----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:36:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ] Spacegroup: Fddd (70) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 0.000000000000000 5.306184430000000 12.567338229999999 b 3.039469200000000 0.000000000000000 12.567338229999999 c 3.039469200000000 5.306184430000000 0.000000000000000 Atomic positions (fractional): *1 S 0.38977510581837 0.73211318762492 0.27783115534889 32.065 2 S 0.51788681237508 0.86022489418163 0.64971944879218 32.065 3 S 0.97216884465111 0.64971944879218 0.86022489418163 32.065 4 S 0.64971944879218 0.97216884465111 0.51788681237508 32.065 5 S 0.60028055120782 0.27783115534889 0.73211318762492 32.065 6 S 0.27783115534889 0.60028055120782 0.38977510581837 32.065 7 S 0.73211318762492 0.38977510581837 0.60028055120782 32.065 8 S 0.86022489418163 0.51788681237508 0.97216884465111 32.065 *9 K 0.07718981002793 0.07718981002793 0.92281018997207 39.098 10 K 0.32718981002793 0.32718981002793 0.17281018997207 39.098 11 K 0.17281018997207 0.17281018997207 0.32718981002793 39.098 12 K 0.92281018997207 0.92281018997207 0.07718981002793 39.098 *13 Pd 0.25085972676278 0.25085972676278 0.74914027323722 106.420 14 Pd 0.50085972676278 0.50085972676278 0.99914027323722 106.420 15 Pd 0.99914027323722 0.99914027323722 0.50085972676278 106.420 *16 Pd 0.50000000000000 0.50000000000000 0.50000000000000 106.420 17 Pd 0.75000000000000 0.75000000000000 0.75000000000000 106.420 18 Pd 0.74914027323722 0.74914027323722 0.25085972676278 106.420 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.078938400000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.612368860000000 0.000000000000000 c 0.000000000000000 0.000000000000000 25.134676459999998 Atomic positions (fractional): *1 S 0.00497217148690 0.83380313058363 0.56094414672165 32.065 > 1 2 S 0.75497217148690 0.58380313058363 0.68905585327835 32.065 > 2 3 S 0.75497217148690 0.91619686941637 0.81094414672165 32.065 > 3 4 S 0.74502782851310 0.58380313058363 0.81094414672165 32.065 > 4 5 S 0.00497217148690 0.66619686941637 0.93905585327835 32.065 > 5 6 S 0.49502782851310 0.83380313058363 0.93905585327835 32.065 > 6 7 S 0.49502782851310 0.66619686941637 0.56094414672165 32.065 > 7 8 S 0.74502782851310 0.91619686941637 0.68905585327835 32.065 > 8 9 S 0.00497217148690 0.33380313058363 0.06094414672165 32.065 > 1 10 S 0.75497217148690 0.08380313058363 0.18905585327835 32.065 > 2 11 S 0.75497217148690 0.41619686941637 0.31094414672165 32.065 > 3 12 S 0.74502782851310 0.08380313058363 0.31094414672165 32.065 > 4 13 S 0.00497217148690 0.16619686941637 0.43905585327835 32.065 > 5 14 S 0.49502782851310 0.33380313058363 0.43905585327835 32.065 > 6 15 S 0.49502782851310 0.16619686941637 0.06094414672165 32.065 > 7 16 S 0.74502782851310 0.41619686941637 0.18905585327835 32.065 > 8 17 S 0.50497217148690 0.83380313058363 0.06094414672165 32.065 > 1 18 S 0.25497217148690 0.58380313058363 0.18905585327835 32.065 > 2 19 S 0.25497217148690 0.91619686941637 0.31094414672165 32.065 > 3 20 S 0.24502782851310 0.58380313058363 0.31094414672165 32.065 > 4 21 S 0.50497217148690 0.66619686941637 0.43905585327835 32.065 > 5 22 S 0.99502782851310 0.83380313058363 0.43905585327835 32.065 > 6 23 S 0.99502782851310 0.66619686941637 0.06094414672165 32.065 > 7 24 S 0.24502782851310 0.91619686941637 0.18905585327835 32.065 > 8 25 S 0.50497217148690 0.33380313058363 0.56094414672165 32.065 > 1 26 S 0.25497217148690 0.08380313058363 0.68905585327835 32.065 > 2 27 S 0.25497217148690 0.41619686941637 0.81094414672165 32.065 > 3 28 S 0.24502782851310 0.08380313058363 0.81094414672165 32.065 > 4 29 S 0.50497217148690 0.16619686941637 0.93905585327835 32.065 > 5 30 S 0.99502782851310 0.33380313058363 0.93905585327835 32.065 > 6 31 S 0.99502782851310 0.16619686941637 0.56094414672165 32.065 > 7 32 S 0.24502782851310 0.41619686941637 0.68905585327835 32.065 > 8 *33 K 0.50000000000000 0.00000000000000 0.57718981002793 39.098 > 9 34 K 0.25000000000000 0.75000000000000 0.82718981002793 39.098 > 10 35 K 0.25000000000000 0.75000000000000 0.67281018997207 39.098 > 11 36 K 0.00000000000000 0.00000000000000 0.92281018997207 39.098 > 12 37 K 0.50000000000000 0.50000000000000 0.07718981002793 39.098 > 9 38 K 0.25000000000000 0.25000000000000 0.32718981002793 39.098 > 10 39 K 0.25000000000000 0.25000000000000 0.17281018997207 39.098 > 11 40 K 0.00000000000000 0.50000000000000 0.42281018997207 39.098 > 12 41 K 0.00000000000000 0.00000000000000 0.07718981002793 39.098 > 9 42 K 0.75000000000000 0.75000000000000 0.32718981002793 39.098 > 10 43 K 0.75000000000000 0.75000000000000 0.17281018997207 39.098 > 11 44 K 0.50000000000000 0.00000000000000 0.42281018997207 39.098 > 12 45 K 0.00000000000000 0.50000000000000 0.57718981002793 39.098 > 9 46 K 0.75000000000000 0.25000000000000 0.82718981002793 39.098 > 10 47 K 0.75000000000000 0.25000000000000 0.67281018997207 39.098 > 11 48 K 0.50000000000000 0.50000000000000 0.92281018997207 39.098 > 12 *49 Pd 0.50000000000000 0.00000000000000 0.75085972676278 106.420 > 13 50 Pd 0.75000000000000 0.75000000000000 0.50085972676278 106.420 > 14 51 Pd 0.75000000000000 0.75000000000000 0.99914027323722 106.420 > 15 *52 Pd 0.50000000000000 0.00000000000000 0.00000000000000 106.420 > 16 53 Pd 0.75000000000000 0.75000000000000 0.75000000000000 106.420 > 17 54 Pd 0.00000000000000 0.00000000000000 0.74914027323722 106.420 > 18 55 Pd 0.50000000000000 0.50000000000000 0.25085972676278 106.420 > 13 56 Pd 0.75000000000000 0.25000000000000 0.00085972676278 106.420 > 14 57 Pd 0.75000000000000 0.25000000000000 0.49914027323722 106.420 > 15 58 Pd 0.50000000000000 0.50000000000000 0.50000000000000 106.420 > 16 59 Pd 0.75000000000000 0.25000000000000 0.25000000000000 106.420 > 17 60 Pd 0.00000000000000 0.50000000000000 0.24914027323722 106.420 > 18 61 Pd 0.00000000000000 0.00000000000000 0.25085972676278 106.420 > 13 62 Pd 0.25000000000000 0.75000000000000 0.00085972676278 106.420 > 14 63 Pd 0.25000000000000 0.75000000000000 0.49914027323722 106.420 > 15 64 Pd 0.00000000000000 0.00000000000000 0.50000000000000 106.420 > 16 65 Pd 0.25000000000000 0.75000000000000 0.25000000000000 106.420 > 17 66 Pd 0.50000000000000 0.00000000000000 0.24914027323722 106.420 > 18 67 Pd 0.00000000000000 0.50000000000000 0.75085972676278 106.420 > 13 68 Pd 0.25000000000000 0.25000000000000 0.50085972676278 106.420 > 14 69 Pd 0.25000000000000 0.25000000000000 0.99914027323722 106.420 > 15 70 Pd 0.00000000000000 0.50000000000000 0.00000000000000 106.420 > 16 71 Pd 0.25000000000000 0.25000000000000 0.75000000000000 106.420 > 17 72 Pd 0.50000000000000 0.50000000000000 0.74914027323722 106.420 > 18 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.157876800000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.612368860000000 0.000000000000000 c 0.000000000000000 0.000000000000000 25.134676459999998 Atomic positions (fractional): *1 S 0.00248608574345 0.83380313058363 0.56094414672165 32.065 > 1 2 S 0.50248608574345 0.83380313058363 0.56094414672165 32.065 > 1 3 S 0.37748608574345 0.58380313058363 0.68905585327835 32.065 > 2 4 S 0.87748608574345 0.58380313058363 0.68905585327835 32.065 > 2 5 S 0.37748608574345 0.91619686941637 0.81094414672165 32.065 > 3 6 S 0.87748608574345 0.91619686941637 0.81094414672165 32.065 > 3 7 S 0.37251391425655 0.58380313058363 0.81094414672165 32.065 > 4 8 S 0.87251391425655 0.58380313058363 0.81094414672165 32.065 > 4 9 S 0.00248608574345 0.66619686941637 0.93905585327835 32.065 > 5 10 S 0.50248608574345 0.66619686941637 0.93905585327835 32.065 > 5 11 S 0.24751391425655 0.83380313058363 0.93905585327835 32.065 > 6 12 S 0.74751391425655 0.83380313058363 0.93905585327835 32.065 > 6 13 S 0.24751391425655 0.66619686941637 0.56094414672165 32.065 > 7 14 S 0.74751391425655 0.66619686941637 0.56094414672165 32.065 > 7 15 S 0.37251391425655 0.91619686941637 0.68905585327835 32.065 > 8 16 S 0.87251391425655 0.91619686941637 0.68905585327835 32.065 > 8 17 S 0.00248608574345 0.33380313058363 0.06094414672165 32.065 > 1 18 S 0.50248608574345 0.33380313058363 0.06094414672165 32.065 > 1 19 S 0.37748608574345 0.08380313058363 0.18905585327835 32.065 > 2 20 S 0.87748608574345 0.08380313058363 0.18905585327835 32.065 > 2 21 S 0.37748608574345 0.41619686941637 0.31094414672165 32.065 > 3 22 S 0.87748608574345 0.41619686941637 0.31094414672165 32.065 > 3 23 S 0.37251391425655 0.08380313058363 0.31094414672165 32.065 > 4 24 S 0.87251391425655 0.08380313058363 0.31094414672165 32.065 > 4 25 S 0.00248608574345 0.16619686941637 0.43905585327835 32.065 > 5 26 S 0.50248608574345 0.16619686941637 0.43905585327835 32.065 > 5 27 S 0.24751391425655 0.33380313058363 0.43905585327835 32.065 > 6 28 S 0.74751391425655 0.33380313058363 0.43905585327835 32.065 > 6 29 S 0.24751391425655 0.16619686941637 0.06094414672165 32.065 > 7 30 S 0.74751391425655 0.16619686941637 0.06094414672165 32.065 > 7 31 S 0.37251391425655 0.41619686941637 0.18905585327835 32.065 > 8 32 S 0.87251391425655 0.41619686941637 0.18905585327835 32.065 > 8 33 S 0.25248608574345 0.83380313058363 0.06094414672165 32.065 > 1 34 S 0.75248608574345 0.83380313058363 0.06094414672165 32.065 > 1 35 S 0.12748608574345 0.58380313058363 0.18905585327835 32.065 > 2 36 S 0.62748608574345 0.58380313058363 0.18905585327835 32.065 > 2 37 S 0.12748608574345 0.91619686941637 0.31094414672165 32.065 > 3 38 S 0.62748608574345 0.91619686941637 0.31094414672165 32.065 > 3 