715084547949 118.710 > 18 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.4402078 0.0000000 -0.5466336 0.0000000 6.0758382 0.0000000 -0.5466278 0.0000000 9.3921319 -------------------------- Born effective charges -------------------------- 1 Se -1.1601460 0.0000000 -0.0314251 0.0000000 -1.5719392 0.0000000 0.1113608 0.0000000 -2.3056297 2 Se -1.1601460 0.0000000 -0.0314251 0.0000000 -1.5719392 0.0000000 0.1113608 0.0000000 -2.3056297 3 Se -2.0480098 -0.5133767 0.3060493 -0.6511683 -1.8282787 -0.1544945 0.3151601 0.0739376 -1.7607905 4 Se -2.0480098 0.5133767 0.3060493 0.6511683 -1.8282787 0.1544945 0.3151601 -0.0739376 -1.7607905 5 Se -2.0480098 -0.5133767 0.3060493 -0.6511683 -1.8282787 -0.1544945 0.3151601 0.0739376 -1.7607905 6 Se -2.0480098 0.5133767 0.3060493 0.6511683 -1.8282787 0.1544945 0.3151601 -0.0739376 -1.7607905 7 Se -2.4895471 -0.6945448 -0.6267414 -0.7015494 -1.8929279 -0.3791750 -0.4680213 -0.0548821 -1.6796253 8 Se -2.4895471 0.6945448 -0.6267414 0.7015494 -1.8929279 0.3791750 -0.4680213 0.0548821 -1.6796253 9 Se -2.4895471 0.6945448 -0.6267414 0.7015494 -1.8929279 0.3791750 -0.4680213 0.0548821 -1.6796253 10 Se -2.4895471 -0.6945448 -0.6267414 -0.7015494 -1.8929279 -0.3791750 -0.4680213 -0.0548821 -1.6796253 11 Rb 1.2270065 -0.0930785 0.0162805 -0.0949522 1.3153089 -0.2133637 -0.0070076 0.0455389 1.3330695 12 Rb 1.2270065 0.0930785 0.0162805 0.0949522 1.3153089 0.2133637 -0.0070076 -0.0455389 1.3330695 13 Rb 1.2270065 -0.0930785 0.0162805 -0.0949522 1.3153089 -0.2133637 -0.0070076 0.0455389 1.3330695 14 Rb 1.2270065 0.0930785 0.0162805 0.0949522 1.3153089 0.2133637 -0.0070076 -0.0455389 1.3330695 15 Sn 3.8906233 1.1582556 0.3201242 1.4548752 3.1918673 0.2453023 0.1041884 -0.8343276 3.2601611 16 Sn 3.8906233 -1.1582556 0.3201242 -1.4548752 3.1918673 -0.2453023 0.1041884 0.8343276 3.2601611 17 Sn 3.8906233 1.1582556 0.3201242 1.4548752 3.1918673 0.2453023 0.1041884 -0.8343276 3.2601611 18 Sn 3.8906233 -1.1582556 0.3201242 -1.4548752 3.1918673 -0.2453023 0.1041884 0.8343276 3.2601611 ---------------------------------------------------------------------------- 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: 14256/14256 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3053 Number of blocks in projector: 3053 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: 652 Use submatrix version of eigh solver. (1) Block: 500 / 652 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 243 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 652 / 652 (1) 147 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 5 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 644 Use submatrix version of eigh solver. (1) Block: 500 / 644 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 644 / 644 (1) 137 eigenvectors found. (1) Complementary block size: 15 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 644 Use submatrix version of eigh solver. (1) Block: 500 / 644 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 644 / 644 (1) 137 eigenvectors found. (1) Complementary block size: 15 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 371 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 371 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 371 Use standard eigh solver. Tree of FC basis block matrices: - (3053, 3013), data: False |-- (371, 366), data: True |-- (371, 366), data: True |-- (371, 366), data: True |-- (644, 636), data: False |-- (644, 7), data: (644, 15) @ (15, 7) |-- (144, 137), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (644, 636), data: False |-- (644, 7), data: (644, 15) @ (15, 7) |-- (144, 137), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (652, 643), data: False |-- (652, 5), data: (652, 14) @ (14, 5) |-- (152, 147), data: True |-- (500, 491), data: False |-- (500, 7), data: (500, 16) @ (16, 7) |-- (250, 243), data: True |-- (250, 241), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 560 - Time: 1.170 Solver_block: 200 / 560 - Time: 1.161 Solver_block: 300 / 560 - Time: 1.196 Solver_block: 400 / 560 - Time: 1.158 Solver_block: 500 / 560 - Time: 1.195 Solver_block: 560 / 560 - Time: 0.757 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.762 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 14256/14256 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3053 Number of blocks in projector: 3053 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: 652 Use submatrix version of eigh solver. (1) Block: 500 / 652 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 243 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 652 / 652 (1) 147 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 5 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 644 Use submatrix version of eigh solver. (1) Block: 500 / 644 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 644 / 644 (1) 137 eigenvectors found. (1) Complementary block size: 15 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 644 Use submatrix version of eigh solver. (1) Block: 500 / 644 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 644 / 644 (1) 137 eigenvectors found. (1) Complementary block size: 15 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 371 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 371 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 371 Use standard eigh solver. Tree of FC basis block matrices: - (3053, 3013), data: False |-- (371, 366), data: True |-- (371, 366), data: True |-- (371, 366), data: True |-- (644, 636), data: False |-- (644, 7), data: (644, 15) @ (15, 7) |-- (144, 137), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (644, 636), data: False |-- (644, 7), data: (644, 15) @ (15, 7) |-- (144, 137), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (652, 643), data: False |-- (652, 5), data: (652, 14) @ (14, 5) |-- (152, 147), data: True |-- (500, 491), data: False |-- (500, 7), data: (500, 16) @ (16, 7) |-- (250, 243), data: True |-- (250, 241), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yz) -0.00000000 (yz) 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 2026-01-07 23:18:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:18:42]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.760070935030909 -4.270292515000000 0.000000000000000 b 5.760070935030909 4.270292515000000 0.000000000000000 c -3.720885179211054 0.000000000000000 11.434918739686127 Atomic positions (fractional): 1 Se 0.81050489597224 0.18949510402776 0.75000000000000 78.960 2 Se 0.18949510402776 0.81050489597224 0.25000000000000 78.960 3 Se 0.62172480575254 0.35500134042404 0.38130182627481 78.960 4 Se 0.64499865957596 0.37827519424745 0.11869817372519 78.960 5 Se 0.37827519424745 0.64499865957596 0.61869817372519 78.960 6 Se 0.35500134042404 0.62172480575255 0.88130182627481 78.960 7 Se 0.24336891330487 0.12981127117237 0.53401449781157 78.960 8 Se 0.87018872882763 0.75663108669513 0.96598550218843 78.960 9 Se 0.12981127117237 0.24336891330487 0.03401449781157 78.960 10 Se 0.75663108669513 0.87018872882763 0.46598550218843 78.960 11 Rb 0.06248798815505 0.41008026718305 0.32292823888386 85.468 12 Rb 0.58991973281695 0.93751201184495 0.17707176111615 85.468 13 Rb 0.93751201184496 0.58991973281695 0.67707176111614 85.468 14 Rb 0.41008026718305 0.06248798815505 0.82292823888386 85.468 15 Sn 0.55319577673999 0.25308390632108 0.55715084547949 118.710 16 Sn 0.74691609367892 0.44680422326001 0.94284915452051 118.710 17 Sn 0.44680422326001 0.74691609367892 0.44284915452051 118.710 18 Sn 0.25308390632108 0.55319577673999 0.05715084547949 118.710 -------------------------------- supercell --------------------------------- Lattice vectors: a 23.040283740123638 0.000000000000000 0.000000000000000 b 0.000000000000000 17.081170059999998 0.000000000000000 c -3.720885179211054 0.000000000000000 11.434918739686127 Atomic positions (fractional): 1 Se 0.00000000000000 0.09474755201388 0.75000000000000 78.960 > 1 2 Se 0.50000000000000 0.09474755201388 0.75000000000000 78.960 > 1 3 Se 0.00000000000000 0.59474755201388 0.75000000000000 78.960 > 1 4 Se 0.50000000000000 0.59474755201388 0.75000000000000 78.960 > 1 5 Se 0.00000000000000 0.40525244798612 0.25000000000000 78.960 > 5 6 Se 0.50000000000000 0.40525244798612 0.25000000000000 78.960 > 5 7 Se 0.00000000000000 0.90525244798612 0.25000000000000 78.960 > 5 8 Se 0.50000000000000 0.90525244798612 0.25000000000000 78.960 > 5 9 Se 0.49418153654415 0.18331913366787 0.38130182627481 78.960 > 9 10 Se 0.99418153654415 0.18331913366787 0.38130182627481 78.960 > 9 11 Se 0.49418153654415 0.68331913366787 0.38130182627481 78.960 > 9 12 Se 0.99418153654415 0.68331913366787 0.38130182627481 78.960 > 9 13 Se 0.00581846345585 0.18331913366787 0.11869817372519 78.960 > 13 14 Se 0.50581846345585 0.18331913366787 0.11869817372519 78.960 > 13 15 Se 0.00581846345585 0.68331913366787 0.11869817372519 78.960 > 13 16 Se 0.50581846345585 0.68331913366787 0.11869817372519 78.960 > 13 17 Se 0.00581846345585 0.31668086633213 0.61869817372519 78.960 > 17 18 Se 0.50581846345585 0.31668086633213 0.61869817372519 78.960 > 17 19 Se 0.00581846345585 0.81668086633213 0.61869817372519 78.960 > 17 20 Se 0.50581846345585 0.81668086633213 0.61869817372519 78.960 > 17 21 Se 0.49418153654415 0.31668086633213 0.88130182627481 78.960 > 21 22 Se 0.99418153654415 0.31668086633213 0.88130182627481 78.960 > 21 23 Se 0.49418153654415 0.81668086633213 0.88130182627481 78.960 > 21 24 Se 0.99418153654415 0.81668086633213 0.88130182627481 78.960 > 21 25 Se 0.34329504611931 0.22161058946687 0.53401449781157 78.960 > 25 26 Se 0.84329504611931 0.22161058946687 0.53401449781157 78.960 > 25 27 Se 0.34329504611931 0.72161058946687 0.53401449781157 78.960 > 25 28 Se 0.84329504611931 0.72161058946687 0.53401449781157 78.960 > 25 29 Se 0.15670495388069 0.22161058946687 0.96598550218843 78.960 > 29 30 Se 0.65670495388069 0.22161058946687 0.96598550218843 78.960 > 29 31 Se 0.15670495388069 0.72161058946687 0.96598550218843 78.960 > 29 32 Se 0.65670495388069 0.72161058946687 0.96598550218843 78.960 > 29 33 Se 0.34329504611931 0.27838941053313 0.03401449781157 78.960 > 33 34 Se 0.84329504611931 0.27838941053313 0.03401449781157 78.960 > 33 35 Se 0.34329504611931 0.77838941053313 0.03401449781157 78.960 > 33 36 Se 0.84329504611931 0.77838941053313 0.03401449781157 78.960 > 33 37 Se 0.15670495388069 0.27838941053313 0.46598550218843 78.960 > 37 38 Se 0.65670495388069 0.27838941053313 0.46598550218843 78.960 > 37 39 Se 0.15670495388069 0.77838941053313 0.46598550218843 78.960 > 37 40 Se 0.65670495388069 0.77838941053313 0.46598550218843 78.960 > 37 41 Se 0.25000000000000 0.34474755201388 0.75000000000000 78.960 > 1 42 Se 0.75000000000000 0.34474755201388 0.75000000000000 78.960 > 1 43 Se 0.25000000000000 0.84474755201388 0.75000000000000 78.960 > 1 44 Se 0.75000000000000 0.84474755201388 0.75000000000000 78.960 > 1 45 Se 0.25000000000000 0.15525244798612 0.25000000000000 78.960 > 5 46 Se 0.75000000000000 0.15525244798612 0.25000000000000 78.960 > 5 47 Se 0.25000000000000 0.65525244798612 0.25000000000000 78.960 > 5 48 Se 0.75000000000000 0.65525244798612 0.25000000000000 78.960 > 5 49 Se 0.24418153654415 0.43331913366787 0.38130182627481 78.960 > 9 50 Se 0.74418153654415 0.43331913366787 0.38130182627481 78.960 > 9 51 Se 0.24418153654415 0.93331913366787 0.38130182627481 78.960 > 9 52 Se 0.74418153654415 0.93331913366787 0.38130182627481 78.960 > 9 53 Se 0.25581846345585 0.43331913366787 0.11869817372519 78.960 > 13 54 Se 0.75581846345585 0.43331913366787 0.11869817372519 78.960 > 13 55 Se 0.25581846345585 0.93331913366787 0.11869817372519 78.960 > 13 56 Se 0.75581846345585 0.93331913366787 0.11869817372519 78.960 > 13 57 Se 0.25581846345585 0.06668086633213 0.61869817372519 78.960 > 17 58 Se 0.75581846345585 0.06668086633213 0.61869817372519 78.960 > 17 59 Se 0.25581846345585 0.56668086633213 0.61869817372519 78.960 > 17 60 Se 0.75581846345585 0.56668086633213 0.61869817372519 78.960 > 17 61 Se 0.24418153654415 0.06668086633213 0.88130182627481 78.960 > 21 62 Se 0.74418153654415 0.06668086633213 0.88130182627481 78.960 > 21 63 Se 0.24418153654415 0.56668086633213 0.88130182627481 78.960 > 21 64 Se 0.74418153654415 0.56668086633213 0.88130182627481 78.960 > 21 65 Se 0.09329504611931 0.47161058946687 0.53401449781157 78.960 > 25 66 Se 0.59329504611931 0.47161058946687 0.53401449781157 78.960 > 25 67 Se 0.09329504611931 0.97161058946687 0.53401449781157 78.960 > 25 68 Se 0.59329504611931 0.97161058946687 0.53401449781157 78.960 > 25 69 Se 0.40670495388069 0.47161058946687 0.96598550218843 78.960 > 29 70 Se 0.90670495388069 0.47161058946687 0.96598550218843 78.960 > 29 71 Se 0.40670495388069 0.97161058946687 0.96598550218843 78.960 > 29 72 Se 0.90670495388069 0.97161058946687 0.96598550218843 78.960 > 29 73 Se 0.09329504611931 0.02838941053313 0.03401449781157 78.960 > 33 74 Se 0.59329504611931 0.02838941053313 0.03401449781157 78.960 > 33 75 Se 0.09329504611931 0.52838941053313 0.03401449781157 78.960 > 33 76 Se 0.59329504611931 0.52838941053313 0.03401449781157 78.960 > 33 77 Se 0.40670495388069 0.02838941053313 0.46598550218843 78.960 > 37 78 Se 0.90670495388069 0.02838941053313 0.46598550218843 78.960 > 37 79 Se 0.40670495388069 0.52838941053313 0.46598550218843 78.960 > 37 80 Se 0.90670495388069 0.52838941053313 0.46598550218843 78.960 > 37 81 Rb 0.36814206383452 0.33689806975700 0.32292823888386 85.468 > 81 82 Rb 0.86814206383452 0.33689806975700 0.32292823888386 85.468 > 81 83 Rb 0.36814206383452 0.83689806975700 0.32292823888386 85.468 > 81 84 Rb 0.86814206383452 0.83689806975700 0.32292823888386 85.468 > 81 85 Rb 0.13185793616548 0.33689806975700 0.17707176111615 85.468 > 85 86 Rb 0.63185793616548 0.33689806975700 0.17707176111615 85.468 > 85 87 Rb 0.13185793616548 0.83689806975700 0.17707176111615 85.468 > 85 88 Rb 0.63185793616548 0.83689806975700 0.17707176111615 85.468 > 85 89 Rb 0.13185793616548 0.16310193024300 0.67707176111614 85.468 > 89 90 Rb 0.63185793616548 0.16310193024300 0.67707176111614 85.468 > 89 91 Rb 0.13185793616548 0.66310193024300 0.67707176111614 85.468 > 89 92 Rb 0.63185793616548 0.66310193024300 0.67707176111614 85.468 > 89 93 Rb 0.36814206383452 0.16310193024300 0.82292823888386 85.468 > 93 94 Rb 0.86814206383452 0.16310193024300 0.82292823888386 85.468 > 93 95 Rb 0.36814206383452 0.66310193024300 0.82292823888386 85.468 > 93 96 Rb 0.86814206383452 0.66310193024300 0.82292823888386 85.468 > 93 97 Rb 0.11814206383452 0.08689806975700 0.32292823888386 85.468 > 81 98 Rb 0.61814206383452 0.08689806975700 0.32292823888386 85.468 > 81 99 Rb 0.11814206383452 0.58689806975700 0.32292823888386 85.468 > 81 100 Rb 0.61814206383452 0.58689806975700 0.32292823888386 85.468 > 81 101 Rb 0.38185793616548 0.08689806975700 0.17707176111615 85.468 > 85 102 Rb 0.88185793616548 0.08689806975700 0.17707176111615 85.468 > 85 103 Rb 0.38185793616548 0.58689806975700 0.17707176111615 85.468 > 85 104 Rb 0.88185793616548 0.58689806975700 0.17707176111615 85.468 > 85 105 Rb 0.38185793616548 0.41310193024300 0.67707176111614 85.468 > 89 106 Rb 0.88185793616548 0.41310193024300 0.67707176111614 85.468 > 89 107 Rb 0.38185793616548 0.91310193024300 0.67707176111614 85.468 > 89 108 Rb 0.88185793616548 0.91310193024300 0.67707176111614 85.468 > 89 109 Rb 0.11814206383452 0.41310193024300 0.82292823888386 85.468 > 93 110 Rb 0.61814206383452 0.41310193024300 0.82292823888386 85.468 > 93 111 Rb 0.11814206383452 0.91310193024300 0.82292823888386 85.468 > 93 112 Rb 0.61814206383452 0.91310193024300 0.82292823888386 85.468 > 93 113 Sn 0.45156992076527 0.17497203239527 0.55715084547949 118.710 > 113 114 Sn 0.95156992076527 0.17497203239527 0.55715084547949 118.710 > 113 115 Sn 0.45156992076527 0.67497203239527 0.55715084547949 118.710 > 113 116 Sn 0.95156992076527 0.67497203239527 0.55715084547949 118.710 > 113 117 Sn 0.04843007923473 0.17497203239527 0.94284915452051 118.710 > 117 118 Sn 0.54843007923473 0.17497203239527 0.94284915452051 118.710 > 117 119 Sn 0.04843007923473 0.67497203239527 0.94284915452051 118.710 > 117 120 Sn 0.54843007923473 0.67497203239527 0.94284915452051 118.710 > 117 121 Sn 0.04843007923473 0.32502796760473 0.44284915452051 118.710 > 121 122 Sn 0.54843007923473 0.32502796760473 0.44284915452051 118.710 > 121 123 Sn 0.04843007923473 0.82502796760473 0.44284915452051 118.710 > 121 124 Sn 0.54843007923473 0.82502796760473 0.44284915452051 118.710 > 121 125 Sn 0.45156992076527 0.32502796760473 0.05715084547949 118.710 > 125 126 Sn 0.95156992076527 0.32502796760473 0.05715084547949 118.710 > 125 127 Sn 0.45156992076527 0.82502796760473 0.05715084547949 118.710 > 125 128 Sn 0.95156992076527 0.82502796760473 0.05715084547949 118.710 > 125 129 Sn 0.20156992076527 0.42497203239527 0.55715084547949 118.710 > 113 130 Sn 0.70156992076527 0.42497203239527 0.55715084547949 118.710 > 113 131 Sn 0.20156992076527 0.92497203239527 0.55715084547949 118.710 > 113 132 Sn 0.70156992076527 0.92497203239527 0.55715084547949 118.710 > 113 133 Sn 0.29843007923473 0.42497203239527 0.94284915452051 118.710 > 117 134 Sn 0.79843007923473 0.42497203239527 0.94284915452051 118.710 > 117 135 Sn 0.29843007923473 0.92497203239527 0.94284915452051 118.710 > 117 136 Sn 0.79843007923473 0.92497203239527 0.94284915452051 118.710 > 117 137 Sn 0.29843007923473 0.07502796760473 0.44284915452051 118.710 > 121 138 Sn 0.79843007923473 0.07502796760473 0.44284915452051 118.710 > 121 139 Sn 0.29843007923473 0.57502796760473 0.44284915452051 118.710 > 121 140 Sn 0.79843007923473 0.57502796760473 0.44284915452051 118.710 > 121 141 Sn 0.20156992076527 0.07502796760473 0.05715084547949 118.710 > 125 142 Sn 0.70156992076527 0.07502796760473 0.05715084547949 118.710 > 125 143 Sn 0.20156992076527 0.57502796760473 0.05715084547949 118.710 > 125 144 Sn 0.70156992076527 0.57502796760473 0.05715084547949 118.710 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.4402078 0.0000000 -0.5466336 0.0000000 6.0758382 0.0000000 -0.5466278 0.0000000 9.3921319 -------------------------- Born effective charges -------------------------- 1 Se -1.1601460 0.0000000 -0.0314251 0.0000000 -1.5719392 0.0000000 0.1113608 0.0000000 -2.3056297 2 Se -1.1601460 0.0000000 -0.0314251 0.0000000 -1.5719392 0.0000000 0.1113608 0.0000000 -2.3056297 3 Se -2.0480098 -0.5133767 0.3060493 -0.6511683 -1.8282787 -0.1544945 0.3151601 0.0739376 -1.7607905 4 Se -2.0480098 0.5133767 0.3060493 0.6511683 -1.8282787 0.1544945 0.3151601 -0.0739376 -1.7607905 5 Se -2.0480098 -0.5133767 0.3060493 -0.6511683 -1.8282787 -0.1544945 0.3151601 0.0739376 -1.7607905 6 Se -2.0480098 0.5133767 0.3060493 0.6511683 -1.8282787 0.1544945 0.3151601 -0.0739376 -1.7607905 7 Se -2.4895471 -0.6945448 -0.6267414 -0.7015494 -1.8929279 -0.3791750 -0.4680213 -0.0548821 -1.6796253 8 Se -2.4895471 0.6945448 -0.6267414 0.7015494 -1.8929279 0.3791750 -0.4680213 0.0548821 -1.6796253 9 Se -2.4895471 0.6945448 -0.6267414 0.7015494 -1.8929279 0.3791750 -0.4680213 0.0548821 -1.6796253 10 Se -2.4895471 -0.6945448 -0.6267414 -0.7015494 -1.8929279 -0.3791750 -0.4680213 -0.0548821 -1.6796253 11 Rb 1.2270065 -0.0930785 0.0162805 -0.0949522 1.3153089 -0.2133637 -0.0070076 0.0455389 1.3330695 12 Rb 1.2270065 0.0930785 0.0162805 0.0949522 1.3153089 0.2133637 -0.0070076 -0.0455389 1.3330695 13 Rb 1.2270065 -0.0930785 0.0162805 -0.0949522 1.3153089 -0.2133637 -0.0070076 0.0455389 1.3330695 14 Rb 1.2270065 0.0930785 0.0162805 0.0949522 1.3153089 0.2133637 -0.0070076 -0.0455389 1.3330695 15 Sn 3.8906233 1.1582556 0.3201242 1.4548752 3.1918673 0.2453023 0.1041884 -0.8343276 3.2601611 16 Sn 3.8906233 -1.1582556 0.3201242 -1.4548752 3.1918673 -0.2453023 0.1041884 0.8343276 3.2601611 17 Sn 3.8906233 1.1582556 0.3201242 1.4548752 3.1918673 0.2453023 0.1041884 -0.8343276 3.2601611 18 Sn 3.8906233 -1.1582556 0.3201242 -1.4548752 3.1918673 -0.2453023 0.1041884 0.8343276 3.2601611 ---------------------------------------------------------------------------- 