39 S 0.12251391425655 0.58380313058363 0.31094414672165 32.065 > 4 40 S 0.62251391425655 0.58380313058363 0.31094414672165 32.065 > 4 41 S 0.25248608574345 0.66619686941637 0.43905585327835 32.065 > 5 42 S 0.75248608574345 0.66619686941637 0.43905585327835 32.065 > 5 43 S 0.49751391425655 0.83380313058363 0.43905585327835 32.065 > 6 44 S 0.99751391425655 0.83380313058363 0.43905585327835 32.065 > 6 45 S 0.49751391425655 0.66619686941637 0.06094414672165 32.065 > 7 46 S 0.99751391425655 0.66619686941637 0.06094414672165 32.065 > 7 47 S 0.12251391425655 0.91619686941637 0.18905585327835 32.065 > 8 48 S 0.62251391425655 0.91619686941637 0.18905585327835 32.065 > 8 49 S 0.25248608574345 0.33380313058363 0.56094414672165 32.065 > 1 50 S 0.75248608574345 0.33380313058363 0.56094414672165 32.065 > 1 51 S 0.12748608574345 0.08380313058363 0.68905585327835 32.065 > 2 52 S 0.62748608574345 0.08380313058363 0.68905585327835 32.065 > 2 53 S 0.12748608574345 0.41619686941637 0.81094414672165 32.065 > 3 54 S 0.62748608574345 0.41619686941637 0.81094414672165 32.065 > 3 55 S 0.12251391425655 0.08380313058363 0.81094414672165 32.065 > 4 56 S 0.62251391425655 0.08380313058363 0.81094414672165 32.065 > 4 57 S 0.25248608574345 0.16619686941637 0.93905585327835 32.065 > 5 58 S 0.75248608574345 0.16619686941637 0.93905585327835 32.065 > 5 59 S 0.49751391425655 0.33380313058363 0.93905585327835 32.065 > 6 60 S 0.99751391425655 0.33380313058363 0.93905585327835 32.065 > 6 61 S 0.49751391425655 0.16619686941637 0.56094414672165 32.065 > 7 62 S 0.99751391425655 0.16619686941637 0.56094414672165 32.065 > 7 63 S 0.12251391425655 0.41619686941637 0.68905585327835 32.065 > 8 64 S 0.62251391425655 0.41619686941637 0.68905585327835 32.065 > 8 *65 K 0.25000000000000 0.00000000000000 0.57718981002793 39.098 > 9 66 K 0.75000000000000 0.00000000000000 0.57718981002793 39.098 > 9 67 K 0.12500000000000 0.75000000000000 0.82718981002793 39.098 > 10 68 K 0.62500000000000 0.75000000000000 0.82718981002793 39.098 > 10 69 K 0.12500000000000 0.75000000000000 0.67281018997207 39.098 > 11 70 K 0.62500000000000 0.75000000000000 0.67281018997207 39.098 > 11 71 K 0.00000000000000 0.00000000000000 0.92281018997207 39.098 > 12 72 K 0.50000000000000 0.00000000000000 0.92281018997207 39.098 > 12 73 K 0.25000000000000 0.50000000000000 0.07718981002793 39.098 > 9 74 K 0.75000000000000 0.50000000000000 0.07718981002793 39.098 > 9 75 K 0.12500000000000 0.25000000000000 0.32718981002793 39.098 > 10 76 K 0.62500000000000 0.25000000000000 0.32718981002793 39.098 > 10 77 K 0.12500000000000 0.25000000000000 0.17281018997207 39.098 > 11 78 K 0.62500000000000 0.25000000000000 0.17281018997207 39.098 > 11 79 K 0.00000000000000 0.50000000000000 0.42281018997207 39.098 > 12 80 K 0.50000000000000 0.50000000000000 0.42281018997207 39.098 > 12 81 K 0.00000000000000 0.00000000000000 0.07718981002793 39.098 > 9 82 K 0.50000000000000 0.00000000000000 0.07718981002793 39.098 > 9 83 K 0.37500000000000 0.75000000000000 0.32718981002793 39.098 > 10 84 K 0.87500000000000 0.75000000000000 0.32718981002793 39.098 > 10 85 K 0.37500000000000 0.75000000000000 0.17281018997207 39.098 > 11 86 K 0.87500000000000 0.75000000000000 0.17281018997207 39.098 > 11 87 K 0.25000000000000 0.00000000000000 0.42281018997207 39.098 > 12 88 K 0.75000000000000 0.00000000000000 0.42281018997207 39.098 > 12 89 K 0.00000000000000 0.50000000000000 0.57718981002793 39.098 > 9 90 K 0.50000000000000 0.50000000000000 0.57718981002793 39.098 > 9 91 K 0.37500000000000 0.25000000000000 0.82718981002793 39.098 > 10 92 K 0.87500000000000 0.25000000000000 0.82718981002793 39.098 > 10 93 K 0.37500000000000 0.25000000000000 0.67281018997207 39.098 > 11 94 K 0.87500000000000 0.25000000000000 0.67281018997207 39.098 > 11 95 K 0.25000000000000 0.50000000000000 0.92281018997207 39.098 > 12 96 K 0.75000000000000 0.50000000000000 0.92281018997207 39.098 > 12 *97 Pd 0.25000000000000 0.00000000000000 0.75085972676278 106.420 > 13 98 Pd 0.75000000000000 0.00000000000000 0.75085972676278 106.420 > 13 99 Pd 0.37500000000000 0.75000000000000 0.50085972676278 106.420 > 14 100 Pd 0.87500000000000 0.75000000000000 0.50085972676278 106.420 > 14 101 Pd 0.37500000000000 0.75000000000000 0.99914027323722 106.420 > 15 102 Pd 0.87500000000000 0.75000000000000 0.99914027323722 106.420 > 15 *103 Pd 0.25000000000000 0.00000000000000 0.00000000000000 106.420 > 16 104 Pd 0.75000000000000 0.00000000000000 0.00000000000000 106.420 > 16 105 Pd 0.37500000000000 0.75000000000000 0.75000000000000 106.420 > 17 106 Pd 0.87500000000000 0.75000000000000 0.75000000000000 106.420 > 17 107 Pd 0.00000000000000 0.00000000000000 0.74914027323722 106.420 > 18 108 Pd 0.50000000000000 0.00000000000000 0.74914027323722 106.420 > 18 109 Pd 0.25000000000000 0.50000000000000 0.25085972676278 106.420 > 13 110 Pd 0.75000000000000 0.50000000000000 0.25085972676278 106.420 > 13 111 Pd 0.37500000000000 0.25000000000000 0.00085972676278 106.420 > 14 112 Pd 0.87500000000000 0.25000000000000 0.00085972676278 106.420 > 14 113 Pd 0.37500000000000 0.25000000000000 0.49914027323722 106.420 > 15 114 Pd 0.87500000000000 0.25000000000000 0.49914027323722 106.420 > 15 115 Pd 0.25000000000000 0.50000000000000 0.50000000000000 106.420 > 16 116 Pd 0.75000000000000 0.50000000000000 0.50000000000000 106.420 > 16 117 Pd 0.37500000000000 0.25000000000000 0.25000000000000 106.420 > 17 118 Pd 0.87500000000000 0.25000000000000 0.25000000000000 106.420 > 17 119 Pd 0.00000000000000 0.50000000000000 0.24914027323722 106.420 > 18 120 Pd 0.50000000000000 0.50000000000000 0.24914027323722 106.420 > 18 121 Pd 0.00000000000000 0.00000000000000 0.25085972676278 106.420 > 13 122 Pd 0.50000000000000 0.00000000000000 0.25085972676278 106.420 > 13 123 Pd 0.12500000000000 0.75000000000000 0.00085972676278 106.420 > 14 124 Pd 0.62500000000000 0.75000000000000 0.00085972676278 106.420 > 14 125 Pd 0.12500000000000 0.75000000000000 0.49914027323722 106.420 > 15 126 Pd 0.62500000000000 0.75000000000000 0.49914027323722 106.420 > 15 127 Pd 0.00000000000000 0.00000000000000 0.50000000000000 106.420 > 16 128 Pd 0.50000000000000 0.00000000000000 0.50000000000000 106.420 > 16 129 Pd 0.12500000000000 0.75000000000000 0.25000000000000 106.420 > 17 130 Pd 0.62500000000000 0.75000000000000 0.25000000000000 106.420 > 17 131 Pd 0.25000000000000 0.00000000000000 0.24914027323722 106.420 > 18 132 Pd 0.75000000000000 0.00000000000000 0.24914027323722 106.420 > 18 133 Pd 0.00000000000000 0.50000000000000 0.75085972676278 106.420 > 13 134 Pd 0.50000000000000 0.50000000000000 0.75085972676278 106.420 > 13 135 Pd 0.12500000000000 0.25000000000000 0.50085972676278 106.420 > 14 136 Pd 0.62500000000000 0.25000000000000 0.50085972676278 106.420 > 14 137 Pd 0.12500000000000 0.25000000000000 0.99914027323722 106.420 > 15 138 Pd 0.62500000000000 0.25000000000000 0.99914027323722 106.420 > 15 139 Pd 0.00000000000000 0.50000000000000 0.00000000000000 106.420 > 16 140 Pd 0.50000000000000 0.50000000000000 0.00000000000000 106.420 > 16 141 Pd 0.12500000000000 0.25000000000000 0.75000000000000 106.420 > 17 142 Pd 0.62500000000000 0.25000000000000 0.75000000000000 106.420 > 17 143 Pd 0.25000000000000 0.50000000000000 0.74914027323722 106.420 > 18 144 Pd 0.75000000000000 0.50000000000000 0.74914027323722 106.420 > 18 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.9098424 0.0000000 0.0000000 0.0000000 7.8037899 0.0000000 0.0000000 0.0000000 5.6819346 -------------------------- Born effective charges -------------------------- 1 S -0.9173864 0.0158204 -0.1214303 0.0145139 -0.8758475 0.0757252 -0.2067616 0.0178089 -1.1051200 2 S -0.9173864 0.0158204 0.1214303 0.0145139 -0.8758475 -0.0757252 0.2067616 -0.0178089 -1.1051200 3 S -0.9173864 -0.0158204 -0.1214303 -0.0145139 -0.8758475 -0.0757252 -0.2067616 -0.0178089 -1.1051200 4 S -0.9173864 -0.0158204 0.1214303 -0.0145139 -0.8758475 0.0757252 0.2067616 0.0178089 -1.1051200 5 S -0.9173864 -0.0158204 0.1214303 -0.0145139 -0.8758475 0.0757252 0.2067616 0.0178089 -1.1051200 6 S -0.9173864 -0.0158204 -0.1214303 -0.0145139 -0.8758475 -0.0757252 -0.2067616 -0.0178089 -1.1051200 7 S -0.9173864 0.0158204 0.1214303 0.0145139 -0.8758475 -0.0757252 0.2067616 -0.0178089 -1.1051200 8 S -0.9173864 0.0158204 -0.1214303 0.0145139 -0.8758475 0.0757252 -0.2067616 0.0178089 -1.1051200 9 K 1.4968261 -0.0793228 0.0000000 -0.0852387 1.4039350 0.0000000 0.0000000 0.0000000 1.3490365 10 K 1.4968261 0.0793228 0.0000000 0.0852387 1.4039350 0.0000000 0.0000000 0.0000000 1.3490365 11 K 1.4968261 -0.0793228 0.0000000 -0.0852387 1.4039350 0.0000000 0.0000000 0.0000000 1.3490365 12 K 1.4968261 0.0793228 0.0000000 0.0852387 1.4039350 0.0000000 0.0000000 0.0000000 1.3490365 13 Pd 0.6199891 -0.6154943 0.0000000 -0.6176181 -0.1293942 0.0000000 0.0000000 0.0000000 0.5592005 14 Pd 0.6199891 0.6154943 0.0000000 0.6176181 -0.1293942 0.0000000 0.0000000 0.0000000 0.5592005 15 Pd 0.6199891 -0.6154943 0.0000000 -0.6176181 -0.1293942 0.0000000 0.0000000 0.0000000 0.5592005 16 Pd -0.5640847 0.0000000 0.0000000 0.0000000 0.9543083 0.0000000 0.0000000 0.0000000 0.6040059 17 Pd -0.5640847 0.0000000 0.0000000 0.0000000 0.9543083 0.0000000 0.0000000 0.0000000 0.6040059 18 Pd 0.6199891 0.6154943 0.0000000 0.6176181 -0.1293942 0.0000000 0.0000000 0.0000000 0.5592005 ---------------------------------------------------------------------------- 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: 14850/14850 