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 9, 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 81, 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 113, 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] 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 (xy) -0.00000000 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:19:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:19:14]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.760070935030909 -4.270292515000000 0.000000000000000 b 5.760070935030909 4.270292515000000 0.000000000000000 c -3.720885179211054 0.000000000000000 11.434918739686127 Atomic positions (fractional): 1 Se 0.81050489597224 0.18949510402776 0.75000000000000 78.960 2 Se 0.18949510402776 0.81050489597224 0.25000000000000 78.960 3 Se 0.62172480575254 0.35500134042404 0.38130182627481 78.960 4 Se 0.64499865957596 0.37827519424745 0.11869817372519 78.960 5 Se 0.37827519424745 0.64499865957596 0.61869817372519 78.960 6 Se 0.35500134042404 0.62172480575255 0.88130182627481 78.960 7 Se 0.24336891330487 0.12981127117237 0.53401449781157 78.960 8 Se 0.87018872882763 0.75663108669513 0.96598550218843 78.960 9 Se 0.12981127117237 0.24336891330487 0.03401449781157 78.960 10 Se 0.75663108669513 0.87018872882763 0.46598550218843 78.960 11 Rb 0.06248798815505 0.41008026718305 0.32292823888386 85.468 12 Rb 0.58991973281695 0.93751201184495 0.17707176111615 85.468 13 Rb 0.93751201184496 0.58991973281695 0.67707176111614 85.468 14 Rb 0.41008026718305 0.06248798815505 0.82292823888386 85.468 15 Sn 0.55319577673999 0.25308390632108 0.55715084547949 118.710 16 Sn 0.74691609367892 0.44680422326001 0.94284915452051 118.710 17 Sn 0.44680422326001 0.74691609367892 0.44284915452051 118.710 18 Sn 0.25308390632108 0.55319577673999 0.05715084547949 118.710 -------------------------------- supercell --------------------------------- Lattice vectors: a 23.040283740123638 0.000000000000000 0.000000000000000 b 0.000000000000000 17.081170059999998 0.000000000000000 c -3.720885179211054 0.000000000000000 11.434918739686127 Atomic positions (fractional): 1 Se 0.00000000000000 0.09474755201388 0.75000000000000 78.960 > 1 2 Se 0.50000000000000 0.09474755201388 0.75000000000000 78.960 > 1 3 Se 0.00000000000000 0.59474755201388 0.75000000000000 78.960 > 1 4 Se 0.50000000000000 0.59474755201388 0.75000000000000 78.960 > 1 5 Se 0.00000000000000 0.40525244798612 0.25000000000000 78.960 > 5 6 Se 0.50000000000000 0.40525244798612 0.25000000000000 78.960 > 5 7 Se 0.00000000000000 0.90525244798612 0.25000000000000 78.960 > 5 8 Se 0.50000000000000 0.90525244798612 0.25000000000000 78.960 > 5 9 Se 0.49418153654415 0.18331913366787 0.38130182627481 78.960 > 9 10 Se 0.99418153654415 0.18331913366787 0.38130182627481 78.960 > 9 11 Se 0.49418153654415 0.68331913366787 0.38130182627481 78.960 > 9 12 Se 0.99418153654415 0.68331913366787 0.38130182627481 78.960 > 9 13 Se 0.00581846345585 0.18331913366787 0.11869817372519 78.960 > 13 14 Se 0.50581846345585 0.18331913366787 0.11869817372519 78.960 > 13 15 Se 0.00581846345585 0.68331913366787 0.11869817372519 78.960 > 13 16 Se 0.50581846345585 0.68331913366787 0.11869817372519 78.960 > 13 17 Se 0.00581846345585 0.31668086633213 0.61869817372519 78.960 > 17 18 Se 0.50581846345585 0.31668086633213 0.61869817372519 78.960 > 17 19 Se 0.00581846345585 0.81668086633213 0.61869817372519 78.960 > 17 20 Se 0.50581846345585 0.81668086633213 0.61869817372519 78.960 > 17 21 Se 0.49418153654415 0.31668086633213 0.88130182627481 78.960 > 21 22 Se 0.99418153654415 0.31668086633213 0.88130182627481 78.960 > 21 23 Se 0.49418153654415 0.81668086633213 0.88130182627481 78.960 > 21 24 Se 0.99418153654415 0.81668086633213 0.88130182627481 78.960 > 21 25 Se 0.34329504611931 0.22161058946687 0.53401449781157 78.960 > 25 26 Se 0.84329504611931 0.22161058946687 0.53401449781157 78.960 > 25 27 Se 0.34329504611931 0.72161058946687 0.53401449781157 78.960 > 25 28 Se 0.84329504611931 0.72161058946687 0.53401449781157 78.960 > 25 29 Se 0.15670495388069 0.22161058946687 0.96598550218843 78.960 > 29 30 Se 0.65670495388069 0.22161058946687 0.96598550218843 78.960 > 29 31 Se 0.15670495388069 0.72161058946687 0.96598550218843 78.960 > 29 32 Se 0.65670495388069 0.72161058946687 0.96598550218843 78.960 > 29 33 Se 0.34329504611931 0.27838941053313 0.03401449781157 78.960 > 33 34 Se 0.84329504611931 0.27838941053313 0.03401449781157 78.960 > 33 35 Se 0.34329504611931 0.77838941053313 0.03401449781157 78.960 > 33 36 Se 0.84329504611931 0.77838941053313 0.03401449781157 78.960 > 33 37 Se 0.15670495388069 0.27838941053313 0.46598550218843 78.960 > 37 38 Se 0.65670495388069 0.27838941053313 0.46598550218843 78.960 > 37 39 Se 0.15670495388069 0.77838941053313 0.46598550218843 78.960 > 37 40 Se 0.65670495388069 0.77838941053313 0.46598550218843 78.960 > 37 41 Se 0.25000000000000 0.34474755201388 0.75000000000000 78.960 > 1 42 Se 0.75000000000000 0.34474755201388 0.75000000000000 78.960 > 1 43 Se 0.25000000000000 0.84474755201388 0.75000000000000 78.960 > 1 44 Se 0.75000000000000 0.84474755201388 0.75000000000000 78.960 > 1 45 Se 0.25000000000000 0.15525244798612 0.25000000000000 78.960 > 5 46 Se 0.75000000000000 0.15525244798612 0.25000000000000 78.960 > 5 47 Se 0.25000000000000 0.65525244798612 0.25000000000000 78.960 > 5 48 Se 0.75000000000000 0.65525244798612 0.25000000000000 78.960 > 5 49 Se 0.24418153654415 0.43331913366787 0.38130182627481 78.960 > 9 50 Se 0.74418153654415 0.43331913366787 0.38130182627481 78.960 > 9 51 Se 0.24418153654415 0.93331913366787 0.38130182627481 78.960 > 9 52 Se 0.74418153654415 0.93331913366787 0.38130182627481 78.960 > 9 53 Se 0.25581846345585 0.43331913366787 0.11869817372519 78.960 > 13 54 Se 0.75581846345585 0.43331913366787 0.11869817372519 78.960 > 13 55 Se 0.25581846345585 0.93331913366787 0.11869817372519 78.960 > 13 56 Se 0.75581846345585 0.93331913366787 0.11869817372519 78.960 > 13 57 Se 0.25581846345585 0.06668086633213 0.61869817372519 78.960 > 17 58 Se 0.75581846345585 0.06668086633213 0.61869817372519 78.960 > 17 59 Se 0.25581846345585 0.56668086633213 0.61869817372519 78.960 > 17 60 Se 0.75581846345585 0.56668086633213 0.61869817372519 78.960 > 17 61 Se 0.24418153654415 0.06668086633213 0.88130182627481 78.960 > 21 62 Se 0.74418153654415 0.06668086633213 0.88130182627481 78.960 > 21 63 Se 0.24418153654415 0.56668086633213 0.88130182627481 78.960 > 21 64 Se 0.74418153654415 0.56668086633213 0.88130182627481 78.960 > 21 65 Se 0.09329504611931 0.47161058946687 0.53401449781157 78.960 > 25 66 Se 0.59329504611931 0.47161058946687 0.53401449781157 78.960 > 25 67 Se 0.09329504611931 0.97161058946687 0.53401449781157 78.960 > 25 68 Se 0.59329504611931 0.97161058946687 0.53401449781157 78.960 > 25 69 Se 0.40670495388069 0.47161058946687 0.96598550218843 78.960 > 29 70 Se 0.90670495388069 0.47161058946687 0.96598550218843 78.960 > 29 71 Se 0.40670495388069 0.97161058946687 0.96598550218843 78.960 > 29 72 Se 0.90670495388069 0.97161058946687 0.96598550218843 78.960 > 29 73 Se 0.09329504611931 0.02838941053313 0.03401449781157 78.960 > 33 74 Se 0.59329504611931 0.02838941053313 0.03401449781157 78.960 > 33 75 Se 0.09329504611931 0.52838941053313 0.03401449781157 78.960 > 33 76 Se 0.59329504611931 0.52838941053313 0.03401449781157 78.960 > 33 77 Se 0.40670495388069 0.02838941053313 0.46598550218843 78.960 > 37 78 Se 0.90670495388069 0.02838941053313 0.46598550218843 78.960 > 37 79 Se 0.40670495388069 0.52838941053313 0.46598550218843 78.960 > 37 80 Se 0.90670495388069 0.52838941053313 0.46598550218843 78.960 > 37 81 Rb 0.36814206383452 0.33689806975700 0.32292823888386 85.468 > 81 82 Rb 0.86814206383452 0.33689806975700 0.32292823888386 85.468 > 81 83 Rb 0.36814206383452 0.83689806975700 0.32292823888386 85.468 > 81 84 Rb 0.86814206383452 0.83689806975700 0.32292823888386 85.468 > 81 85 Rb 0.13185793616548 0.33689806975700 0.17707176111615 85.468 > 85 86 Rb 0.63185793616548 0.33689806975700 0.17707176111615 85.468 > 85 87 Rb 0.13185793616548 0.83689806975700 0.17707176111615 85.468 > 85 88 Rb 0.63185793616548 0.83689806975700 0.17707176111615 85.468 > 85 89 Rb 0.13185793616548 0.16310193024300 0.67707176111614 85.468 > 89 90 Rb 0.63185793616548 0.16310193024300 0.67707176111614 85.468 > 89 91 Rb 0.13185793616548 0.66310193024300 0.67707176111614 85.468 > 89 92 Rb 0.63185793616548 0.66310193024300 0.67707176111614 85.468 > 89 93 Rb 0.36814206383452 0.16310193024300 0.82292823888386 85.468 > 93 94 Rb 0.86814206383452 0.16310193024300 0.82292823888386 85.468 > 93 95 Rb 0.36814206383452 0.66310193024300 0.82292823888386 85.468 > 93 96 Rb 0.86814206383452 0.66310193024300 0.82292823888386 85.468 > 93 97 Rb 0.11814206383452 0.08689806975700 0.32292823888386 85.468 > 81 98 Rb 0.61814206383452 0.08689806975700 0.32292823888386 85.468 > 81 99 Rb 0.11814206383452 0.58689806975700 0.32292823888386 85.468 > 81 100 Rb 0.61814206383452 0.58689806975700 0.32292823888386 85.468 > 81 101 Rb 0.38185793616548 0.08689806975700 0.17707176111615 85.468 > 85 102 Rb 0.88185793616548 0.08689806975700 0.17707176111615 85.468 > 85 103 Rb 0.38185793616548 0.58689806975700 0.17707176111615 85.468 > 85 104 Rb 0.88185793616548 0.58689806975700 0.17707176111615 85.468 > 85 105 Rb 0.38185793616548 0.41310193024300 0.67707176111614 85.468 > 89 106 Rb 0.88185793616548 0.41310193024300 0.67707176111614 85.468 > 89 107 Rb 0.38185793616548 0.91310193024300 0.67707176111614 85.468 > 89 108 Rb 0.88185793616548 0.91310193024300 0.67707176111614 85.468 > 89 109 Rb 0.11814206383452 0.41310193024300 0.82292823888386 85.468 > 93 110 Rb 0.61814206383452 0.41310193024300 0.82292823888386 85.468 > 93 111 Rb 0.11814206383452 0.91310193024300 0.82292823888386 85.468 > 93 112 Rb 0.61814206383452 0.91310193024300 0.82292823888386 85.468 > 93 113 Sn 0.45156992076527 0.17497203239527 0.55715084547949 118.710 > 113 114 Sn 0.95156992076527 0.17497203239527 0.55715084547949 118.710 > 113 115 Sn 0.45156992076527 0.67497203239527 0.55715084547949 118.710 > 113 116 Sn 0.95156992076527 0.67497203239527 0.55715084547949 118.710 > 113 117 Sn 0.04843007923473 0.17497203239527 0.94284915452051 118.710 > 117 118 Sn 0.54843007923473 0.17497203239527 0.94284915452051 118.710 > 117 119 Sn 0.04843007923473 0.67497203239527 0.94284915452051 118.710 > 117 120 Sn 0.54843007923473 0.67497203239527 0.94284915452051 118.710 > 117 121 Sn 0.04843007923473 0.32502796760473 0.44284915452051 118.710 > 121 122 Sn 0.54843007923473 0.32502796760473 0.44284915452051 118.710 > 121 123 Sn 0.04843007923473 0.82502796760473 0.44284915452051 118.710 > 121 124 Sn 0.54843007923473 0.82502796760473 0.44284915452051 118.710 > 121 125 Sn 0.45156992076527 0.32502796760473 0.05715084547949 118.710 > 125 126 Sn 0.95156992076527 0.32502796760473 0.05715084547949 118.710 > 125 127 Sn 0.45156992076527 0.82502796760473 0.05715084547949 118.710 > 125 128 Sn 0.95156992076527 0.82502796760473 0.05715084547949 118.710 > 125 129 Sn 0.20156992076527 0.42497203239527 0.55715084547949 118.710 > 113 130 Sn 0.70156992076527 0.42497203239527 0.55715084547949 118.710 > 113 131 Sn 0.20156992076527 0.92497203239527 0.55715084547949 118.710 > 113 132 Sn 0.70156992076527 0.92497203239527 0.55715084547949 118.710 > 113 133 Sn 0.29843007923473 0.42497203239527 0.94284915452051 118.710 > 117 134 Sn 0.79843007923473 0.42497203239527 0.94284915452051 118.710 > 117 135 Sn 0.29843007923473 0.92497203239527 0.94284915452051 118.710 > 117 136 Sn 0.79843007923473 0.92497203239527 0.94284915452051 118.710 > 117 137 Sn 0.29843007923473 0.07502796760473 0.44284915452051 118.710 > 121 138 Sn 0.79843007923473 0.07502796760473 0.44284915452051 118.710 > 121 139 Sn 0.29843007923473 0.57502796760473 0.44284915452051 118.710 > 121 140 Sn 0.79843007923473 0.57502796760473 0.44284915452051 118.710 > 121 141 Sn 0.20156992076527 0.07502796760473 0.05715084547949 118.710 > 125 142 Sn 0.70156992076527 0.07502796760473 0.05715084547949 118.710 > 125 143 Sn 0.20156992076527 0.57502796760473 0.05715084547949 118.710 > 125 144 Sn 0.70156992076527 0.57502796760473 0.05715084547949 118.710 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 7.4402078 0.0000000 -0.5466336 0.0000000 6.0758382 0.0000000 -0.5466278 0.0000000 9.3921319 -------------------------- Born effective charges -------------------------- 1 Se -1.1601460 0.0000000 -0.0314251 0.0000000 -1.5719392 0.0000000 0.1113608 0.0000000 -2.3056297 2 Se -1.1601460 0.0000000 -0.0314251 0.0000000 -1.5719392 0.0000000 0.1113608 0.0000000 -2.3056297 3 Se -2.0480098 -0.5133767 0.3060493 -0.6511683 -1.8282787 -0.1544945 0.3151601 0.0739376 -1.7607905 4 Se -2.0480098 0.5133767 0.3060493 0.6511683 -1.8282787 0.1544945 0.3151601 -0.0739376 -1.7607905 5 Se -2.0480098 -0.5133767 0.3060493 -0.6511683 -1.8282787 -0.1544945 0.3151601 0.0739376 -1.7607905 6 Se -2.0480098 0.5133767 0.3060493 0.6511683 -1.8282787 0.1544945 0.3151601 -0.0739376 -1.7607905 7 Se -2.4895471 -0.6945448 -0.6267414 -0.7015494 -1.8929279 -0.3791750 -0.4680213 -0.0548821 -1.6796253 8 Se -2.4895471 0.6945448 -0.6267414 0.7015494 -1.8929279 0.3791750 -0.4680213 0.0548821 -1.6796253 9 Se -2.4895471 0.6945448 -0.6267414 0.7015494 -1.8929279 0.3791750 -0.4680213 0.0548821 -1.6796253 10 Se -2.4895471 -0.6945448 -0.6267414 -0.7015494 -1.8929279 -0.3791750 -0.4680213 -0.0548821 -1.6796253 11 Rb 1.2270065 -0.0930785 0.0162805 -0.0949522 1.3153089 -0.2133637 -0.0070076 0.0455389 1.3330695 12 Rb 1.2270065 0.0930785 0.0162805 0.0949522 1.3153089 0.2133637 -0.0070076 -0.0455389 1.3330695 13 Rb 1.2270065 -0.0930785 0.0162805 -0.0949522 1.3153089 -0.2133637 -0.0070076 0.0455389 1.3330695 14 Rb 1.2270065 0.0930785 0.0162805 0.0949522 1.3153089 0.2133637 -0.0070076 -0.0455389 1.3330695 15 Sn 3.8906233 1.1582556 0.3201242 1.4548752 3.1918673 0.2453023 0.1041884 -0.8343276 3.2601611 16 Sn 3.8906233 -1.1582556 0.3201242 -1.4548752 3.1918673 -0.2453023 0.1041884 0.8343276 3.2601611 17 Sn 3.8906233 1.1582556 0.3201242 1.4548752 3.1918673 0.2453023 0.1041884 -0.8343276 3.2601611 18 Sn 3.8906233 -1.1582556 0.3201242 -1.4548752 3.1918673 -0.2453023 0.1041884 0.8343276 3.2601611 ---------------------------------------------------------------------------- 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 (yz) -0.00000000 (yz) --------------------------- 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 ... [ 7 7 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.50, Number of G-points: 305, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 60 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 1.010 ( 0.000 0.000 0.000) 0.000 1.092 ( 0.000 0.000 0.000) 0.000 1.107 ( 0.000 0.000 0.000) 0.000 1.349 ( 0.000 0.000 0.000) 0.000 1.410 ( 0.000 0.000 0.000) 0.000 1.450 ( 0.000 0.000 0.000) 0.000 1.462 ( 0.000 0.000 0.000) 0.000 1.603 ( 0.000 0.000 0.000) 0.000 1.698 ( 0.000 0.000 0.000) 0.000 1.763 ( 0.000 0.000 0.000) 0.000 1.899 ( 0.000 0.000 0.000) 0.000 1.934 ( 0.000 0.000 0.000) 0.000 1.935 ( 0.000 0.000 0.000) 0.000 2.094 ( 0.000 0.000 0.000) 0.000 2.149 ( 0.000 0.000 0.000) 0.000 2.179 ( 0.000 0.000 0.000) 0.000 2.233 ( 0.000 0.000 0.000) 0.000 2.401 ( 0.000 0.000 0.000) 0.000 2.448 ( 0.000 0.000 0.000) 0.000 2.466 ( 0.000 0.000 0.000) 0.000 2.552 ( 0.000 0.000 0.000) 0.000 2.713 ( 0.000 0.000 0.000) 0.000 2.846 ( 0.000 0.000 0.000) 0.000 2.850 ( 0.000 0.000 0.000) 0.000 2.889 ( 0.000 0.000 0.000) 0.000 3.054 ( 0.000 0.000 0.000) 0.000 3.175 ( 0.000 0.000 0.000) 0.000 3.254 ( 0.000 0.000 0.000) 0.000 3.280 ( 0.000 0.000 0.000) 0.000 3.373 ( 0.000 0.000 0.000) 0.000 3.599 ( 0.000 0.000 0.000) 0.000 3.637 ( 0.000 0.000 0.000) 0.000 3.725 ( 0.000 0.000 0.000) 0.000 3.878 ( 0.000 0.000 0.000) 0.000 3.901 ( 0.000 0.000 0.000) 0.000 4.743 ( 0.000 0.000 0.000) 0.000 4.775 ( 0.000 0.000 0.000) 0.000 4.963 ( 0.000 0.000 0.000) 0.000 4.999 ( 0.000 0.000 0.000) 0.000 5.014 ( 0.000 0.000 0.000) 0.000 5.175 ( 0.000 0.000 0.000) 0.000 5.283 ( 0.000 0.000 0.000) 0.000 5.399 ( 0.000 0.000 0.000) 0.000 6.182 ( 0.000 0.000 0.000) 0.000 6.271 ( 0.000 0.000 0.000) 0.000 6.365 ( 0.000 0.000 0.000) 0.000 6.446 ( 0.000 0.000 0.000) 0.000 6.795 ( 0.000 0.000 0.000) 0.000 6.825 ( 0.000 0.000 0.000) 0.000 6.890 ( 0.000 0.000 0.000) 0.000 7.121 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.273 ( 5.305 -10.980 1.180) 12.252 0.341 ( 10.007 -10.916 4.890) 15.596 0.535 ( 15.142 -15.126 6.885) 22.483 1.010 ( 1.491 0.181 -1.073) 1.846 1.115 ( 1.153 -1.058 -4.327) 4.601 1.155 ( -0.542 -1.360 3.640) 3.923 1.372 ( 1.422 -2.167 -2.547) 3.634 1.400 ( -0.009 1.765 1.347) 2.221 1.461 ( 1.221 -0.580 -0.843) 1.593 1.487 ( -1.434 -2.789 1.214) 3.363 1.591 ( 0.289 1.307 -0.016) 1.339 1.664 ( -2.480 2.521 -0.252) 3.545 1.736 ( -0.248 1.899 0.497) 1.979 1.865 ( -4.086 2.998 1.840) 5.391 1.915 ( -0.060 0.505 -0.514) 0.723 1.937 ( -2.508 -0.582 -0.321) 2.595 2.062 ( 0.584 3.352 -2.027) 3.960 2.105 ( -4.368 -0.749 1.192) 4.590 2.207 ( -0.345 -1.420 -0.799) 1.666 2.281 ( 3.563 -0.778 2.061) 4.189 2.359 ( -1.343 2.187 -3.426) 4.281 2.417 ( -2.939 -1.436 -2.402) 4.059 2.479 ( 0.544 0.028 -0.354) 0.650 2.585 ( 1.204 -1.584 -0.951) 2.205 2.747 ( 2.674 -0.472 3.877) 4.733 2.836 ( 0.394 2.211 -0.226) 2.258 2.886 ( -0.127 0.454 1.671) 1.736 2.961 ( 4.365 4.681 -0.970) 6.474 3.043 ( 0.842 1.830 1.809) 2.707 3.206 ( 1.771 -0.205 3.189) 3.654 3.244 ( -0.922 1.678 -0.260) 1.933 3.320 ( -0.269 -2.120 0.484) 2.191 3.411 ( 1.819 -1.892 0.897) 2.773 3.578 ( -3.131 1.691 -0.164) 3.562 3.644 ( 1.699 -1.996 -1.155) 2.865 3.788 ( 3.239 0.875 0.870) 3.466 3.901 ( 2.259 -1.519 -0.292) 2.737 4.175 ( -1.274 -5.135 -2.777) 5.975 4.768 ( 1.510 0.740 0.267) 1.702 4.812 ( 2.826 1.133 -0.614) 3.106 4.985 ( -0.986 1.151 -0.245) 1.535 5.013 ( 0.048 -0.054 0.116) 0.136 5.145 ( -3.515 -3.515 -2.398) 5.520 5.278 ( -0.516 0.247 0.206) 0.608 5.390 ( -0.852 0.281 0.194) 0.918 5.500 ( -9.885 -6.697 -7.147) 13.915 6.215 ( -2.096 1.352 12.996) 13.234 6.285 ( 1.231 -0.505 0.213) 1.347 6.377 ( -1.836 -0.673 0.020) 1.956 6.464 ( 0.629 -1.220 0.046) 1.373 6.791 ( -0.640 0.303 -0.096) 0.715 6.829 ( 0.139 -0.508 0.557) 0.767 6.991 ( 7.680 7.731 -3.091) 11.327 7.190 ( 3.269 1.784 -5.368) 6.533 ======================= Grid point 2 (3/60) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.497 ( 3.956 -8.103 1.139) 9.089 0.633 ( 8.649 -8.037 0.921) 11.843 0.886 ( 6.447 -6.901 9.773) 13.590 1.031 ( -0.579 -1.430 -1.727) 2.315 1.149 ( 4.453 -1.694 -5.280) 7.112 1.196 ( 2.083 -1.667 1.325) 2.979 1.362 ( 0.362 3.062 0.626) 3.146 1.396 ( -0.660 -0.383 -1.008) 1.264 1.468 ( -4.257 1.075 -1.279) 4.574 1.504 ( -1.779 -1.578 2.537) 3.477 1.545 ( -1.364 3.097 -1.724) 3.798 1.673 ( 3.889 -1.711 -0.495) 4.277 1.723 ( 0.963 -0.809 -0.482) 1.347 1.784 ( 1.027 1.448 2.330) 2.929 1.882 ( -0.689 3.084 -1.453) 3.478 1.908 ( -2.204 0.133 3.750) 4.351 2.012 ( -1.038 -0.514 -2.672) 2.912 2.096 ( -1.315 -0.693 2.283) 2.725 2.182 ( -2.255 3.649 -1.611) 4.582 2.273 ( -0.834 0.066 -1.262) 1.514 2.371 ( 2.453 -2.037 0.456) 3.220 2.434 ( 0.004 -2.181 -0.740) 2.303 2.493 ( 1.165 -1.207 0.727) 1.828 2.595 ( -2.191 -0.808 -0.957) 2.523 2.767 ( -1.704 3.514 -5.878) 7.057 2.784 ( -0.602 0.019 1.670) 1.775 2.892 ( 3.686 2.816 3.646) 5.900 2.954 ( 1.825 -0.310 -0.905) 2.061 3.050 ( 2.923 1.034 2.993) 4.309 3.191 ( -1.509 1.484 -1.014) 2.347 3.261 ( 2.302 -0.836 1.023) 2.654 3.341 ( -1.669 -0.680 0.911) 2.019 3.422 ( -4.184 0.445 -0.944) 4.312 3.505 ( 0.229 1.959 -0.217) 1.985 3.722 ( 1.833 -3.538 0.373) 4.002 3.808 ( 0.062 -0.592 0.145) 0.613 3.987 ( 4.788 -3.290 -0.017) 5.809 4.240 ( 1.252 -2.638 -0.138) 2.923 4.775 ( 0.395 -0.032 0.104) 0.409 4.835 ( 1.968 -0.573 -1.096) 2.324 4.943 ( -1.600 1.399 -0.207) 2.135 5.017 ( 0.110 -0.221 0.105) 0.268 5.147 ( -1.687 -1.395 -1.507) 2.657 5.265 ( -0.774 0.428 0.337) 0.947 5.374 ( -0.973 0.390 0.319) 1.095 5.442 ( -4.790 0.109 -2.919) 5.611 6.222 ( -0.543 0.296 5.677) 5.711 6.312 ( 1.379 -0.375 0.246) 1.450 6.363 ( -1.046 0.121 -0.279) 1.090 6.482 ( -0.241 -0.438 -1.016) 1.132 6.772 ( -0.737 0.507 0.156) 0.908 6.846 ( 0.265 -0.663 0.424) 0.830 6.938 ( 1.023 3.555 -0.832) 3.792 7.185 ( 1.954 0.719 -2.684) 3.396 ======================= Grid point 3 (4/60) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.639 ( 1.937 -3.376 0.569) 3.933 0.811 ( 4.341 -3.111 -1.266) 5.489 0.987 ( -1.084 1.122 2.831) 3.232 1.083 ( 1.048 -4.468 3.507) 5.776 1.215 ( 4.345 -0.275 -2.163) 4.861 1.257 ( 1.008 -2.932 -4.442) 5.417 1.326 ( -0.016 2.144 2.752) 3.489 1.359 ( -3.653 2.836 -1.862) 4.985 1.402 ( 0.165 -0.733 2.053) 2.187 1.483 ( -1.603 0.833 1.074) 2.102 1.510 ( -0.633 0.010 -0.845) 1.055 1.673 ( 0.063 0.686 -0.959) 1.181 1.689 ( -1.512 1.410 0.629) 2.161 1.810 ( -1.222 1.786 -1.029) 2.396 1.877 ( 1.477 -0.631 1.666) 2.314 1.941 ( 2.163 -1.464 0.217) 2.621 2.034 ( -0.433 1.938 -3.694) 4.194 2.101 ( 0.020 0.073 0.293) 0.302 2.110 ( 1.336 -2.368 2.966) 4.024 2.307 ( 1.652 -3.606 1.695) 4.313 2.416 ( 0.899 -0.377 -0.890) 1.320 2.472 ( 0.773 -1.008 3.367) 3.599 2.518 ( -0.974 0.171 -2.442) 2.634 2.571 ( -2.447 -0.768 0.756) 2.674 2.635 ( -1.750 4.810 -4.991) 7.149 2.781 ( -0.802 -0.711 0.662) 1.260 2.893 ( 1.245 1.674 0.524) 2.151 3.005 ( 3.330 -1.456 -0.985) 3.765 3.086 ( 1.302 0.825 3.340) 3.679 3.160 ( 0.331 -0.413 -0.772) 0.936 3.235 ( -5.236 2.792 -0.486) 5.954 3.318 ( 0.228 -0.531 0.462) 0.740 3.385 ( -0.507 -0.052 -0.488) 0.706 3.501 ( 0.640 0.261 -0.242) 0.732 3.781 ( 0.412 -1.439 0.570) 1.602 3.811 ( -0.326 -0.122 -0.236) 0.420 4.099 ( 3.588 -2.441 -0.233) 4.345 4.272 ( -0.157 -0.232 0.449) 0.529 4.779 ( -0.019 -0.107 0.041) 0.116 4.862 ( 1.147 -0.537 -0.830) 1.514 4.910 ( -1.004 0.512 0.420) 1.203 5.026 ( 0.472 -0.381 -0.152) 0.625 5.139 ( -0.977 -0.298 -0.706) 1.242 5.250 ( -0.489 0.348 0.126) 0.613 5.359 ( -0.821 0.199 0.698) 1.096 5.376 ( -1.534 1.001 -1.346) 2.273 6.234 ( 0.012 -0.059 1.995) 1.996 6.328 ( 0.506 0.005 -0.280) 0.579 6.349 ( -0.485 0.104 0.377) 0.623 6.470 ( -0.561 0.197 -0.795) 0.993 6.763 ( -0.122 0.142 0.059) 0.196 6.856 ( 0.055 -0.192 0.142) 0.245 6.903 ( 0.079 1.073 -0.260) 1.107 7.189 ( 0.713 0.062 -0.791) 1.066 ======================= Grid point 8 (5/60) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.424 ( 16.057 -0.000 0.320) 16.060 0.431 ( 14.680 -0.000 1.154) 14.725 0.667 ( 18.670 -0.000 14.835) 23.846 1.019 ( 0.037 -0.000 -1.623) 1.624 1.129 ( 2.836 -0.000 1.345) 3.139 1.168 ( 5.316 -0.000 -1.138) 5.437 1.361 ( 1.401 -0.000 -3.369) 3.648 1.386 ( -1.434 0.000 -1.267) 1.914 1.463 ( -0.219 0.000 2.912) 2.920 1.486 ( 2.530 -0.000 -0.471) 2.574 1.606 ( -0.669 0.000 0.198) 0.697 1.655 ( -2.268 0.000 -0.571) 2.339 1.727 ( -2.762 0.000 0.160) 2.767 1.847 ( -3.463 0.000 1.757) 3.883 1.897 ( -2.355 0.000 1.761) 2.941 1.901 ( -2.740 0.000 1.247) 3.010 2.023 ( -5.232 0.000 -3.202) 6.134 2.100 ( -0.843 0.000 1.552) 1.766 2.202 ( 1.412 -0.000 0.629) 1.545 2.309 ( -0.644 0.000 -5.698) 5.734 2.338 ( 4.177 -0.000 1.527) 4.448 2.376 ( -4.356 0.000 -3.758) 5.753 2.479 ( -1.047 0.000 1.479) 1.812 2.572 ( 0.730 -0.000 -1.504) 1.672 2.774 ( 1.840 -0.000 -0.429) 1.890 2.838 ( -3.979 0.000 2.284) 4.588 2.923 ( 1.603 -0.000 -2.248) 2.761 3.019 ( 1.968 -0.000 4.046) 4.499 3.084 ( 1.951 -0.000 -4.540) 4.941 3.255 ( -0.923 0.000 8.075) 8.128 3.270 ( -0.091 0.000 1.430) 1.433 3.294 ( 1.244 -0.000 -0.722) 1.438 3.404 ( -0.797 0.000 -0.420) 0.901 3.595 ( 1.774 -0.000 2.358) 2.951 3.625 ( -0.927 0.000 -2.003) 2.207 3.888 ( 2.081 -0.000 -2.775) 3.469 3.957 ( 4.334 -0.000 -0.632) 4.380 4.037 ( 3.831 -0.000 -2.566) 4.611 4.786 ( 1.286 -0.000 -1.331) 1.851 4.943 ( 1.272 -0.000 -3.379) 3.610 4.984 ( -1.076 0.000 1.207) 1.617 5.005 ( -0.588 0.000 -0.405) 0.714 5.019 ( 3.410 -0.000 0.899) 3.527 5.272 ( -0.825 0.000 0.119) 0.834 5.358 ( -0.694 0.000 -0.806) 1.064 5.393 ( -0.406 0.000 -0.336) 0.527 6.236 ( -3.462 0.000 10.669) 11.216 6.309 ( 2.709 -0.000 0.493) 2.753 6.360 ( 0.104 -0.000 -1.208) 1.213 6.450 ( 0.290 -0.000 -0.564) 0.634 6.788 ( -0.395 0.000 -0.493) 0.632 6.818 ( -0.835 0.000 0.710) 1.096 7.047 ( -4.458 0.000 -2.678) 5.200 7.229 ( 1.065 -0.000 -6.947) 7.029 ======================= Grid point 9 (6/60) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.590 ( 12.851 -0.119 0.862) 12.880 0.655 ( 11.638 -4.271 -1.145) 12.450 0.931 ( 8.133 -2.365 10.191) 13.251 0.998 ( -2.302 -0.129 1.030) 2.525 1.183 ( 6.338 -0.072 -2.199) 6.709 1.244 ( 6.250 1.155 -1.106) 6.451 1.360 ( -2.717 -0.422 -1.926) 3.357 1.370 ( -0.065 -1.007 -1.412) 1.735 1.463 ( -0.167 1.643 0.579) 1.750 1.508 ( 0.380 1.072 1.730) 2.070 1.570 ( -1.353 2.528 -0.577) 2.925 1.673 ( 2.980 -3.085 -2.364) 4.898 1.692 ( -3.110 -0.733 0.326) 3.212 1.810 ( -1.434 -0.140 3.598) 3.876 1.897 ( 0.403 -1.251 5.098) 5.265 1.907 ( 0.736 -0.942 1.145) 1.656 1.936 ( -5.196 0.367 -3.652) 6.361 2.083 ( -2.224 0.084 2.676) 3.480 2.205 ( -0.985 2.552 -1.895) 3.328 2.258 ( -2.180 1.209 -2.538) 3.557 2.337 ( 0.648 -2.424 -2.678) 3.670 2.418 ( 2.980 -2.536 0.380) 3.931 2.473 ( -2.452 -1.594 2.464) 3.824 2.571 ( 0.144 0.817 -1.111) 1.386 2.771 ( -0.243 1.660 -5.992) 6.222 2.785 ( -2.895 1.193 2.511) 4.014 2.908 ( -1.543 -1.612 -1.921) 2.945 3.054 ( 4.094 3.581 -0.325) 5.449 3.113 ( 4.862 -0.182 2.841) 5.634 3.212 ( -2.135 3.634 -0.477) 4.242 3.286 ( 1.429 -0.419 2.969) 3.321 3.322 ( -0.971 0.144 0.756) 1.239 3.367 ( -4.249 -0.408 -0.030) 4.269 3.569 ( 0.642 2.193 -1.006) 2.497 3.687 ( 2.786 -3.005 1.364) 4.319 3.854 ( 3.592 4.268 -2.272) 6.023 4.007 ( 5.667 -1.523 -0.038) 5.868 4.170 ( 1.281 -6.097 -0.727) 6.273 4.798 ( 1.679 0.214 -1.534) 2.284 4.902 ( 3.810 3.616 -0.748) 5.306 4.949 ( -1.834 1.704 0.478) 2.548 5.004 ( -0.563 -0.929 -0.226) 1.110 5.107 ( 1.572 -2.057 0.532) 2.643 5.260 ( -0.929 0.133 0.207) 0.961 5.355 ( -1.707 -0.807 -0.122) 1.892 5.386 ( -1.259 -0.287 -1.196) 1.760 6.235 ( -1.561 0.130 5.496) 5.715 6.341 ( 2.738 0.692 0.227) 2.834 6.357 ( 0.071 0.146 -0.911) 0.925 6.458 ( -0.485 -0.933 -1.326) 1.692 6.771 ( -0.715 0.579 -0.140) 0.930 6.826 ( -0.786 -1.492 0.386) 1.731 6.965 ( -3.437 1.400 -2.446) 4.444 7.200 ( -0.476 1.020 -1.565) 1.928 ======================= Grid point 10 (7/60) ======================= q-point: ( 0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.747 ( 9.933 -0.994 0.782) 10.013 0.822 ( 6.387 -2.177 -2.130) 7.076 0.904 ( -4.646 1.422 -3.142) 5.786 1.120 ( 4.859 -2.266 10.995) 12.232 1.225 ( -1.527 1.960 -3.008) 3.902 1.269 ( 6.448 -1.071 -2.579) 7.026 1.323 ( -1.318 0.237 -4.083) 4.297 1.385 ( -0.743 1.050 0.545) 1.397 1.417 ( 2.314 2.482 -1.011) 3.541 1.513 ( 1.430 0.431 2.865) 3.232 1.515 ( -0.863 2.577 2.810) 3.909 1.666 ( -2.206 -0.448 0.033) 2.251 1.692 ( -0.338 0.583 -0.336) 0.753 1.822 ( -1.687 2.234 -3.468) 4.457 1.873 ( -0.257 -3.074 2.957) 4.273 1.912 ( -2.306 -0.679 1.058) 2.627 2.004 ( -2.434 -0.390 1.277) 2.776 2.094 ( -2.269 2.664 -3.434) 4.902 2.124 ( 3.871 -3.685 3.952) 6.648 2.271 ( 1.269 -3.456 2.072) 4.225 2.391 ( 1.119 -1.740 -0.929) 2.267 2.466 ( -0.211 -2.652 2.719) 3.804 2.509 ( -0.362 -0.207 -0.001) 0.417 2.540 ( -0.659 0.183 0.394) 0.789 2.667 ( -1.583 4.001 -7.577) 8.714 2.776 ( 0.305 -0.324 2.243) 2.287 2.907 ( -1.329 -0.119 -2.506) 2.839 3.056 ( 4.297 1.022 -2.193) 4.932 3.103 ( -5.352 3.132 -0.178) 6.204 3.179 ( 2.487 0.064 2.084) 3.246 3.235 ( -1.230 3.671 -0.546) 3.910 3.323 ( 1.210 -0.547 1.269) 1.837 3.370 ( -0.545 -0.982 0.587) 1.267 3.551 ( 0.917 1.211 -0.215) 1.534 3.757 ( 1.571 -1.073 0.932) 2.118 3.838 ( 3.083 1.830 -0.827) 3.679 4.107 ( 3.938 -1.856 -0.645) 4.401 4.234 ( -1.530 -2.146 0.107) 2.638 4.806 ( 1.985 0.708 -1.512) 2.594 4.901 ( 1.534 1.738 0.575) 2.389 4.914 ( 0.960 0.952 -0.109) 1.356 5.015 ( -0.322 -1.064 -0.340) 1.163 5.145 ( 2.321 0.197 1.647) 2.853 5.248 ( -0.633 0.126 0.110) 0.655 5.343 ( -1.450 -0.508 -0.103) 1.540 5.366 ( -0.756 0.134 -0.817) 1.121 6.235 ( -0.930 0.029 1.916) 2.130 6.348 ( -0.025 0.771 0.074) 0.775 6.355 ( 1.957 0.772 -1.107) 2.377 6.457 ( -0.544 -0.608 -0.681) 1.063 6.760 ( -0.344 0.047 -0.057) 0.352 6.841 ( -0.910 -1.259 0.101) 1.557 6.909 ( -1.620 0.564 -1.535) 2.301 7.177 ( -1.699 -0.040 0.601) 1.803 ======================= Grid point 11 (8/60) ======================= q-point: (-0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( -5.231 2.736 1.681) 6.138 0.828 ( 6.780 6.839 -1.100) 9.693 0.895 ( 0.483 -3.544 -4.713) 5.917 1.160 ( -0.067 2.704 2.679) 3.807 1.208 ( 1.322 2.166 -1.042) 2.743 1.283 ( -1.074 -0.433 -3.149) 3.355 1.330 ( -1.844 3.185 5.619) 6.717 1.366 ( 3.923 -2.213 -1.289) 4.684 1.420 ( 4.792 1.432 -4.374) 6.644 1.477 ( -1.662 -0.234 1.327) 2.140 1.551 ( 3.387 0.902 2.390) 4.243 1.643 ( -2.761 -0.991 1.242) 3.185 1.698 ( 2.192 -0.016 -0.847) 2.351 1.799 ( 1.026 -1.227 -2.384) 2.871 1.865 ( -3.817 1.759 2.229) 4.757 1.907 ( -3.931 -0.126 0.340) 3.948 1.978 ( -2.671 -3.435 3.176) 5.387 2.060 ( -1.459 -1.850 -1.713) 2.913 2.159 ( 0.661 2.583 0.008) 2.666 2.313 ( -3.191 0.920 -0.959) 3.457 2.404 ( -0.627 0.865 2.754) 2.954 2.475 ( 0.606 0.356 -1.473) 1.632 2.540 ( 0.205 0.606 -1.198) 1.358 2.570 ( 1.164 -3.364 3.308) 4.860 2.622 ( 3.773 -2.355 -0.894) 4.536 2.805 ( 1.357 0.098 1.828) 2.278 2.863 ( -2.005 0.492 -2.688) 3.390 2.998 ( -4.389 1.581 -0.175) 4.669 3.048 ( -1.366 1.660 -4.974) 5.419 3.189 ( 3.082 0.563 0.727) 3.216 3.253 ( 3.146 -1.076 -0.119) 3.327 3.335 ( 1.348 0.440 0.366) 1.465 3.387 ( 0.396 -1.023 1.767) 2.080 3.540 ( 1.196 1.819 0.494) 2.232 3.762 ( -1.278 0.487 -0.668) 1.522 3.859 ( 3.670 1.222 0.346) 3.883 4.100 ( -3.233 2.883 -0.078) 4.333 4.246 ( -0.953 -1.506 -0.575) 1.872 4.813 ( 2.255 1.052 -1.292) 2.804 4.881 ( -0.415 1.507 1.344) 2.062 4.925 ( 2.059 0.621 -0.451) 2.197 5.019 ( -0.699 -0.325 -0.469) 0.903 5.178 ( 2.477 0.888 2.531) 3.651 5.248 ( 0.394 -0.430 -0.387) 0.700 5.358 ( 0.943 -0.791 -0.801) 1.469 5.373 ( 1.370 -2.189 1.370) 2.923 6.221 ( -1.038 0.189 -1.456) 1.798 6.334 ( -0.290 0.807 0.037) 0.858 6.365 ( 2.487 0.475 -1.073) 2.750 6.467 ( -0.108 -0.923 0.822) 1.241 6.756 ( -0.270 -0.264 -0.228) 0.441 6.844 ( -1.355 -0.736 -0.102) 1.546 6.891 ( -0.330 -0.210 -0.832) 0.919 7.161 ( -2.664 -0.679 1.600) 3.181 ======================= Grid point 12 (9/60) ======================= q-point: (-0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.665 ( -4.105 6.575 1.093) 7.828 0.725 ( 3.471 10.237 -1.019) 10.857 0.890 ( -1.345 3.723 -4.533) 6.018 1.090 ( -0.129 5.596 0.037) 5.598 1.165 ( -0.430 2.568 4.152) 4.901 1.234 ( -1.900 4.962 -0.740) 5.364 1.291 ( -0.774 -2.687 -2.414) 3.694 1.408 ( 0.732 -0.781 1.370) 1.739 1.505 ( -0.057 -2.993 0.853) 3.112 1.514 ( 7.770 -2.462 -3.462) 8.855 1.568 ( 1.513 3.211 1.813) 3.986 1.640 ( -2.615 -1.610 0.642) 3.137 1.720 ( -7.051 5.688 1.803) 9.237 1.731 ( 0.368 -2.962 -1.766) 3.468 1.845 ( -0.183 -2.054 1.830) 2.757 1.898 ( 2.133 -2.651 -3.302) 4.741 1.983 ( -3.660 -1.948 1.750) 4.500 2.122 ( 1.851 -2.007 -0.219) 2.739 2.141 ( 1.181 -1.766 0.130) 2.129 2.276 ( -1.226 -0.659 0.355) 1.437 2.370 ( -1.726 2.908 1.651) 3.763 2.470 ( 1.779 0.342 -1.279) 2.218 2.518 ( 0.677 2.153 -0.990) 2.465 2.596 ( -2.062 -1.282 0.262) 2.442 2.751 ( 2.675 -3.717 3.308) 5.650 2.808 ( 0.416 2.161 1.264) 2.537 2.831 ( -1.060 -0.305 -2.179) 2.442 2.943 ( -1.706 0.442 -0.298) 1.788 2.992 ( -1.590 -0.409 -3.097) 3.505 3.211 ( 2.051 0.633 0.318) 2.170 3.253 ( -1.315 1.331 -0.372) 1.908 3.363 ( 0.629 0.125 -0.051) 0.643 3.461 ( 4.330 -2.004 0.804) 4.838 3.529 ( 2.843 1.437 0.705) 3.262 3.706 ( -4.833 1.161 -1.111) 5.093 3.869 ( 2.885 3.008 0.308) 4.179 3.991 ( -3.542 3.639 -0.125) 5.080 4.236 ( -1.625 0.286 -0.405) 1.699 4.811 ( 2.075 1.893 -1.090) 3.013 4.845 ( -1.304 2.018 1.208) 2.689 4.948 ( 1.739 -0.587 0.561) 1.919 5.009 ( -0.829 -0.115 -0.785) 1.147 5.193 ( 1.314 0.967 1.560) 2.257 5.262 ( 0.434 -0.669 -0.544) 0.965 5.373 ( 0.541 -0.601 -0.166) 0.826 5.482 ( 4.480 -3.968 2.474) 6.476 6.198 ( -0.715 0.025 -3.025) 3.108 6.313 ( -0.420 1.011 -0.160) 1.107 6.390 ( 3.065 0.476 -0.530) 3.147 6.473 ( -2.177 -0.440 1.097) 2.477 6.768 ( 1.052 -0.955 -0.430) 1.485 6.830 ( -2.233 -0.340 -0.047) 2.260 6.895 ( -0.074 -0.598 -0.442) 0.747 7.149 ( -2.288 -1.039 1.756) 3.066 ======================= Grid point 13 (10/60) ======================= q-point: (-0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.477 ( -0.000 11.965 0.000) 11.965 0.564 ( -0.000 14.145 0.000) 14.145 0.681 ( -0.000 15.455 0.000) 15.455 1.012 ( -0.000 2.268 0.000) 2.268 1.143 ( -0.000 1.429 0.000) 1.429 1.165 ( -0.000 1.366 0.000) 1.366 1.335 ( 0.000 -3.648 -0.000) 3.648 1.416 ( -0.000 1.944 0.000) 1.944 1.477 ( -0.000 3.294 0.000) 3.294 1.559 ( 0.000 -2.356 -0.000) 2.356 1.569 ( -0.000 5.231 0.000) 5.231 1.644 ( 0.000 -2.883 -0.000) 2.883 1.666 ( 0.000 -4.324 -0.000) 4.324 1.815 ( 0.000 -5.305 -0.000) 5.305 1.884 ( 0.000 -2.309 -0.000) 2.309 1.971 ( -0.000 0.180 0.000) 0.180 1.984 ( 0.000 -4.337 -0.000) 4.337 2.141 ( 0.000 -0.030 -0.000) 0.030 2.206 ( 0.000 -2.741 -0.000) 2.741 2.295 ( -0.000 4.014 0.000) 4.014 2.308 ( 0.000 -3.478 -0.000) 3.478 2.472 ( -0.000 0.817 0.000) 0.817 2.508 ( -0.000 1.649 0.000) 1.649 2.571 ( -0.000 0.252 0.000) 0.252 2.750 ( -0.000 3.264 0.000) 3.264 2.831 ( 0.000 -2.891 -0.000) 2.891 2.834 ( 0.000 -0.722 -0.000) 0.722 2.926 ( -0.000 0.768 0.000) 0.768 3.000 ( 0.000 -2.140 -0.000) 2.140 3.211 ( -0.000 1.631 0.000) 1.631 3.231 ( 0.000 -0.897 -0.000) 0.897 3.350 ( -0.000 1.430 0.000) 1.430 3.448 ( -0.000 3.665 0.000) 3.665 3.602 ( 0.000 -1.908 -0.000) 1.908 3.630 ( -0.000 0.977 0.000) 0.977 3.825 ( -0.000 4.392 0.000) 4.392 3.917 ( -0.000 2.316 0.000) 2.316 4.212 ( -0.000 0.907 0.000) 0.907 4.783 ( -0.000 2.535 0.000) 2.535 4.811 ( -0.000 1.069 0.000) 1.069 4.977 ( 0.000 -0.957 -0.000) 0.957 5.004 ( 0.000 -0.402 -0.000) 0.402 5.191 ( -0.000 0.760 0.000) 0.760 5.274 ( 0.000 -0.530 -0.000) 0.530 5.387 ( 0.000 -0.593 -0.000) 0.593 5.600 ( 0.000 -4.344 -0.000) 4.344 6.183 ( -0.000 0.080 0.000) 0.080 6.292 ( -0.000 1.028 0.000) 1.028 6.412 ( -0.000 0.437 0.000) 0.437 6.447 ( -0.000 0.031 0.000) 0.031 6.802 ( -0.000 0.363 0.000) 0.363 6.804 ( 0.000 -1.154 -0.000) 1.154 6.896 ( -0.000 0.084 0.000) 0.084 7.160 ( 0.000 -1.389 -0.000) 1.389 ======================= Grid point 16 (11/60) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.669 ( 2.718 -0.000 -4.659) 5.394 0.774 ( 11.974 -0.000 -1.282) 12.043 0.969 ( -0.594 0.000 1.511) 1.624 1.067 ( 6.870 -0.000 9.139) 11.433 1.274 ( 7.039 -0.000 0.531) 7.059 1.300 ( -0.814 0.000 -2.486) 2.616 1.305 ( -3.804 0.000 -2.491) 4.547 1.409 ( 6.775 -0.000 2.711) 7.298 1.502 ( -0.597 0.000 -2.814) 2.877 1.528 ( 2.662 -0.000 0.755) 2.767 1.588 ( 0.142 -0.000 -0.230) 0.271 1.634 ( 0.803 -0.000 -1.255) 1.490 1.662 ( -0.997 0.000 1.287) 1.628 1.786 ( -2.735 0.000 2.784) 3.903 1.851 ( -3.971 0.000 -1.796) 4.359 1.934 ( 1.568 -0.000 1.394) 2.098 1.935 ( 4.433 -0.000 6.399) 7.785 2.063 ( -2.477 0.000 0.712) 2.577 2.211 ( -5.562 0.000 -3.609) 6.631 2.219 ( -0.755 0.000 0.152) 0.770 2.317 ( 3.649 -0.000 -4.865) 6.081 2.434 ( -2.927 0.000 5.678) 6.388 2.439 ( 3.497 -0.000 0.846) 3.598 2.584 ( 0.350 -0.000 -1.703) 1.738 2.749 ( -1.491 0.000 -8.897) 9.021 2.767 ( -3.577 0.000 4.858) 6.033 2.875 ( 0.907 -0.000 -1.589) 1.829 3.099 ( 2.646 -0.000 -5.693) 6.278 3.154 ( -3.857 0.000 0.814) 3.941 3.232 ( -1.280 0.000 4.676) 4.848 3.298 ( 0.782 -0.000 2.096) 2.237 3.320 ( 0.751 -0.000 0.621) 0.975 3.341 ( -0.081 0.000 1.226) 1.229 3.526 ( -5.641 0.000 -2.214) 6.060 3.738 ( 6.054 -0.000 1.317) 6.196 3.948 ( 4.502 -0.000 -3.627) 5.781 4.081 ( 5.385 -0.000 -0.370) 5.397 4.126 ( 3.412 -0.000 1.068) 3.575 4.817 ( 2.175 -0.000 -1.840) 2.849 4.942 ( -2.889 0.000 1.567) 3.287 4.955 ( 1.448 -0.000 -2.336) 2.749 4.982 ( -0.834 0.000 -0.144) 0.846 5.148 ( 4.972 -0.000 2.902) 5.757 5.249 ( -0.993 0.000 0.046) 0.994 5.329 ( -1.209 0.000 -0.114) 1.215 5.369 ( -1.083 0.000 -1.093) 1.538 6.237 ( -1.213 0.000 3.796) 3.986 6.355 ( 0.333 -0.000 -1.324) 1.365 6.397 ( 3.570 -0.000 0.693) 3.637 6.430 ( -1.480 0.000 -2.276) 2.715 6.771 ( -0.533 0.000 -0.556) 0.770 6.791 ( -1.488 0.000 0.188) 1.499 6.914 ( -3.618 0.000 -1.759) 4.023 7.191 ( -1.772 0.000 0.202) 1.783 ======================= Grid point 17 (12/60) ======================= q-point: ( 0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.662 ( -4.618 -4.223 -7.067) 9.439 0.890 ( 6.514 0.906 -0.366) 6.587 0.995 ( 5.486 1.230 3.043) 6.393 1.183 ( 5.049 -1.337 3.696) 6.399 1.218 ( -3.796 1.990 -1.786) 4.643 1.289 ( -1.849 -1.153 1.207) 2.490 1.342 ( 5.110 1.525 -0.621) 5.369 1.417 ( -0.318 3.178 -2.052) 3.796 1.505 ( 5.208 0.862 -4.266) 6.787 1.541 ( -0.187 0.485 1.093) 1.210 1.577 ( 0.987 1.793 6.407) 6.726 1.620 ( -2.175 0.413 1.906) 2.922 1.697 ( 1.585 -0.504 -1.444) 2.203 1.795 ( -1.409 -2.373 1.108) 2.974 1.806 ( -1.377 -0.690 -3.657) 3.968 1.916 ( -1.216 2.222 2.931) 3.874 2.014 ( -1.672 3.202 2.198) 4.228 2.089 ( -1.002 0.899 -2.487) 2.828 2.120 ( 2.609 -2.838 2.970) 4.867 2.226 ( -0.819 -2.996 0.791) 3.205 2.386 ( 4.489 -3.450 -2.489) 6.184 2.445 ( -0.463 -0.849 5.929) 6.007 2.503 ( 3.285 -1.253 1.381) 3.778 2.550 ( -1.814 1.966 -0.610) 2.744 2.666 ( -1.641 2.377 -8.648) 9.118 2.772 ( -1.139 -1.975 3.795) 4.427 2.880 ( 0.216 0.406 -4.514) 4.537 3.043 ( -8.265 1.693 2.180) 8.714 3.107 ( 2.819 0.636 -6.080) 6.732 3.218 ( -0.556 1.930 2.138) 2.933 3.310 ( 1.334 2.084 0.997) 2.668 3.335 ( 1.128 -0.438 -0.060) 1.211 3.349 ( 0.086 -0.301 2.528) 2.548 3.486 ( -4.740 -3.826 -0.508) 6.113 3.810 ( 4.742 -0.004 0.366) 4.756 3.942 ( 4.139 4.592 -1.950) 6.483 4.137 ( 4.161 -0.130 -0.406) 4.183 4.194 ( 0.514 -1.651 0.762) 1.889 4.833 ( 2.283 0.356 -1.985) 3.046 4.903 ( -2.133 0.600 1.531) 2.693 4.967 ( 1.938 0.627 -1.265) 2.398 4.981 ( -1.105 -1.396 -0.064) 1.782 5.212 ( 3.959 0.798 3.571) 5.391 5.239 ( -0.591 -0.171 -0.232) 0.658 5.317 ( -0.989 -0.407 -0.311) 1.114 5.352 ( -0.769 -0.268 -1.088) 1.359 6.233 ( -0.904 0.400 1.570) 1.856 6.352 ( 0.227 0.261 -0.957) 1.017 6.390 ( -0.366 0.500 -1.816) 1.918 6.442 ( 1.430 -0.260 0.254) 1.476 6.758 ( -0.283 0.286 -0.263) 0.480 6.795 ( -1.357 -1.724 -0.286) 2.213 6.878 ( -2.014 -0.471 -0.702) 2.184 7.165 ( -1.774 0.634 1.027) 2.145 ======================= Grid point 18 (13/60) ======================= q-point: (-0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.657 ( -4.830 -5.133 -3.446) 7.845 0.899 ( 1.112 3.162 -0.653) 3.415 1.020 ( 3.144 4.307 0.687) 5.376 1.192 ( 1.325 -1.158 2.414) 2.987 1.232 ( 0.860 -0.902 -3.380) 3.602 1.306 ( 1.818 3.001 0.055) 3.509 1.358 ( -0.529 -0.109 4.709) 4.740 1.375 ( 1.957 0.106 -3.664) 4.155 1.476 ( -3.952 3.502 2.855) 6.002 1.524 ( 6.230 3.019 -4.800) 8.424 1.594 ( -1.996 0.245 0.895) 2.201 1.619 ( 2.637 -0.416 3.439) 4.353 1.728 ( 2.844 -0.194 -0.718) 2.939 1.784 ( -0.490 -0.023 -1.465) 1.545 1.818 ( -2.415 -0.542 -1.734) 3.022 1.883 ( -3.227 -1.135 4.825) 5.915 1.934 ( -1.935 3.214 0.044) 3.752 2.017 ( -1.760 0.421 -0.239) 1.826 2.187 ( 1.216 -0.931 0.545) 1.626 2.272 ( -2.634 -0.376 -0.054) 2.661 2.458 ( 2.009 1.105 3.268) 3.992 2.490 ( 1.038 -0.639 2.405) 2.696 2.523 ( -1.239 -1.864 -2.041) 3.029 2.533 ( -0.242 0.629 -1.987) 2.098 2.639 ( 5.230 -1.865 -0.355) 5.564 2.813 ( -4.036 -1.413 -0.832) 4.356 2.831 ( 1.903 0.204 -0.891) 2.111 2.947 ( -4.699 0.479 -0.043) 4.723 3.069 ( -0.355 3.572 -3.775) 5.209 3.233 ( 3.884 -1.036 -0.862) 4.112 3.290 ( 0.376 2.024 1.189) 2.377 3.346 ( -0.524 -0.502 0.546) 0.908 3.380 ( 1.217 -1.696 1.786) 2.747 3.502 ( -3.268 -3.407 0.344) 4.733 3.834 ( 3.170 4.475 -0.818) 5.544 3.918 ( 2.468 1.393 -0.100) 2.836 4.125 ( -1.491 3.643 0.230) 3.943 4.218 ( 0.344 -0.948 -0.140) 1.018 4.847 ( 2.137 0.609 -1.578) 2.726 4.887 ( -1.177 -0.103 1.428) 1.854 4.966 ( 1.165 1.103 -0.160) 1.612 4.993 ( -0.815 -1.143 -0.755) 1.594 5.230 ( 0.045 0.625 3.162) 3.223 5.244 ( 0.908 0.430 -1.714) 1.987 5.350 ( 2.304 -2.914 0.278) 3.725 5.354 ( -0.180 -0.834 0.183) 0.873 6.211 ( -0.947 0.795 -0.542) 1.350 6.343 ( -0.030 0.665 -0.346) 0.750 6.398 ( 1.541 -0.957 -0.974) 2.058 6.456 ( 0.269 0.189 0.621) 0.703 6.747 ( -0.640 -0.032 -0.359) 0.735 6.804 ( -1.300 -1.275 -0.024) 1.821 6.873 ( -0.496 -0.917 -0.332) 1.094 7.139 ( -1.363 0.535 0.998) 1.773 ======================= Grid point 19 (14/60) ======================= q-point: (-0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.681 ( 0.000 -1.223 -0.000) 1.223 0.832 ( -0.000 3.921 0.000) 3.921 0.972 ( -0.000 4.575 0.000) 4.575 1.200 ( -0.000 5.582 0.000) 5.582 1.245 ( -0.000 0.574 0.000) 0.574 1.247 ( 0.000 -0.209 -0.000) 0.209 1.302 ( -0.000 7.972 0.000) 7.972 1.400 ( 0.000 -1.300 -0.000) 1.300 1.443 ( 0.000 -2.958 -0.000) 2.958 1.560 ( 0.000 -1.134 -0.000) 1.134 1.561 ( 0.000 -0.619 -0.000) 0.619 1.673 ( -0.000 5.621 0.000) 5.621 1.677 ( 0.000 -2.059 -0.000) 2.059 1.773 ( -0.000 3.616 0.000) 3.616 1.817 ( 0.000 -2.721 -0.000) 2.721 1.864 ( -0.000 0.319 0.000) 0.319 1.916 ( 0.000 -2.782 -0.000) 2.782 2.053 ( 0.000 -4.528 -0.000) 4.528 2.188 ( -0.000 3.806 0.000) 3.806 2.236 ( 0.000 -1.917 -0.000) 1.917 2.434 ( -0.000 4.174 0.000) 4.174 2.490 ( -0.000 0.740 0.000) 0.740 2.534 ( 0.000 -0.860 -0.000) 0.860 2.547 ( 0.000 -2.065 -0.000) 2.065 2.724 ( 0.000 -2.472 -0.000) 2.472 2.792 ( 0.000 -1.714 -0.000) 1.714 2.861 ( -0.000 0.916 0.000) 0.916 2.919 ( 0.000 -1.061 -0.000) 1.061 2.994 ( -0.000 2.917 0.000) 2.917 3.251 ( -0.000 2.095 0.000) 2.095 3.267 ( -0.000 0.968 0.000) 0.968 3.360 ( 0.000 -0.899 -0.000) 0.899 3.453 ( 0.000 -3.612 -0.000) 3.612 3.525 ( 0.000 -2.643 -0.000) 2.643 3.745 ( -0.000 6.668 0.000) 6.668 3.927 ( -0.000 0.976 0.000) 0.976 4.035 ( -0.000 4.600 0.000) 4.600 4.226 ( 0.000 -0.184 -0.000) 0.184 4.846 ( -0.000 0.875 0.000) 0.875 4.873 ( -0.000 1.533 0.000) 1.533 4.963 ( -0.000 0.459 0.000) 0.459 4.994 ( 0.000 -0.407 -0.000) 0.407 5.222 ( -0.000 1.188 0.000) 1.188 5.249 ( 0.000 -0.875 -0.000) 0.875 5.365 ( 0.000 -0.670 -0.000) 0.670 5.439 ( 0.000 -4.628 -0.000) 4.628 6.191 ( -0.000 0.492 0.000) 0.492 6.328 ( -0.000 0.989 0.000) 0.989 6.435 ( 0.000 -1.153 -0.000) 1.153 6.439 ( -0.000 1.138 0.000) 1.138 6.755 ( 0.000 -1.366 -0.000) 1.366 6.806 ( 0.000 -0.375 -0.000) 0.375 6.885 ( 0.000 -0.726 -0.000) 0.726 7.127 ( 0.000 -0.149 -0.000) 0.149 ======================= Grid point 24 (15/60) ======================= q-point: ( 0.43 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.533 ( -4.553 0.000 -5.837) 7.403 0.983 ( 4.985 -0.000 0.372) 4.999 1.064 ( 3.094 -0.000 4.333) 5.324 1.183 ( -2.935 0.000 -2.376) 3.776 1.205 ( 0.839 -0.000 -5.175) 5.242 1.297 ( 1.859 -0.000 8.861) 9.053 1.412 ( 1.655 -0.000 0.434) 1.711 1.449 ( -0.126 0.000 -3.124) 3.126 1.466 ( -0.172 0.000 -4.828) 4.831 1.530 ( -0.581 0.000 0.091) 0.588 1.598 ( -4.229 0.000 7.891) 8.952 1.672 ( 3.129 -0.000 -0.907) 3.258 1.726 ( 5.854 -0.000 -3.862) 7.013 1.744 ( -2.957 0.000 2.711) 4.012 1.804 ( 0.543 -0.000 -0.733) 0.912 1.922 ( -3.148 0.000 -0.650) 3.215 2.056 ( -0.457 0.000 0.403) 0.609 2.098 ( -0.792 0.000 -0.546) 0.962 2.138 ( 3.542 -0.000 2.209) 4.175 2.185 ( 1.060 -0.000 2.517) 2.731 2.390 ( 4.815 -0.000 -3.443) 5.919 2.457 ( -1.108 0.000 6.838) 6.927 2.535 ( -2.614 0.000 -2.083) 3.342 2.565 ( 5.822 -0.000 1.006) 5.908 2.641 ( -0.847 0.000 -6.581) 6.635 2.728 ( -3.381 0.000 4.361) 5.518 2.862 ( -1.757 0.000 -6.210) 6.454 2.991 ( -4.134 0.000 5.264) 6.694 3.128 ( 3.292 -0.000 -5.375) 6.303 3.233 ( -1.093 0.000 1.280) 1.683 3.305 ( -2.587 0.000 0.271) 2.601 3.337 ( 0.115 -0.000 1.631) 1.635 3.367 ( -3.171 0.000 -1.117) 3.362 3.409 ( 2.089 -0.000 0.914) 2.281 3.852 ( 2.339 -0.000 -0.117) 2.342 4.019 ( 2.260 -0.000 -1.515) 2.721 4.186 ( 2.560 -0.000 0.113) 2.562 4.200 ( 1.553 -0.000 0.634) 1.678 4.853 ( 1.643 -0.000 -2.219) 2.761 4.888 ( -2.108 0.000 2.177) 3.030 4.955 ( -0.289 0.000 -0.378) 0.476 4.984 ( 0.688 -0.000 -0.399) 0.795 5.227 ( -0.579 0.000 -0.096) 0.587 5.274 ( 2.479 -0.000 3.435) 4.236 5.306 ( -0.527 0.000 0.066) 0.531 5.330 ( -0.796 0.000 -2.223) 2.361 6.237 ( -0.317 0.000 1.023) 1.071 6.352 ( -0.153 0.000 -4.584) 4.587 6.355 ( -1.737 0.000 2.200) 2.803 6.473 ( 1.741 -0.000 0.363) 1.779 6.756 ( -0.333 0.000 -0.240) 0.410 6.774 ( 0.204 -0.000 -0.255) 0.327 6.849 ( -1.429 0.000 -0.011) 1.429 7.156 ( -1.071 0.000 0.661) 1.258 ======================= Grid point 25 (16/60) ======================= q-point: (-0.43 -0.57 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.530 ( 0.000 -4.459 -0.000) 4.459 0.978 ( -0.000 4.008 0.000) 4.008 1.083 ( -0.000 1.792 0.000) 1.792 1.175 ( 0.000 -1.749 -0.000) 1.749 1.208 ( 0.000 -1.495 -0.000) 1.495 1.345 ( 0.000 -0.848 -0.000) 0.848 1.384 ( -0.000 2.602 0.000) 2.602 1.391 ( -0.000 2.357 0.000) 2.357 1.514 ( -0.000 2.797 0.000) 2.797 1.521 ( 0.000 -3.696 -0.000) 3.696 1.586 ( 0.000 -0.949 -0.000) 0.949 1.689 ( -0.000 2.721 0.000) 2.721 1.713 ( 0.000 -1.367 -0.000) 1.367 1.781 ( -0.000 1.021 0.000) 1.021 1.811 ( 0.000 -2.935 -0.000) 2.935 1.866 ( -0.000 3.068 0.000) 3.068 2.004 ( -0.000 4.655 0.000) 4.655 2.045 ( -0.000 4.098 0.000) 4.098 2.169 ( 0.000 -1.882 -0.000) 1.882 2.245 ( 0.000 -1.790 -0.000) 1.790 2.454 ( 0.000 -2.511 -0.000) 2.511 2.463 ( 0.000 -1.520 -0.000) 1.520 2.511 ( -0.000 0.096 0.000) 0.096 2.572 ( -0.000 3.118 0.000) 3.118 2.660 ( 0.000 -2.435 -0.000) 2.435 2.730 ( 0.000 -2.122 -0.000) 2.122 2.832 ( 0.000 -0.560 -0.000) 0.560 2.948 ( -0.000 3.081 0.000) 3.081 3.117 ( -0.000 2.733 0.000) 2.733 3.240 ( 0.000 -1.351 -0.000) 1.351 3.290 ( 0.000 -0.942 -0.000) 0.942 3.344 ( -0.000 0.425 0.000) 0.425 3.360 ( 0.000 -1.586 -0.000) 1.586 3.437 ( 0.000 -1.690 -0.000) 1.690 3.875 ( 0.000 -0.823 -0.000) 0.823 3.992 ( -0.000 4.156 0.000) 4.156 4.178 ( -0.000 2.877 0.000) 2.877 4.214 ( 0.000 -0.283 -0.000) 0.283 4.867 ( 0.000 -0.924 -0.000) 0.924 4.872 ( -0.000 0.680 0.000) 0.680 4.963 ( 0.000 -1.147 -0.000) 1.147 4.985 ( -0.000 0.307 0.000) 0.307 5.226 ( 0.000 -0.345 -0.000) 0.345 5.275 ( -0.000 1.904 0.000) 1.904 5.322 ( 0.000 -2.041 -0.000) 2.041 5.335 ( 0.000 -1.312 -0.000) 1.312 6.223 ( -0.000 1.292 0.000) 1.292 6.351 ( -0.000 0.363 0.000) 0.363 6.361 ( 0.000 -2.540 -0.000) 2.540 6.478 ( -0.000 0.845 0.000) 0.845 6.746 ( -0.000 0.635 0.000) 0.635 6.782 ( 0.000 -0.695 -0.000) 0.695 6.850 ( 0.000 -1.110 -0.000) 1.110 7.145 ( -0.000 0.675 0.000) 0.675 ======================= Grid point 51 (17/60) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.324 ( -2.643 0.000 14.521) 14.760 0.349 ( -3.710 0.000 15.194) 15.641 0.690 ( 3.491 -0.000 28.763) 28.974 0.926 ( 1.618 -0.000 -7.314) 7.490 0.951 ( 2.569 -0.000 -9.717) 10.051 1.119 ( 0.409 -0.000 1.873) 1.917 1.322 ( 1.110 -0.000 -5.593) 5.702 1.396 ( -2.795 0.000 -1.980) 3.425 1.463 ( -1.522 0.000 1.663) 2.254 1.484 ( 1.512 -0.000 4.371) 4.625 1.682 ( -0.947 0.000 -2.499) 2.672 1.695 ( 0.382 -0.000 1.256) 1.313 1.772 ( -0.748 0.000 0.542) 0.924 1.843 ( 1.778 -0.000 -4.261) 4.617 1.955 ( -0.231 0.000 1.606) 1.623 1.995 ( -0.002 0.000 3.542) 3.542 2.041 ( 0.613 -0.000 -2.298) 2.378 2.147 ( 0.357 -0.000 -3.249) 3.268 2.177 ( -3.705 0.000 2.205) 4.312 2.259 ( -3.378 0.000 -9.580) 10.159 2.274 ( 2.297 -0.000 2.037) 3.070 2.439 ( 1.042 -0.000 -0.975) 1.427 2.492 ( -3.751 0.000 3.917) 5.423 2.614 ( 0.508 -0.000 4.599) 4.627 2.688 ( 2.091 -0.000 -3.141) 3.773 2.838 ( 1.973 -0.000 -0.799) 2.129 2.853 ( 5.767 -0.000 -2.042) 6.118 2.860 ( 2.899 -0.000 -2.535) 3.851 3.097 ( -2.679 0.000 3.358) 4.296 3.246 ( 0.531 -0.000 -2.791) 2.841 3.291 ( 0.904 -0.000 2.549) 2.705 3.378 ( 4.431 -0.000 -1.618) 4.717 3.407 ( -0.688 0.000 2.923) 3.002 3.567 ( -5.421 0.000 -3.960) 6.714 3.631 ( 1.224 -0.000 3.060) 3.295 3.807 ( 1.350 -0.000 3.822) 4.054 3.834 ( -0.572 0.000 -3.591) 3.636 3.900 ( -0.914 0.000 -0.322) 0.969 4.758 ( 2.988 -0.000 0.324) 3.005 4.768 ( -0.934 0.000 -0.393) 1.013 4.957 ( 0.915 -0.000 -0.372) 0.988 4.990 ( -0.604 0.000 -1.782) 1.881 5.032 ( -0.366 0.000 2.621) 2.646 5.158 ( 2.763 -0.000 -2.374) 3.643 5.304 ( 0.702 -0.000 1.486) 1.644 5.379 ( 0.206 -0.000 -1.591) 1.604 6.300 ( -0.222 0.000 2.335) 2.346 6.384 ( -1.535 0.000 0.662) 1.672 6.443 ( -0.329 0.000 0.605) 0.688 6.553 ( 9.830 -0.000 -1.824) 9.998 6.807 ( -0.506 0.000 0.901) 1.033 6.826 ( 0.682 -0.000 0.056) 0.684 6.951 ( -7.235 0.000 2.018) 7.512 7.090 ( -1.689 0.000 -2.701) 3.185 ======================= Grid point 52 (18/60) ======================= q-point: ( 0.14 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.448 ( 2.687 -5.509 11.492) 13.024 0.494 ( 2.805 -8.299 9.522) 12.939 0.904 ( 7.088 -2.039 5.198) 9.023 0.920 ( 2.268 0.304 -8.020) 8.340 0.990 ( 5.651 -3.270 7.683) 10.083 1.189 ( 1.266 -4.748 2.130) 5.356 1.301 ( 0.966 1.326 -4.959) 5.223 1.358 ( -1.756 -1.092 -3.199) 3.809 1.467 ( 0.827 -0.601 0.049) 1.024 1.517 ( 0.089 0.502 4.418) 4.448 1.617 ( -1.692 2.454 -2.990) 4.223 1.676 ( -0.975 0.971 0.938) 1.666 1.751 ( -1.153 0.763 0.994) 1.703 1.849 ( -0.078 0.225 -2.929) 2.939 1.925 ( -2.039 2.292 1.797) 3.555 1.981 ( -0.640 1.768 0.007) 1.880 2.022 ( -2.387 -0.162 2.694) 3.603 2.142 ( -1.872 -0.679 -1.009) 2.232 2.164 ( 1.801 -1.268 -2.877) 3.623 2.234 ( -1.597 -2.749 -4.507) 5.515 2.317 ( 2.708 -0.575 0.951) 2.928 2.401 ( -2.398 4.004 1.262) 4.835 2.477 ( -0.226 -1.426 0.913) 1.708 2.632 ( -1.240 -0.124 3.495) 3.711 2.688 ( 0.035 0.189 -4.815) 4.819 2.831 ( 0.207 2.329 -1.379) 2.714 2.885 ( 2.676 -0.708 -1.682) 3.239 2.905 ( 4.225 0.543 -4.302) 6.055 3.090 ( -0.705 -0.006 4.020) 4.082 3.235 ( -0.152 1.696 -0.925) 1.938 3.295 ( 0.853 3.030 0.219) 3.156 3.305 ( 3.079 2.211 0.851) 3.885 3.470 ( -1.240 -1.753 2.550) 3.334 3.526 ( -2.227 -0.845 -2.300) 3.311 3.678 ( 1.534 -2.490 4.224) 5.137 3.811 ( -1.099 -0.381 -1.742) 2.095 3.872 ( 3.061 -1.688 -0.378) 3.516 4.041 ( 4.719 -8.763 -5.231) 11.244 4.764 ( -0.296 -0.444 -0.513) 0.740 4.794 ( 3.026 0.670 -0.440) 3.130 4.972 ( -0.691 0.583 -1.213) 1.513 5.034 ( -0.970 -0.824 1.452) 1.930 5.050 ( 1.746 -4.290 -3.129) 5.590 5.203 ( 3.508 -1.967 -5.533) 6.840 5.325 ( 1.426 -0.701 0.453) 1.653 5.371 ( 0.003 0.270 -1.824) 1.843 6.316 ( 0.668 -0.220 2.283) 2.389 6.366 ( -1.318 0.396 0.809) 1.596 6.434 ( -1.157 0.539 0.284) 1.308 6.502 ( -4.498 3.627 1.863) 6.071 6.797 ( -1.095 0.285 0.543) 1.255 6.838 ( 0.701 -0.388 0.084) 0.806 6.964 ( 2.749 2.074 1.580) 3.789 7.074 ( 1.014 -1.759 -3.376) 3.940 ======================= Grid point 53 (19/60) ======================= q-point: ( 0.29 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.620 ( 3.358 -4.870 8.559) 10.404 0.673 ( 1.859 -6.431 1.846) 6.944 0.927 ( 2.490 -1.527 -7.582) 8.125 1.011 ( 6.751 -2.413 -4.015) 8.217 1.134 ( 2.828 -0.505 5.910) 6.571 1.215 ( -3.533 0.036 1.630) 3.891 1.288 ( 3.081 -0.542 -3.929) 5.023 1.382 ( -3.550 -2.452 -0.314) 4.326 1.473 ( -1.476 3.786 2.635) 4.843 1.508 ( 1.812 -1.171 0.151) 2.162 1.575 ( -0.864 0.333 -2.943) 3.085 1.691 ( 1.875 0.567 3.302) 3.839 1.737 ( -0.858 -0.375 4.017) 4.124 1.818 ( 0.130 1.302 -2.050) 2.432 1.865 ( -0.491 1.251 1.367) 1.917 1.962 ( 1.172 0.921 0.979) 1.784 2.029 ( -0.507 -0.734 3.325) 3.443 2.121 ( -2.516 -0.070 1.026) 2.718 2.216 ( 2.752 -2.505 -5.114) 6.325 2.234 ( -2.141 0.618 3.827) 4.428 2.319 ( -0.714 -2.252 -3.072) 3.876 2.378 ( 3.929 0.442 -1.372) 4.185 2.504 ( 0.516 -0.268 -0.711) 0.919 2.591 ( -1.108 3.378 -3.717) 5.143 2.661 ( -3.436 -1.076 1.441) 3.879 2.785 ( -0.097 1.591 -2.067) 2.610 2.913 ( 1.633 0.481 -0.685) 1.835 2.934 ( 1.881 -1.609 -2.256) 3.349 3.115 ( 2.229 -0.152 3.633) 4.265 3.176 ( -1.860 2.042 -0.436) 2.796 3.306 ( 2.562 0.422 2.061) 3.315 3.322 ( 1.315 0.128 -2.044) 2.434 3.411 ( -6.619 3.154 -0.137) 7.333 3.503 ( -0.055 0.281 0.523) 0.596 3.766 ( 1.135 -2.138 2.379) 3.394 3.818 ( -1.182 -2.345 0.804) 2.747 3.957 ( 5.076 -3.524 -2.272) 6.584 4.185 ( 3.539 -4.165 -3.742) 6.624 4.766 ( -0.259 -0.471 -0.710) 0.891 4.826 ( 2.068 -0.588 0.598) 2.232 4.948 ( -0.952 0.394 -0.211) 1.052 5.025 ( -1.232 0.400 1.309) 1.842 5.100 ( 1.179 -1.266 -2.040) 2.675 5.233 ( 0.972 -0.569 -3.449) 3.628 5.351 ( 0.192 -0.373 -2.310) 2.347 5.358 ( 0.119 0.059 -1.107) 1.115 6.324 ( -0.270 0.521 0.746) 0.949 6.345 ( -1.200 1.375 2.147) 2.818 6.387 ( -3.518 1.118 2.601) 4.515 6.456 ( -0.195 -0.628 -0.788) 1.026 6.775 ( -1.057 0.636 0.075) 1.236 6.854 ( 0.421 -0.410 0.108) 0.598 6.924 ( -1.347 1.791 -0.546) 2.306 7.134 ( 4.144 -0.859 -0.780) 4.303 ======================= Grid point 54 (20/60) ======================= q-point: ( 0.43 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( 0.815 -0.901 7.368) 7.467 0.781 ( 2.013 -4.392 -4.026) 6.288 0.948 ( -2.048 -2.216 -2.570) 3.964 1.087 ( 4.661 4.564 -1.909) 6.797 1.146 ( 2.601 -2.579 -3.996) 5.420 1.198 ( -0.665 -1.997 -0.827) 2.262 1.311 ( -5.884 0.640 -4.544) 7.462 1.356 ( 1.198 -0.455 2.336) 2.664 1.434 ( 1.494 1.447 4.009) 4.516 1.520 ( -0.617 -0.568 -1.163) 1.434 1.554 ( 0.449 1.040 -0.326) 1.178 1.679 ( -0.623 1.852 1.362) 2.382 1.732 ( -1.755 0.400 7.449) 7.664 1.770 ( -1.151 0.948 -2.696) 3.081 1.935 ( 2.348 -1.524 0.482) 2.840 1.979 ( -0.433 1.641 4.893) 5.179 2.010 ( 0.748 -0.001 1.868) 2.012 2.118 ( -1.883 -1.717 1.149) 2.795 2.202 ( 0.784 1.623 3.053) 3.545 2.293 ( 3.013 -2.000 -4.338) 5.648 2.377 ( 1.061 0.942 -2.908) 3.235 2.412 ( -0.597 -0.494 -3.466) 3.551 2.477 ( 2.653 0.605 -1.850) 3.290 2.526 ( 1.637 -1.004 -1.672) 2.546 2.644 ( -4.465 -1.712 1.582) 5.036 2.770 ( 2.938 1.431 -1.061) 3.436 2.909 ( -2.258 0.017 0.591) 2.334 2.977 ( 0.868 -2.381 -1.776) 3.094 3.130 ( -2.939 0.647 0.739) 3.098 3.166 ( 2.103 0.242 0.511) 2.177 3.226 ( -4.464 2.465 1.293) 5.260 3.324 ( 0.151 0.899 -0.320) 0.967 3.364 ( 1.673 -0.074 -0.949) 1.925 3.508 ( 0.550 0.021 0.766) 0.943 3.787 ( 0.137 0.028 -0.248) 0.285 3.843 ( -1.306 -1.074 2.508) 3.025 4.078 ( 4.306 -3.381 -1.429) 5.658 4.227 ( 0.177 0.054 -3.569) 3.574 4.768 ( -0.313 -0.556 -0.730) 0.969 4.857 ( 1.038 -0.389 0.983) 1.482 4.942 ( -0.549 -0.287 0.894) 1.087 5.011 ( -0.055 0.197 -0.246) 0.320 5.121 ( 1.541 -0.110 -0.981) 1.830 5.234 ( 0.615 0.201 -1.098) 1.275 5.329 ( -0.890 0.263 -2.575) 2.738 5.362 ( 0.361 -0.254 -0.080) 0.448 6.285 ( -3.083 2.404 1.802) 4.305 6.320 ( 0.323 -0.217 -0.713) 0.812 6.359 ( -1.568 -0.114 0.539) 1.662 6.476 ( 0.536 -0.777 1.284) 1.594 6.758 ( -0.210 0.334 -0.366) 0.538 6.861 ( -0.021 -0.098 0.151) 0.181 6.893 ( -0.629 0.065 -0.551) 0.839 7.183 ( 2.337 -0.282 0.356) 2.381 ======================= Grid point 55 (21/60) ======================= q-point: (-0.43 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.708 ( -3.154 4.884 5.461) 7.977 0.794 ( -3.169 2.466 -8.917) 9.779 0.904 ( -3.078 2.099 6.591) 7.571 1.051 ( 1.968 1.826 -1.188) 2.936 1.174 ( -4.051 2.171 -7.809) 9.062 1.230 ( 0.839 -3.588 -4.623) 5.912 1.275 ( 3.994 -3.165 0.196) 5.100 1.391 ( 2.335 -1.556 2.005) 3.448 1.434 ( -2.366 1.797 5.137) 5.934 1.510 ( -1.681 0.442 0.145) 1.745 1.565 ( 3.863 0.146 -0.109) 3.867 1.644 ( 0.214 0.683 -1.662) 1.809 1.753 ( 1.529 0.307 -1.873) 2.437 1.765 ( -2.070 -2.442 7.077) 7.768 1.931 ( -4.650 2.083 0.426) 5.113 1.950 ( -0.173 0.015 2.946) 2.951 2.062 ( -0.387 0.428 1.190) 1.323 2.134 ( -1.743 1.255 4.389) 4.886 2.169 ( -1.112 0.935 3.197) 3.512 2.255 ( 2.073 0.777 -2.194) 3.117 2.336 ( 1.045 0.774 -6.088) 6.226 2.423 ( 0.400 -1.374 -2.044) 2.495 2.503 ( 3.337 -0.014 -3.729) 5.004 2.546 ( -1.284 1.677 0.187) 2.120 2.691 ( 2.956 -3.093 -1.739) 4.619 2.815 ( 3.579 -0.345 2.970) 4.664 2.856 ( -5.227 -0.780 -1.997) 5.650 3.002 ( -2.168 -0.846 -3.059) 3.843 3.047 ( -4.436 0.735 2.452) 5.121 3.177 ( 2.475 -0.976 0.434) 2.696 3.263 ( 2.103 -1.921 2.615) 3.867 3.303 ( 0.067 0.942 -0.872) 1.285 3.375 ( 1.444 0.013 -1.406) 2.015 3.514 ( -0.388 -0.077 0.780) 0.874 3.776 ( -0.619 1.070 -0.025) 1.236 3.844 ( -0.191 0.754 2.222) 2.354 4.085 ( -3.923 2.998 -1.463) 5.150 4.216 ( 1.124 -0.472 -3.459) 3.668 4.769 ( -0.318 -0.332 -0.635) 0.784 4.871 ( -0.059 0.161 0.780) 0.799 4.945 ( 0.064 -0.253 1.834) 1.853 5.010 ( -0.105 -0.024 -1.030) 1.035 5.136 ( 2.410 0.824 -1.341) 2.878 5.242 ( 1.299 -0.018 0.082) 1.302 5.313 ( 0.417 -0.121 -3.347) 3.375 5.381 ( 1.338 -0.710 -0.672) 1.657 6.227 ( -1.751 1.188 1.433) 2.556 6.340 ( -0.206 -0.904 -0.358) 0.994 6.344 ( 0.078 -0.160 0.964) 0.981 6.496 ( 0.378 -0.148 1.172) 1.241 6.755 ( 0.248 -0.194 -0.427) 0.531 6.858 ( -0.305 0.334 0.201) 0.495 6.901 ( -0.323 -1.906 -0.522) 2.003 7.204 ( 0.606 0.103 0.242) 0.660 ======================= Grid point 56 (22/60) ======================= q-point: (-0.29 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.575 ( -3.738 8.149 6.482) 11.063 0.588 ( -6.799 8.516 -1.292) 10.974 0.874 ( -3.304 2.051 7.675) 8.604 1.024 ( -0.875 1.970 -2.121) 3.024 1.059 ( -2.739 2.672 -8.507) 9.328 1.244 ( -2.948 1.676 0.532) 3.432 1.326 ( -0.155 -0.025 0.075) 0.175 1.414 ( 1.573 -0.624 -0.147) 1.698 1.465 ( 0.690 -0.330 -1.847) 1.999 1.506 ( 1.480 -2.253 4.696) 5.415 1.595 ( 0.570 0.404 -2.687) 2.776 1.667 ( 1.340 -1.680 0.451) 2.196 1.723 ( -6.426 4.530 0.613) 7.886 1.789 ( 1.611 -0.361 0.112) 1.655 1.823 ( 0.745 -3.699 2.750) 4.669 1.968 ( -0.708 -0.511 2.146) 2.317 2.067 ( 3.788 2.900 0.474) 4.794 2.110 ( -0.610 -1.331 5.871) 6.051 2.200 ( 1.077 -0.020 -2.373) 2.606 2.295 ( -2.046 0.647 -3.198) 3.852 2.324 ( 1.321 -4.287 1.246) 4.656 2.426 ( 0.620 1.098 -0.418) 1.329 2.495 ( 0.469 -0.608 -0.140) 0.780 2.580 ( 5.009 -0.719 -3.288) 6.035 2.686 ( -4.338 1.271 -4.659) 6.492 2.801 ( 1.019 -0.666 -3.463) 3.671 2.861 ( -1.197 0.814 2.076) 2.531 2.940 ( -2.805 0.999 -3.013) 4.236 3.055 ( -0.882 -2.099 4.845) 5.353 3.215 ( -0.681 -0.995 1.284) 1.761 3.281 ( -0.836 0.552 0.639) 1.189 3.304 ( 0.185 -0.039 -0.794) 0.816 3.436 ( 5.201 -1.662 -0.135) 5.462 3.512 ( -0.294 -0.702 0.865) 1.152 3.727 ( -2.637 2.606 0.310) 3.720 3.833 ( -0.081 1.432 2.240) 2.660 3.955 ( -4.152 3.640 -2.519) 6.069 4.190 ( -1.180 2.227 -3.588) 4.385 4.767 ( -0.525 -0.266 -0.504) 0.775 4.853 ( -1.773 0.775 0.602) 2.026 4.974 ( 1.738 -0.795 0.994) 2.154 5.002 ( -0.652 -0.136 -0.202) 0.696 5.140 ( 2.761 1.593 -2.048) 3.789 5.261 ( 2.021 0.586 -0.445) 2.151 5.296 ( 0.411 1.441 -6.487) 6.658 5.394 ( 0.767 0.423 -2.568) 2.713 6.225 ( 0.996 -0.496 4.424) 4.562 6.322 ( -1.531 0.250 1.070) 1.885 6.385 ( 1.082 -1.340 1.393) 2.216 6.491 ( -0.310 1.216 -0.274) 1.284 6.770 ( 0.867 -0.871 0.017) 1.229 6.844 ( -0.598 0.734 0.199) 0.967 6.943 ( -0.676 -4.025 -0.767) 4.153 7.199 ( -0.815 0.089 -1.368) 1.595 ======================= Grid point 57 (23/60) ======================= q-point: (-0.14 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.399 ( -6.896 5.206 10.196) 13.365 0.420 ( -1.969 9.190 11.710) 15.015 0.746 ( -11.211 8.999 18.923) 23.764 0.960 ( 1.040 1.143 -9.826) 9.947 0.967 ( -0.971 0.760 -6.901) 7.010 1.156 ( -1.015 3.938 1.920) 4.497 1.328 ( 0.273 -0.703 -5.124) 5.180 1.429 ( -0.901 -0.039 0.564) 1.064 1.459 ( -0.197 -0.100 0.565) 0.607 1.491 ( -2.280 1.794 1.852) 3.441 1.629 ( 2.206 -2.612 1.480) 3.725 1.685 ( 0.774 -0.552 -0.162) 0.965 1.736 ( 0.920 -3.166 1.154) 3.493 1.835 ( 3.175 -0.200 -1.641) 3.579 1.914 ( 2.078 -2.852 1.464) 3.820 1.975 ( 0.832 -0.248 0.568) 1.038 2.044 ( 0.655 1.845 -0.427) 2.004 2.151 ( -0.264 -0.655 0.621) 0.940 2.209 ( 1.739 1.339 2.346) 3.212 2.247 ( -2.644 -1.117 -2.139) 3.580 2.362 ( -1.160 0.944 -7.963) 8.102 2.431 ( -0.453 -1.680 1.528) 2.316 2.500 ( -1.918 0.416 2.169) 2.925 2.601 ( -0.077 0.644 1.741) 1.858 2.653 ( 3.904 -1.120 -3.197) 5.169 2.815 ( 1.374 -0.212 -3.137) 3.431 2.835 ( -0.534 0.341 -0.092) 0.640 2.872 ( -0.776 2.318 -2.988) 3.861 3.102 ( -1.179 -1.476 4.584) 4.958 3.231 ( -1.342 -3.024 2.085) 3.911 3.262 ( 0.198 0.671 -1.323) 1.496 3.303 ( -0.894 -1.063 0.904) 1.657 3.458 ( -0.409 2.370 3.431) 4.190 3.567 ( 2.655 -1.695 -0.961) 3.293 3.648 ( -1.855 2.326 0.599) 3.035 3.817 ( -1.915 -0.092 2.494) 3.145 3.867 ( -1.601 1.371 -2.944) 3.621 4.075 ( -2.306 7.471 -6.809) 10.368 4.759 ( -1.172 -0.168 -0.293) 1.220 4.810 ( -2.542 1.281 -0.555) 2.900 4.989 ( 0.514 0.225 -2.209) 2.280 5.014 ( 0.634 -0.226 2.042) 2.150 5.114 ( 2.623 9.813 -7.408) 12.572 5.160 ( -2.529 1.812 -5.033) 5.917 5.289 ( 0.631 -0.226 1.219) 1.392 5.382 ( 0.119 0.084 -1.504) 1.511 6.299 ( 0.392 0.017 2.791) 2.818 6.332 ( 4.555 -3.264 