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1580 Number of blocks in projector: 1580 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: 346 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 300 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 298 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 212 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 212 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 212 Use standard eigh solver. Tree of FC basis block matrices: - (1580, 1558), data: False |-- (212, 208), data: True |-- (212, 208), data: True |-- (212, 208), data: True |-- (298, 296), data: True |-- (300, 298), data: True |-- (346, 340), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.009 Solver_block: 100 / 320 - Time: 2.921 Solver_block: 200 / 320 - Time: 2.943 Solver_block: 300 / 320 - Time: 2.948 Solver_block: 320 / 320 - Time: 0.684 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 9.542 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 432/432 Permutation basis: 14850/14850 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1580 Number of blocks in projector: 1580 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: 346 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 300 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 298 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 212 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 212 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 212 Use standard eigh solver. Tree of FC basis block matrices: - (1580, 1558), data: False |-- (212, 208), data: True |-- (212, 208), data: True |-- (212, 208), data: True |-- (298, 296), data: True |-- (300, 298), data: True |-- (346, 340), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 23:37:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:37:16]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ] Spacegroup: Fddd (70) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 0.000000000000000 5.306184430000000 12.567338229999999 b 3.039469200000000 0.000000000000000 12.567338229999999 c 3.039469200000000 5.306184430000000 0.000000000000000 Atomic positions (fractional): 1 S 0.38977510581837 0.73211318762492 0.27783115534889 32.065 2 S 0.51788681237508 0.86022489418163 0.64971944879218 32.065 3 S 0.97216884465111 0.64971944879218 0.86022489418163 32.065 4 S 0.64971944879218 0.97216884465111 0.51788681237508 32.065 5 S 0.60028055120782 0.27783115534889 0.73211318762492 32.065 6 S 0.27783115534889 0.60028055120782 0.38977510581837 32.065 7 S 0.73211318762492 0.38977510581837 0.60028055120782 32.065 8 S 0.86022489418163 0.51788681237508 0.97216884465111 32.065 9 K 0.07718981002793 0.07718981002793 0.92281018997207 39.098 10 K 0.32718981002793 0.32718981002793 0.17281018997207 39.098 11 K 0.17281018997207 0.17281018997207 0.32718981002793 39.098 12 K 0.92281018997207 0.92281018997207 0.07718981002793 39.098 13 Pd 0.25085972676278 0.25085972676278 0.74914027323722 106.420 14 Pd 0.50085972676278 0.50085972676278 0.99914027323722 106.420 15 Pd 0.99914027323722 0.99914027323722 0.50085972676278 106.420 16 Pd 0.50000000000000 0.50000000000000 0.50000000000000 106.420 17 Pd 0.75000000000000 0.75000000000000 0.75000000000000 106.420 18 Pd 0.74914027323722 0.74914027323722 0.25085972676278 106.420 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.157876800000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.612368860000000 0.000000000000000 c 0.000000000000000 0.000000000000000 25.134676459999998 Atomic positions (fractional): 1 S 0.00248608574345 0.83380313058363 0.56094414672165 32.065 > 1 2 S 0.50248608574345 0.83380313058363 0.56094414672165 32.065 > 1 3 S 0.37748608574345 0.58380313058363 0.68905585327835 32.065 > 3 4 S 0.87748608574345 0.58380313058363 0.68905585327835 32.065 > 3 5 S 0.37748608574345 0.91619686941637 0.81094414672165 32.065 > 5 6 S 0.87748608574345 0.91619686941637 0.81094414672165 32.065 > 5 7 S 0.37251391425655 0.58380313058363 0.81094414672165 32.065 > 7 8 S 0.87251391425655 0.58380313058363 0.81094414672165 32.065 > 7 9 S 0.00248608574345 0.66619686941637 0.93905585327835 32.065 > 9 10 S 0.50248608574345 0.66619686941637 0.93905585327835 32.065 > 9 11 S 0.24751391425655 0.83380313058363 0.93905585327835 32.065 > 11 12 S 0.74751391425655 0.83380313058363 0.93905585327835 32.065 > 11 13 S 0.24751391425655 0.66619686941637 0.56094414672165 32.065 > 13 14 S 0.74751391425655 0.66619686941637 0.56094414672165 32.065 > 13 15 S 0.37251391425655 0.91619686941637 0.68905585327835 32.065 > 15 16 S 0.87251391425655 0.91619686941637 0.68905585327835 32.065 > 15 17 S 0.00248608574345 0.33380313058363 0.06094414672165 32.065 > 1 18 S 0.50248608574345 0.33380313058363 0.06094414672165 32.065 > 1 19 S 0.37748608574345 0.08380313058363 0.18905585327835 32.065 > 3 20 S 0.87748608574345 0.08380313058363 0.18905585327835 32.065 > 3 21 S 0.37748608574345 0.41619686941637 0.31094414672165 32.065 > 5 22 S 0.87748608574345 0.41619686941637 0.31094414672165 32.065 > 5 23 S 0.37251391425655 0.08380313058363 0.31094414672165 32.065 > 7 24 S 0.87251391425655 0.08380313058363 0.31094414672165 32.065 > 7 25 S 0.00248608574345 0.16619686941637 0.43905585327835 32.065 > 9 26 S 0.50248608574345 0.16619686941637 0.43905585327835 32.065 > 9 27 S 0.24751391425655 0.33380313058363 0.43905585327835 32.065 > 11 28 S 0.74751391425655 0.33380313058363 0.43905585327835 32.065 > 11 29 S 0.24751391425655 0.16619686941637 0.06094414672165 32.065 > 13 30 S 0.74751391425655 0.16619686941637 0.06094414672165 32.065 > 13 31 S 0.37251391425655 0.41619686941637 0.18905585327835 32.065 > 15 32 S 0.87251391425655 0.41619686941637 0.18905585327835 32.065 > 15 33 S 0.25248608574345 0.83380313058363 0.06094414672165 32.065 > 1 34 S 0.75248608574345 0.83380313058363 0.06094414672165 32.065 > 1 35 S 0.12748608574345 0.58380313058363 0.18905585327835 32.065 > 3 36 S 0.62748608574345 0.58380313058363 0.18905585327835 32.065 > 3 37 S 0.12748608574345 0.91619686941637 0.31094414672165 32.065 > 5 38 S 0.62748608574345 0.91619686941637 0.31094414672165 32.065 > 5 39 S 0.12251391425655 0.58380313058363 0.31094414672165 32.065 > 7 40 S 0.62251391425655 0.58380313058363 0.31094414672165 32.065 > 7 41 S 0.25248608574345 0.66619686941637 0.43905585327835 32.065 > 9 42 S 0.75248608574345 0.66619686941637 0.43905585327835 32.065 > 9 43 S 0.49751391425655 0.83380313058363 0.43905585327835 32.065 > 11 44 S 0.99751391425655 0.83380313058363 0.43905585327835 32.065 > 11 45 S 0.49751391425655 0.66619686941637 0.06094414672165 32.065 > 13 46 S 0.99751391425655 0.66619686941637 0.06094414672165 32.065 > 13 47 S 0.12251391425655 0.91619686941637 0.18905585327835 32.065 > 15 48 S 0.62251391425655 0.91619686941637 0.18905585327835 32.065 > 15 49 S 0.25248608574345 0.33380313058363 0.56094414672165 32.065 > 1 50 S 0.75248608574345 0.33380313058363 0.56094414672165 32.065 > 1 51 S 0.12748608574345 0.08380313058363 0.68905585327835 32.065 > 3 52 S 0.62748608574345 0.08380313058363 0.68905585327835 32.065 > 3 53 S 0.12748608574345 0.41619686941637 0.81094414672165 32.065 > 5 54 S 0.62748608574345 0.41619686941637 0.81094414672165 32.065 > 5 55 S 0.12251391425655 0.08380313058363 0.81094414672165 32.065 > 7 56 S 0.62251391425655 0.08380313058363 0.81094414672165 32.065 > 7 57 S 0.25248608574345 0.16619686941637 0.93905585327835 32.065 > 9 58 S 0.75248608574345 0.16619686941637 0.93905585327835 32.065 > 9 59 S 0.49751391425655 0.33380313058363 0.93905585327835 32.065 > 11 60 S 0.99751391425655 0.33380313058363 0.93905585327835 32.065 > 11 61 S 0.49751391425655 0.16619686941637 0.56094414672165 32.065 > 13 62 S 0.99751391425655 0.16619686941637 0.56094414672165 32.065 > 13 63 S 0.12251391425655 0.41619686941637 0.68905585327835 32.065 > 15 64 S 0.62251391425655 0.41619686941637 0.68905585327835 32.065 > 15 65 K 0.25000000000000 0.00000000000000 0.57718981002793 39.098 > 65 66 K 0.75000000000000 0.00000000000000 0.57718981002793 39.098 > 65 67 K 0.12500000000000 0.75000000000000 0.82718981002793 39.098 > 67 68 K 0.62500000000000 0.75000000000000 0.82718981002793 39.098 > 67 69 K 0.12500000000000 0.75000000000000 0.67281018997207 39.098 > 69 70 K 0.62500000000000 0.75000000000000 0.67281018997207 39.098 > 69 71 K 0.00000000000000 0.00000000000000 0.92281018997207 39.098 > 71 72 K 0.50000000000000 0.00000000000000 0.92281018997207 39.098 > 71 73 K 0.25000000000000 0.50000000000000 0.07718981002793 39.098 > 65 74 K 0.75000000000000 0.50000000000000 0.07718981002793 39.098 > 65 75 K 0.12500000000000 0.25000000000000 0.32718981002793 39.098 > 67 76 K 0.62500000000000 0.25000000000000 0.32718981002793 39.098 > 67 77 K 0.12500000000000 0.25000000000000 0.17281018997207 39.098 > 69 78 K 0.62500000000000 0.25000000000000 0.17281018997207 39.098 > 69 79 K 0.00000000000000 0.50000000000000 0.42281018997207 39.098 > 71 80 K 0.50000000000000 0.50000000000000 0.42281018997207 39.098 > 71 81 K 0.00000000000000 0.00000000000000 0.07718981002793 39.098 > 65 82 K 0.50000000000000 0.00000000000000 0.07718981002793 39.098 > 65 83 K 0.37500000000000 0.75000000000000 0.32718981002793 39.098 > 67 84 K 0.87500000000000 0.75000000000000 0.32718981002793 39.098 > 67 85 K 0.37500000000000 0.75000000000000 0.17281018997207 39.098 > 69 86 K 0.87500000000000 0.75000000000000 0.17281018997207 39.098 > 69 87 K 0.25000000000000 0.00000000000000 0.42281018997207 39.098 > 71 88 K 0.75000000000000 0.00000000000000 