5.324) 7.730 6.415 ( 0.630 -0.201 2.662) 2.743 6.458 ( 0.429 1.547 -0.441) 1.665 6.799 ( 0.786 -0.838 0.528) 1.264 6.824 ( -0.485 0.565 0.166) 0.763 6.998 ( -3.824 -5.433 -1.789) 6.881 7.157 ( -2.714 1.583 -4.164) 5.216 ======================= Grid point 59 (24/60) ======================= q-point: ( 0.14 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.535 ( 8.821 -0.000 9.929) 13.282 0.543 ( 6.933 -0.000 8.140) 10.692 0.904 ( 1.997 -0.000 -8.969) 9.189 0.958 ( 6.049 -0.000 -7.188) 9.394 1.161 ( 10.837 -0.000 17.063) 20.213 1.169 ( 2.254 -0.000 1.869) 2.929 1.313 ( 1.813 -0.000 -3.065) 3.561 1.317 ( -1.232 0.000 -3.344) 3.564 1.464 ( 1.379 -0.000 -0.601) 1.504 1.543 ( -0.991 0.000 4.493) 4.601 1.613 ( -0.416 0.000 -4.054) 4.075 1.647 ( -3.690 0.000 0.496) 3.723 1.746 ( -0.951 0.000 0.595) 1.122 1.831 ( -0.087 0.000 -2.122) 2.124 1.919 ( -2.728 0.000 -1.157) 2.963 1.980 ( -2.103 0.000 3.273) 3.891 1.998 ( -2.935 0.000 4.646) 5.496 2.124 ( 2.255 -0.000 -8.221) 8.524 2.128 ( -2.173 0.000 0.414) 2.212 2.216 ( 1.362 -0.000 0.244) 1.384 2.337 ( -0.156 0.000 1.164) 1.174 2.415 ( -3.043 0.000 4.529) 5.457 2.461 ( 2.075 -0.000 -3.750) 4.285 2.616 ( -2.972 0.000 4.627) 5.499 2.672 ( -0.393 0.000 -5.500) 5.514 2.858 ( -0.764 0.000 -0.737) 1.061 2.862 ( -0.331 0.000 -2.856) 2.875 2.926 ( 2.716 -0.000 -7.945) 8.397 3.134 ( 3.339 -0.000 4.316) 5.457 3.263 ( 2.219 -0.000 -1.845) 2.886 3.326 ( -0.274 0.000 2.836) 2.849 3.361 ( -2.433 0.000 0.736) 2.542 3.433 ( -1.229 0.000 3.349) 3.567 3.515 ( 2.168 -0.000 -5.521) 5.931 3.686 ( 1.378 -0.000 5.316) 5.492 3.807 ( 1.568 -0.000 -4.184) 4.468 3.938 ( 4.567 -0.000 -0.980) 4.671 3.983 ( 6.802 -0.000 -1.408) 6.946 4.763 ( 0.802 -0.000 -0.484) 0.937 4.853 ( 3.630 -0.000 -2.849) 4.615 4.976 ( 0.125 -0.000 -1.602) 1.607 5.030 ( -1.367 0.000 2.210) 2.599 5.034 ( 4.957 -0.000 0.940) 5.046 5.202 ( 2.170 -0.000 -4.944) 5.400 5.334 ( 0.644 -0.000 0.657) 0.920 5.363 ( -0.324 0.000 -2.202) 2.226 6.343 ( 2.057 -0.000 2.527) 3.259 6.352 ( -1.385 0.000 -0.003) 1.385 6.425 ( -0.643 0.000 -1.682) 1.801 6.447 ( -8.190 0.000 4.547) 9.368 6.787 ( -1.083 0.000 0.343) 1.136 6.832 ( -0.583 0.000 0.466) 0.746 6.992 ( -3.915 0.000 -1.760) 4.292 7.097 ( 7.036 -0.000 -2.327) 7.411 ======================= Grid point 60 (25/60) ======================= q-point: ( 0.29 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.631 ( 1.095 -2.475 -0.596) 2.771 0.703 ( 9.473 -1.422 7.702) 12.291 0.923 ( 3.651 -0.294 -3.196) 4.861 1.021 ( 7.195 -1.855 -8.102) 10.993 1.199 ( 1.680 0.898 1.207) 2.255 1.253 ( 2.748 3.796 0.687) 4.736 1.296 ( -0.165 -0.381 -3.004) 3.033 1.346 ( 2.114 1.155 5.292) 5.815 1.487 ( -1.028 0.448 1.169) 1.620 1.530 ( 0.351 -0.078 0.810) 0.886 1.578 ( 0.080 1.332 -1.714) 2.172 1.679 ( -1.595 -4.695 1.326) 5.133 1.735 ( 1.193 0.678 1.998) 2.423 1.831 ( -0.951 1.150 -0.561) 1.594 1.856 ( -2.386 -0.139 0.216) 2.400 1.984 ( -0.805 0.391 3.658) 3.766 2.018 ( 1.912 -2.965 3.430) 4.921 2.103 ( -1.663 0.287 0.897) 1.911 2.146 ( 1.089 -2.772 -7.347) 7.927 2.238 ( 1.067 -0.583 2.334) 2.632 2.297 ( -3.545 0.813 2.866) 4.630 2.417 ( 2.518 0.545 -1.156) 2.824 2.490 ( 1.010 -1.622 -2.870) 3.448 2.592 ( -3.421 0.446 2.147) 4.064 2.622 ( -2.053 1.479 -3.408) 4.245 2.804 ( -0.310 1.765 -1.255) 2.188 2.891 ( -0.719 -2.418 -1.029) 2.724 2.930 ( 2.404 -0.505 -6.516) 6.964 3.173 ( 1.533 1.623 2.121) 3.080 3.236 ( 1.890 3.818 1.061) 4.390 3.329 ( 0.293 0.605 -0.246) 0.716 3.353 ( -0.780 0.786 2.051) 2.331 3.384 ( -4.230 1.903 1.422) 4.852 3.521 ( 0.904 -0.840 -1.979) 2.332 3.747 ( 1.562 -1.363 3.003) 3.649 3.817 ( 3.323 0.663 -0.943) 3.517 3.979 ( 6.255 -0.529 -1.932) 6.568 4.130 ( 3.818 -5.501 -2.050) 7.003 4.773 ( 1.235 0.303 -0.338) 1.316 4.873 ( 3.467 0.956 -1.022) 3.739 4.953 ( -0.386 1.323 -0.566) 1.490 5.022 ( -1.690 -0.213 2.031) 2.651 5.109 ( 4.469 -0.134 -0.402) 4.489 5.217 ( 1.127 -1.291 -3.466) 3.866 5.336 ( -0.823 0.264 -1.457) 1.694 5.352 ( -0.153 -0.390 -0.809) 0.911 6.329 ( -0.942 0.400 -1.104) 1.506 6.362 ( -3.913 1.661 3.395) 5.440 6.369 ( -0.449 0.978 1.604) 1.932 6.433 ( 0.456 -1.701 -0.227) 1.775 6.770 ( -1.019 0.436 0.099) 1.113 6.835 ( -1.135 -1.313 0.397) 1.780 6.931 ( -2.422 1.214 -0.300) 2.726 7.154 ( 2.432 -0.695 -1.717) 3.057 ======================= Grid point 61 (26/60) ======================= q-point: ( 0.43 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( -0.909 -5.529 -5.369) 7.760 0.843 ( 6.534 1.019 4.972) 8.274 0.949 ( 2.774 2.063 3.320) 4.793 1.120 ( 4.387 -3.376 -5.801) 8.018 1.182 ( 2.216 1.853 -3.618) 4.630 1.215 ( 3.739 3.573 -1.620) 5.420 1.264 ( -2.113 2.079 -0.871) 3.089 1.367 ( 0.361 0.030 1.843) 1.879 1.447 ( -2.422 0.489 0.737) 2.578 1.546 ( 2.200 1.086 0.477) 2.499 1.581 ( 2.559 0.440 -1.657) 3.080 1.688 ( -2.373 -0.828 0.693) 2.607 1.744 ( -2.952 0.868 -0.975) 3.228 1.755 ( -0.961 1.742 6.545) 6.840 1.901 ( -1.193 -2.970 0.899) 3.325 1.993 ( -0.948 -2.430 2.909) 3.907 2.030 ( -2.357 3.937 2.245) 5.108 2.084 ( -1.418 0.054 1.762) 2.262 2.210 ( 0.781 -2.245 0.800) 2.508 2.284 ( 2.165 -1.719 -1.111) 2.980 2.357 ( 4.605 -5.999 0.287) 7.568 2.415 ( 0.428 2.461 -4.802) 5.413 2.496 ( 1.444 -0.191 -4.363) 4.600 2.518 ( -1.573 0.807 -1.894) 2.591 2.575 ( -3.682 0.057 0.853) 3.780 2.815 ( 2.469 -1.005 2.084) 3.384 2.889 ( -2.665 0.303 -0.835) 2.809 2.954 ( 2.634 -0.906 -3.823) 4.731 3.117 ( -4.917 3.122 1.778) 6.090 3.208 ( -0.654 2.866 -0.433) 2.972 3.262 ( 2.456 2.338 2.483) 4.203 3.340 ( -0.489 0.738 0.239) 0.917 3.379 ( 1.170 -0.062 -0.223) 1.193 3.543 ( 1.310 -0.191 -0.139) 1.331 3.769 ( 0.104 0.166 -0.135) 0.238 3.857 ( 3.101 0.135 2.243) 3.829 4.077 ( 4.732 -2.488 -1.921) 5.681 4.200 ( -0.211 -1.040 -2.284) 2.519 4.780 ( 1.525 0.634 -0.411) 1.702 4.898 ( 2.983 1.094 0.228) 3.185 4.936 ( -0.307 0.014 0.358) 0.472 5.012 ( -0.959 -0.002 0.786) 1.240 5.150 ( 3.812 0.425 -1.968) 4.311 5.239 ( 1.214 -0.522 -0.137) 1.329 5.306 ( -1.335 0.114 -2.667) 2.984 5.358 ( 0.010 -0.539 0.058) 0.542 6.281 ( -3.880 1.781 0.976) 4.380 6.317 ( 0.076 -0.120 -0.808) 0.820 6.365 ( 0.883 1.101 0.929) 1.690 6.470 ( 0.491 -1.269 1.557) 2.068 6.755 ( -0.534 0.190 -0.272) 0.629 6.844 ( -1.218 -1.219 0.279) 1.746 6.895 ( -0.823 0.706 0.257) 1.115 7.175 ( -0.696 -1.193 -0.743) 1.568 ======================= Grid point 62 (27/60) ======================= q-point: (-0.43 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.724 ( -2.283 -2.674 -3.955) 5.292 0.847 ( 0.726 5.062 2.631) 5.751 0.944 ( 0.759 3.360 5.161) 6.205 1.129 ( 2.376 3.151 -6.233) 7.378 1.178 ( 0.246 4.323 -1.555) 4.600 1.203 ( 4.034 0.704 -0.139) 4.097 1.279 ( 6.207 -3.050 -3.068) 7.566 1.372 ( -1.385 -1.252 1.502) 2.397 1.430 ( -1.198 -1.090 -0.564) 1.715 1.527 ( -1.353 2.641 2.790) 4.073 1.610 ( 4.071 -0.894 -4.365) 6.036 1.654 ( -1.248 1.539 -0.425) 2.027 1.730 ( -1.327 -0.949 5.885) 6.107 1.760 ( -0.525 -0.637 2.213) 2.362 1.894 ( -4.559 0.372 1.461) 4.802 1.956 ( -3.769 2.168 2.882) 5.217 2.048 ( -2.998 -0.067 1.269) 3.256 2.073 ( -0.425 -5.357 2.942) 6.127 2.216 ( -1.943 2.243 4.235) 5.171 2.275 ( -1.574 2.479 -2.125) 3.625 2.344 ( 2.407 1.403 -7.618) 8.111 2.422 ( 3.131 -0.760 -2.694) 4.199 2.492 ( -0.943 -0.363 -4.428) 4.542 2.540 ( -1.115 -0.954 -0.324) 1.502 2.645 ( 4.094 -5.644 -0.758) 7.014 2.815 ( -3.037 1.776 -2.335) 4.222 2.881 ( 2.698 -0.029 4.025) 4.846 2.984 ( 1.007 1.070 0.417) 1.527 3.008 ( -3.897 0.581 1.857) 4.356 3.200 ( 2.028 -0.040 0.458) 2.080 3.282 ( 1.500 0.512 2.333) 2.821 3.324 ( 0.944 0.912 -1.465) 1.967 3.392 ( 1.897 -0.316 -1.392) 2.374 3.548 ( 0.834 1.106 0.146) 1.393 3.752 ( -1.699 0.651 -0.149) 1.826 3.900 ( 3.432 0.946 2.740) 4.492 4.087 ( -3.049 3.280 -0.912) 4.570 4.194 ( 0.496 -1.183 -3.258) 3.502 4.787 ( 1.850 0.878 -0.518) 2.112 4.899 ( 0.682 1.817 0.458) 1.994 4.948 ( 1.148 -0.612 1.086) 1.694 5.004 ( -0.714 0.007 0.153) 0.730 5.170 ( 2.184 0.527 -2.993) 3.742 5.261 ( 0.880 0.226 1.750) 1.972 5.301 ( 1.930 -1.038 -4.362) 4.882 5.375 ( 0.806 -1.089 -0.760) 1.554 6.229 ( -1.536 0.757 2.043) 2.665 6.326 ( 0.208 -0.518 -0.491) 0.743 6.366 ( 1.766 0.831 0.957) 2.173 6.495 ( -0.280 -0.695 1.218) 1.430 6.749 ( -0.140 -0.252 -0.305) 0.419 6.845 ( -1.352 -0.677 0.295) 1.540 6.887 ( 0.182 -0.035 0.337) 0.385 7.171 ( -2.838 -1.404 -0.769) 3.258 ======================= Grid point 63 (28/60) ======================= q-point: (-0.29 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.661 ( -2.285 5.696 0.216) 6.141 0.762 ( 1.966 7.239 3.030) 8.090 0.903 ( -0.957 2.957 3.798) 4.908 1.058 ( 0.242 4.364 -7.303) 8.511 1.101 ( 0.906 5.534 0.094) 5.608 1.242 ( 3.080 0.389 2.067) 3.729 1.346 ( -1.521 2.118 1.335) 2.929 1.397 ( 1.036 -2.875 -2.178) 3.753 1.434 ( -0.957 -1.311 -2.732) 3.178 1.522 ( 2.511 -1.412 4.491) 5.335 1.626 ( 0.361 0.891 -1.838) 2.074 1.650 ( 0.820 -0.203 -1.071) 1.364 1.729 ( -7.416 5.972 1.124) 9.588 1.775 ( 1.599 -2.573 -0.675) 3.103 1.791 ( 0.079 -2.177 5.659) 6.064 1.917 ( -3.871 -2.629 2.110) 5.133 2.075 ( -2.010 -2.758 3.934) 5.208 2.141 ( 1.686 0.447 0.396) 1.789 2.181 ( -0.687 -1.574 2.432) 2.978 2.265 ( -1.190 -2.239 -1.552) 2.973 2.290 ( 0.122 2.132 -4.989) 5.427 2.447 ( 0.393 1.131 -4.816) 4.963 2.490 ( 2.073 -0.989 0.414) 2.334 2.574 ( 0.985 -2.738 -2.892) 4.103 2.664 ( -0.505 1.469 -4.138) 4.420 2.802 ( 2.118 -0.608 -0.865) 2.367 2.880 ( -2.313 1.985 2.094) 3.698 2.937 ( -0.834 1.311 0.076) 1.555 3.043 ( 0.932 -0.966 5.961) 6.110 3.220 ( 0.788 0.661 0.753) 1.274 3.276 ( -1.458 0.886 1.470) 2.252 3.317 ( 1.053 0.842 -3.280) 3.546 3.462 ( 4.864 -2.517 -0.939) 5.557 3.542 ( 1.465 0.606 0.234) 1.602 3.702 ( -3.533 1.521 1.280) 4.054 3.919 ( 1.806 2.735 3.010) 4.450 3.962 ( -2.757 4.440 -1.741) 5.509 4.186 ( -0.564 0.806 -3.514) 3.650 4.789 ( 1.751 1.368 -0.565) 2.293 4.863 ( -1.151 2.172 0.280) 2.473 4.986 ( 1.635 -0.384 -0.323) 1.711 4.995 ( -0.602 -0.272 2.470) 2.557 5.168 ( 0.846 0.451 -2.845) 3.002 5.273 ( 0.061 -0.377 -0.057) 0.386 5.322 ( 3.633 0.759 -6.226) 7.248 5.389 ( 0.198 -0.203 -3.954) 3.964 6.244 ( 1.209 -1.251 4.870) 5.172 6.323 ( -0.439 0.556 1.002) 1.227 6.393 ( 2.163 -0.310 0.711) 2.298 6.487 ( -2.129 0.216 0.015) 2.140 6.767 ( 1.600 -0.964 0.339) 1.898 6.834 ( -1.881 -0.138 0.351) 1.918 6.904 ( 0.810 -0.916 0.906) 1.522 7.146 ( -3.901 -1.291 -1.985) 4.564 ======================= Grid point 64 (29/60) ======================= q-point: (-0.14 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.527 ( -0.219 8.650 6.124) 10.601 0.652 ( -0.493 11.128 6.871) 13.088 0.868 ( 1.085 3.791 7.949) 8.873 0.941 ( 0.620 3.020 -9.935) 10.402 1.026 ( 1.285 5.556 2.287) 6.144 1.252 ( 0.972 5.081 4.770) 7.037 1.291 ( -0.017 -0.795 -4.418) 4.489 1.408 ( -0.885 0.824 -2.792) 3.042 1.441 ( 0.037 -1.746 0.474) 1.809 1.532 ( -1.412 3.437 0.065) 3.716 1.605 ( 0.477 -2.146 0.008) 2.198 1.656 ( -0.529 -1.741 -0.422) 1.868 1.709 ( 0.632 -2.354 3.535) 4.294 1.831 ( 0.790 -2.575 -1.845) 3.265 1.878 ( 0.164 -3.610 4.558) 5.817 1.937 ( -0.432 -2.926 -1.223) 3.201 2.058 ( -3.249 0.854 2.508) 4.192 2.160 ( 1.139 0.285 0.557) 1.300 2.190 ( -1.626 0.308 -3.920) 4.255 2.271 ( 3.706 -0.340 1.014) 3.857 2.308 ( -2.449 -2.446 -0.949) 3.589 2.385 ( -1.582 0.948 -5.902) 6.183 2.501 ( -0.846 0.847 0.971) 1.541 2.611 ( 0.716 -1.582 0.355) 1.772 2.679 ( 3.815 -0.787 -2.753) 4.770 2.808 ( -1.291 -0.045 -0.741) 1.489 2.851 ( 1.969 0.347 0.702) 2.119 2.903 ( 0.684 1.841 -1.713) 2.606 3.087 ( -0.774 -0.890 5.014) 5.151 3.217 ( 1.064 0.498 0.807) 1.426 3.248 ( -2.082 -0.444 0.398) 2.166 3.298 ( 1.390 1.138 -3.514) 3.947 3.499 ( -0.661 1.284 2.927) 3.263 3.566 ( -1.449 -1.044 -1.879) 2.592 3.665 ( 1.985 1.310 3.276) 4.048 3.861 ( -1.615 2.128 -2.016) 3.347 3.900 ( 1.202 4.361 2.806) 5.323 4.134 ( 1.608 3.846 -5.838) 7.174 4.781 ( 1.445 1.656 -0.053) 2.199 4.806 ( -2.061 1.876 -0.463) 2.825 4.978 ( -0.969 -0.151 0.019) 0.981 5.029 ( 0.706 -0.351 2.366) 2.494 5.141 ( -1.851 1.386 -4.381) 4.954 5.242 ( 2.027 3.323 -9.559) 10.321 5.319 ( 3.242 1.738 -2.430) 4.408 5.373 ( -0.270 -0.232 -1.687) 1.724 6.313 ( -0.137 0.707 1.914) 2.045 6.332 ( 1.420 -3.368 4.671) 5.931 6.431 ( 2.473 -0.782 0.460) 2.634 6.451 ( -2.823 -0.765 0.926) 3.068 6.806 ( 0.425 0.139 0.447) 0.632 6.815 ( 0.043 -0.705 0.638) 0.952 6.933 ( -0.118 -0.590 2.804) 2.867 7.107 ( -2.496 -0.554 -4.016) 4.761 ======================= Grid point 67 (30/60) ======================= q-point: ( 0.29 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.575 ( -3.975 0.000 -3.134) 5.062 0.826 ( 8.761 -0.000 5.257) 10.217 0.997 ( 6.963 -0.000 0.857) 7.016 1.062 ( 5.618 -0.000 -6.180) 8.352 1.215 ( -0.545 0.000 -4.220) 4.255 1.304 ( 2.057 -0.000 -2.304) 3.088 1.313 ( 2.971 -0.000 2.895) 4.148 1.416 ( 0.480 -0.000 1.228) 1.319 1.490 ( -3.693 0.000 0.964) 3.816 1.533 ( 2.259 -0.000 0.566) 2.329 1.587 ( -0.104 0.000 -0.600) 0.609 1.616 ( 1.008 -0.000 -0.738) 1.249 1.745 ( -0.764 0.000 -2.960) 3.057 1.824 ( -0.596 0.000 0.459) 0.752 1.855 ( -1.073 0.000 10.314) 10.369 1.970 ( -2.821 0.000 0.114) 2.823 2.033 ( 5.840 -0.000 0.858) 5.903 2.103 ( -0.154 0.000 4.542) 4.545 2.136 ( 4.599 -0.000 -9.580) 10.626 2.247 ( -6.829 0.000 5.040) 8.488 2.249 ( -0.446 0.000 3.061) 3.094 2.464 ( 3.041 -0.000 1.485) 3.385 2.466 ( 1.748 -0.000 -7.728) 7.923 2.567 ( -2.746 0.000 2.792) 3.917 2.598 ( -2.353 0.000 -3.504) 4.220 2.823 ( -0.982 0.000 -1.621) 1.895 2.836 ( -0.596 0.000 -0.981) 1.148 2.938 ( 3.653 -0.000 -4.471) 5.774 3.203 ( -1.825 0.000 3.326) 3.794 3.289 ( 0.595 -0.000 -2.326) 2.401 3.336 ( -2.405 0.000 3.724) 4.433 3.342 ( 0.448 -0.000 -0.287) 0.532 3.392 ( -0.950 0.000 3.533) 3.658 3.454 ( -3.779 0.000 -3.749) 5.323 3.796 ( 3.653 -0.000 3.857) 5.313 3.876 ( 5.757 -0.000 -2.982) 6.484 4.073 ( 5.599 -0.000 -0.243) 5.604 4.110 ( 4.749 -0.000 -1.772) 5.069 4.796 ( 1.695 -0.000 0.350) 1.731 4.909 ( 2.517 -0.000 -1.614) 2.990 4.965 ( 0.028 -0.000 -0.805) 0.806 4.993 ( -2.838 0.000 2.646) 3.880 5.190 ( 5.635 -0.000 0.601) 5.667 5.194 ( 0.567 -0.000 -4.353) 4.390 5.327 ( -0.917 0.000 -2.200) 2.384 5.337 ( -0.727 0.000 0.728) 1.029 6.308 ( -1.122 0.000 -2.823) 3.038 6.331 ( -4.315 0.000 3.739) 5.710 6.405 ( -0.067 0.000 -0.102) 0.122 6.428 ( 2.854 -0.000 2.043) 3.509 6.765 ( -0.746 0.000 -0.027) 0.747 6.798 ( -2.136 0.000 0.739) 2.261 6.908 ( -2.402 0.000 1.160) 2.667 7.158 ( 0.430 -0.000 -2.747) 2.781 ======================= Grid point 68 (31/60) ======================= q-point: ( 0.43 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.561 ( -2.054 -4.240 -0.788) 4.777 0.936 ( 4.937 1.249 3.119) 5.972 1.050 ( 3.990 1.813 1.047) 4.506 1.107 ( 2.329 -1.339 -3.855) 4.699 1.200 ( 0.615 -1.077 -1.503) 1.948 1.291 ( 2.650 2.777 -2.333) 4.492 1.334 ( 2.746 2.990 -0.604) 4.105 1.397 ( 0.727 1.749 -0.652) 2.003 1.443 ( -1.635 0.750 0.241) 1.815 1.566 ( 0.648 -2.096 -0.353) 2.222 1.592 ( 0.203 0.230 -2.743) 2.760 1.632 ( -0.357 -0.501 -1.320) 1.457 1.714 ( -1.261 -0.001 0.884) 1.540 1.824 ( -1.159 -0.101 1.136) 1.626 1.865 ( 0.243 2.747 9.025) 9.437 1.939 ( -2.647 -1.199 0.135) 2.909 2.077 ( -1.652 3.526 0.644) 3.947 2.101 ( -0.977 2.377 3.585) 4.411 2.188 ( 2.238 -2.772 1.218) 3.765 2.251 ( 0.988 -3.963 -2.535) 4.808 2.295 ( 1.981 -5.916 1.826) 6.500 2.447 ( 2.592 1.371 -6.631) 7.251 2.502 ( 1.445 0.685 -3.753) 4.080 2.509 ( -1.957 2.133 -2.843) 4.057 2.555 ( -1.144 0.355 0.159) 1.208 2.820 ( -0.106 -1.187 2.701) 2.952 2.840 ( -2.035 -1.642 -0.509) 2.663 2.985 ( 5.514 -0.253 -1.467) 5.712 3.132 ( -5.569 4.789 4.516) 8.622 3.245 ( -0.738 2.616 -0.457) 2.757 3.317 ( 0.655 -0.618 -1.926) 2.126 3.339 ( -0.441 0.613 1.366) 1.561 3.390 ( -0.256 0.205 0.781) 0.847 3.466 ( -3.347 -4.620 -0.702) 5.748 3.839 ( 4.248 1.952 1.804) 5.011 3.925 ( 4.072 1.325 0.728) 4.343 4.110 ( 4.989 0.558 -2.139) 5.457 4.181 ( 1.127 -1.082 -1.155) 1.943 4.812 ( 1.630 0.583 0.402) 1.777 4.926 ( 0.441 0.119 -0.807) 0.927 4.954 ( 1.362 0.664 0.723) 1.679 4.988 ( -1.836 -1.009 1.573) 2.619 5.181 ( 1.213 0.203 -4.086) 4.267 5.251 ( 2.642 -1.088 -2.206) 3.610 5.295 ( -0.461 1.432 0.228) 1.522 5.344 ( -0.264 -0.995 0.341) 1.085 6.269 ( -2.214 1.392 0.094) 2.617 6.308 ( -0.719 -0.599 -0.138) 0.946 6.403 ( 0.853 0.710 1.399) 1.786 6.469 ( 1.160 -0.346 1.801) 2.170 6.753 ( -0.349 0.339 -0.146) 0.508 6.797 ( -1.739 -1.793 0.612) 2.572 6.889 ( -1.527 -0.045 1.584) 2.201 7.143 ( -1.089 -0.140 -2.812) 3.018 ======================= Grid point 69 (32/60) ======================= q-point: (-0.43 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.638 ( 0.442 -4.599 2.422) 5.217 0.914 ( -0.121 3.799 0.307) 3.813 1.040 ( 0.863 3.594 1.680) 4.060 1.137 ( 1.491 0.211 -4.670) 4.907 1.233 ( 1.300 -1.107 1.847) 2.515 1.295 ( 1.678 2.899 -1.500) 3.670 1.316 ( 2.301 -1.770 -0.942) 3.052 1.385 ( 2.851 1.272 -1.519) 3.472 1.430 ( 2.816 2.700 -1.430) 4.155 1.546 ( -2.106 1.630 0.644) 2.740 1.592 ( -1.591 -1.703 -3.149) 3.918 1.630 ( 0.751 -0.749 -0.853) 1.361 1.727 ( 0.527 -0.744 0.220) 0.937 1.801 ( 1.032 2.748 2.560) 3.895 1.854 ( -3.139 0.158 6.506) 7.225 1.938 ( -4.734 0.566 1.706) 5.064 2.017 ( -2.664 0.473 4.260) 5.046 2.026 ( -2.279 1.391 1.038) 2.864 2.216 ( -1.003 -0.715 1.338) 1.819 2.281 ( -2.537 0.129 0.605) 2.612 2.375 ( 0.940 0.287 -8.466) 8.523 2.418 ( 4.754 -0.216 -4.647) 6.652 2.460 ( -1.034 1.160 -5.909) 6.110 2.519 ( 0.920 -1.280 1.348) 2.074 2.615 ( 4.553 -3.895 -2.842) 6.632 2.788 ( -2.991 -0.048 -0.094) 2.993 2.896 ( 0.239 -1.838 4.699) 5.051 3.004 ( -3.360 3.829 4.117) 6.550 3.064 ( 5.661 1.006 3.237) 6.599 3.225 ( 1.349 0.258 0.215) 1.390 3.320 ( -0.382 1.290 0.883) 1.609 3.335 ( 0.789 -0.209 -1.501) 1.709 3.387 ( -0.484 -1.421 -1.050) 1.832 3.480 ( -4.341 -3.491 -2.143) 5.969 3.841 ( 4.393 5.339 1.364) 7.048 3.954 ( 1.573 0.010 2.927) 3.323 4.114 ( -1.379 3.540 -1.069) 3.947 4.177 ( 1.286 -0.377 -3.078) 3.357 4.825 ( 1.831 0.695 0.223) 1.971 4.920 ( -0.443 0.508 -0.097) 0.681 4.975 ( 2.081 0.147 1.362) 2.491 4.987 ( -1.424 -0.679 1.003) 1.870 5.176 ( 0.574 0.000 -3.742) 3.785 5.263 ( -0.395 -0.545 -2.718) 2.800 5.305 ( 2.331 -0.608 -0.554) 2.472 5.361 ( 0.194 -0.916 -0.461) 1.044 6.235 ( -0.717 0.642 2.311) 2.503 6.319 ( 0.618 -0.763 -0.980) 1.388 6.413 ( 1.840 0.868 1.485) 2.519 6.482 ( -0.784 -0.161 1.419) 1.629 6.747 ( 0.213 -0.046 0.309) 0.378 6.807 ( -1.694 -1.472 0.353) 2.272 6.888 ( -0.324 -0.446 1.592) 1.684 7.115 ( -1.955 -0.197 -3.027) 3.609 ======================= Grid point 70 (33/60) ======================= q-point: (-0.29 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.707 ( 1.461 0.234 2.781) 3.150 0.861 ( 1.749 3.110 0.535) 3.607 0.972 ( -0.464 4.348 0.652) 4.421 1.100 ( 0.471 3.454 -6.854) 7.689 1.217 ( 1.155 5.192 2.353) 5.816 1.303 ( -2.293 -2.398 0.096) 3.319 1.323 ( -2.526 1.061 0.720) 2.833 1.401 ( -0.308 0.492 -1.117) 1.259 1.429 ( 6.828 1.382 -0.733) 7.005 1.533 ( -0.018 -1.149 -0.240) 1.174 1.585 ( -1.217 -1.342 0.740) 1.957 1.663 ( 1.111 -1.076 -0.397) 1.597 1.743 ( -1.865 -1.768 -1.801) 3.138 1.752 ( -3.359 5.554 -1.398) 6.640 1.821 ( 0.617 1.549 6.854) 7.054 1.849 ( -1.576 -0.901 4.035) 4.424 2.020 ( -1.802 -1.994 2.724) 3.827 2.082 ( -0.942 -5.546 2.536) 6.171 2.222 ( -1.041 -0.545 -0.868) 1.461 2.231 ( 0.779 3.482 2.435) 4.320 2.315 ( 1.344 2.541 -6.698) 7.289 2.429 ( 0.409 -0.566 -5.857) 5.898 2.498 ( 3.208 -2.550 -3.580) 5.441 2.533 ( -0.480 -0.665 -2.842) 2.958 2.659 ( 0.538 -0.472 -0.581) 0.921 2.799 ( 0.340 -1.571 -2.599) 3.056 2.895 ( -1.225 1.977 5.168) 5.668 2.968 ( 0.654 1.732 2.679) 3.256 3.095 ( 1.207 2.101 6.482) 6.920 3.247 ( 0.546 0.761 0.154) 0.949 3.295 ( -0.247 1.598 1.312) 2.082 3.324 ( 0.458 0.385 -2.485) 2.556 3.432 ( -3.412 -4.961 -1.564) 6.221 3.487 ( 1.071 -2.972 -3.030) 4.377 3.786 ( 1.266 6.097 3.541) 7.164 3.951 ( -1.919 1.993 -0.049) 2.767 4.025 ( 0.210 3.539 0.762) 3.626 4.186 ( 1.666 0.063 -3.333) 3.727 4.829 ( 1.038 1.130 -0.069) 1.536 4.890 ( -0.539 2.154 -0.281) 2.238 4.979 ( -1.837 -0.166 1.473) 2.361 5.013 ( 1.907 -0.436 2.253) 2.984 5.161 ( -0.568 0.267 -3.512) 3.568 5.257 ( -0.541 -0.550 -3.017) 3.114 5.337 ( 1.742 -0.837 -2.578) 3.222 5.366 ( -0.485 -0.459 -2.181) 2.281 