0.42281018997207 39.098 > 71 89 K 0.00000000000000 0.50000000000000 0.57718981002793 39.098 > 65 90 K 0.50000000000000 0.50000000000000 0.57718981002793 39.098 > 65 91 K 0.37500000000000 0.25000000000000 0.82718981002793 39.098 > 67 92 K 0.87500000000000 0.25000000000000 0.82718981002793 39.098 > 67 93 K 0.37500000000000 0.25000000000000 0.67281018997207 39.098 > 69 94 K 0.87500000000000 0.25000000000000 0.67281018997207 39.098 > 69 95 K 0.25000000000000 0.50000000000000 0.92281018997207 39.098 > 71 96 K 0.75000000000000 0.50000000000000 0.92281018997207 39.098 > 71 97 Pd 0.25000000000000 0.00000000000000 0.75085972676278 106.420 > 97 98 Pd 0.75000000000000 0.00000000000000 0.75085972676278 106.420 > 97 99 Pd 0.37500000000000 0.75000000000000 0.50085972676278 106.420 > 99 100 Pd 0.87500000000000 0.75000000000000 0.50085972676278 106.420 > 99 101 Pd 0.37500000000000 0.75000000000000 0.99914027323722 106.420 > 101 102 Pd 0.87500000000000 0.75000000000000 0.99914027323722 106.420 > 101 103 Pd 0.25000000000000 0.00000000000000 0.00000000000000 106.420 > 103 104 Pd 0.75000000000000 0.00000000000000 0.00000000000000 106.420 > 103 105 Pd 0.37500000000000 0.75000000000000 0.75000000000000 106.420 > 105 106 Pd 0.87500000000000 0.75000000000000 0.75000000000000 106.420 > 105 107 Pd 0.00000000000000 0.00000000000000 0.74914027323722 106.420 > 107 108 Pd 0.50000000000000 0.00000000000000 0.74914027323722 106.420 > 107 109 Pd 0.25000000000000 0.50000000000000 0.25085972676278 106.420 > 97 110 Pd 0.75000000000000 0.50000000000000 0.25085972676278 106.420 > 97 111 Pd 0.37500000000000 0.25000000000000 0.00085972676278 106.420 > 99 112 Pd 0.87500000000000 0.25000000000000 0.00085972676278 106.420 > 99 113 Pd 0.37500000000000 0.25000000000000 0.49914027323722 106.420 > 101 114 Pd 0.87500000000000 0.25000000000000 0.49914027323722 106.420 > 101 115 Pd 0.25000000000000 0.50000000000000 0.50000000000000 106.420 > 103 116 Pd 0.75000000000000 0.50000000000000 0.50000000000000 106.420 > 103 117 Pd 0.37500000000000 0.25000000000000 0.25000000000000 106.420 > 105 118 Pd 0.87500000000000 0.25000000000000 0.25000000000000 106.420 > 105 119 Pd 0.00000000000000 0.50000000000000 0.24914027323722 106.420 > 107 120 Pd 0.50000000000000 0.50000000000000 0.24914027323722 106.420 > 107 121 Pd 0.00000000000000 0.00000000000000 0.25085972676278 106.420 > 97 122 Pd 0.50000000000000 0.00000000000000 0.25085972676278 106.420 > 97 123 Pd 0.12500000000000 0.75000000000000 0.00085972676278 106.420 > 99 124 Pd 0.62500000000000 0.75000000000000 0.00085972676278 106.420 > 99 125 Pd 0.12500000000000 0.75000000000000 0.49914027323722 106.420 > 101 126 Pd 0.62500000000000 0.75000000000000 0.49914027323722 106.420 > 101 127 Pd 0.00000000000000 0.00000000000000 0.50000000000000 106.420 > 103 128 Pd 0.50000000000000 0.00000000000000 0.50000000000000 106.420 > 103 129 Pd 0.12500000000000 0.75000000000000 0.25000000000000 106.420 > 105 130 Pd 0.62500000000000 0.75000000000000 0.25000000000000 106.420 > 105 131 Pd 0.25000000000000 0.00000000000000 0.24914027323722 106.420 > 107 132 Pd 0.75000000000000 0.00000000000000 0.24914027323722 106.420 > 107 133 Pd 0.00000000000000 0.50000000000000 0.75085972676278 106.420 > 97 134 Pd 0.50000000000000 0.50000000000000 0.75085972676278 106.420 > 97 135 Pd 0.12500000000000 0.25000000000000 0.50085972676278 106.420 > 99 136 Pd 0.62500000000000 0.25000000000000 0.50085972676278 106.420 > 99 137 Pd 0.12500000000000 0.25000000000000 0.99914027323722 106.420 > 101 138 Pd 0.62500000000000 0.25000000000000 0.99914027323722 106.420 > 101 139 Pd 0.00000000000000 0.50000000000000 0.00000000000000 106.420 > 103 140 Pd 0.50000000000000 0.50000000000000 0.00000000000000 106.420 > 103 141 Pd 0.12500000000000 0.25000000000000 0.75000000000000 106.420 > 105 142 Pd 0.62500000000000 0.25000000000000 0.75000000000000 106.420 > 105 143 Pd 0.25000000000000 0.50000000000000 0.74914027323722 106.420 > 107 144 Pd 0.75000000000000 0.50000000000000 0.74914027323722 106.420 > 107 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.9098424 0.0000000 0.0000000 0.0000000 7.8037899 0.0000000 0.0000000 0.0000000 5.6819346 -------------------------- Born effective charges -------------------------- 1 S -0.9173864 0.0158204 -0.1214303 0.0145139 -0.8758475 0.0757252 -0.2067616 0.0178089 -1.1051200 2 S -0.9173864 0.0158204 0.1214303 0.0145139 -0.8758475 -0.0757252 0.2067616 -0.0178089 -1.1051200 3 S -0.9173864 -0.0158204 -0.1214303 -0.0145139 -0.8758475 -0.0757252 -0.2067616 -0.0178089 -1.1051200 4 S -0.9173864 -0.0158204 0.1214303 -0.0145139 -0.8758475 0.0757252 0.2067616 0.0178089 -1.1051200 5 S -0.9173864 -0.0158204 0.1214303 -0.0145139 -0.8758475 0.0757252 0.2067616 0.0178089 -1.1051200 6 S -0.9173864 -0.0158204 -0.1214303 -0.0145139 -0.8758475 -0.0757252 -0.2067616 -0.0178089 -1.1051200 7 S -0.9173864 0.0158204 0.1214303 0.0145139 -0.8758475 -0.0757252 0.2067616 -0.0178089 -1.1051200 8 S -0.9173864 0.0158204 -0.1214303 0.0145139 -0.8758475 0.0757252 -0.2067616 0.0178089 -1.1051200 9 K 1.4968261 -0.0793228 0.0000000 -0.0852387 1.4039350 0.0000000 0.0000000 0.0000000 1.3490365 10 K 1.4968261 0.0793228 0.0000000 0.0852387 1.4039350 0.0000000 0.0000000 0.0000000 1.3490365 11 K 1.4968261 -0.0793228 0.0000000 -0.0852387 1.4039350 0.0000000 0.0000000 0.0000000 1.3490365 12 K 1.4968261 0.0793228 0.0000000 0.0852387 1.4039350 0.0000000 0.0000000 0.0000000 1.3490365 13 Pd 0.6199891 -0.6154943 0.0000000 -0.6176181 -0.1293942 0.0000000 0.0000000 0.0000000 0.5592005 14 Pd 0.6199891 0.6154943 0.0000000 0.6176181 -0.1293942 0.0000000 0.0000000 0.0000000 0.5592005 15 Pd 0.6199891 -0.6154943 0.0000000 -0.6176181 -0.1293942 0.0000000 0.0000000 0.0000000 0.5592005 16 Pd -0.5640847 0.0000000 0.0000000 0.0000000 0.9543083 0.0000000 0.0000000 0.0000000 0.6040059 17 Pd -0.5640847 0.0000000 0.0000000 0.0000000 0.9543083 0.0000000 0.0000000 0.0000000 0.6040059 18 Pd 0.6199891 0.6154943 0.0000000 0.6176181 -0.1293942 0.0000000 0.0000000 0.0000000 0.5592005 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 103, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (zzz) 0.00000001 (zzz) 0.00000001 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yx) 0.00000000 (yx) 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 23:37:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:37:40]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ] Spacegroup: Fddd (70) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 0.000000000000000 5.306184430000000 12.567338229999999 b 3.039469200000000 0.000000000000000 12.567338229999999 c 3.039469200000000 5.306184430000000 0.000000000000000 Atomic positions (fractional): 1 S 0.38977510581837 0.73211318762492 0.27783115534889 32.065 2 S 0.51788681237508 0.86022489418163 0.64971944879218 32.065 3 S 0.97216884465111 0.64971944879218 0.86022489418163 32.065 4 S 0.64971944879218 0.97216884465111 0.51788681237508 32.065 5 S 0.60028055120782 0.27783115534889 0.73211318762492 32.065 6 S 0.27783115534889 0.60028055120782 0.38977510581837 32.065 7 S 0.73211318762492 0.38977510581837 0.60028055120782 32.065 8 S 0.86022489418163 0.51788681237508 0.97216884465111 32.065 9 K 0.07718981002793 0.07718981002793 0.92281018997207 39.098 10 K 0.32718981002793 0.32718981002793 0.17281018997207 39.098 11 K 0.17281018997207 0.17281018997207 0.32718981002793 39.098 12 K 0.92281018997207 0.92281018997207 0.07718981002793 39.098 13 Pd 0.25085972676278 0.25085972676278 0.74914027323722 106.420 14 Pd 0.50085972676278 0.50085972676278 0.99914027323722 106.420 15 Pd 0.99914027323722 0.99914027323722 0.50085972676278 106.420 16 Pd 0.50000000000000 0.50000000000000 0.50000000000000 106.420 17 Pd 0.75000000000000 0.75000000000000 0.75000000000000 106.420 18 Pd 0.74914027323722 0.74914027323722 0.25085972676278 106.420 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.157876800000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.612368860000000 0.000000000000000 c 0.000000000000000 0.000000000000000 25.134676459999998 Atomic positions (fractional): 1 S 0.00248608574345 0.83380313058363 0.56094414672165 32.065 > 1 2 S 0.50248608574345 0.83380313058363 0.56094414672165 32.065 > 1 3 S 0.37748608574345 0.58380313058363 0.68905585327835 32.065 > 3 4 S 0.87748608574345 0.58380313058363 0.68905585327835 32.065 > 3 5 S 0.37748608574345 0.91619686941637 0.81094414672165 32.065 > 5 6 S 0.87748608574345 0.91619686941637 0.81094414672165 32.065 > 5 7 S 0.37251391425655 0.58380313058363 0.81094414672165 32.065 > 7 8 S 0.87251391425655 0.58380313058363 0.81094414672165 32.065 > 7 9 S 0.00248608574345 0.66619686941637 0.93905585327835 32.065 > 9 10 S 0.50248608574345 0.66619686941637 0.93905585327835 32.065 > 9 11 S 0.24751391425655 0.83380313058363 0.93905585327835 32.065 > 11 12 S 0.74751391425655 0.83380313058363 0.93905585327835 32.065 > 11 13 S 0.24751391425655 0.66619686941637 0.56094414672165 32.065 > 13 14 S 0.74751391425655 0.66619686941637 0.56094414672165 32.065 > 13 15 S 0.37251391425655 0.91619686941637 0.68905585327835 32.065 > 15 16 S 0.87251391425655 0.91619686941637 0.68905585327835 32.065 > 15 17 S 0.00248608574345 0.33380313058363 0.06094414672165 32.065 > 1 18 S 0.50248608574345 0.33380313058363 0.06094414672165 32.065 > 1 19 S 0.37748608574345 0.08380313058363 0.18905585327835 32.065 > 3 20 S 0.87748608574345 0.08380313058363 0.18905585327835 32.065 > 3 21 S 0.37748608574345 0.41619686941637 0.31094414672165 32.065 > 5 22 S 0.87748608574345 0.41619686941637 0.31094414672165 32.065 > 5 23 S 0.37251391425655 0.08380313058363 0.31094414672165 32.065 > 7 24 S 0.87251391425655 0.08380313058363 0.31094414672165 32.065 > 7 25 S 0.00248608574345 0.16619686941637 0.43905585327835 32.065 > 9 26 S 0.50248608574345 0.16619686941637 0.43905585327835 32.065 > 9 27 S 0.24751391425655 0.33380313058363 0.43905585327835 32.065 > 11 28 S 0.74751391425655 0.33380313058363 0.43905585327835 32.065 > 11 29 S 0.24751391425655 0.16619686941637 0.06094414672165 32.065 > 13 30 S 0.74751391425655 0.16619686941637 0.06094414672165 32.065 > 13 31 S 0.37251391425655 0.41619686941637 0.18905585327835 32.065 > 15 32 S 0.87251391425655 0.41619686941637 0.18905585327835 32.065 > 15 33 S 0.25248608574345 0.83380313058363 0.06094414672165 32.065 > 1 34 S 0.75248608574345 0.83380313058363 0.06094414672165 32.065 > 1 35 S 0.12748608574345 0.58380313058363 0.18905585327835 32.065 > 3 36 S 0.62748608574345 0.58380313058363 0.18905585327835 32.065 > 3 37 S 0.12748608574345 0.91619686941637 0.31094414672165 32.065 > 5 38 S 0.62748608574345 0.91619686941637 0.31094414672165 32.065 > 5 39 S 0.12251391425655 0.58380313058363 0.31094414672165 32.065 > 7 40 S 0.62251391425655 0.58380313058363 0.31094414672165 32.065 > 7 41 S 0.25248608574345 0.66619686941637 0.43905585327835 32.065 > 9 42 S 0.75248608574345 0.66619686941637 0.43905585327835 32.065 > 9 43 S 0.49751391425655 0.83380313058363 0.43905585327835 32.065 > 11 44 S 0.99751391425655 0.83380313058363 0.43905585327835 32.065 > 11 45 S 0.49751391425655 0.66619686941637 0.06094414672165 32.065 > 13 46 S 0.99751391425655 0.66619686941637 0.06094414672165 32.065 > 13 47 S 0.12251391425655 0.91619686941637 0.18905585327835 32.065 > 15 48 S 0.62251391425655 0.91619686941637 0.18905585327835 32.065 > 15 49 S 0.25248608574345 0.33380313058363 0.56094414672165 32.065 > 1 50 S 0.75248608574345 0.33380313058363 0.56094414672165 32.065 > 1 51 S 0.12748608574345 0.08380313058363 0.68905585327835 32.065 > 3 52 S 0.62748608574345 0.08380313058363 0.68905585327835 32.065 > 3 53 S 0.12748608574345 0.41619686941637 0.81094414672165 32.065 > 5 54 S 0.62748608574345 0.41619686941637 0.81094414672165 32.065 > 5 55 S 0.12251391425655 0.08380313058363 0.81094414672165 32.065 > 7 56 S 0.62251391425655 0.08380313058363 0.81094414672165 32.065 > 7 57 S 0.25248608574345 0.16619686941637 0.93905585327835 32.065 > 9 58 S 0.75248608574345 0.16619686941637 0.93905585327835 32.065 > 9 59 S 0.49751391425655 0.33380313058363 0.93905585327835 32.065 > 11 60 S 0.99751391425655 0.33380313058363 0.93905585327835 32.065 > 11 61 S 0.49751391425655 0.16619686941637 0.56094414672165 32.065 > 13 62 S 0.99751391425655 0.16619686941637 0.56094414672165 32.065 > 13 63 S 0.12251391425655 0.41619686941637 0.68905585327835 32.065 > 15 64 S 0.62251391425655 0.41619686941637 0.68905585327835 32.065 > 15 65 K 0.25000000000000 0.00000000000000 0.57718981002793 39.098 > 65 66 K 0.75000000000000 0.00000000000000 0.57718981002793 39.098 > 65 67 K 0.12500000000000 0.75000000000000 0.82718981002793 39.098 > 67 68 K 0.62500000000000 0.75000000000000 0.82718981002793 39.098 > 67 69 K 0.12500000000000 0.75000000000000 0.67281018997207 39.098 > 69 70 K 0.62500000000000 0.75000000000000 0.67281018997207 39.098 > 69 71 K 0.00000000000000 0.00000000000000 0.92281018997207 39.098 > 71 72 K 0.50000000000000 0.00000000000000 0.92281018997207 39.098 > 71 73 K 0.25000000000000 0.50000000000000 0.07718981002793 39.098 > 65 74 K 0.75000000000000 0.50000000000000 0.07718981002793 39.098 > 65 75 K 0.12500000000000 0.25000000000000 0.32718981002793 39.098 > 67 76 K 0.62500000000000 0.25000000000000 0.32718981002793 39.098 > 67 77 K 0.12500000000000 0.25000000000000 0.17281018997207 39.098 > 69 78 K 0.62500000000000 0.25000000000000 0.17281018997207 39.098 > 69 79 K 0.00000000000000 0.50000000000000 0.42281018997207 39.098 > 71 80 K 0.50000000000000 0.50000000000000 0.42281018997207 39.098 > 71 81 K 0.00000000000000 0.00000000000000 0.07718981002793 39.098 > 65 82 K 0.50000000000000 0.00000000000000 0.07718981002793 39.098 > 65 83 K 0.37500000000000 0.75000000000000 0.32718981002793 39.098 > 67 84 K 0.87500000000000 0.75000000000000 0.32718981002793 39.098 > 67 85 K 0.37500000000000 0.75000000000000 0.17281018997207 39.098 > 69 86 K 0.87500000000000 0.75000000000000 0.17281018997207 39.098 > 69 87 K 0.25000000000000 0.00000000000000 0.42281018997207 39.098 > 71 88 K 0.75000000000000 0.00000000000000 0.42281018997207 39.098 > 71 89 K 0.00000000000000 0.50000000000000 0.57718981002793 39.098 > 65 90 K 0.50000000000000 0.50000000000000 0.57718981002793 39.098 > 65 91 K 0.37500000000000 0.25000000000000 0.82718981002793 39.098 > 67 92 K 0.87500000000000 0.25000000000000 0.82718981002793 39.098 > 67 93 K 0.37500000000000 0.25000000000000 0.67281018997207 39.098 > 69 94 K 0.87500000000000 0.25000000000000 0.67281018997207 39.098 > 69 95 K 0.25000000000000 0.50000000000000 0.92281018997207 39.098 > 71 96 K 0.75000000000000 0.50000000000000 0.92281018997207 39.098 > 71 97 Pd 0.25000000000000 0.00000000000000 0.75085972676278 106.420 > 97 98 Pd 0.75000000000000 0.00000000000000 0.75085972676278 106.420 > 97 99 Pd 0.37500000000000 0.75000000000000 0.50085972676278 106.420 > 99 100 Pd 0.87500000000000 0.75000000000000 0.50085972676278 106.420 > 99 101 Pd 0.37500000000000 0.75000000000000 0.99914027323722 106.420 > 101 102 Pd 0.87500000000000 0.75000000000000 0.99914027323722 106.420 > 101 103 Pd 0.25000000000000 0.00000000000000 0.00000000000000 106.420 > 103 104 Pd 0.75000000000000 0.00000000000000 0.00000000000000 106.420 > 103 105 Pd 0.37500000000000 0.75000000000000 0.75000000000000 106.420 > 105 106 Pd 0.87500000000000 0.75000000000000 0.75000000000000 106.420 > 105 107 Pd 0.00000000000000 0.00000000000000 0.74914027323722 106.420 > 107 108 Pd 0.50000000000000 0.00000000000000 0.74914027323722 106.420 > 107 109 Pd 0.25000000000000 0.50000000000000 0.25085972676278 106.420 > 97 110 Pd 0.75000000000000 0.50000000000000 0.25085972676278 106.420 > 97 111 Pd 0.37500000000000 0.25000000000000 0.00085972676278 106.420 > 99 112 Pd 0.87500000000000 0.25000000000000 0.00085972676278 106.420 > 99 113 Pd 0.37500000000000 0.25000000000000 0.49914027323722 106.420 > 101 114 Pd 0.87500000000000 0.25000000000000 0.49914027323722 106.420 > 101 115 Pd 0.25000000000000 0.50000000000000 0.50000000000000 106.420 > 103 116 Pd 0.75000000000000 0.50000000000000 0.50000000000000 106.420 > 103 117 Pd 0.37500000000000 0.25000000000000 0.25000000000000 106.420 > 105 118 Pd 0.87500000000000 0.25000000000000 0.25000000000000 106.420 > 105 119 Pd 0.00000000000000 0.50000000000000 0.24914027323722 106.420 > 107 120 Pd 0.50000000000000 0.50000000000000 0.24914027323722 106.420 > 107 121 Pd 0.00000000000000 0.00000000000000 0.25085972676278 106.420 > 97 122 Pd 0.50000000000000 0.00000000000000 0.25085972676278 106.420 > 97 123 Pd 0.12500000000000 0.75000000000000 0.00085972676278 106.420 > 99 124 Pd 0.62500000000000 0.75000000000000 0.00085972676278 106.420 > 99 125 Pd 0.12500000000000 0.75000000000000 0.49914027323722 106.420 > 101 126 Pd 0.62500000000000 0.75000000000000 0.49914027323722 106.420 > 101 127 Pd 0.00000000000000 0.00000000000000 0.50000000000000 106.420 > 103 128 Pd 0.50000000000000 0.00000000000000 0.50000000000000 106.420 > 103 129 Pd 0.12500000000000 0.75000000000000 0.25000000000000 106.420 > 105 130 Pd 0.62500000000000 0.75000000000000 0.25000000000000 106.420 > 105 131 Pd 0.25000000000000 0.00000000000000 0.24914027323722 106.420 > 107 132 Pd 0.75000000000000 0.00000000000000 0.24914027323722 106.420 > 107 133 Pd 0.00000000000000 0.50000000000000 0.75085972676278 106.420 > 97 134 Pd 0.50000000000000 0.50000000000000 0.75085972676278 106.420 > 97 135 Pd 0.12500000000000 0.25000000000000 0.50085972676278 106.420 > 99 136 Pd 0.62500000000000 0.25000000000000 0.50085972676278 106.420 > 99 137 Pd 0.12500000000000 0.25000000000000 0.99914027323722 106.420 > 101 138 Pd 0.62500000000000 0.25000000000000 0.99914027323722 106.420 > 101 139 Pd 0.00000000000000 0.50000000000000 0.00000000000000 106.420 > 103 140 Pd 0.50000000000000 0.50000000000000 0.00000000000000 106.420 > 103 141 Pd 0.12500000000000 0.25000000000000 0.75000000000000 106.420 > 105 142 Pd 0.62500000000000 0.25000000000000 0.75000000000000 106.420 > 105 143 Pd 0.25000000000000 0.50000000000000 0.74914027323722 106.420 > 107 144 Pd 0.75000000000000 0.50000000000000 0.74914027323722 106.420 > 107 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 7.9098424 0.0000000 0.0000000 0.0000000 7.8037899 0.0000000 0.0000000 0.0000000 5.6819346 -------------------------- Born effective charges -------------------------- 1 S -0.9173864 0.0158204 -0.1214303 0.0145139 -0.8758475 0.0757252 -0.2067616 0.0178089 -1.1051200 2 S -0.9173864 0.0158204 0.1214303 0.0145139 -0.8758475 -0.0757252 0.2067616 -0.0178089 -1.1051200 3 S -0.9173864 -0.0158204 -0.1214303 -0.0145139 -0.8758475 -0.0757252 -0.2067616 -0.0178089 -1.1051200 4 S -0.9173864 -0.0158204 0.1214303 -0.0145139 -0.8758475 0.0757252 0.2067616 0.0178089 -1.1051200 5 S -0.9173864 -0.0158204 0.1214303 -0.0145139 -0.8758475 0.0757252 0.2067616 0.0178089 -1.1051200 6 S -0.9173864 -0.0158204 -0.1214303 -0.0145139 -0.8758475 -0.0757252 -0.2067616 -0.0178089 -1.1051200 7 S -0.9173864 0.0158204 0.1214303 0.0145139 -0.8758475 -0.0757252 0.2067616 -0.0178089 -1.1051200 8 S -0.9173864 0.0158204 -0.1214303 