6.252 ( 0.521 -1.130 3.945) 4.137 6.330 ( 0.169 -0.004 -0.006) 0.170 6.431 ( 2.389 0.658 0.595) 2.548 6.459 ( -3.072 0.542 0.658) 3.188 6.775 ( 0.978 -1.371 1.504) 2.258 6.806 ( -0.616 -0.542 -0.057) 0.822 6.908 ( 0.455 -0.836 2.122) 2.326 7.082 ( -1.160 -0.280 -3.807) 3.990 ======================= Grid point 71 (34/60) ======================= q-point: (-0.14 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.676 ( 1.128 5.769 3.568) 6.877 0.802 ( -1.821 7.469 3.143) 8.305 0.954 ( 4.207 0.120 0.055) 4.209 0.988 ( 1.226 5.096 -8.177) 9.712 1.143 ( 0.519 4.285 2.983) 5.247 1.274 ( -4.657 0.156 -0.385) 4.675 1.294 ( 0.478 1.906 0.884) 2.155 1.393 ( -0.486 -1.764 -0.083) 1.832 1.484 ( 4.777 0.929 0.263) 4.873 1.511 ( -5.989 -0.169 -3.013) 6.707 1.602 ( -1.684 0.316 0.121) 1.718 1.651 ( 1.808 -0.294 0.785) 1.993 1.701 ( 1.268 -0.277 4.073) 4.275 1.784 ( 1.949 -1.866 -0.468) 2.739 1.840 ( -1.832 -1.597 4.172) 4.828 1.906 ( 2.844 -1.997 1.336) 3.723 2.032 ( -1.964 -1.116 1.646) 2.796 2.155 ( -1.878 0.038 1.451) 2.374 2.187 ( -1.583 -3.540 3.275) 5.076 2.233 ( 2.570 1.609 -3.279) 4.466 2.319 ( 3.673 -0.480 -0.808) 3.791 2.400 ( 1.798 3.268 -7.324) 8.220 2.506 ( -0.488 -0.061 -1.654) 1.726 2.556 ( -0.306 -3.549 -4.377) 5.644 2.689 ( -0.068 -0.570 1.923) 2.007 2.780 ( -1.384 -0.380 -2.833) 3.176 2.894 ( 1.527 1.317 3.034) 3.643 2.946 ( 1.445 2.232 -0.265) 2.672 3.100 ( -0.069 0.882 5.188) 5.263 3.205 ( -3.026 0.932 -0.414) 3.194 3.280 ( 1.891 1.677 1.299) 2.842 3.320 ( 1.509 0.599 -2.839) 3.270 3.435 ( -6.861 -4.640 -1.258) 8.378 3.523 ( -0.898 0.525 0.143) 1.050 3.749 ( 2.457 1.376 2.579) 3.818 3.886 ( -1.412 2.960 0.267) 3.290 3.980 ( 1.660 3.694 0.054) 4.050 4.196 ( 3.667 1.261 -3.567) 5.269 4.808 ( -1.225 1.510 -0.867) 2.129 4.839 ( 0.357 2.955 0.362) 2.999 4.962 ( -1.843 0.035 1.291) 2.250 5.034 ( -0.992 -0.032 2.053) 2.280 5.124 ( -0.732 0.675 -4.126) 4.245 5.244 ( 0.116 -0.146 -3.954) 3.958 5.354 ( 1.205 -0.287 -2.951) 3.200 5.359 ( 0.154 -0.120 -1.631) 1.642 6.305 ( -0.398 -2.430 3.862) 4.581 6.327 ( -0.230 0.155 0.851) 0.895 6.411 ( -3.108 0.312 1.023) 3.287 6.453 ( 1.744 0.099 -0.283) 1.770 6.780 ( -1.954 -0.713 0.361) 2.110 6.836 ( 2.112 -0.362 0.427) 2.185 6.926 ( -1.563 -0.608 1.856) 2.501 7.088 ( 3.511 -0.576 -2.838) 4.551 ======================= Grid point 75 (35/60) ======================= q-point: ( 0.43 0.43 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.529 ( 1.869 -0.000 5.730) 6.027 1.022 ( 2.737 -0.000 0.722) 2.831 1.078 ( -1.956 0.000 -1.091) 2.239 1.109 ( 3.770 -0.000 -3.712) 5.291 1.193 ( 1.091 -0.000 1.757) 2.068 1.347 ( 3.186 -0.000 -5.100) 6.013 1.369 ( -4.364 0.000 -0.261) 4.372 1.380 ( 1.388 -0.000 -2.707) 3.042 1.465 ( 1.270 -0.000 3.887) 4.089 1.499 ( 0.153 -0.000 -3.878) 3.882 1.599 ( -2.131 0.000 -1.563) 2.643 1.634 ( 1.402 -0.000 -2.896) 3.218 1.742 ( 2.845 -0.000 4.070) 4.966 1.784 ( -3.021 0.000 1.197) 3.250 1.894 ( -3.101 0.000 2.079) 3.734 1.974 ( 1.672 -0.000 7.990) 8.163 2.116 ( -3.901 0.000 3.764) 5.420 2.139 ( -1.904 0.000 4.413) 4.807 2.139 ( 1.988 -0.000 -4.663) 5.069 2.224 ( -0.528 0.000 0.354) 0.635 2.270 ( 5.021 -0.000 -3.952) 6.390 2.461 ( -1.891 0.000 -2.669) 3.271 2.491 ( 2.868 -0.000 -3.244) 4.330 2.531 ( 2.161 -0.000 -4.178) 4.704 2.542 ( 1.895 -0.000 -6.014) 6.305 2.778 ( -5.423 0.000 0.295) 5.431 2.827 ( 0.928 -0.000 5.673) 5.749 3.067 ( 7.919 -0.000 0.706) 7.950 3.140 ( -6.123 0.000 6.967) 9.275 3.267 ( -2.872 0.000 1.311) 3.157 3.274 ( -0.680 0.000 -3.080) 3.154 3.307 ( -0.321 0.000 -4.313) 4.325 3.369 ( -1.433 0.000 1.155) 1.841 3.431 ( 0.147 -0.000 0.911) 0.922 3.897 ( 1.301 -0.000 4.158) 4.357 3.995 ( 4.424 -0.000 -1.057) 4.548 4.172 ( 2.508 -0.000 -1.433) 2.888 4.181 ( 1.617 -0.000 -1.662) 2.319 4.834 ( 0.859 -0.000 0.625) 1.062 4.931 ( 0.558 -0.000 -1.679) 1.769 4.951 ( -2.333 0.000 3.417) 4.138 4.986 ( 1.214 -0.000 0.641) 1.373 5.175 ( 0.870 -0.000 -3.927) 4.022 5.238 ( -0.124 0.000 -4.818) 4.820 5.322 ( -0.793 0.000 1.001) 1.277 5.331 ( 1.279 -0.000 0.833) 1.526 6.274 ( -2.416 0.000 1.960) 3.111 6.281 ( 1.091 -0.000 -1.954) 2.238 6.419 ( 0.123 -0.000 3.120) 3.122 6.492 ( 0.755 -0.000 1.158) 1.383 6.753 ( -0.110 0.000 -0.001) 0.110 6.770 ( -0.359 0.000 0.137) 0.384 6.876 ( -1.463 0.000 2.390) 2.802 7.118 ( -0.671 0.000 -3.925) 3.982 ======================= Grid point 76 (36/60) ======================= q-point: (-0.43 -0.57 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.631 ( 4.790 -2.462 8.044) 9.681 0.968 ( -1.436 3.753 -2.447) 4.705 1.068 ( -1.276 -1.014 -0.545) 1.719 1.147 ( 0.921 -0.546 -3.132) 3.310 1.219 ( -0.030 -0.555 0.626) 0.837 1.299 ( -1.278 0.996 1.211) 2.023 1.339 ( 0.868 1.037 -3.846) 4.077 1.431 ( 1.637 -2.595 -4.179) 5.185 1.446 ( 2.849 2.458 -0.137) 3.765 1.533 ( -3.464 0.663 1.367) 3.782 1.561 ( 0.734 -0.975 -0.408) 1.287 1.639 ( 2.106 -0.292 -4.797) 5.247 1.745 ( -2.018 0.868 2.867) 3.612 1.795 ( 1.190 -0.856 2.001) 2.480 1.887 ( -3.119 -1.645 5.074) 6.179 1.940 ( -3.022 5.596 2.914) 6.995 2.047 ( 1.892 4.280 1.859) 5.035 2.074 ( -3.274 5.613 4.973) 8.182 2.196 ( 1.008 -2.832 -0.942) 3.150 2.205 ( -4.173 -2.584 0.996) 5.009 2.321 ( 1.454 -2.775 -7.559) 8.182 2.428 ( -0.827 -0.696 -4.961) 5.077 2.483 ( 1.521 1.354 -2.834) 3.490 2.531 ( -0.175 1.299 -5.119) 5.284 2.627 ( 9.708 -1.218 -0.744) 9.813 2.721 ( -4.824 -2.526 -1.103) 5.556 2.897 ( 2.463 -1.900 7.284) 7.921 3.051 ( -4.654 3.297 5.908) 8.212 3.168 ( 5.520 0.472 3.262) 6.429 3.241 ( 0.129 -0.246 -0.028) 0.279 3.262 ( -3.191 -1.543 -3.415) 4.922 3.327 ( 1.776 -1.538 -1.808) 2.965 3.352 ( -1.397 0.585 0.709) 1.672 3.423 ( -0.902 -0.158 -1.168) 1.484 3.921 ( -1.305 -0.521 3.705) 3.963 4.006 ( 1.928 3.370 0.960) 4.000 4.158 ( -0.186 2.944 -1.620) 3.366 4.179 ( 0.495 -0.016 -2.662) 2.708 4.849 ( 1.015 -0.064 0.388) 1.089 4.922 ( -0.433 0.452 0.634) 0.891 4.954 ( -1.207 -1.236 1.023) 2.008 5.002 ( 0.807 -0.213 1.384) 1.617 5.170 ( 0.832 0.368 -3.752) 3.860 5.224 ( -0.562 -1.261 -4.877) 5.069 5.316 ( -0.007 0.069 0.989) 0.991 5.350 ( 0.285 -0.489 -0.096) 0.575 6.246 ( -1.033 0.532 1.764) 2.112 6.308 ( 1.556 -1.053 -1.342) 2.309 6.438 ( 0.370 -0.195 3.622) 3.646 6.487 ( -1.004 0.807 0.633) 1.435 6.753 ( 0.321 0.115 0.613) 0.702 6.776 ( 0.043 -0.819 -0.363) 0.897 6.880 ( -0.333 -0.696 2.773) 2.878 7.093 ( 0.090 0.506 -4.435) 4.464 ======================= Grid point 77 (37/60) ======================= q-point: (-0.29 -0.57 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( 4.894 -0.742 4.773) 6.876 0.904 ( -0.251 0.414 -1.842) 1.905 1.032 ( -2.664 3.574 -0.206) 4.462 1.126 ( -2.233 0.136 -2.906) 3.667 1.199 ( -2.409 -0.444 -1.620) 2.937 1.305 ( 0.660 2.473 1.274) 2.859 1.318 ( -0.191 -0.070 -0.289) 0.353 1.411 ( -1.725 1.960 -2.194) 3.410 1.455 ( 0.165 0.114 1.921) 1.931 1.503 ( 0.340 -1.537 -4.696) 4.953 1.599 ( 1.942 -0.998 1.133) 2.460 1.660 ( 1.527 -1.636 -5.043) 5.517 1.670 ( -7.804 4.004 4.691) 9.946 1.818 ( 0.291 2.000 0.747) 2.155 1.848 ( 1.987 -1.249 1.096) 2.590 1.884 ( -1.464 1.051 5.279) 5.578 2.002 ( -2.406 1.047 6.213) 6.744 2.046 ( 4.719 1.642 1.763) 5.299 2.203 ( -1.544 -0.817 1.277) 2.164 2.258 ( 0.504 -3.153 -1.875) 3.703 2.335 ( 1.275 0.148 -5.716) 5.858 2.399 ( 0.336 -0.658 -5.309) 5.360 2.472 ( -2.083 0.759 -4.596) 5.103 2.514 ( 2.967 -1.526 -1.995) 3.887 2.693 ( 2.176 1.628 2.147) 3.464 2.745 ( 0.470 -2.206 -3.274) 3.976 2.959 ( 1.336 2.239 6.009) 6.550 3.011 ( 0.220 0.096 4.396) 4.403 3.173 ( -0.265 2.584 4.408) 5.116 3.215 ( -6.038 -2.427 -2.516) 6.977 3.287 ( 0.223 -0.053 -0.804) 0.836 3.320 ( -0.795 0.062 -0.823) 1.146 3.344 ( 0.295 0.622 -0.116) 0.698 3.466 ( 4.696 -3.308 -2.513) 6.270 3.866 ( -5.381 3.864 1.542) 6.802 3.954 ( -2.538 2.315 2.608) 4.313 4.109 ( 3.077 3.655 -0.847) 4.853 4.180 ( 0.258 -1.460 -3.158) 3.489 4.850 ( -0.146 0.911 0.015) 0.922 4.910 ( -0.752 0.681 1.063) 1.470 4.960 ( -0.721 -0.348 0.121) 0.809 5.027 ( 0.043 -0.766 2.574) 2.686 5.142 ( -1.120 0.775 -4.485) 4.687 5.222 ( -0.136 -1.052 -3.617) 3.769 5.327 ( 0.144 -0.753 0.063) 0.769 5.354 ( 0.174 -0.050 -0.576) 0.604 6.247 ( -0.783 -0.905 2.087) 2.406 6.330 ( 0.904 -0.088 -0.957) 1.320 6.439 ( -2.773 1.024 1.230) 3.202 6.464 ( 0.540 0.388 1.627) 1.758 6.759 ( -0.540 -0.286 0.416) 0.739 6.806 ( 2.032 -1.431 0.293) 2.502 6.908 ( 0.516 -0.685 2.840) 2.967 7.077 ( 2.075 0.323 -4.210) 4.705 ======================= Grid point 78 (38/60) ======================= q-point: (-0.14 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( 1.217 3.477 1.638) 4.031 0.882 ( -7.102 4.728 1.284) 8.628 0.964 ( 4.634 -3.389 -1.556) 5.948 1.047 ( -2.364 3.452 -4.442) 6.102 1.180 ( -1.868 0.154 -0.129) 1.879 1.238 ( 1.185 3.202 -2.044) 3.980 1.335 ( 0.652 -0.094 2.177) 2.274 1.379 ( -3.712 -1.929 -1.511) 4.447 1.421 ( -1.128 2.626 -1.475) 3.216 1.524 ( 1.076 -0.829 0.422) 1.423 1.560 ( -4.524 -0.097 0.779) 4.592 1.648 ( 0.897 -1.675 0.525) 1.971 1.699 ( 1.125 -1.292 2.143) 2.744 1.790 ( -1.264 1.221 -0.126) 1.761 1.896 ( 3.992 0.424 2.770) 4.877 1.924 ( 2.226 -1.587 3.597) 4.518 1.998 ( -0.822 -0.016 3.639) 3.731 2.115 ( 2.777 -2.349 2.836) 4.612 2.176 ( -1.586 1.441 0.120) 2.146 2.294 ( 1.595 -0.619 -3.278) 3.698 2.346 ( 2.240 -0.939 -2.098) 3.210 2.421 ( -0.046 -2.488 -5.729) 6.246 2.440 ( 1.028 -0.805 -2.724) 3.021 2.543 ( 1.981 1.708 -1.349) 2.944 2.690 ( -0.874 0.631 1.874) 2.162 2.743 ( -0.121 -0.125 -2.478) 2.484 2.947 ( -0.543 2.054 2.927) 3.617 3.009 ( 1.697 3.044 0.621) 3.540 3.148 ( -0.136 1.439 2.642) 3.011 3.174 ( -4.310 -0.959 -0.138) 4.418 3.250 ( -5.024 -1.696 -0.064) 5.303 3.318 ( -0.175 -0.362 -1.569) 1.620 3.351 ( 1.883 0.560 -0.297) 1.987 3.530 ( 0.163 0.895 -0.183) 0.928 3.772 ( -0.816 0.181 -0.000) 0.836 3.891 ( -4.113 1.367 2.693) 5.102 4.090 ( 4.120 3.716 -0.841) 5.612 4.211 ( 1.339 -1.935 -3.185) 3.960 4.815 ( -1.664 1.821 -0.731) 2.573 4.878 ( -1.151 1.862 0.567) 2.262 4.951 ( -1.184 0.082 1.343) 1.792 5.023 ( -1.490 0.427 0.327) 1.584 5.114 ( 0.394 -0.219 -2.468) 2.509 5.227 ( 0.487 -0.561 -2.084) 2.213 5.337 ( -0.334 -0.737 -1.529) 1.730 5.358 ( 0.606 -0.032 -0.239) 0.652 6.267 ( -1.612 -2.059 1.968) 3.272 6.327 ( 0.076 0.521 -0.601) 0.799 6.389 ( -2.642 0.713 0.723) 2.830 6.473 ( 0.576 0.360 1.285) 1.454 6.756 ( -0.398 -0.270 -0.254) 0.544 6.849 ( 1.076 -0.725 0.293) 1.330 6.914 ( -0.750 0.790 0.650) 1.268 7.123 ( 4.946 -1.298 -1.048) 5.219 ======================= Grid point 83 (39/60) ======================= q-point: (-0.43 -0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.723 ( 6.035 -0.000 9.988) 11.670 0.977 ( -4.443 0.000 -1.633) 4.734 1.004 ( -0.465 0.000 -4.890) 4.912 1.062 ( -7.814 0.000 -5.014) 9.284 1.247 ( 2.223 -0.000 3.289) 3.970 1.326 ( -0.411 0.000 3.010) 3.038 1.357 ( 3.225 -0.000 -7.389) 8.062 1.375 ( -0.662 0.000 -3.554) 3.615 1.518 ( 1.064 -0.000 -2.213) 2.455 1.534 ( -0.154 0.000 3.523) 3.526 1.539 ( 0.061 -0.000 1.335) 1.336 1.645 ( 3.140 -0.000 -4.831) 5.762 1.725 ( -2.122 0.000 3.153) 3.800 1.804 ( -1.006 0.000 1.650) 1.933 1.867 ( -1.273 0.000 5.922) 6.057 1.972 ( -4.991 0.000 2.117) 5.421 2.027 ( -8.458 0.000 -5.884) 10.304 2.123 ( -1.687 0.000 6.663) 6.873 2.177 ( 2.886 -0.000 6.349) 6.974 2.199 ( 1.132 -0.000 1.994) 2.292 2.284 ( 1.917 -0.000 -7.235) 7.485 2.368 ( -1.240 0.000 -4.761) 4.920 2.510 ( -1.196 0.000 -3.700) 3.888 2.530 ( 3.118 -0.000 -3.121) 4.411 2.612 ( -2.241 0.000 -5.577) 6.011 2.759 ( 8.868 -0.000 1.852) 9.060 2.958 ( 4.208 -0.000 6.021) 7.346 3.026 ( -4.605 0.000 5.774) 7.385 3.163 ( -2.086 0.000 -4.442) 4.907 3.224 ( -1.969 0.000 0.152) 1.975 3.289 ( 2.940 -0.000 -0.702) 3.022 3.332 ( 1.329 -0.000 0.268) 1.356 3.374 ( 4.276 -0.000 1.526) 4.540 3.392 ( -2.884 0.000 -0.633) 2.952 3.891 ( -4.536 0.000 2.926) 5.398 4.060 ( 0.354 -0.000 1.694) 1.731 4.147 ( -2.454 0.000 -3.689) 4.431 4.173 ( -1.560 0.000 -0.888) 1.795 4.863 ( 1.283 -0.000 0.095) 1.287 4.922 ( -2.235 0.000 3.825) 4.430 4.938 ( 1.272 -0.000 -2.021) 2.388 5.004 ( -0.443 0.000 1.485) 1.550 5.174 ( -1.727 0.000 -4.914) 5.208 5.183 ( 2.023 -0.000 -3.183) 3.771 5.318 ( -0.108 0.000 0.762) 0.769 5.353 ( 0.660 -0.000 0.007) 0.660 6.235 ( -1.631 0.000 0.654) 1.758 6.326 ( 2.698 -0.000 -0.728) 2.794 6.458 ( 0.355 -0.000 4.131) 4.146 6.474 ( -2.453 0.000 0.184) 2.460 6.764 ( 0.753 -0.000 0.476) 0.891 6.769 ( 0.292 -0.000 -0.582) 0.651 6.890 ( 0.947 -0.000 3.802) 3.918 7.090 ( 1.689 -0.000 -5.069) 5.343 ======================= Grid point 84 (40/60) ======================= q-point: (-0.29 -0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.821 ( 0.796 -1.344 6.759) 6.938 0.882 ( -1.265 2.790 -4.621) 5.544 0.940 ( -9.947 -2.910 -7.593) 12.848 1.033 ( -2.955 -2.410 5.072) 6.346 1.265 ( 1.200 2.944 -4.502) 5.511 1.294 ( -0.466 0.066 -0.896) 1.012 1.337 ( -0.211 0.354 1.013) 1.094 1.402 ( -2.321 -0.684 0.518) 2.474 1.461 ( -1.044 2.389 -1.765) 3.149 1.522 ( 2.705 2.222 0.018) 3.501 1.591 ( 2.043 -1.638 -0.641) 2.696 1.663 ( -0.713 2.614 -1.585) 3.139 1.674 ( -3.877 3.336 2.823) 5.842 1.806 ( -1.469 -1.966 1.785) 3.035 1.842 ( 0.692 -1.388 -0.024) 1.551 1.893 ( 1.175 -0.188 3.097) 3.318 2.041 ( -8.392 -8.510 -2.007) 12.120 2.075 ( -2.281 3.987 6.850) 8.248 2.201 ( 5.981 4.537 4.442) 8.723 2.220 ( -0.186 -0.043 -0.628) 0.657 2.323 ( 2.073 -2.810 -3.297) 4.802 2.359 ( 1.020 -0.085 -3.527) 3.673 2.484 ( -1.690 -1.935 -0.436) 2.606 2.515 ( 3.421 3.037 -4.007) 6.081 2.652 ( 2.198 -3.453 -5.553) 6.899 2.818 ( 2.172 2.067 1.733) 3.463 2.971 ( -3.049 -1.191 4.999) 5.976 3.072 ( 4.507 1.586 2.128) 5.230 3.129 ( 0.082 -0.434 -2.812) 2.846 3.177 ( -4.139 0.910 -1.329) 4.442 3.301 ( -0.435 -0.555 -0.881) 1.129 3.324 ( -1.614 3.111 0.976) 3.639 3.351 ( 0.076 -0.788 1.835) 1.998 3.482 ( 6.531 -2.227 -0.587) 6.926 3.822 ( -7.005 0.860 1.227) 7.164 3.995 ( -3.754 5.293 2.469) 6.943 4.110 ( -3.676 -1.929 -3.863) 5.671 4.164 ( 0.736 -1.038 -0.511) 1.371 4.861 ( -0.808 0.942 0.253) 1.267 4.916 ( -0.179 0.536 2.327) 2.394 4.948 ( 0.181 -0.263 -2.079) 2.103 5.014 ( -0.780 -1.016 2.405) 2.725 5.121 ( -1.918 0.780 -4.122) 4.613 5.204 ( 1.707 -0.699 -2.509) 3.114 5.321 ( 0.056 -0.122 -0.032) 0.138 5.361 ( 0.908 0.103 -0.231) 0.943 6.223 ( -1.408 -0.595 0.569) 1.631 6.350 ( 1.823 0.526 -0.305) 1.922 6.425 ( -3.313 1.201 0.466) 3.554 6.477 ( -0.057 -0.184 2.410) 2.417 6.760 ( 0.218 0.519 -0.196) 0.596 6.801 ( 1.345 -1.810 0.360) 2.284 6.930 ( 2.104 -0.122 3.820) 4.363 7.098 ( 3.432 0.085 -4.712) 5.830 ======================= Grid point 85 (41/60) ======================= q-point: (-0.14 -0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.773 ( -11.210 0.386 3.590) 11.777 0.832 ( -5.019 -2.719 -11.859) 13.161 0.879 ( -2.272 -1.975 3.408) 4.547 1.035 ( -1.834 0.495 5.591) 5.905 1.215 ( -2.002 -1.566 -7.457) 7.878 1.265 ( 2.029 3.128 -0.210) 3.734 1.329 ( -1.217 1.790 -2.160) 3.057 1.367 ( 1.743 1.746 0.790) 2.591 1.436 ( -2.758 -0.477 2.805) 3.962 1.520 ( -0.169 0.780 1.224) 1.461 1.543 ( -0.154 1.713 1.406) 2.221 1.630 ( 1.935 -0.597 -2.637) 3.325 1.708 ( 2.821 -1.131 -0.191) 3.045 1.813 ( -1.549 1.461 2.732) 3.464 1.913 ( 1.057 -2.841 0.841) 3.146 1.931 ( 2.170 0.374 2.743) 3.518 2.048 ( 1.502 1.306 4.869) 5.260 2.064 ( -9.815 -9.537 0.941) 13.718 2.195 ( 0.730 2.575 1.594) 3.115 2.225 ( 4.341 1.795 -0.044) 4.697 2.334 ( -0.163 -1.198 -4.772) 4.922 2.416 ( 4.744 -0.827 -0.405) 4.833 2.486 ( 1.996 1.886 -4.622) 5.376 2.520 ( -0.859 -2.949 0.146) 3.075 2.690 ( 2.337 -0.077 -3.889) 4.538 2.799 ( 1.032 1.985 1.977) 2.985 2.959 ( -3.017 1.898 0.369) 3.583 3.055 ( -3.436 -1.385 -2.708) 4.589 3.083 ( -3.791 2.022 0.657) 4.346 3.161 ( 3.550 1.254 0.433) 3.790 3.273 ( 0.370 2.684 2.742) 3.855 3.300 ( -0.710 -0.544 -0.510) 1.029 3.368 ( 0.553 -0.148 0.024) 0.573 3.549 ( -0.005 1.097 -0.092) 1.101 3.746 ( -1.964 -1.173 0.022) 2.288 3.879 ( -3.977 2.598 2.298) 5.277 4.092 ( -4.281 -3.112 -2.258) 5.754 4.200 ( 2.466 -0.798 -2.038) 3.297 4.817 ( -2.377 1.895 -0.579) 3.095 4.891 ( -1.359 1.499 -0.104) 2.026 4.940 ( -0.620 -0.146 1.781) 1.891 5.018 ( -0.582 0.120 0.109) 0.604 5.104 ( 0.880 -0.976 -1.832) 2.254 5.225 ( 1.479 -0.328 -1.369) 2.042 5.321 ( 0.024 -0.170 -1.810) 1.818 5.372 ( 1.316 0.179 -0.271) 1.355 6.223 ( -1.544 -1.142 0.821) 2.089 6.350 ( 1.029 1.344 0.048) 1.693 6.371 ( -2.701 0.677 0.515) 2.832 6.487 ( 0.113 -0.142 1.420) 1.432 6.755 ( 0.367 0.280 -0.356) 0.583 6.842 ( 0.517 -1.255 0.277) 1.385 6.942 ( 0.714 2.269 0.688) 2.476 7.152 ( 4.421 -1.606 -1.183) 4.850 ======================= Grid point 91 (42/60) ======================= q-point: (-0.29 -0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.722 ( -12.425 0.000 -9.496) 15.639 0.764 ( -9.085 0.000 4.457) 10.120 0.962 ( 3.317 -0.000 0.999) 3.464 0.969 ( -4.471 0.000 5.183) 6.845 1.230 ( -4.657 0.000 -8.506) 9.697 1.267 ( -5.829 0.000 -0.749) 5.877 1.339 ( 2.795 -0.000 1.640) 3.240 1.386 ( -2.152 0.000 1.282) 2.505 1.510 ( 1.570 -0.000 -0.007) 1.570 1.533 ( 0.234 -0.000 -0.457) 0.514 1.633 ( 3.888 -0.000 2.128) 4.432 1.699 ( 2.880 -0.000 -4.538) 5.374 1.707 ( -9.032 0.000 2.340) 9.330 1.716 ( -4.586 0.000 3.669) 5.873 1.827 ( 1.042 -0.000 -1.287) 1.656 1.833 ( 0.426 -0.000 0.222) 0.480 1.938 ( 2.400 -0.000 1.317) 2.738 2.124 ( -1.319 0.000 6.300) 6.437 2.214 ( -0.554 0.000 -1.079) 1.213 2.296 ( 2.057 -0.000 -3.586) 4.134 2.347 ( 4.726 -0.000 6.968) 8.419 2.388 ( 4.624 -0.000 -0.467) 4.647 2.422 ( -3.468 0.000 -0.932) 3.591 2.573 ( 1.783 -0.000 -3.050) 3.533 2.651 ( 6.429 -0.000 -5.196) 8.266 2.806 ( -3.751 0.000 -3.191) 4.925 2.985 ( 1.061 -0.000 6.692) 6.776 3.054 ( -2.206 0.000 -8.040) 8.337 3.095 ( -6.295 0.000 -2.319) 6.709 3.231 ( 6.824 -0.000 3.179) 7.528 3.284 ( -1.066 0.000 0.120) 1.073 3.340 ( -0.186 0.000 1.224) 1.238 3.341 ( -1.276 0.000 2.307) 2.636 3.540 ( 5.626 -0.000 -1.032) 5.720 3.743 ( -7.839 0.000 1.786) 8.040 3.998 ( -5.100 0.000 -1.091) 5.215 4.073 ( -1.045 0.000 -1.879) 2.150 4.085 ( -4.830 0.000 -0.003) 4.830 4.854 ( -2.080 0.000 1.212) 2.407 4.938 ( -0.049 0.000 -4.006) 4.006 4.943 ( 1.476 -0.000 1.696) 2.249 5.008 ( 0.114 -0.000 2.204) 2.207 5.082 ( -2.944 0.000 -2.435) 3.820 5.213 ( 1.894 -0.000 -2.381) 3.042 5.318 ( -0.352 0.000 -1.118) 1.172 5.372 ( 0.877 -0.000 -0.603) 1.065 6.206 ( -0.996 0.000 0.920) 1.355 6.378 ( 1.422 -0.000 0.780) 1.622 6.395 ( -3.521 0.000 0.345) 3.538 6.475 ( -1.012 0.000 1.185) 1.558 6.781 ( 1.072 -0.000 -0.647) 1.252 6.790 ( 0.679 -0.000 1.081) 1.276 6.984 ( 3.556 -0.000 4.244) 5.537 7.125 ( 4.395 -0.000 -5.826) 7.298 ======================= Grid point 92 (43/60) ======================= q-point: (-0.14 -0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.578 ( -11.994 -5.588 -5.891) 14.484 0.643 ( -13.067 0.477 5.368) 14.134 0.883 ( -5.058 1.478 5.629) 7.711 1.019 ( -1.944 -1.942 2.046) 3.426 1.114 ( -4.605 -0.489 -9.206) 10.305 1.235 ( -6.146 -3.967 1.877) 7.551 1.336 ( 1.739 1.362 -2.708) 3.495 1.402 ( 1.438 -0.769 -0.387) 1.676 1.487 ( 0.684 3.347 -0.544) 3.459 1.514 ( -2.124 1.420 5.473) 6.040 1.600 ( 1.651 1.337 -1.325) 2.504 1.675 ( 3.110 1.935 -0.891) 3.770 1.723 ( -4.429 -3.652 -0.047) 5.741 1.754 ( -0.306 -3.058 -0.314) 3.089 1.839 ( 1.654 1.095 2.313) 3.047 1.917 ( 2.724 -3.980 1.658) 5.100 1.981 ( 3.714 -0.417 0.375) 3.756 2.114 ( -0.053 2.309 6.204) 6.620 2.201 ( -0.442 -0.280 -2.012) 2.079 2.308 ( 1.566 0.285 -2.817) 3.236 2.362 ( 1.841 3.384 2.965) 4.861 2.408 ( -1.658 -1.541 0.850) 2.418 2.471 ( 3.773 -1.236 0.767) 4.043 2.557 ( 2.370 1.919 -3.054) 4.316 2.711 ( 2.733 -0.089 -3.973) 4.823 2.774 ( -0.682 -2.981 -3.661) 4.770 2.940 ( -6.057 2.093 -3.390) 7.250 2.993 ( -2.901 -0.095 -6.363) 6.994 3.063 ( -0.427 0.331 5.834) 5.859 3.252 ( 0.214 2.795 2.332) 3.647 3.277 ( -0.792 -0.532 0.118) 0.961 3.318 ( -0.720 1.087 1.290) 1.834 3.387 ( 3.898 -0.397 1.524) 4.204 3.565 ( -0.996 2.156 -0.966) 2.564 3.686 ( -2.700 -2.902 1.087) 4.110 3.903 ( -4.532 5.587 1.694) 7.391 3.964 ( -4.546 -2.461 -3.682) 6.346 4.152 ( -1.004 -5.229 -1.885) 5.648 4.817 ( -2.414 1.730 -0.155) 2.974 4.885 ( -2.693 1.537 -1.621) 3.499 4.961 ( 1.586 0.562 0.905) 1.911 5.014 ( -0.612 0.253 0.730) 0.986 5.079 ( 0.752 -2.810 -1.437) 3.244 5.231 ( 1.499 -0.896 -2.382) 2.954 5.304 ( -0.764 -0.417 -2.953) 3.079 5.382 ( 0.873 -0.410 -1.026) 1.408 6.207 ( -0.129 -0.139 2.560) 2.567 6.349 ( -2.851 0.588 0.846) 3.031 6.388 ( 0.897 0.980 1.480) 1.989 6.474 ( -0.820 -1.209 0.002) 1.461 6.773 ( 0.904 1.060 0.030) 1.394 6.825 ( 0.319 -1.532 0.400) 1.615 7.011 ( 2.078 3.403 0.806) 4.068 7.170 ( 3.990 -1.352 -3.716) 5.617 ======================= Grid point 99 (44/60) ======================= q-point: (-0.14 -0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.368 ( -10.809 0.000 5.022) 11.918 0.508 ( -14.360 0.000 7.614) 16.254 0.784 ( -18.439 0.000 16.892) 25.007 0.968 ( -0.347 0.000 -5.951) 5.961 1.019 ( -1.695 0.000 -10.627) 10.761 1.141 ( -3.754 0.000 2.019) 4.263 1.347 ( 0.933 -0.000 -6.249) 6.318 1.410 ( 1.681 -0.000 2.573) 3.074 1.483 ( -2.825 0.000 -1.519) 3.208 1.510 ( -4.919 0.000 6.076) 7.818 1.614 ( 2.645 -0.000 -0.221) 2.654 1.668 ( 1.476 -0.000 0.728) 1.646 1.744 ( 2.551 -0.000 1.455) 2.937 1.791 ( 4.737 -0.000 -3.256) 5.748 1.897 ( 3.057 -0.000 1.544) 3.425 1.927 ( 3.457 -0.000 2.517) 4.276 2.014 ( 2.709 -0.000 -1.116) 2.930 2.164 ( 0.557 -0.000 6.131) 6.157 2.174 ( -1.128 0.000 -1.952) 2.255 2.309 ( -3.956 0.000 -1.646) 4.285 2.352 ( 3.574 -0.000 -2.977) 4.651 2.459 ( -1.136 0.000 -0.538) 1.257 2.490 ( 1.280 -0.000 5.649) 5.792 2.583 ( 1.150 -0.000 -1.902) 2.223 2.674 ( -2.029 0.000 -5.194) 5.576 2.772 ( 5.440 -0.000 -3.359) 6.393 2.876 ( -4.497 0.000 -1.867) 4.869 2.916 ( -3.576 0.000 -9.376) 10.035 3.104 ( 0.236 -0.000 6.304) 6.308 3.262 ( -0.680 0.000 0.163) 0.699 3.273 ( -1.203 0.000 1.572) 1.980 3.319 ( -1.672 0.000 3.724) 4.083 3.425 ( 1.120 -0.000 0.951) 1.470 3.599 ( -3.026 0.000 2.787) 4.114 3.604 ( 1.359 -0.000 -2.818) 3.129 3.886 ( -2.116 0.000 -2.836) 3.538 3.966 ( -4.184 0.000 0.269) 4.192 4.000 ( -4.280 0.000 -4.657) 6.325 4.808 ( -2.101 0.000 0.615) 2.189 4.857 ( -3.591 0.000 -6.978) 7.848 4.969 ( -0.347 0.000 -0.956) 1.017 5.021 ( -1.043 0.000 2.105) 2.349 5.027 ( -0.539 0.000 0.965) 1.105 5.194 ( -2.178 0.000 -5.982) 6.367 5.285 ( -0.210 0.000 0.024) 0.211 5.381 ( 0.479 -0.000 -1.126) 1.224 6.244 ( 3.546 -0.000 5.952) 6.929 6.328 ( -2.008 0.000 1.953) 2.801 6.407 ( -0.612 0.000 2.642) 2.712 6.446 ( -0.571 0.000 -0.944) 1.104 6.804 ( 1.129 -0.000 -0.510) 1.239 6.808 ( -0.067 0.000 1.237) 1.239 7.090 ( 2.318 -0.000 1.039) 2.540 7.165 ( 1.355 -0.000 -9.594) 9.690 ======================= Grid point 100 (45/60) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.583 ( -0.507 0.000 -2.698) 2.745 0.583 ( 0.507 -0.000 2.698) 2.745 0.747 ( -0.412 0.000 -2.321) 2.358 0.747 ( 0.412 -0.000 2.321) 2.358 1.169 ( -1.654 0.000 0.143) 1.660 1.169 ( 1.654 -0.000 -0.143) 1.660 1.278 ( -3.746 0.000 -11.645) 12.233 1.278 ( 3.746 -0.000 11.645) 12.233 1.500 ( 2.262 -0.000 -3.831) 4.449 1.500 ( -2.262 0.000 3.831) 4.449 1.647 ( 1.063 -0.000 -4.323) 4.452 1.647 ( -1.063 0.000 4.323) 4.452 1.784 ( 1.712 -0.000 -0.860) 1.916 1.784 ( -1.712 0.000 0.860) 1.916 2.005 ( 2.323 -0.000 -2.672) 3.541 2.005 ( -2.323 0.000 2.672) 3.541 2.059 ( -2.492 0.000 -2.872) 3.803 2.059 ( 2.492 -0.000 2.872) 3.803 2.180 ( -1.706 0.000 -0.833) 1.899 2.180 ( 1.706 -0.000 0.833) 1.899 2.364 ( 0.398 -0.000 -5.486) 5.500 2.364 ( -0.398 0.000 5.486) 5.500 2.587 ( 3.045 -0.000 -4.099) 5.106 2.587 ( -3.045 0.000 4.099) 5.106 2.757 ( 2.432 -0.000 -5.927) 6.407 2.757 ( -2.432 0.000 5.927) 6.407 2.826 ( 0.614 -0.000 -0.426) 0.747 2.826 ( -0.614 0.000 0.426) 0.747 3.175 ( 1.411 -0.000 -3.494) 3.769 3.175 ( -1.411 0.000 3.494) 3.769 3.340 ( 0.204 -0.000 -1.868) 1.879 3.340 ( -0.204 0.000 1.868) 1.879 3.483 ( -2.029 0.000 -3.750) 4.264 3.483 ( 2.029 -0.000 3.750) 4.264 3.727 ( -1.205 0.000 -5.270) 5.406 3.727 ( 1.205 -0.000 5.270) 5.406 3.876 ( -1.841 0.000 -2.033) 2.743 3.876 ( 1.841 -0.000 2.033) 2.743 4.763 ( -1.419 0.000 -0.147) 1.427 4.763 ( 1.419 -0.000 0.147) 1.427 4.958 ( -0.998 0.000 -0.752) 1.250 4.958 ( 0.998 -0.000 0.752) 1.250 5.097 ( 1.150 -0.000 -3.089) 3.296 5.097 ( -1.150 0.000 3.089) 3.296 5.340 ( -0.308 0.000 -1.792) 1.818 5.340 ( 0.308 -0.000 1.792) 1.818 6.357 ( -0.192 0.000 -2.492) 2.500 6.357 ( 0.192 -0.000 2.492) 2.500 6.495 ( 3.405 -0.000 -3.179) 4.658 6.495 ( -3.405 0.000 3.179) 4.658 6.823 ( 0.961 -0.000 -0.427) 1.052 6.823 ( -0.961 0.000 0.427) 1.052 7.016 ( -1.024 0.000 -3.640) 3.782 7.016 ( 1.024 -0.000 3.640) 3.782 ======================= Grid point 102 (46/60) ======================= q-point: ( 0.14 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.631 ( 4.353 -3.315 -5.300) 7.618 0.683 ( -2.404 -0.306 -9.641) 9.941 0.709 ( 3.810 -3.712 9.340) 10.749 0.808 ( 2.689 -4.614 3.692) 6.492 1.125 ( 1.452 1.161 -10.175) 10.343 1.204 ( 2.051 -1.143 4.181) 4.795 1.260 ( -0.897 -3.063 -6.043) 6.834 1.404 ( 4.013 -2.170 3.888) 5.994 1.494 ( -1.068 0.695 2.176) 2.522 1.507 ( 0.558 -0.765 -0.478) 1.060 1.605 ( -0.968 3.048 0.807) 3.298 1.642 ( 1.933 0.207 1.329) 2.355 1.759 ( -2.472 0.550 -0.977) 2.714 1.800 ( -0.249 -0.656 0.240) 0.742 1.973 ( -2.092 0.715 1.880) 2.902 1.998 ( -1.722 0.127 -4.472) 4.794 2.020 ( 0.085 0.828 1.236) 1.490 2.098 ( 1.403 -0.112 2.989) 3.304 2.173 ( -0.731 -0.560 0.961) 1.330 2.225 ( 2.113 -1.507 2.925) 3.911 2.340 ( -0.222 0.908 -5.932) 6.005 2.386 ( 0.228 -0.053 4.641) 4.647 2.544 ( -3.292 1.325 3.352) 4.882 2.575 ( 1.022 2.453 -2.914) 3.944 2.737 ( -0.648 1.261 -7.092) 7.233 2.746 ( -3.300 -0.675 4.043) 5.262 2.838 ( 0.531 -2.135 -0.260) 2.215 2.847 ( 2.349 -1.106 -1.204) 2.862 3.179 ( 0.234 0.277 2.239) 2.268 3.188 ( 1.413 0.485 -1.310) 1.987 3.281 ( 0.795 3.619 -0.990) 3.835 3.320 ( 2.785 2.489 -0.255) 3.744 3.499 ( -2.498 -2.297 -0.698) 3.465 3.529 ( -0.961 -0.765 2.557) 2.837 3.715 ( 0.924 -1.521 -4.992) 5.300 3.784 ( 2.352 -1.888 4.634) 5.529 3.869 ( -1.584 -1.921 -1.537) 2.926 3.989 ( 5.550 -5.872 0.827) 8.122 4.757 ( -0.130 -0.229 -0.077) 0.275 4.797 ( 2.424 -1.000 0.521) 2.673 4.955 ( -1.146 -0.574 0.161) 1.292 5.012 ( 2.999 -2.255 0.419) 3.775 5.092 ( -1.276 -0.017 1.574) 2.026 5.111 ( 2.094 -1.242 -2.441) 3.447 5.325 ( -0.577 0.202 -1.968) 2.061 5.350 ( 0.314 -0.041 1.323) 1.360 6.349 ( 0.189 -0.107 -1.979) 1.991 6.364 ( -0.712 1.077 1.508) 1.985 6.445 ( -2.955 -0.388 0.524) 3.026 6.481 ( -0.807 1.797 -2.546) 3.219 6.805 ( -1.384 0.607 0.077) 1.513 6.834 ( 0.914 -0.340 -0.471) 1.083 6.977 ( -1.617 2.149 -0.335) 2.710 7.077 ( 3.742 -1.586 3.124) 5.126 ======================= Grid point 103 (47/60) ======================= q-point: ( 0.29 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.639 ( -1.686 -3.326 -4.755) 6.043 0.734 ( 4.309 -4.541 -5.361) 8.241 0.847 ( 4.649 -2.381 6.805) 8.578 0.967 ( 3.487 -6.083 1.618) 7.196 1.089 ( 1.235 1.684 -6.940) 7.247 1.240 ( -1.866 1.464 -0.951) 2.555 1.274 ( -0.161 -2.055 3.130) 3.748 1.445 ( 0.987 2.166 1.119) 2.630 1.490 ( -1.038 0.450 1.935) 2.241 1.505 ( 0.161 -1.719 -3.635) 4.024 1.551 ( -1.718 1.583 3.033) 3.829 1.691 ( -1.187 2.567 -2.643) 3.871 1.740 ( 4.363 -3.351 -2.446) 6.020 1.790 ( -0.248 0.448 -0.167) 0.538 1.960 ( 0.703 0.353 -4.507) 4.575 1.990 ( 0.600 -1.939 4.891) 5.296 2.043 ( 1.585 -2.078 -0.242) 2.625 2.114 ( -0.620 -0.064 2.035) 2.129 2.174 ( -1.455 0.292 2.178) 2.635 2.260 ( -0.218 2.464 -2.582) 3.576 2.306 ( 1.454 -0.930 1.802) 2.495 2.407 ( 1.725 -0.376 3.494) 3.914 2.488 ( -2.950 3.014 -0.845) 4.301 2.523 ( -1.327 2.123 -0.376) 2.531 2.689 ( -0.639 -0.165 -3.695) 3.753 2.735 ( -1.099 -0.251 2.549) 2.787 2.890 ( 0.964 -2.679 -1.284) 3.123 2.907 ( 1.750 -2.252 0.290) 2.866 3.148 ( 0.109 2.352 -2.750) 3.620 3.197 ( 0.429 0.167 3.370) 3.401 3.280 ( 1.925 0.164 -1.611) 2.516 3.326 ( 2.206 0.885 -0.405) 2.411 3.419 ( -6.450 3.657 0.914) 7.471 3.523 ( -0.694 0.098 0.591) 0.917 3.752 ( 1.923 -1.457 -2.125) 3.215 3.864 ( -1.805 -3.062 1.141) 3.733 3.916 ( 4.900 -3.893 -0.443) 6.274 4.137 ( 3.601 -3.384 0.300) 4.950 4.759 ( 0.021 -0.039 0.105) 0.114 4.853 ( 2.236 -1.383 1.157) 2.873 4.942 ( -1.735 0.103 0.705) 1.875 5.045 ( 0.240 0.561 -1.245) 1.387 5.090 ( -0.973 -0.914 1.790) 2.233 5.182 ( 3.047 -2.372 0.466) 3.890 5.303 ( -0.999 0.334 -2.039) 2.295 5.360 ( 0.293 -0.163 0.910) 0.970 6.310 ( -2.244 1.169 -2.340) 3.447 6.349 ( 0.488 0.174 -1.001) 1.128 6.410 ( -3.013 2.394 -0.606) 3.896 6.470 ( 0.796 -1.726 1.460) 2.397 6.774 ( -1.143 0.967 -0.215) 1.513 6.851 ( 0.659 -0.536 -0.344) 0.916 6.920 ( -1.048 2.254 0.621) 2.562 7.155 ( 2.749 -1.202 2.081) 3.652 ======================= Grid point 104 (48/60) ======================= q-point: ( 0.43 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.691 ( 0.431 -3.168 -1.103) 3.382 0.838 ( 3.040 -3.931 -3.544) 6.104 0.952 ( 1.555 -0.001 6.720) 6.897 1.044 ( 0.889 0.299 -4.564) 4.659 1.076 ( 2.204 -1.774 -0.067) 2.830 1.171 ( -2.924 1.639 -0.734) 3.431 1.279 ( -1.909 0.157 0.713) 2.044 1.429 ( -2.225 2.203 1.327) 3.400 1.453 ( 3.393 0.141 0.484) 3.430 1.515 ( -1.666 -0.900 1.240) 2.264 1.534 ( -1.441 1.211 -0.855) 2.068 1.660 ( 1.798 -0.434 -2.511) 3.119 1.725 ( -2.102 0.991 -0.359) 2.351 1.859 ( 2.516 -1.104 1.401) 3.084 1.967 ( 0.625 -0.784 -0.758) 1.257 2.043 ( 1.264 -1.624 -2.748) 3.433 2.084 ( -0.791 2.014 1.456) 2.608 2.111 ( 0.906 -0.135 2.180) 2.365 2.191 ( 1.588 -4.392 0.690) 4.721 2.219 ( 0.610 1.058 -0.265) 1.250 2.336 ( 0.209 1.679 -4.075) 4.412 2.364 ( -2.792 3.214 0.502) 4.287 2.454 ( -0.757 0.272 1.317) 1.543 2.533 ( 3.725 -3.788 0.943) 5.396 2.652 ( -4.178 1.099 0.726) 4.380 2.781 ( 5.074 -0.811 1.959) 5.499 2.890 ( -3.692 0.634 -1.810) 4.160 2.964 ( 0.962 -2.115 0.556) 2.389 3.118 ( 2.426 1.825 -3.295) 4.480 3.164 ( -4.646 1.571 1.525) 5.136 3.286 ( 0.203 -0.435 0.873) 0.996 3.319 ( -0.311 0.852 1.056) 1.392 3.336 ( -0.081 0.787 -1.198) 1.435 3.523 ( 0.295 -0.040 0.242) 0.384 3.779 ( 0.770 -0.325 -0.331) 0.899 3.876 ( -1.190 -1.052 -0.069) 1.590 4.058 ( 4.588 -4.170 0.189) 6.203 4.174 ( -0.625 0.984 -0.327) 1.211 4.761 ( -0.003 -0.072 0.060) 0.094 4.894 ( 0.941 -0.555 0.581) 1.237 4.926 ( -0.646 0.045 0.268) 0.701 5.026 ( -0.384 0.474 -0.388) 0.723 5.103 ( -0.086 -0.531 0.415) 0.680 5.235 ( 1.008 -0.535 1.437) 1.835 5.277 ( -0.945 0.157 -1.575) 1.843 5.366 ( -0.056 0.017 0.453) 0.457 6.272 ( -0.533 0.161 -2.060) 2.134 6.328 ( -1.227 1.482 0.794) 2.081 6.362 ( -0.450 -0.076 -0.416) 0.617 6.504 ( 0.398 -0.616 0.686) 1.004 6.751 ( -0.315 0.413 -0.122) 0.534 6.862 ( 0.188 -0.222 -0.103) 0.309 6.888 ( -0.219 0.858 0.302) 0.935 7.198 ( 0.944 -0.439 0.677) 1.242 ======================= Grid point 109 (49/60) ======================= q-point: ( 0.14 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.617 ( -2.068 0.000 -12.144) 12.319 0.716 ( 11.719 -0.000 -8.244) 14.328 0.781 ( 7.335 -0.000 9.013) 11.621 0.787 ( 1.788 -0.000 7.772) 7.975 1.162 ( 7.120 -0.000 -13.672) 15.415 1.201 ( 2.769 -0.000 -3.613) 4.552 1.228 ( 0.140 -0.000 3.910) 3.913 1.456 ( 1.825 -0.000 0.365) 1.862 1.474 ( -0.310 0.000 1.383) 1.417 1.532 ( 1.918 -0.000 -0.292) 1.940 1.627 ( -2.318 0.000 1.674) 2.859 1.647 ( -0.770 0.000 3.202) 3.293 1.728 ( -2.201 0.000 -0.120) 2.204 1.778 ( -0.800 0.000 -2.292) 2.428 1.955 ( -2.480 0.000 1.456) 2.875 1.958 ( -1.929 0.000 -3.660) 4.138 2.027 ( -0.001 0.000 -1.880) 1.880 2.100 ( -1.638 0.000 4.584) 4.868 2.191 ( 0.508 -0.000 6.712) 6.731 2.254 ( 2.639 -0.000 2.976) 3.977 2.323 ( 0.693 -0.000 -7.808) 7.839 2.408 ( 0.393 -0.000 4.355) 4.373 2.514 ( -4.618 0.000 4.017) 6.121 2.591 ( -0.477 0.000 -3.201) 3.236 2.707 ( -4.257 0.000 2.987) 5.200 2.720 ( 0.569 -0.000 -7.930) 7.951 2.820 ( 0.521 -0.000 0.406) 0.660 2.861 ( 2.791 -0.000 -0.212) 2.799 3.211 ( 2.447 -0.000 -3.323) 4.127 3.215 ( 1.642 -0.000 3.262) 3.652 3.327 ( -0.098 0.000 -2.814) 2.816 3.367 ( 1.055 -0.000 0.360) 1.115 3.445 ( -0.072 0.000 -1.364) 1.366 3.525 ( -1.998 0.000 4.233) 4.681 3.698 ( 3.008 -0.000 -5.465) 6.238 3.799 ( 1.129 -0.000 4.642) 4.777 3.932 ( 6.172 -0.000 1.110) 6.271 3.970 ( 4.452 -0.000 -0.129) 4.454 4.773 ( 1.693 -0.000 1.589) 2.321 4.820 ( 2.863 -0.000 -0.686) 2.944 4.954 ( 0.339 -0.000 -0.120) 0.360 5.035 ( 3.401 -0.000 -0.036) 3.401 5.099 ( 1.372 -0.000 -4.427) 4.635 5.100 ( 0.479 -0.000 3.429) 3.462 5.312 ( -0.562 0.000 -2.085) 2.159 5.355 ( -0.061 0.000 1.130) 1.131 6.333 ( -2.472 0.000 -2.173) 3.291 6.380 ( -1.527 0.000 -2.403) 2.847 6.401 ( 1.731 -0.000 2.472) 3.018 6.465 ( -2.773 0.000 -1.619) 3.211 6.796 ( -1.335 0.000 0.355) 1.381 6.832 ( -0.014 0.000 -0.661) 0.661 7.006 ( -1.324 0.000 3.848) 4.070 7.092 ( 1.836 -0.000 0.574) 1.924 ======================= Grid point 110 (50/60) ======================= q-point: ( 0.29 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.569 ( 0.255 -1.614 -3.882) 4.212 0.808 ( 11.357 1.269 -8.186) 14.057 0.896 ( 2.349 -3.916 5.025) 6.789 0.920 ( 7.496 -1.006 4.779) 8.947 1.144 ( 3.035 2.321 -5.854) 6.991 1.247 ( 0.546 -1.481 0.293) 1.605 1.279 ( 2.718 1.320 1.563) 3.402 1.434 ( -2.994 0.150 -1.058) 3.179 1.492 ( 3.809 -0.093 -1.128) 3.974 1.541 ( 1.025 1.817 0.767) 2.223 1.562 ( -3.915 2.193 2.049) 4.933 1.695 ( -1.610 -0.110 -0.929) 1.862 1.702 ( -1.289 -1.874 -0.748) 2.394 1.781 ( 3.331 -2.317 -2.614) 4.827 1.936 ( -0.839 -1.471 -1.778) 2.455 1.961 ( 0.520 -3.469 -3.641) 5.056 2.010 ( -0.766 0.005 -1.930) 2.077 2.109 ( -0.634 -0.241 5.826) 5.866 2.199 ( -1.026 1.850 4.895) 5.332 2.284 ( 0.109 1.978 -5.644) 5.981 2.318 ( 2.415 -1.691 3.839) 4.841 2.411 ( -2.569 -0.704 3.280) 4.226 2.482 ( -2.258 1.365 2.067) 3.352 2.534 ( -2.695 2.771 -4.253) 5.747 2.647 ( -3.727 0.084 1.182) 3.911 2.741 ( 2.773 -2.377 -2.077) 4.202 2.855 ( 1.133 -1.699 2.370) 3.128 2.915 ( 3.433 -0.912 1.382) 3.812 3.188 ( 0.893 2.305 -3.467) 4.258 3.241 ( 1.082 1.173 1.785) 2.394 3.304 ( 0.158 1.602 -1.800) 2.414 3.360 ( 0.393 1.372 -1.381) 1.986 3.407 ( -3.136 1.811 0.149) 3.624 3.528 ( -0.418 -1.110 2.021) 2.343 3.735 ( 2.870 -0.649 -2.887) 4.122 3.862 ( 3.457 -0.954 4.029) 5.394 3.943 ( 5.350 1.217 -1.253) 5.628 4.115 ( 3.558 -4.741 0.892) 5.994 4.790 ( 1.846 1.432 1.683) 2.880 4.866 ( 2.539 -1.145 0.165) 2.790 4.947 ( -0.063 0.994 0.637) 1.183 5.063 ( -1.207 -1.226 0.794) 1.895 5.070 ( 1.802 1.854 -3.105) 4.040 5.177 ( 2.688 -2.568 0.942) 3.835 5.294 ( -0.395 0.560 -1.368) 1.530 5.360 ( -0.256 -0.313 0.862) 0.952 6.280 ( -2.368 0.259 -3.184) 3.977 6.368 ( 1.721 0.962 -0.716) 2.097 6.405 ( -3.343 1.754 0.261) 3.784 6.458 ( 1.565 -1.855 1.436) 2.820 6.773 ( -1.182 0.765 0.074) 1.410 6.837 ( -0.461 -1.120 -0.397) 1.275 6.967 ( -1.412 2.958 3.445) 4.755 7.131 ( -0.749 -2.759 -0.321) 2.877 ======================= Grid point 111 (51/60) ======================= q-point: ( 0.43 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.648 ( 2.438 -4.159 3.309) 5.847 0.888 ( 8.435 0.781 -3.817) 9.291 0.963 ( -0.014 -1.895 -4.131) 4.545 1.031 ( 4.845 1.393 3.967) 6.415 1.145 ( 4.434 -0.305 -1.258) 4.619 1.227 ( 0.407 5.825 2.391) 6.309 1.272 ( 0.046 -0.363 2.409) 2.436 1.396 ( -3.067 -0.498 -1.175) 3.322 1.482 ( -2.335 2.052 3.055) 4.359 1.517 ( 0.918 0.720 -0.663) 1.342 1.540 ( 0.479 0.636 -2.672) 2.788 1.657 ( 1.110 0.002 -3.722) 3.884 1.695 ( -2.795 -1.203 -0.031) 3.043 1.854 ( -0.201 -1.188 0.718) 1.402 1.960 ( 0.421 -1.402 -0.470) 1.537 1.995 ( -0.763 -2.001 -2.503) 3.294 2.085 ( 2.528 -5.181 0.202) 5.769 2.125 ( 0.610 2.046 0.694) 2.245 2.170 ( 0.619 -0.471 3.263) 3.354 2.226 ( -0.311 1.752 -4.738) 5.061 2.343 ( -2.352 1.499 -2.397) 3.678 2.396 ( -2.563 3.578 0.396) 4.419 2.420 ( -2.369 -1.350 -0.165) 2.731 2.504 ( 2.346 -4.197 1.402) 5.009 2.609 ( -4.322 -0.002 2.604) 5.046 2.816 ( 1.256 -1.081 -1.309) 2.112 2.903 ( 2.984 0.288 3.954) 4.962 2.975 ( 3.472 -0.707 3.091) 4.702 3.150 ( -4.882 4.460 -0.971) 6.683 3.171 ( 2.130 1.084 -1.553) 2.850 3.290 ( 0.422 -0.212 0.165) 0.500 3.338 ( 0.029 1.142 -1.610) 1.975 3.361 ( 0.516 2.034 -0.064) 2.099 3.548 ( 0.209 -0.280 0.256) 0.433 3.756 ( 0.898 -0.159 -0.776) 1.198 3.903 ( 4.136 1.629 0.929) 4.542 4.046 ( 4.432 -4.129 0.275) 6.064 4.174 ( -0.841 0.265 0.129) 0.891 4.793 ( 1.982 1.604 1.326) 2.874 4.901 ( 0.954 -0.211 -0.772) 1.245 4.940 ( 0.924 0.591 1.322) 1.717 5.037 ( 0.004 1.216 -0.213) 1.235 5.090 ( 0.859 -1.207 -1.594) 2.176 5.220 ( -0.596 -1.181 -1.272) 1.835 5.285 ( 0.947 0.539 1.035) 1.503 5.363 ( -0.443 -0.196 0.392) 0.623 6.255 ( -0.152 -0.492 -1.776) 1.849 6.339 ( -2.040 1.619 1.098) 2.827 6.377 ( 1.881 0.834 0.093) 2.060 6.499 ( 0.505 -0.844 0.534) 1.119 6.751 ( -0.575 0.407 -0.028) 0.705 6.848 ( -0.705 -1.085 -0.105) 1.298 6.922 ( -0.287 2.293 1.951) 3.024 7.151 ( -3.064 -2.731 -1.024) 4.231 ======================= Grid point 112 (52/60) ======================= q-point: (-0.43 0.14 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.730 ( 0.962 -0.396 4.339) 4.462 0.907 ( -3.694 1.891 2.065) 4.636 0.968 ( 5.403 3.645 -6.383) 9.122 1.003 ( -0.817 1.965 0.200) 2.137 1.152 ( 2.523 4.665 0.768) 5.359 1.249 ( 6.351 0.307 2.358) 6.781 1.300 ( 2.689 -1.528 2.393) 3.911 1.382 ( -1.019 -2.274 -0.901) 2.650 1.418 ( -3.736 2.716 -0.477) 4.644 1.518 ( 0.307 -1.060 -1.301) 1.706 1.563 ( 3.907 -1.291 -0.254) 4.123 1.646 ( -2.097 0.581 0.691) 2.283 1.713 ( 0.247 -2.584 -1.257) 2.885 1.830 ( -3.031 0.951 -0.715) 3.256 1.983 ( 0.850 0.583 0.331) 1.083 2.025 ( -0.846 -3.340 -3.044) 4.597 2.040 ( -4.497 2.391 -0.125) 5.095 2.111 ( -2.594 0.976 5.292) 5.974 2.170 ( -0.434 -0.693 -3.889) 3.974 2.238 ( 0.093 1.915 -2.430) 3.095 2.323 ( -1.561 -0.161 4.722) 4.976 2.347 ( 2.862 -3.731 -1.717) 5.006 2.419 ( -2.102 -1.487 -2.033) 3.281 2.539 ( -3.047 2.548 -0.603) 4.017 2.639 ( 1.881 -3.939 2.252) 4.911 2.768 ( -1.163 2.180 -1.910) 3.124 2.954 ( 2.804 1.326 2.097) 3.744 3.007 ( -0.880 3.818 0.790) 3.997 3.094 ( 2.473 -2.203 4.852) 5.875 3.197 ( 3.408 -0.045 -1.263) 3.635 3.292 ( -0.032 0.558 -0.122) 0.572 3.319 ( 1.193 -0.015 -2.569) 2.832 3.341 ( 0.274 0.755 -0.146) 0.816 3.540 ( -0.806 0.206 -0.821) 1.168 3.761 ( 0.450 0.502 0.821) 1.063 3.936 ( 4.325 1.194 -0.421) 4.506 4.076 ( -3.824 4.352 0.168) 5.796 4.154 ( -0.331 -1.923 0.656) 2.059 4.795 ( 2.061 1.775 1.002) 2.898 4.894 ( -0.487 0.810 -1.098) 1.449 4.955 ( 2.477 0.703 0.789) 2.692 5.033 ( 0.888 0.085 0.541) 1.043 5.105 ( 0.551 -0.250 -1.927) 2.019 5.212 ( -1.390 -0.385 -2.072) 2.525 5.301 ( 1.240 0.161 1.736) 2.140 5.360 ( -0.410 -0.143 -0.443) 0.621 6.276 ( 1.008 -1.187 1.447) 2.126 6.319 ( 0.224 -0.459 -0.165) 0.536 6.389 ( 2.064 0.826 0.796) 2.361 6.502 ( -0.651 0.282 -0.761) 1.041 6.748 ( 0.464 -0.313 0.280) 0.626 6.852 ( -1.093 -0.615 0.095) 1.257 6.903 ( 1.117 1.066 1.132) 1.914 7.137 ( -4.919 -2.083 -1.862) 5.657 ======================= Grid point 113 (53/60) ======================= q-point: (-0.29 0.14 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.732 ( 1.508 2.976 3.785) 5.046 0.813 ( -3.581 3.468 0.354) 4.998 0.879 ( 2.217 6.921 -1.522) 7.425 0.961 ( -3.715 2.194 -1.947) 4.733 1.146 ( 4.480 3.081 2.681) 6.062 1.286 ( -3.994 4.261 -2.730) 6.447 1.309 ( 6.044 1.212 1.194) 6.279 1.407 ( 2.307 -3.197 4.349) 5.870 1.431 ( -1.643 -3.319 -1.080) 3.857 1.516 ( -1.982 0.430 -3.727) 4.243 1.601 ( 3.785 2.098 -0.265) 4.335 1.665 ( 1.378 -2.960 1.532) 3.606 1.735 ( -4.904 0.454 0.717) 4.976 1.760 ( -1.548 -1.129 -0.093) 1.919 1.956 ( -0.906 0.166 4.252) 4.350 2.001 ( 2.076 0.767 -3.983) 4.556 2.030 ( -3.177 0.210 -2.350) 3.957 2.069 ( -3.358 -0.485 0.236) 3.401 2.209 ( 1.808 -1.136 0.938) 2.332 2.235 ( 3.618 -1.306 -0.370) 3.865 2.294 ( -3.457 -0.048 1.563) 3.794 2.355 ( -4.589 0.530 -2.937) 5.475 2.469 ( 2.741 -3.449 0.263) 4.413 2.502 ( -0.001 -1.156 -1.058) 1.568 2.694 ( 1.051 -0.783 4.149) 4.351 2.758 ( 1.133 -0.575 -3.080) 3.331 2.922 ( -1.319 3.621 1.645) 4.190 2.937 ( -0.967 2.963 -0.519) 3.160 3.159 ( 2.539 0.229 3.566) 4.384 3.203 ( 0.994 1.270 -3.264) 3.640 3.272 ( -1.072 1.177 0.890) 1.824 3.299 ( -2.368 1.217 0.034) 2.663 3.431 ( 6.809 -4.611 -1.129) 8.301 3.533 ( -0.401 -0.865 -0.762) 1.220 3.761 ( 0.898 1.280 2.630) 3.059 3.890 ( -5.517 4.111 -2.082) 7.189 3.998 ( 4.952 3.467 0.721) 6.088 4.132 ( -4.282 1.784 0.353) 4.652 4.792 ( 2.000 1.886 0.685) 2.833 4.851 ( -1.886 1.893 -1.012) 2.857 4.988 ( 4.118 0.854 0.016) 4.206 