0.0145139 -0.8758475 0.0757252 -0.2067616 0.0178089 -1.1051200 9 K 1.4968261 -0.0793228 0.0000000 -0.0852387 1.4039350 0.0000000 0.0000000 0.0000000 1.3490365 10 K 1.4968261 0.0793228 0.0000000 0.0852387 1.4039350 0.0000000 0.0000000 0.0000000 1.3490365 11 K 1.4968261 -0.0793228 0.0000000 -0.0852387 1.4039350 0.0000000 0.0000000 0.0000000 1.3490365 12 K 1.4968261 0.0793228 0.0000000 0.0852387 1.4039350 0.0000000 0.0000000 0.0000000 1.3490365 13 Pd 0.6199891 -0.6154943 0.0000000 -0.6176181 -0.1293942 0.0000000 0.0000000 0.0000000 0.5592005 14 Pd 0.6199891 0.6154943 0.0000000 0.6176181 -0.1293942 0.0000000 0.0000000 0.0000000 0.5592005 15 Pd 0.6199891 -0.6154943 0.0000000 -0.6176181 -0.1293942 0.0000000 0.0000000 0.0000000 0.5592005 16 Pd -0.5640847 0.0000000 0.0000000 0.0000000 0.9543083 0.0000000 0.0000000 0.0000000 0.6040059 17 Pd -0.5640847 0.0000000 0.0000000 0.0000000 0.9543083 0.0000000 0.0000000 0.0000000 0.6040059 18 Pd 0.6199891 0.6154943 0.0000000 0.6176181 -0.1293942 0.0000000 0.0000000 0.0000000 0.5592005 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (zzz) 0.00000001 (zzz) 0.00000001 (zzz) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 10 10 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.56, Number of G-points: 309, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/171) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.794 ( 0.000 0.000 0.000) 0.000 0.877 ( 0.000 0.000 0.000) 0.000 1.373 ( 0.000 0.000 0.000) 0.000 2.108 ( 0.000 -0.000 0.000) 0.000 2.194 ( 0.000 0.000 0.000) 0.000 2.257 ( 0.000 0.000 0.000) 0.000 2.270 ( 0.000 -0.000 0.000) 0.000 2.439 ( 0.000 0.000 0.000) 0.000 2.591 ( 0.000 0.000 0.000) 0.000 2.600 ( 0.000 0.000 0.000) 0.000 2.623 ( 0.000 -0.000 0.000) 0.000 2.811 ( 0.000 0.000 0.000) 0.000 2.977 ( 0.000 0.000 0.000) 0.000 2.989 ( 0.000 -0.000 0.000) 0.000 3.050 ( 0.000 0.000 0.000) 0.000 3.471 ( 0.000 0.000 0.000) 0.000 3.537 ( 0.000 0.000 0.000) 0.000 3.669 ( 0.000 0.000 0.000) 0.000 3.690 ( 0.000 0.000 0.000) 0.000 3.811 ( 0.000 0.000 0.000) 0.000 3.864 ( 0.000 -0.000 0.000) 0.000 4.328 ( 0.000 0.000 0.000) 0.000 4.333 ( 0.000 0.000 0.000) 0.000 4.343 ( 0.000 0.000 0.000) 0.000 4.354 ( 0.000 -0.000 0.000) 0.000 5.640 ( 0.000 0.000 0.000) 0.000 5.698 ( 0.000 -0.000 0.000) 0.000 7.244 ( 0.000 0.000 0.000) 0.000 7.269 ( 0.000 0.000 0.000) 0.000 7.276 ( 0.000 0.000 0.000) 0.000 7.297 ( 0.000 0.000 0.000) 0.000 7.850 ( 0.000 0.000 0.000) 0.000 7.865 ( 0.000 0.000 0.000) 0.000 7.899 ( 0.000 0.000 0.000) 0.000 7.995 ( 0.000 0.000 0.000) 0.000 8.418 ( 0.000 0.000 0.000) 0.000 8.425 ( 0.000 0.000 0.000) 0.000 8.449 ( 0.000 0.000 0.000) 0.000 8.501 ( 0.000 0.000 0.000) 0.000 8.732 ( 0.000 -0.000 0.000) 0.000 8.806 ( 0.000 0.000 0.000) 0.000 8.848 ( 0.000 0.000 0.000) 0.000 9.130 ( 0.000 0.000 0.000) 0.000 9.155 ( 0.000 0.000 0.000) 0.000 9.184 ( 0.000 0.000 0.000) 0.000 9.234 ( 0.000 0.000 0.000) 0.000 9.256 ( 0.000 0.000 0.000) 0.000 9.867 ( 0.000 0.000 0.000) 0.000 9.968 ( 0.000 -0.000 0.000) 0.000 10.809 ( 0.000 0.000 0.000) 0.000 10.875 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/171) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.208 ( -11.642 5.510 1.676) 12.988 0.280 ( -13.113 4.614 4.948) 14.755 0.691 ( -29.805 18.999 3.402) 35.509 0.855 ( -3.221 5.051 -1.232) 6.115 1.051 ( -16.138 7.116 -2.577) 17.825 1.264 ( 8.802 -3.639 -0.325) 9.530 2.116 ( -0.321 -0.285 0.153) 0.456 2.198 ( 0.051 0.535 0.602) 0.807 2.266 ( -0.127 1.035 -3.485) 3.638 2.297 ( 1.205 3.139 3.078) 4.558 2.479 ( -0.578 1.806 -0.165) 1.903 2.618 ( -2.303 1.152 0.002) 2.575 2.621 ( -2.069 0.901 -0.007) 2.257 2.760 ( 2.145 -2.823 -2.511) 4.345 2.968 ( 0.456 -0.475 -4.984) 5.027 2.978 ( 0.479 -0.561 -0.273) 0.787 3.050 ( 0.013 -0.100 1.243) 1.248 3.147 ( -0.052 -6.811 4.385) 8.101 3.431 ( 4.593 -1.053 0.579) 4.748 3.496 ( 4.865 -1.948 0.476) 5.263 3.622 ( 3.035 -4.216 0.276) 5.202 3.647 ( 2.456 -4.762 -0.296) 5.366 3.759 ( 4.956 -0.350 -0.236) 4.974 3.815 ( 4.704 -0.780 -0.451) 4.789 4.269 ( 5.385 -3.085 0.039) 6.207 4.287 ( 5.304 -2.864 -0.041) 6.028 4.313 ( 1.887 -1.034 0.033) 2.152 4.330 ( 2.139 -1.384 -0.051) 2.548 5.567 ( 6.153 -4.126 0.108) 7.409 5.618 ( 6.819 -3.999 -0.139) 7.906 7.262 ( -1.046 1.829 0.068) 2.108 7.284 ( -0.527 2.029 -0.057) 2.097 7.309 ( -3.415 0.727 0.072) 3.492 7.328 ( -3.331 0.744 0.010) 3.413 7.857 ( -0.718 -0.214 -0.019) 0.750 7.874 ( -0.961 0.158 -0.240) 1.003 7.910 ( -0.817 0.595 0.445) 1.104 7.996 ( 0.055 0.422 -0.253) 0.495 8.451 ( -2.593 1.720 0.134) 3.115 8.480 ( -2.328 2.643 -0.325) 3.537 8.489 ( -5.039 2.990 1.091) 5.960 8.555 ( -5.429 2.064 -0.075) 5.809 8.751 ( -0.529 0.461 3.557) 3.625 8.825 ( -1.712 0.246 0.119) 1.734 8.859 ( -1.123 0.364 -0.155) 1.191 9.113 ( 1.528 -0.410 -0.583) 1.686 9.178 ( -0.739 -1.058 0.154) 1.300 9.232 ( 0.433 0.171 -0.096) 0.475 9.258 ( -0.370 0.038 -0.130) 0.394 9.324 ( 0.086 0.599 -1.045) 1.208 9.889 ( -2.105 0.824 0.304) 2.281 9.984 ( -1.419 0.950 -0.252) 1.726 10.780 ( 2.596 -1.407 0.137) 2.956 10.858 ( 1.491 -0.815 -0.455) 1.759 ======================= Grid point 2 (3/171) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.507 ( -16.863 6.362 -0.733) 18.038 0.558 ( -12.828 5.629 4.536) 14.724 0.969 ( -5.561 4.759 -2.299) 7.672 1.029 ( 6.702 -3.764 -4.022) 8.675 1.377 ( -28.867 18.182 2.191) 34.186 1.489 ( -21.775 11.746 1.437) 24.783 2.114 ( 0.050 -0.957 0.239) 0.987 2.202 ( 0.734 0.621 1.062) 1.433 2.261 ( 0.539 1.194 -3.020) 3.292 2.306 ( 1.632 1.360 2.175) 3.040 2.500 ( -1.920 -2.532 0.775) 3.271 2.665 ( 0.929 -3.260 0.779) 3.478 2.698 ( -2.341 1.420 0.234) 2.748 2.701 ( -4.898 3.195 -0.037) 5.848 2.912 ( 1.461 -2.365 -6.558) 7.123 2.967 ( 0.726 0.480 -0.005) 0.871 3.046 ( 2.550 -2.489 4.979) 6.123 3.089 ( 1.626 -0.827 -2.254) 2.900 3.289 ( 12.147 -5.824 0.498) 13.480 3.298 ( 11.903 -6.540 1.580) 13.672 3.527 ( 4.114 -4.624 -0.885) 6.252 3.537 ( 2.943 -4.472 -0.141) 5.355 3.671 ( 5.135 -0.060 -0.335) 5.146 3.724 ( 5.101 0.155 -0.159) 5.105 4.103 ( 9.347 -5.920 0.092) 11.064 4.123 ( 9.132 -5.926 -0.099) 10.887 4.241 ( 5.296 -2.599 -0.061) 5.900 4.244 ( 6.133 -3.135 0.015) 6.888 5.387 ( 8.952 -6.044 -0.035) 10.801 5.427 ( 9.949 -5.361 0.088) 11.301 7.308 ( -1.756 2.742 0.036) 3.256 7.322 ( -1.150 3.109 -0.034) 3.315 7.395 ( -5.459 1.371 0.149) 5.630 7.413 ( -5.315 1.451 -0.040) 5.510 7.864 ( -0.871 -1.088 0.043) 1.395 7.891 ( -1.078 -0.569 -0.128) 1.225 7.939 ( -1.219 1.469 0.379) 1.946 7.997 ( 0.407 0.982 -0.351) 1.120 8.530 ( -4.355 2.393 -0.001) 4.969 8.553 ( -3.526 2.830 0.041) 4.521 8.642 ( -7.342 4.926 0.818) 8.879 8.703 ( -8.203 4.098 -0.090) 9.170 8.794 ( -2.324 1.570 2.020) 3.456 8.867 ( -2.692 0.612 0.035) 2.760 8.888 ( -1.807 0.445 -0.082) 1.862 9.075 ( 1.948 -0.274 -1.702) 2.601 9.180 ( -0.343 -0.496 0.240) 0.649 9.221 ( 0.805 -0.122 -0.214) 0.842 9.265 ( -0.117 0.198 0.457) 0.511 9.322 ( 0.180 -0.008 -0.469) 0.502 9.952 ( -3.889 1.596 0.527) 4.237 10.030 ( -2.783 1.865 -0.403) 3.375 10.707 ( 4.111 -2.174 0.509) 4.678 10.808 ( 2.900 -1.593 -0.843) 3.415 ======================= Grid point 3 (4/171) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( -10.837 5.014 1.718) 12.064 0.886 ( -17.039 5.411 -4.831) 18.519 1.022 ( -10.282 4.190 3.367) 11.602 1.105 ( -6.800 4.135 -2.029) 8.213 1.975 ( -21.439 12.223 0.598) 24.686 2.010 ( -26.115 15.523 0.100) 30.380 2.099 ( 0.523 -1.117 0.355) 1.283 2.189 ( 1.836 0.517 0.958) 2.135 2.251 ( 0.213 1.289 -1.972) 2.365 2.291 ( 0.664 -0.656 0.963) 1.342 2.496 ( -0.345 -2.397 1.469) 2.832 2.601 ( 2.203 -2.556 2.760) 4.360 2.779 ( -1.167 -2.618 -0.117) 2.868 2.818 ( 2.396 2.450 -2.658) 4.337 2.844 ( 1.343 -4.741 0.655) 4.971 2.882 ( 7.737 -1.377 1.442) 7.990 2.972 ( 4.429 -1.740 -2.432) 5.345 2.986 ( 2.160 -3.313 -1.413) 4.200 3.072 ( 8.647 -4.816 2.481) 10.204 3.090 ( 0.932 1.365 0.668) 1.783 3.417 ( 3.474 -3.171 -1.576) 4.961 3.466 ( 2.865 -1.839 0.626) 3.461 3.585 ( 4.793 -0.664 -1.074) 4.956 3.657 ( 3.453 0.432 0.617) 3.535 3.864 ( 11.459 -7.883 0.181) 13.910 3.887 ( 11.143 -7.970 -0.199) 13.701 4.048 ( 12.552 -6.154 0.331) 13.983 4.078 ( 10.339 -5.272 -0.198) 11.608 5.193 ( 7.262 -4.916 -0.516) 8.785 5.227 ( 8.392 -3.971 0.637) 9.306 7.364 ( -1.804 2.584 -0.178) 3.156 7.375 ( -1.533 3.017 0.156) 3.388 7.505 ( -5.704 1.852 0.112) 5.998 7.518 ( -5.324 1.741 -0.037) 5.602 7.865 ( -0.707 -1.738 0.230) 1.890 7.887 ( 0.111 -1.987 -0.212) 2.002 7.975 ( -1.005 1.805 0.250) 2.081 8.004 ( 0.200 1.758 -0.252) 1.787 8.627 ( -4.396 2.306 -0.185) 4.968 8.641 ( -3.715 2.406 0.191) 4.430 8.785 ( -3.770 3.078 1.711) 5.159 8.859 ( -5.380 2.020 0.104) 5.748 8.891 ( -6.051 3.611 0.492) 7.064 8.920 ( -2.046 0.534 -0.135) 2.119 8.936 ( -4.342 2.386 0.118) 4.956 9.041 ( 0.768 0.382 -2.213) 2.374 9.181 ( -0.121 -0.406 0.203) 0.469 9.203 ( 0.943 -0.212 -0.186) 0.984 9.263 ( 0.856 -0.185 0.874) 1.237 9.311 ( 0.816 -0.589 -0.307) 1.053 10.048 ( -5.094 2.192 0.460) 5.565 10.105 ( -3.826 2.589 -0.296) 4.629 10.616 ( 4.561 -2.345 1.088) 5.242 10.728 ( 4.057 -2.245 -1.142) 4.775 ======================= Grid point 4 (5/171) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( -11.506 3.871 1.209) 12.200 1.156 ( -10.354 4.831 -2.280) 11.651 1.217 ( -9.226 4.470 0.569) 10.268 1.413 ( -19.790 8.931 0.659) 21.722 2.075 ( 1.129 -0.765 0.225) 1.382 2.148 ( 3.345 -0.591 -0.436) 3.425 2.208 ( 0.888 -1.208 -1.175) 1.906 2.219 ( 1.364 0.521 -0.610) 1.582 2.353 ( 9.830 -5.926 -0.299) 11.482 2.384 ( -0.126 -2.430 -0.860) 2.581 2.451 ( -1.127 -0.024 0.196) 1.144 