5.046 ( -0.255 0.061 1.688) 1.708 5.104 ( 1.691 0.336 -3.345) 3.764 5.172 ( -3.426 1.282 -0.420) 3.682 5.320 ( 0.947 -0.027 1.582) 1.844 5.351 ( -0.797 0.013 -0.846) 1.162 6.320 ( 1.507 -1.288 1.681) 2.599 6.342 ( 0.128 -1.151 0.129) 1.166 6.415 ( 2.051 -0.490 0.873) 2.283 6.471 ( -1.658 0.800 -1.376) 2.298 6.779 ( 2.301 -0.822 0.458) 2.486 6.841 ( -1.767 -0.148 0.115) 1.776 6.931 ( 3.541 -0.470 1.407) 3.839 7.085 ( -6.160 -1.155 -2.620) 6.793 ======================= Grid point 114 (54/60) ======================= q-point: (-0.14 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.715 ( 1.099 3.500 -9.689) 10.361 0.715 ( -1.099 3.500 9.689) 10.361 0.819 ( -1.098 6.000 -6.794) 9.130 0.819 ( 1.098 6.000 6.794) 9.130 1.167 ( -2.337 1.461 -6.049) 6.648 1.167 ( 2.337 1.461 6.049) 6.648 1.374 ( -5.838 1.792 -1.506) 6.290 1.374 ( 5.838 1.792 1.506) 6.290 1.495 ( -0.761 -1.588 -6.774) 6.999 1.495 ( 0.761 -1.588 6.774) 6.999 1.611 ( -0.514 2.045 -4.088) 4.600 1.611 ( 0.514 2.045 4.088) 4.600 1.772 ( -1.708 -2.147 -3.545) 4.483 1.772 ( 1.708 -2.147 3.545) 4.483 1.983 ( -1.898 -0.474 -1.043) 2.218 1.983 ( 1.898 -0.474 1.043) 2.218 2.038 ( -2.577 -1.069 -2.400) 3.680 2.038 ( 2.577 -1.069 2.400) 3.680 2.221 ( -0.881 2.055 -3.788) 4.398 2.221 ( 0.881 2.055 3.788) 4.398 2.341 ( -1.868 -2.830 -3.361) 4.774 2.341 ( 1.868 -2.830 3.361) 4.774 2.528 ( 1.000 -2.122 -3.056) 3.853 2.528 ( -1.000 -2.122 3.056) 3.853 2.751 ( -1.328 -0.921 -4.443) 4.728 2.751 ( 1.328 -0.921 4.443) 4.728 2.867 ( -0.733 2.892 -1.098) 3.179 2.867 ( 0.733 2.892 1.098) 3.179 3.185 ( 1.108 0.480 -3.855) 4.040 3.185 ( -1.108 0.480 3.855) 4.040 3.255 ( -1.528 -0.221 -0.910) 1.792 3.255 ( 1.528 -0.221 0.910) 1.792 3.539 ( -1.100 -0.726 -0.989) 1.648 3.539 ( 1.100 -0.726 0.989) 1.648 3.765 ( -1.682 2.048 -5.152) 5.793 3.765 ( 1.682 2.048 5.152) 5.793 4.005 ( -1.313 4.892 -5.175) 7.242 4.005 ( 1.313 4.892 5.175) 7.242 4.790 ( -1.917 1.656 -0.825) 2.664 4.790 ( 1.917 1.656 0.825) 2.664 5.012 ( -0.147 1.905 -3.347) 3.854 5.012 ( 0.147 1.905 3.347) 3.854 5.111 ( 2.770 0.851 -3.472) 4.522 5.111 ( -2.770 0.851 3.472) 4.522 5.337 ( -0.593 -0.086 -1.531) 1.644 5.337 ( 0.593 -0.086 1.531) 1.644 6.355 ( 0.469 -0.482 -1.447) 1.595 6.355 ( -0.469 -0.482 1.447) 1.595 6.452 ( -0.156 -1.365 -1.115) 1.769 6.452 ( 0.156 -1.365 1.115) 1.769 6.818 ( -1.748 -0.223 -0.189) 1.773 6.818 ( 1.748 -0.223 0.189) 1.773 7.011 ( -3.984 -0.601 -4.087) 5.739 7.011 ( 3.984 -0.601 4.087) 5.739 ======================= Grid point 118 (55/60) ======================= q-point: ( 0.29 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.567 ( 2.540 -0.000 3.153) 4.049 0.882 ( 7.773 -0.000 -5.083) 9.288 0.962 ( 4.210 -0.000 1.231) 4.386 1.026 ( 7.771 -0.000 1.812) 7.980 1.149 ( -1.722 0.000 -1.781) 2.477 1.252 ( 2.613 -0.000 -0.784) 2.728 1.375 ( 6.130 -0.000 1.822) 6.395 1.395 ( -1.863 0.000 -2.943) 3.484 1.501 ( -4.432 0.000 0.450) 4.455 1.540 ( 1.893 -0.000 -1.683) 2.533 1.592 ( -4.541 0.000 4.385) 6.313 1.629 ( -1.282 0.000 1.916) 2.306 1.726 ( 3.223 -0.000 0.516) 3.264 1.786 ( 5.880 -0.000 -4.336) 7.306 1.888 ( -2.017 0.000 -3.430) 3.979 1.909 ( 1.977 -0.000 -6.474) 6.770 2.014 ( 1.963 -0.000 -4.600) 5.002 2.124 ( -0.831 0.000 7.880) 7.923 2.221 ( -2.096 0.000 4.822) 5.258 2.287 ( 2.132 -0.000 -7.887) 8.170 2.348 ( 2.122 -0.000 4.745) 5.198 2.349 ( -6.618 0.000 3.446) 7.461 2.499 ( -0.964 0.000 1.958) 2.182 2.501 ( -3.859 0.000 -5.440) 6.670 2.584 ( -6.425 0.000 0.207) 6.428 2.753 ( 5.380 -0.000 -0.799) 5.439 2.883 ( 2.061 -0.000 6.388) 6.712 2.971 ( 4.185 -0.000 3.503) 5.457 3.193 ( 0.426 -0.000 -6.263) 6.278 3.263 ( 0.277 -0.000 1.881) 1.901 3.304 ( -2.648 0.000 -2.973) 3.981 3.376 ( -0.948 0.000 -0.197) 0.968 3.384 ( -1.128 0.000 -2.583) 2.819 3.482 ( -3.544 0.000 4.001) 5.345 3.805 ( 7.411 -0.000 -3.445) 8.172 3.901 ( 3.534 -0.000 5.472) 6.514 4.070 ( 3.853 -0.000 -0.169) 3.856 4.085 ( 4.618 -0.000 -0.293) 4.627 4.841 ( 1.353 -0.000 3.764) 4.000 4.879 ( 2.120 -0.000 -1.278) 2.475 4.963 ( 0.478 -0.000 0.369) 0.604 5.035 ( -1.339 0.000 0.501) 1.429 5.095 ( 1.163 -0.000 -3.820) 3.993 5.182 ( 0.990 -0.000 -0.183) 1.007 5.302 ( 1.152 -0.000 0.021) 1.152 5.354 ( -0.648 0.000 0.847) 1.067 6.248 ( -0.783 0.000 -2.499) 2.618 6.380 ( -3.440 0.000 0.844) 3.542 6.404 ( 2.341 -0.000 -0.262) 2.355 6.472 ( 2.150 -0.000 1.405) 2.568 6.769 ( -0.988 0.000 0.372) 1.056 6.809 ( -1.407 0.000 -0.291) 1.437 6.982 ( -3.276 0.000 5.780) 6.644 7.080 ( -1.203 0.000 -4.207) 4.376 ======================= Grid point 119 (56/60) ======================= q-point: ( 0.43 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.657 ( 3.852 -2.092 9.020) 10.029 0.946 ( -0.427 2.611 -3.083) 4.062 0.971 ( 6.798 -1.407 -5.139) 8.637 1.122 ( 0.021 1.464 2.957) 3.300 1.152 ( 5.301 -3.947 -2.764) 7.163 1.281 ( 0.533 -0.259 2.257) 2.333 1.346 ( 1.440 3.503 -1.911) 4.243 1.381 ( -0.927 2.850 3.201) 4.384 1.468 ( -1.984 -0.534 -0.673) 2.162 1.531 ( -1.354 -0.534 1.157) 1.859 1.555 ( -0.486 2.668 -1.475) 3.088 1.629 ( -1.994 -2.247 0.157) 3.009 1.718 ( 5.589 5.092 -0.468) 7.575 1.827 ( -1.473 -0.805 -0.375) 1.720 1.892 ( -0.803 -3.162 -2.541) 4.136 1.991 ( 2.102 -0.213 -4.569) 5.034 2.047 ( 6.677 -4.527 -0.354) 8.074 2.157 ( 0.955 -1.050 1.785) 2.280 2.190 ( -2.636 2.842 3.689) 5.352 2.262 ( 2.975 2.664 -5.881) 7.109 2.288 ( -5.592 -0.548 1.000) 5.707 2.373 ( -3.286 1.203 -3.371) 4.859 2.419 ( -2.239 2.013 1.468) 3.349 2.481 ( 1.749 -2.179 1.152) 3.022 2.547 ( -4.224 -2.728 1.497) 5.246 2.813 ( 0.549 -0.271 0.262) 0.666 2.952 ( 2.757 -1.152 7.001) 7.612 3.029 ( 3.912 -0.380 2.368) 4.589 3.175 ( -3.423 4.862 -1.402) 6.109 3.197 ( 2.555 -0.076 -3.945) 4.701 3.280 ( -0.504 -0.705 0.352) 0.936 3.350 ( -0.914 0.646 -0.680) 1.310 3.382 ( -0.750 -0.094 -0.991) 1.247 3.470 ( -4.680 -2.132 0.601) 5.177 3.850 ( 7.051 3.156 -0.895) 7.777 3.990 ( 2.618 -0.441 4.553) 5.271 4.058 ( 4.797 1.233 -1.975) 5.332 4.165 ( 0.157 -0.799 -0.371) 0.895 4.850 ( 1.177 1.413 2.321) 2.961 4.900 ( 0.169 -0.485 -0.582) 0.777 4.967 ( 1.715 0.460 -0.196) 1.787 5.039 ( -1.326 -1.033 2.112) 2.699 5.090 ( 2.012 0.438 -3.311) 3.899 5.183 ( -1.306 -0.940 -1.732) 2.364 5.314 ( 1.265 0.572 0.664) 1.539 5.352 ( -0.674 -0.354 0.409) 0.864 6.245 ( 0.881 -0.457 -1.203) 1.560 6.336 ( -2.666 0.745 1.171) 3.005 6.426 ( 2.647 0.979 0.490) 2.865 6.499 ( 0.761 -0.181 0.476) 0.915 6.754 ( -0.312 0.494 0.218) 0.623 6.808 ( -1.632 -1.697 0.017) 2.354 6.955 ( -1.528 1.365 3.908) 4.413 7.059 ( -2.787 -1.784 -3.884) 5.103 ======================= Grid point 120 (57/60) ======================= q-point: ( 0.57 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.760 ( 2.515 -0.769 7.255) 7.717 0.878 ( -3.022 1.079 -3.288) 4.595 1.034 ( 3.734 0.989 -2.696) 4.711 1.075 ( -0.965 4.061 0.918) 4.274 1.265 ( 2.832 -3.556 -3.525) 5.752 1.289 ( -0.450 -0.356 3.272) 3.322 1.305 ( 4.309 4.031 -0.308) 5.908 1.366 ( -0.349 0.111 2.601) 2.627 1.460 ( -0.494 1.258 2.334) 2.697 1.488 ( -0.457 0.285 -5.059) 5.087 1.559 ( 1.093 -2.129 1.986) 3.110 1.631 ( -2.596 -1.790 -0.463) 3.187 1.711 ( 5.054 4.085 -0.137) 6.500 1.814 ( -1.603 0.788 -0.598) 1.884 1.936 ( 0.116 -3.637 -3.406) 4.984 1.988 ( -1.517 -0.832 -0.240) 1.746 2.058 ( -3.527 6.003 2.177) 7.295 2.102 ( -2.941 1.467 2.071) 3.885 2.187 ( 2.775 0.869 -4.136) 5.055 2.240 ( -1.220 0.034 -0.140) 1.229 2.275 ( -0.443 -2.530 -0.793) 2.688 2.348 ( -2.393 -1.738 -2.132) 3.646 2.376 ( 3.419 0.681 2.538) 4.312 2.510 ( -3.637 -0.621 -2.146) 4.268 2.628 ( 3.941 -3.382 4.767) 7.049 2.765 ( -3.738 1.076 -2.085) 4.413 3.011 ( 1.813 1.037 3.468) 4.048 3.059 ( -1.591 4.132 0.130) 4.430 3.141 ( 7.104 -2.546 2.716) 8.021 3.233 ( 2.372 0.240 -0.285) 2.401 3.289 ( 0.343 -1.171 -1.071) 1.624 3.322 ( -0.335 0.465 -1.335) 1.453 3.359 ( -0.563 1.297 -0.803) 1.627 3.436 ( -7.024 -3.281 -0.771) 7.791 3.875 ( 6.935 4.566 1.003) 8.364 3.999 ( 0.761 2.070 -0.340) 2.231 4.109 ( -1.416 2.724 1.073) 3.252 4.117 ( -0.421 -0.976 -0.909) 1.399 4.853 ( 1.673 1.298 1.246) 2.456 4.894 ( -0.896 0.424 -0.522) 1.120 4.994 ( 2.840 -0.336 -0.728) 2.951 5.042 ( -1.592 -0.431 3.157) 3.562 5.107 ( 2.700 -0.117 -2.668) 3.797 5.173 ( -1.963 -0.868 -1.594) 2.674 5.323 ( 0.972 0.229 0.837) 1.303 5.349 ( -0.695 -0.168 -0.427) 0.833 6.275 ( 1.613 -1.233 0.294) 2.052 6.310 ( -1.164 -0.266 0.423) 1.267 6.442 ( 2.592 1.314 0.804) 3.015 6.495 ( -0.971 0.536 -0.529) 1.228 6.757 ( 1.297 -0.311 0.463) 1.412 6.812 ( -2.194 -1.525 -0.041) 2.672 6.943 ( 1.015 0.888 2.526) 2.864 7.030 ( -4.100 -1.508 -3.121) 5.369 ======================= Grid point 121 (58/60) ======================= q-point: (-0.29 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( -0.984 1.312 -5.001) 5.263 0.808 ( 0.984 1.312 5.001) 5.263 0.990 ( 0.294 4.881 -2.260) 5.387 0.990 ( -0.294 4.881 2.260) 5.387 1.287 ( -2.711 3.347 -2.431) 4.945 1.287 ( 2.711 3.347 2.431) 4.945 1.346 ( -2.166 -2.698 -1.438) 3.747 1.346 ( 2.166 -2.698 1.438) 3.747 1.470 ( -3.021 0.587 -4.464) 5.422 1.470 ( 3.021 0.587 4.464) 5.422 1.636 ( -1.817 -2.805 -2.434) 4.134 1.636 ( 1.817 -2.805 2.434) 4.134 1.716 ( -5.722 2.239 0.011) 6.145 1.716 ( 5.722 2.239 -0.011) 6.145 1.971 ( 0.595 -1.270 -5.699) 5.869 1.971 ( -0.595 -1.270 5.699) 5.869 2.042 ( 2.448 0.926 -8.980) 9.354 2.042 ( -2.448 0.926 8.980) 9.354 2.211 ( -0.316 -1.162 -2.087) 2.410 2.211 ( 0.316 -1.162 2.087) 2.410 2.311 ( -1.480 0.863 -3.709) 4.085 2.311 ( 1.480 0.863 3.709) 4.085 2.459 ( -3.280 -1.538 -1.629) 3.972 2.459 ( 3.280 -1.538 1.629) 3.972 2.718 ( -2.142 -1.042 -4.112) 4.752 2.718 ( 2.142 -1.042 4.112) 4.752 2.985 ( 0.456 3.640 -1.779) 4.077 2.985 ( -0.456 3.640 1.779) 4.077 3.215 ( -0.328 1.251 -3.875) 4.085 3.215 ( 0.328 1.251 3.875) 4.085 3.303 ( -0.961 1.574 -0.383) 1.883 3.303 ( 0.961 1.574 0.383) 1.883 3.423 ( -4.368 -5.236 -0.334) 6.827 3.423 ( 4.368 -5.236 0.334) 6.827 3.882 ( -3.750 4.866 -4.291) 7.494 3.882 ( 3.750 4.866 4.291) 7.494 4.098 ( 0.103 0.875 -4.117) 4.210 4.098 ( -0.103 0.875 4.117) 4.210 4.855 ( -0.769 1.731 -1.994) 2.750 4.855 ( 0.769 1.731 1.994) 2.750 5.034 ( 2.329 -0.371 -2.394) 3.361 5.034 ( -2.329 -0.371 2.394) 3.361 5.139 ( 0.620 0.362 -3.646) 3.716 5.139 ( -0.620 0.362 3.647) 3.716 5.337 ( -0.771 0.020 -1.021) 1.280 5.337 ( 0.771 0.020 1.021) 1.280 6.315 ( -0.272 -1.370 -1.605) 2.128 6.315 ( 0.272 -1.370 1.605) 2.128 6.455 ( -2.318 1.073 -1.023) 2.752 6.455 ( 2.318 1.073 1.023) 2.752 6.801 ( -2.683 -0.971 -0.467) 2.892 6.801 ( 2.683 -0.971 0.467) 2.892 6.983 ( -2.597 -0.676 -4.386) 5.142 6.983 ( 2.597 -0.676 4.386) 5.142 ======================= Grid point 127 (59/60) ======================= q-point: ( 0.43 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( 4.497 -0.000 12.289) 13.086 0.930 ( -3.260 0.000 -8.232) 8.854 1.019 ( 5.716 -0.000 -4.394) 7.210 1.089 ( -2.011 0.000 0.396) 2.050 1.199 ( 4.552 -0.000 1.478) 4.786 1.284 ( -1.205 0.000 0.544) 1.322 1.351 ( 0.782 -0.000 -3.251) 3.344 1.388 ( -3.713 0.000 2.540) 4.499 1.498 ( -2.480 0.000 5.626) 6.148 1.504 ( 3.007 -0.000 -2.072) 3.652 1.566 ( -1.326 0.000 -1.590) 2.070 1.589 ( -0.109 0.000 -0.292) 0.312 1.796 ( -0.645 0.000 -0.990) 1.182 1.811 ( -2.011 0.000 1.076) 2.281 1.924 ( 6.538 -0.000 2.932) 7.166 1.994 ( 4.592 -0.000 -6.118) 7.650 2.083 ( 6.187 -0.000 -8.057) 10.158 2.145 ( -3.102 0.000 6.094) 6.838 2.195 ( -2.474 0.000 3.424) 4.225 2.265 ( 0.278 -0.000 4.944) 4.952 2.275 ( -3.862 0.000 -4.664) 6.055 2.351 ( 2.520 -0.000 -9.102) 9.444 2.416 ( -5.290 0.000 3.158) 6.161 2.454 ( -2.825 0.000 0.165) 2.830 2.514 ( 7.648 -0.000 3.135) 8.265 2.773 ( -7.490 0.000 -0.384) 7.499 3.005 ( 2.534 -0.000 8.669) 9.032 3.086 ( 5.750 -0.000 -1.786) 6.021 3.158 ( -2.348 0.000 -7.118) 7.495 3.231 ( 3.836 -0.000 -1.304) 4.052 3.267 ( -2.850 0.000 3.978) 4.894 3.284 ( -5.412 0.000 0.937) 5.493 3.384 ( 0.908 -0.000 0.267) 0.946 3.430 ( -1.649 0.000 -1.485) 2.219 3.956 ( 5.937 -0.000 -2.614) 6.487 4.012 ( -0.071 0.000 5.533) 5.534 4.131 ( 2.617 -0.000 -1.988) 3.286 4.160 ( 0.822 -0.000 -0.010) 0.822 4.877 ( -0.492 0.000 2.966) 3.007 4.888 ( 0.111 -0.000 -1.907) 1.910 4.994 ( 1.975 -0.000 -1.369) 2.403 5.018 ( -0.944 0.000 1.673) 1.921 5.106 ( 1.205 -0.000 -0.300) 1.241 5.149 ( -1.560 0.000 -1.820) 2.397 5.332 ( 0.753 -0.000 -0.436) 0.870 5.342 ( -0.702 0.000 0.791) 1.058 6.254 ( 1.893 -0.000 -0.897) 2.095 6.309 ( -2.972 0.000 1.105) 3.171 6.468 ( 2.181 -0.000 1.094) 2.440 6.507 ( -0.041 0.000 -0.347) 0.350 6.757 ( -0.090 0.000 0.383) 0.394 6.773 ( -1.102 0.000 -0.150) 1.112 6.963 ( -1.565 0.000 5.601) 5.816 7.003 ( -0.909 0.000 -5.962) 6.031 ======================= Grid point 128 (60/60) ======================= q-point: ( 0.57 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.833 ( -3.455 0.865 -9.407) 10.059 0.833 ( 3.455 0.865 9.407) 10.059 1.074 ( 1.507 -0.841 -2.439) 2.988 1.074 ( -1.507 -0.841 2.439) 2.988 1.257 ( -0.044 -0.616 -1.517) 1.638 1.257 ( 0.044 -0.616 1.517) 1.638 1.366 ( 1.976 -0.434 -2.815) 3.467 1.366 ( -1.976 -0.434 2.815) 3.467 1.484 ( 0.210 2.002 -6.360) 6.671 1.484 ( -0.210 2.002 6.360) 6.671 1.573 ( -2.918 -0.310 -0.527) 2.982 1.573 ( 2.918 -0.310 0.527) 2.982 1.807 ( 0.898 -0.666 -1.733) 2.062 1.807 ( -0.898 -0.666 1.733) 2.062 1.956 ( -4.994 2.919 -1.096) 5.888 1.956 ( 4.994 2.919 1.096) 5.888 2.126 ( 0.626 2.234 -4.949) 5.466 2.126 ( -0.626 2.234 4.949) 5.466 2.196 ( 3.477 -0.857 -3.695) 5.146 2.196 ( -3.477 -0.857 3.695) 5.146 2.293 ( 1.010 1.024 -6.484) 6.641 2.293 ( -1.010 1.024 6.484) 6.641 2.434 ( -3.436 -1.171 -1.696) 4.007 2.434 ( 3.436 -1.171 1.696) 4.007 2.670 ( -8.494 -2.128 -3.055) 9.274 2.670 ( 8.494 -2.128 3.055) 9.274 3.070 ( -2.314 0.652 -6.263) 6.709 3.070 ( 2.314 0.652 6.263) 6.709 3.204 ( -7.461 -1.587 0.201) 7.631 3.204 ( 7.461 -1.587 -0.201) 7.631 3.268 ( 1.515 -0.824 -2.883) 3.359 3.268 ( -1.515 -0.824 2.883) 3.359 3.389 ( -1.120 1.541 -1.872) 2.671 3.389 ( 1.120 1.541 1.872) 2.671 4.000 ( 1.020 0.883 -1.926) 2.351 4.000 ( -1.020 0.883 1.926) 2.351 4.135 ( -1.354 1.965 -0.092) 2.388 4.135 ( 1.354 1.965 0.092) 2.388 4.883 ( 0.250 0.017 -2.350) 2.363 4.883 ( -0.250 0.017 2.350) 2.363 5.014 ( 2.083 -0.433 -1.902) 2.854 5.014 ( -2.083 -0.433 1.902) 2.854 5.129 ( -0.646 -0.572 -1.981) 2.161 5.129 ( 0.646 -0.572 1.981) 2.161 5.337 ( 0.054 0.013 -0.836) 0.838 5.337 ( -0.054 0.013 0.836) 0.838 6.282 ( 0.166 -0.508 -1.085) 1.209 6.282 ( -0.166 -0.508 1.085) 1.209 6.489 ( -1.490 0.648 -0.857) 1.837 6.489 ( 1.490 0.648 0.857) 1.837 6.767 ( -0.968 -0.661 -0.479) 1.267 6.767 ( 0.968 -0.661 0.479) 1.267 6.975 ( -0.021 0.008 -5.582) 5.582 6.975 ( 0.021 0.008 5.582) 5.582 =================== 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 3/10584 10.0 21.946 17.047 23.166 0.000 0.509 -0.000 3/10584 20.0 6.236 4.252 7.344 -0.000 0.208 -0.000 3/10584 30.0 3.413 2.264 4.143 -0.000 0.103 -0.000 3/10584 40.0 2.374 1.558 2.915 -0.000 0.060 -0.000 3/10584 50.0 1.842 1.200 2.270 -0.000 0.040 -0.000 3/10584 60.0 1.515 0.982 1.869 -0.000 0.030 -0.000 3/10584 70.0 1.292 0.834 1.594 -0.000 0.023 -0.000 3/10584 80.0 1.129 0.727 1.392 -0.000 0.019 -0.000 3/10584 90.0 1.004 0.645 1.238 -0.000 0.016 -0.000 3/10584 100.0 0.905 0.580 1.115 -0.000 0.014 -0.000 3/10584 110.0 0.825 0.527 1.015 -0.000 0.012 -0.000 3/10584 120.0 0.757 0.484 0.932 -0.000 0.011 -0.000 3/10584 130.0 0.701 0.447 0.862 -0.000 0.010 -0.000 3/10584 140.0 0.652 0.415 0.802 -0.000 0.009 -0.000 3/10584 150.0 0.610 0.388 0.750 -0.000 0.008 -0.000 3/10584 160.0 0.573 0.364 0.704 -0.000 0.007 -0.000 3/10584 170.0 0.540 0.343 0.664 -0.000 0.007 -0.000 3/10584 180.0 0.511 0.324 0.628 -0.000 0.006 -0.000 3/10584 190.0 0.485 0.308 0.596 -0.000 0.006 -0.000 3/10584 200.0 0.461 0.292 0.567 -0.000 0.005 -0.000 3/10584 210.0 0.440 0.279 0.540 -0.000 0.005 -0.000 3/10584 220.0 0.420 0.266 0.516 -0.000 0.005 -0.000 3/10584 230.0 0.403 0.255 0.494 -0.000 0.005 -0.000 3/10584 240.0 0.386 0.244 0.474 -0.000 0.004 -0.000 3/10584 250.0 0.371 0.235 0.456 -0.000 0.004 -0.000 3/10584 260.0 0.357 0.226 0.439 -0.000 0.004 -0.000 3/10584 270.0 0.344 0.218 0.423 -0.000 0.004 -0.000 3/10584 280.0 0.332 0.210 0.408 -0.000 0.004 -0.000 3/10584 290.0 0.321 0.203 0.394 -0.000 0.003 -0.000 3/10584 300.0 0.311 0.196 0.381 -0.000 0.003 -0.000 3/10584 310.0 0.301 0.190 0.369 -0.000 0.003 -0.000 3/10584 320.0 0.291 0.184 0.358 -0.000 0.003 -0.000 3/10584 330.0 0.283 0.179 0.347 -0.000 0.003 -0.000 3/10584 340.0 0.275 0.173 0.337 -0.000 0.003 -0.000 3/10584 350.0 0.267 0.169 0.328 -0.000 0.003 -0.000 3/10584 360.0 0.260 0.164 0.319 -0.000 0.003 -0.000 3/10584 370.0 0.253 0.160 0.310 -0.000 0.003 -0.000 3/10584 380.0 0.246 0.155 0.302 -0.000 0.003 -0.000 3/10584 390.0 0.240 0.151 0.295 -0.000 0.002 -0.000 3/10584 400.0 0.234 0.148 0.287 -0.000 0.002 -0.000 3/10584 410.0 0.229 0.144 0.280 -0.000 0.002 -0.000 3/10584 420.0 0.223 0.141 0.274 -0.000 0.002 -0.000 3/10584 430.0 0.218 0.137 0.268 -0.000 0.002 -0.000 3/10584 440.0 0.213 0.134 0.262 -0.000 0.002 -0.000 3/10584 450.0 0.209 0.131 0.256 -0.000 0.002 -0.000 3/10584 460.0 0.204 0.129 0.250 -0.000 0.002 -0.000 3/10584 470.0 0.200 0.126 0.245 -0.000 0.002 -0.000 3/10584 480.0 0.196 0.123 0.240 -0.000 0.002 -0.000 3/10584 490.0 0.192 0.121 0.235 -0.000 0.002 -0.000 3/10584 500.0 0.188 0.118 0.231 -0.000 0.002 -0.000 3/10584 510.0 0.184 0.116 0.226 -0.000 0.002 -0.000 3/10584 520.0 0.181 0.114 0.222 -0.000 0.002 -0.000 3/10584 530.0 0.177 0.112 0.218 -0.000 0.002 -0.000 3/10584 540.0 0.174 0.110 0.214 -0.000 0.002 -0.000 3/10584 550.0 0.171 0.108 0.210 -0.000 0.002 -0.000 3/10584 560.0 0.168 0.106 0.206 -0.000 0.002 -0.000 3/10584 570.0 0.165 0.104 0.203 -0.000 0.002 -0.000 3/10584 580.0 0.162 0.102 0.199 -0.000 0.002 -0.000 3/10584 590.0 0.160 0.101 0.196 -0.000 0.002 -0.000 3/10584 600.0 0.157 0.099 0.193 -0.000 0.002 -0.000 3/10584 610.0 0.154 0.097 0.189 -0.000 0.002 -0.000 3/10584 620.0 0.152 0.096 0.186 -0.000 0.001 -0.000 3/10584 630.0 0.150 0.094 0.184 -0.000 0.001 -0.000 3/10584 640.0 0.147 0.093 0.181 -0.000 0.001 -0.000 3/10584 650.0 0.145 0.091 0.178 -0.000 0.001 -0.000 3/10584 660.0 0.143 0.090 0.175 -0.000 0.001 -0.000 3/10584 670.0 0.141 0.089 0.173 -0.000 0.001 -0.000 3/10584 680.0 0.139 0.087 0.170 -0.000 0.001 -0.000 3/10584 690.0 0.137 0.086 0.168 -0.000 0.001 -0.000 3/10584 700.0 0.135 0.085 0.165 -0.000 0.001 -0.000 3/10584 710.0 0.133 0.084 0.163 -0.000 0.001 -0.000 3/10584 720.0 0.131 0.082 0.161 -0.000 0.001 -0.000 3/10584 730.0 0.129 0.081 0.159 -0.000 0.001 -0.000 3/10584 740.0 0.128 0.080 0.156 -0.000 0.001 -0.000 3/10584 750.0 0.126 0.079 0.154 -0.000 0.001 -0.000 3/10584 760.0 0.124 0.078 0.152 -0.000 0.001 -0.000 3/10584 770.0 0.123 0.077 0.150 -0.000 0.001 -0.000 3/10584 780.0 0.121 0.076 0.149 -0.000 0.001 -0.000 3/10584 790.0 0.120 0.075 0.147 -0.000 0.001 -0.000 3/10584 800.0 0.118 0.074 0.145 -0.000 0.001 -0.000 3/10584 810.0 0.117 0.073 0.143 -0.000 0.001 -0.000 3/10584 820.0 0.115 0.072 0.141 -0.000 0.001 -0.000 3/10584 830.0 0.114 0.072 0.140 -0.000 0.001 -0.000 3/10584 840.0 0.112 0.071 0.138 -0.000 0.001 -0.000 3/10584 850.0 0.111 0.070 0.136 -0.000 0.001 -0.000 3/10584 860.0 0.110 0.069 0.135 -0.000 0.001 -0.000 3/10584 870.0 0.109 0.068 0.133 -0.000 0.001 -0.000 3/10584 880.0 0.107 0.068 0.132 -0.000 0.001 -0.000 3/10584 890.0 0.106 0.067 0.130 -0.000 0.001 -0.000 3/10584 900.0 0.105 0.066 0.129 -0.000 0.001 -0.000 3/10584 910.0 0.104 0.065 0.127 -0.000 0.001 -0.000 3/10584 920.0 0.103 0.065 0.126 -0.000 0.001 -0.000 3/10584 930.0 0.102 0.064 0.125 -0.000 0.001 -0.000 3/10584 940.0 0.101 0.063 0.123 -0.000 0.001 -0.000 3/10584 950.0 0.100 0.063 0.122 -0.000 0.001 -0.000 3/10584 960.0 0.099 0.062 0.121 -0.000 0.001 -0.000 3/10584 970.0 0.098 0.061 0.120 -0.000 0.001 -0.000 3/10584 980.0 0.097 0.061 0.118 -0.000 0.001 -0.000 3/10584 990.0 0.096 0.060 0.117 -0.000 0.001 -0.000 3/10584 1000.0 0.095 0.059 0.116 -0.000 0.001 -0.000 3/10584 Thermal conductivity related properties were written into "kappa-m774.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:20:20]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|