2.570 ( 12.608 -6.793 1.413) 14.392 2.646 ( -11.099 7.968 2.457) 13.882 2.679 ( -9.856 6.731 3.969) 12.578 2.854 ( -2.332 -1.356 0.541) 2.751 2.880 ( -2.952 4.754 -2.957) 6.329 2.972 ( 0.992 -0.351 0.221) 1.075 3.060 ( -10.687 3.802 0.472) 11.353 3.093 ( -2.726 1.165 -0.074) 2.966 3.113 ( -6.225 5.421 0.575) 8.275 3.340 ( 2.296 -2.173 -1.927) 3.702 3.415 ( 2.018 -0.827 0.255) 2.196 3.473 ( 7.216 -3.025 -1.741) 8.016 3.590 ( 11.442 -8.363 0.232) 14.175 3.600 ( 8.823 -5.764 0.350) 10.545 3.645 ( 4.227 -2.590 0.161) 4.960 3.720 ( 18.913 -8.268 1.129) 20.672 3.822 ( 11.887 -6.169 -0.217) 13.395 5.070 ( 3.160 -2.289 -0.580) 3.945 5.095 ( 4.492 -1.785 0.662) 4.879 7.409 ( -1.190 1.556 -0.207) 1.970 7.422 ( -1.091 1.811 0.179) 2.122 7.598 ( -3.244 1.455 -0.381) 3.575 7.617 ( -4.440 1.842 0.492) 4.832 7.845 ( 1.253 -2.095 -0.530) 2.498 7.865 ( -0.333 -1.641 0.487) 1.744 8.002 ( -0.343 1.184 0.190) 1.247 8.018 ( -0.132 1.347 -0.176) 1.365 8.704 ( -2.638 1.378 -0.245) 2.986 8.713 ( -2.519 1.463 0.234) 2.923 8.853 ( -1.506 1.674 1.361) 2.631 8.913 ( -1.608 -0.497 0.037) 1.684 8.947 ( -1.501 -0.150 0.414) 1.565 8.988 ( 0.616 1.157 -1.408) 1.924 9.040 ( -6.006 3.557 -0.051) 6.981 9.096 ( -5.465 3.220 -0.535) 6.366 9.179 ( -0.097 -0.380 0.010) 0.392 9.186 ( 0.844 -0.035 -0.028) 0.845 9.237 ( 2.105 -0.977 0.885) 2.484 9.278 ( 2.061 -1.383 -0.246) 2.494 10.155 ( -4.926 2.091 -0.140) 5.353 10.193 ( -3.379 2.445 0.230) 4.177 10.530 ( 3.595 -1.828 1.383) 4.263 10.630 ( 4.195 -2.339 -1.232) 4.959 ======================= Grid point 5 (6/171) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( -0.000 0.000 0.000) 0.000 1.189 ( 0.000 -0.000 0.000) 0.000 1.459 ( -0.000 0.000 0.000) 0.000 1.696 ( -0.000 0.000 0.000) 0.000 1.988 ( -0.000 0.000 0.000) 0.000 2.059 ( -0.000 -0.000 0.000) 0.000 2.141 ( -0.000 -0.000 0.000) 0.000 2.202 ( -0.000 0.000 -0.000) 0.000 2.235 ( -0.000 0.000 -0.000) 0.000 2.271 ( -0.000 0.000 0.000) 0.000 2.446 ( -0.000 0.000 0.000) 0.000 2.494 ( -0.000 0.000 0.000) 0.000 2.741 ( -0.000 0.000 0.000) 0.000 2.846 ( -0.000 0.000 0.000) 0.000 2.861 ( -0.000 0.000 0.000) 0.000 3.064 ( -0.000 0.000 0.000) 0.000 3.104 ( -0.000 -0.000 0.000) 0.000 3.202 ( -0.000 0.000 0.000) 0.000 3.229 ( 0.000 0.000 -0.000) 0.000 3.253 ( 0.000 -0.000 0.000) 0.000 3.327 ( -0.000 -0.000 0.000) 0.000 3.337 ( -0.000 0.000 0.000) 0.000 3.338 ( 0.000 -0.000 0.000) 0.000 3.344 ( 0.000 0.000 0.000) 0.000 3.383 ( 0.000 -0.000 0.000) 0.000 3.412 ( -0.000 0.000 0.000) 0.000 3.657 ( 0.000 -0.000 0.000) 0.000 3.660 ( -0.000 0.000 0.000) 0.000 5.035 ( -0.000 0.000 0.000) 0.000 5.051 ( -0.000 0.000 0.000) 0.000 7.426 ( -0.000 0.000 0.000) 0.000 7.441 ( -0.000 -0.000 0.000) 0.000 7.632 ( -0.000 0.000 0.000) 0.000 7.674 ( -0.000 -0.000 0.000) 0.000 7.813 ( -0.000 0.000 0.000) 0.000 7.862 ( -0.000 0.000 0.000) 0.000 8.010 ( -0.000 0.000 0.000) 0.000 8.026 ( -0.000 -0.000 0.000) 0.000 8.733 ( -0.000 0.000 0.000) 0.000 8.743 ( -0.000 0.000 0.000) 0.000 8.878 ( -0.000 0.000 0.000) 0.000 8.921 ( -0.000 0.000 0.000) 0.000 8.965 ( 0.000 0.000 -0.000) 0.000 8.977 ( -0.000 -0.000 0.000) 0.000 9.129 ( -0.000 0.000 0.000) 0.000 9.173 ( -0.000 0.000 0.000) 0.000 9.177 ( -0.000 0.000 0.000) 0.000 9.193 ( -0.000 -0.000 0.000) 0.000 9.198 ( -0.000 0.000 -0.000) 0.000 9.224 ( -0.000 0.000 0.000) 0.000 10.220 ( -0.000 0.000 0.000) 0.000 10.233 ( -0.000 0.000 0.000) 0.000 10.493 ( -0.000 -0.000 0.000) 0.000 10.569 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 12 (7/171) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.114 ( 0.000 -0.000 14.203) 14.203 0.128 ( 0.000 -0.000 16.005) 16.005 0.208 ( 0.000 -0.000 26.069) 26.069 0.783 ( -0.000 0.000 -2.792) 2.792 0.865 ( -0.000 0.000 -2.965) 2.965 1.357 ( -0.000 0.000 -3.985) 3.985 2.111 ( 0.000 -0.000 0.578) 0.578 2.199 ( 0.000 -0.000 1.125) 1.125 2.234 ( -0.000 0.000 -3.429) 3.429 2.293 ( 0.000 -0.000 3.260) 3.260 2.439 ( 0.000 -0.000 0.143) 0.143 2.590 ( -0.000 0.000 -0.182) 0.182 2.600 ( -0.000 0.000 -0.016) 0.016 2.619 ( -0.000 0.000 -0.935) 0.935 2.978 ( 0.000 -0.000 0.178) 0.178 2.989 ( 0.000 -0.000 0.035) 0.035 3.047 ( -0.000 0.000 -0.634) 0.634 3.340 ( -0.000 0.000 -6.005) 6.005 3.475 ( 0.000 -0.000 0.997) 0.997 3.551 ( 0.000 -0.000 3.019) 3.019 3.673 ( 0.000 -0.000 0.957) 0.957 3.711 ( -0.000 0.000 -0.726) 0.726 3.810 ( -0.000 0.000 -0.237) 0.237 3.860 ( -0.000 0.000 -1.020) 1.020 4.328 ( 0.000 -0.000 0.074) 0.074 4.333 ( 0.000 -0.000 0.049) 0.049 4.343 ( -0.000 0.000 -0.027) 0.027 4.354 ( -0.000 0.000 -0.129) 0.129 5.641 ( 0.000 -0.000 0.261) 0.261 5.696 ( -0.000 0.000 -0.438) 0.438 7.244 ( 0.000 -0.000 0.156) 0.156 7.269 ( -0.000 0.000 -0.159) 0.159 7.276 ( 0.000 -0.000 0.127) 0.127 7.296 ( -0.000 0.000 -0.128) 0.128 7.850 ( -0.000 0.000 -0.049) 0.049 7.863 ( -0.000 0.000 -0.500) 0.500 7.903 ( 0.000 -0.000 0.933) 0.933 7.993 ( -0.000 0.000 -0.507) 0.507 8.418 ( 0.000 -0.000 0.034) 0.034 8.444 ( -0.000 0.000 -0.838) 0.838 8.461 ( 0.000 -0.000 0.911) 0.911 8.500 ( -0.000 0.000 -0.144) 0.144 8.806 ( 0.000 -0.000 0.098) 0.098 8.847 ( -0.000 0.000 -0.425) 0.425 9.063 ( 0.000 -0.000 0.289) 0.289 9.128 ( -0.000 0.000 -0.531) 0.531 9.157 ( 0.000 -0.000 0.442) 0.442 9.185 ( 0.000 -0.000 0.339) 0.339 9.233 ( -0.000 0.000 -0.245) 0.245 9.252 ( -0.000 0.000 -0.782) 0.782 9.870 ( 0.000 -0.000 0.619) 0.619 9.965 ( -0.000 0.000 -0.641) 0.641 10.810 ( 0.000 -0.000 0.201) 0.201 10.873 ( -0.000 0.000 -0.601) 0.601 ======================= Grid point 13 (8/171) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.249 ( -7.643 4.511 8.793) 12.493 0.340 ( -10.234 5.760 9.265) 14.958 0.740 ( -26.895 16.367 8.420) 32.590 0.837 ( -4.218 4.988 -3.159) 7.256 1.012 ( -12.847 6.280 -6.965) 15.906 1.257 ( 4.782 -2.192 -1.671) 5.520 2.119 ( -0.221 -0.151 0.524) 0.588 2.207 ( 0.043 0.520 1.666) 1.746 2.237 ( -0.162 1.552 -3.563) 3.890 2.319 ( 1.019 2.416 2.272) 3.470 2.478 ( -1.660 1.010 0.189) 1.953 2.618 ( -2.308 1.089 0.006) 2.552 2.621 ( -2.068 0.932 -0.022) 2.268 2.726 ( -2.651 -0.921 -5.527) 6.199 2.925 ( 1.207 -4.450 -4.395) 6.370 2.978 ( 0.865 0.302 0.100) 0.922 3.056 ( -0.543 0.850 0.256) 1.041 3.183 ( 4.368 -4.810 2.953) 7.137 3.439 ( 4.499 -1.076 1.423) 4.840 3.506 ( 4.806 -2.329 2.083) 5.733 3.626 ( 3.524 -4.225 0.520) 5.526 3.642 ( 3.221 -4.397 -0.785) 5.507 3.756 ( 4.526 -0.876 -0.386) 4.626 3.808 ( 4.475 -0.823 -1.265) 4.722 4.270 ( 5.368 -3.109 0.111) 6.204 4.286 ( 5.304 -2.864 -0.118) 6.029 4.314 ( 1.901 -1.070 0.096) 2.183 4.329 ( 2.145 -1.345 -0.151) 2.536 5.569 ( 6.164 -4.177 0.341) 7.454 5.616 ( 6.719 -3.979 -0.445) 7.822 7.263 ( -1.017 1.836 0.197) 2.108 7.283 ( -0.544 2.038 -0.177) 2.117 7.310 ( -3.422 0.733 0.207) 3.506 7.328 ( -3.356 0.726 -0.065) 3.434 7.856 ( -0.726 -0.221 -0.052) 0.761 7.871 ( -1.021 0.261 -0.480) 1.158 7.916 ( -0.731 0.502 1.084) 1.400 7.993 ( 0.013 0.407 -0.716) 0.823 8.452 ( -2.446 1.890 0.119) 3.093 8.477 ( -2.483 2.984 -0.351) 3.898 8.501 ( -4.676 2.130 1.614) 5.386 8.554 ( -5.414 2.122 -0.215) 5.819 8.798 ( 2.100 -0.905 6.898) 7.267 8.829 ( -1.064 -0.194 1.182) 1.602 8.857 ( -1.097 0.470 -0.295) 1.229 9.104 ( 1.841 -0.583 -1.717) 2.584 9.180 ( -0.713 -1.057 0.463) 1.356 9.230 ( 0.466 0.193 -0.337) 0.606 9.256 ( -0.737 0.169 -0.292) 0.811 9.310 ( -0.996 1.380 -2.332) 2.887 9.894 ( -2.090 0.825 0.883) 2.414 9.980 ( -1.484 0.922 -0.781) 1.913 10.782 ( 2.534 -1.380 0.423) 2.916 10.852 ( 1.523 -0.830 -1.150) 2.082 ======================= Grid point 14 (9/171) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.513 ( -15.331 5.538 2.241) 16.453 0.598 ( -10.650 5.293 5.392) 13.058 0.942 ( -5.454 4.527 -4.489) 8.390 0.985 ( 3.745 -1.389 -6.604) 7.718 1.401 ( -28.091 16.983 3.876) 33.054 1.502 ( -21.081 11.262 1.664) 23.959 2.117 ( 0.214 -0.784 0.529) 0.970 2.212 ( 0.818 0.470 1.129) 1.471 2.239 ( 0.360 1.502 -2.062) 2.576 2.319 ( 1.626 0.792 1.004) 2.068 2.511 ( -2.217 -2.559 1.887) 3.876 2.672 ( -0.995 -2.618 0.926) 2.950 2.698 ( -4.745 2.251 -0.267) 5.258 2.704 ( -1.391 2.136 0.809) 2.675 2.855 ( 0.004 -3.002 -7.394) 7.981 2.967 ( 0.983 0.867 0.023) 1.311 3.066 ( 2.009 -1.185 -3.265) 4.012 3.085 ( 3.245 -1.652 4.416) 5.723 3.295 ( 12.895 -6.754 1.097) 14.598 3.313 ( 11.156 -6.411 1.991) 13.020 3.519 ( 4.949 -4.812 -1.277) 7.019 3.533 ( 3.188 -2.163 -0.642) 3.905 3.669 ( 4.708 -1.114 -0.245) 4.845 3.722 ( 4.398 -0.155 -0.379) 4.417 4.104 ( 9.310 -5.957 0.168) 11.053 4.122 ( 9.141 -5.945 -0.180) 10.905 4.241 ( 5.469 -2.672 -0.086) 6.087 4.244 ( 5.946 -3.038 0.010) 6.677 5.387 ( 9.114 -6.231 -0.024) 11.040 5.428 ( 9.700 -5.225 0.107) 11.018 7.309 ( -1.666 2.714 0.060) 3.185 7.322 ( -1.242 3.112 -0.058) 3.351 7.396 ( -5.441 1.387 0.279) 5.622 7.412 ( -5.296 1.442 -0.118) 5.490 7.865 ( -0.950 -1.041 0.071) 1.411 7.890 ( -1.121 -0.524 -0.194) 1.252 7.943 ( -1.019 1.350 0.675) 1.821 7.993 ( 0.271 1.002 -0.643) 1.221 8.530 ( -4.250 2.444 -0.035) 4.903 8.554 ( -3.573 2.874 0.065) 4.586 8.650 ( -7.577 4.708 1.125) 8.991 8.702 ( -8.183 4.231 -0.166) 9.214 8.817 ( -1.311 0.982 3.759) 4.100 8.867 ( -2.631 0.525 0.068) 2.684 8.887 ( -1.893 0.575 -0.069) 1.980 9.055 ( 2.024 -0.295 -3.131) 3.740 9.183 ( -0.287 -0.509 0.469) 0.749 9.218 ( 0.745 -0.142 -0.435) 0.874 9.270 ( -0.306 0.295 0.758) 0.869 9.317 ( -0.033 0.178 -0.828) 0.848 9.958 ( -3.804 1.582 0.991) 4.238 10.026 ( -2.897 1.851 -0.794) 3.528 10.713 ( 3.955 -2.118 0.995) 4.596 10.798 ( 2.890 -1.590 -1.517) 3.631 ======================= Grid point 15 (10/171) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( -10.478 4.399 2.147) 11.565 0.849 ( -16.514 4.073 -4.048) 17.484 1.046 ( -11.983 6.099 2.484) 13.673 1.085 ( -7.095 4.670 -2.774) 8.936 1.981 ( -21.116 12.036 0.723) 24.316 2.011 ( -24.486 14.263 0.102) 28.337 2.103 ( 0.520 -0.819 0.535) 1.107 2.197 ( 1.830 0.462 0.703) 2.014 2.238 ( -0.097 1.298 -1.086) 1.695 2.296 ( 0.600 -0.991 0.280) 1.192 2.513 ( -0.323 -2.115 2.841) 3.557 2.621 ( 1.808 -3.169 1.874) 4.102 2.779 ( 1.419 -1.428 0.098) 2.016 2.802 ( -2.888 3.362 -1.108) 4.569 2.850 ( -2.744 -2.819 0.533) 3.970 2.889 ( 10.560 -3.963 0.410) 11.287 2.945 ( 9.862 -5.536 -3.753) 11.916 2.982 ( -1.311 0.970 -0.175) 1.640 3.080 ( 7.889 -5.204 0.083) 9.451 3.106 ( 2.087 0.220 2.738) 3.449 3.407 ( 4.105 -2.203 -0.814) 4.730 3.465 ( 3.140 -0.882 -0.921) 3.389 3.578 ( 4.675 -1.646 -0.480) 4.980 3.661 ( 2.894 -0.025 0.436) 2.927 3.866 ( 11.405 -7.906 0.270) 13.880 3.885 ( 11.156 -8.027 -0.292) 13.747 4.052 ( 12.289 -6.024 0.479) 13.695 4.076 ( 10.427 -5.342 -0.318) 11.720 5.189 ( 7.330 -5.017 -0.478) 8.895 5.232 ( 8.271 -3.977 0.627) 9.199 7.363 ( -1.732 2.582 -0.176) 3.114 7.376 ( -1.618 2.980 0.149) 3.394 7.506 ( -5.512 1.845 0.154) 5.815 7.517 ( -5.470 1.790 -0.063) 5.756 7.867 ( -0.701 -1.757 0.348) 1.924 7.885 ( 0.095 -2.000 -0.327) 2.029 7.978 ( -0.946 1.836 0.372) 2.098 8.001 ( 0.103 1.721 -0.374) 1.764 8.626 ( -4.317 2.307 -0.191) 4.899 8.642 ( -3.775 2.410 0.195) 4.483 8.802 ( -4.004 3.032 2.271) 5.512 8.860 ( -5.460 2.283 0.095) 5.919 8.896 ( -5.146 2.914 0.802) 5.968 8.919 ( -2.324 0.937 0.023) 2.505 8.938 ( -4.137 2.029 0.146) 4.610 9.019 ( 0.396 0.577 -3.153) 3.230 9.183 ( -0.022 -0.426 0.312) 0.528 9.201 ( 0.849 -0.195 -0.291) 0.919 9.271 ( 0.815 -0.232 1.093) 1.383 9.308 ( 0.755 -0.520 -0.489) 1.039 10.052 ( -4.870 2.085 0.654) 5.338 10.102 ( -4.066 2.628 -0.450) 4.862 10.627 ( 4.431 -2.354 1.684) 5.292 10.716 ( 4.013 -2.230 -1.749) 4.913 ======================= Grid point 16 (11/171) ======================= q-point: ( 0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( -10.924 3.113 1.324) 11.436 1.140 ( -12.233 5.059 -1.812) 13.362 1.219 ( -9.622 4.364 -0.005) 10.565 1.419 ( -18.691 9.565 0.640) 21.006 2.077 ( 1.185 -0.816 0.205) 1.453 2.145 ( 4.324 -1.223 -0.204) 4.499 2.198 ( 1.045 -1.168 -1.376) 2.086 2.214 ( 0.941 1.033 -0.649) 1.541 2.350 ( 9.307 -5.812 -0.470) 10.983 2.379 ( -2.326 -2.050 -0.374) 3.123 2.455 ( -0.710 0.155 0.839) 1.110 2.578 ( 13.757 -7.409 0.780) 15.644 2.663 ( -11.684 7.592 2.062) 14.086 2.713 ( -6.851 5.004 3.930) 9.350 2.853 ( 0.548 4.305 -1.151) 4.490 2.869 ( -7.643 0.825 0.683) 7.718 2.966 ( 0.040 -1.486 -1.525) 2.130 3.059 ( -10.364 5.497 -0.760) 11.756 3.098 ( -4.040 0.043 1.181) 4.210 3.117 ( -5.018 4.643 0.465) 6.852 3.329 ( 3.518 -1.705 -0.802) 3.990 3.406 ( 2.824 -0.556 -2.284) 3.674 3.467 ( 6.381 -3.008 0.025) 7.054 3.593 ( 11.286 -7.859 0.293) 13.756 3.602 ( 10.313 -6.290 0.064) 12.080 3.646 ( 2.811 -3.284 0.054) 4.323 3.730 ( 18.667 -8.090 1.200) 20.380 3.820 ( 11.573 -6.252 -0.279) 13.157 5.066 ( 3.047 -2.379 -0.422) 3.889 5.100 ( 4.568 -1.831 0.504) 4.947 7.408 ( -1.205 1.611 -0.167) 2.019 7.423 ( -1.102 1.725 0.138) 2.052 7.596 ( -3.177 1.538 -0.271) 3.540 7.621 ( -4.502 1.840 0.383) 4.879 7.841 ( 1.372 -2.116 -0.406) 2.555 7.869 ( -0.423 -1.675 0.362) 1.766 8.004 ( -0.206 1.176 0.243) 1.218 8.017 ( -0.285 1.309 -0.227) 1.359 8.702 ( -2.712 1.357 -0.187) 3.039 8.715 ( -2.448 1.480 0.175) 2.866 8.865 ( -1.150 1.159 1.666) 2.333 8.914 ( -1.333 -0.250 0.072) 1.358 8.951 ( -1.631 0.004 0.305) 1.660 8.976 ( 0.337 0.999 -1.648) 1.957 9.039 ( -5.856 3.347 -0.082) 6.745 9.093 ( -5.864 3.519 -0.424) 6.852 9.179 ( 0.037 -0.405 0.026) 0.407 9.186 ( 0.752 0.010 -0.035) 0.753 9.244 ( 2.181 -1.154 0.881) 2.620 9.275 ( 1.996 -1.319 -0.323) 2.414 10.154 ( -4.673 1.931 -0.122) 5.058 10.195 ( -3.634 2.476 0.215) 4.402 10.543 ( 3.730 -2.051 1.797) 4.621 10.618 ( 3.980 -2.219 -1.647) 4.845 ======================= Grid point 17 (12/171) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( 0.737 -0.093 0.171) 0.763 1.188 ( -0.760 -0.009 -0.187) 0.783 1.459 ( 0.138 -1.192 -0.010) 1.200 1.696 ( 0.398 0.861 0.033) 0.949 1.990 ( -1.909 0.338 0.325) 1.966 2.060 ( 0.069 0.107 0.033) 0.131 2.133 ( -0.126 -0.575 -1.644) 1.746 2.209 ( 0.444 0.825 1.434) 1.713 2.233 ( -0.287 0.575 -0.453) 0.786 2.276 ( 1.286 -0.560 0.941) 1.689 2.447 ( 0.314 -0.427 0.050) 0.532 2.488 ( -1.169 -0.783 -1.363) 1.959 2.751 ( 1.394 0.008 2.384) 2.762 2.833 ( 0.308 0.790 -2.544) 2.682 2.867 ( -0.346 -1.136 0.841) 1.455 3.065 ( -0.221 -0.964 0.308) 1.036 3.100 ( 6.641 -4.277 -0.771) 7.937 3.203 ( -4.593 3.294 0.190) 5.656 3.230 ( -7.540 5.757 0.197) 9.489 3.254 ( 2.556 -2.840 0.204) 3.826 3.327 ( -1.721 -2.549 -0.061) 3.077 3.337 ( 5.143 -1.566 -0.003) 5.376 3.339 ( -3.167 1.293 0.115) 3.423 3.344 ( 2.218 2.623 -0.105) 3.437 3.383 ( 0.430 -2.430 0.121) 2.470 3.411 ( -0.013 2.110 -0.202) 2.120 3.656 ( 2.526 -2.738 -0.177) 3.730 3.661 ( -2.641 1.487 0.170) 3.035 5.035 ( -0.578 -0.227 -0.001) 0.621 5.051 ( 0.540 0.095 0.001) 0.548 7.426 ( -0.054 0.106 0.007) 0.119 7.441 ( 0.024 -0.131 -0.008) 0.133 7.632 ( -0.099 0.256 0.011) 0.274 7.674 ( 0.262 -0.299 -0.014) 0.397 7.813 ( -0.312 0.279 0.006) 0.419 7.862 ( 0.209 -0.208 -0.004) 0.295 8.010 ( 0.077 0.011 0.006) 0.078 8.026 ( -0.109 -0.071 -0.004) 0.130 8.732 ( -0.141 -0.049 -0.010) 0.150 8.743 ( 0.131 0.046 0.010) 0.139 8.878 ( 0.365 -0.720 -0.015) 0.807 8.923 ( 0.286 0.576 0.274) 0.699 8.961 ( 0.674 0.402 -0.887) 1.184 8.981 ( -1.299 -0.454 0.649) 1.521 9.129 ( -0.484 0.206 -0.015) 0.526 9.174 ( 0.122 -0.049 0.051) 0.141 9.177 ( 0.294 -0.078 -0.051) 0.308 9.193 ( -0.158 0.391 0.026) 0.422 9.198 ( 0.371 -0.589 -0.036) 0.697 9.224 ( -0.118 0.016 0.003) 0.119 10.220 ( -1.018 0.077 -0.049) 1.022 10.233 ( 0.966 -0.189 0.053) 0.985 10.493 ( 0.827 -0.644 -0.012) 1.048 10.569 ( -0.793 0.461 0.008) 0.917 ======================= Grid point 18 (13/171) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( 11.842 -4.419 -0.705) 12.659 1.175 ( 7.692 -4.362 2.288) 9.133 1.210 ( 10.177 -4.958 -1.271) 11.391 1.409 ( 20.681 -8.367 -0.414) 22.313 2.073 ( -1.075 0.739 -0.146) 1.312 2.151 ( -2.380 -0.037 0.370) 2.409 2.216 ( -1.518 1.145 0.792) 2.060 2.222 ( -1.178 0.228 0.170) 1.212 2.355 ( -11.640 6.801 0.094) 13.481 2.390 ( 1.631 0.571 0.695) 1.862 2.454 ( -1.634 2.156 0.923) 2.859 2.555 ( -8.916 4.642 -2.178) 10.285 2.627 ( 5.000 -4.704 -1.892) 7.121 2.656 ( 16.604 -10.762 -1.754) 19.864 2.851 ( 2.662 2.254 -0.348) 3.505 2.908 ( 0.525 -4.092 3.740) 5.568 2.962 ( -1.365 -1.476 -2.378) 3.114 3.056 ( 10.249 -0.342 -0.373) 10.261 3.097 ( 2.862 -3.895 0.640) 4.875 3.108 ( 6.809 -5.562 -0.600) 8.812 3.357 ( -1.441 2.726 2.202) 3.789 3.406 ( -1.924 1.158 -1.642) 2.782 3.489 ( -7.272 2.721 1.820) 7.974 3.589 ( -11.637 8.566 -0.105) 14.450 3.596 ( -7.186 5.509 -0.497) 9.068 3.643 ( -5.959 2.041 -0.164) 6.301 3.713 ( -18.934 8.441 -0.648) 20.741 3.823 ( -12.104 6.099 0.109) 13.555 5.075 ( -3.201 2.250 0.626) 3.962 5.090 ( -4.482 1.713 -0.677) 4.845 7.411 ( 1.180 -1.474 0.167) 1.896 7.421 ( 1.080 -1.919 -0.151) 2.207 7.601 ( 3.245 -1.318 0.402) 3.525 7.613 ( 4.442 -1.914 -0.470) 4.860 7.849 ( -1.225 2.138 0.542) 2.523 7.861 ( 0.327 1.554 -0.516) 1.670 8.001 ( 0.422 -1.193 -0.102) 1.270 8.019 ( 0.041 -1.375 0.094) 1.379 8.706 ( 2.502 -1.408 0.261) 2.883 8.711 ( 2.653 -1.435 -0.253) 3.027 8.844 ( 1.764 -1.969 -0.748) 2.748 8.913 ( 1.830 0.559 -0.010) 1.914 8.945 ( 1.294 0.241 -0.273) 1.345 8.997 ( -0.691 -1.245 0.777) 1.622 9.040 ( 6.164 -3.742 0.012) 7.211 9.100 ( 5.086 -2.945 0.400) 5.891 9.179 ( 0.210 0.372 0.005) 0.427 9.187 ( -0.907 0.065 0.015) 0.910 9.231 ( -2.075 0.835 -0.578) 2.311 9.279 ( -2.094 1.419 0.129) 2.533 10.156 ( 5.160 -2.229 0.097) 5.622 10.192 ( 3.144 -2.410 -0.152) 3.965 10.522 ( -3.527 1.687 -0.746) 3.980 10.638 ( -4.328 2.397 0.652) 4.990 ======================= Grid point 19 (14/171) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.774 ( 10.981 -5.317 -0.628) 12.217 0.920 ( 19.605 -8.100 3.176) 21.449 0.996 ( 7.068 -1.172 -2.606) 7.624 1.116 ( 6.612 -3.847 0.737) 7.685 1.972 ( 21.649 -12.344 -0.232) 24.922 2.009 ( 27.135 -16.332 -0.043) 31.671 2.097 ( -0.517 1.298 -0.122) 1.403 2.184 ( -1.786 -0.588 -0.379) 1.918 2.267 ( -0.902 -1.245 1.853) 2.408 2.281 ( -0.288 0.434 -1.450) 1.541 2.489 ( 0.490 2.585 -0.383) 2.659 2.583 ( -2.750 2.343 -1.266) 3.828 2.780 ( 3.088 2.125 0.049) 3.749 2.838 ( -13.124 8.943 0.769) 15.900 2.844 ( 3.133 -3.542 1.988) 5.130 2.866 ( -5.495 -0.397 -2.503) 6.051 2.979 ( 2.035 -1.539 0.142) 2.555 3.007 ( -6.057 6.071 2.628) 8.969 3.049 ( -9.647 5.129 -2.537) 11.217 3.089 ( -1.230 -1.859 0.018) 2.229 3.429 ( -2.762 4.089 1.214) 5.081 3.458 ( -3.112 2.017 -0.943) 3.826 3.592 ( -4.709 0.127 0.605) 4.750 3.653 ( -3.860 -0.729 -0.348) 3.944 3.863 ( -11.491 7.862 -0.063) 13.923 3.888 ( -11.135 7.940 0.070) 13.677 4.047 ( -12.704 6.225 -0.118) 14.148 4.079 ( -10.296 5.239 0.067) 11.553 5.196 ( -7.155 4.866 0.261) 8.657 5.223 ( -8.532 3.954 -0.307) 9.409 7.365 ( 1.882 -2.571 0.084) 3.187 7.374 ( 1.447 -3.054 -0.076) 3.380 7.504 ( 5.804 -1.855 -0.041) 6.093 7.518 ( 5.253 -1.714 0.012) 5.526 7.863 ( 0.714 1.724 -0.080) 1.868 7.888 ( -0.125 1.981 0.073) 1.986 7.974 ( 1.038 -1.792 -0.088) 2.073 8.005 ( -0.257 -1.775 0.089) 1.795 8.628 ( 4.484 -2.302 0.084) 5.040 8.639 ( 3.640 -2.410 -0.087) 4.366 8.776 ( 3.749 -3.141 -0.629) 4.931 8.858 ( 5.308 -1.884 -0.044) 5.632 8.889 ( 6.444 -3.893 -0.159) 7.530 8.921 ( 1.826 -0.282 0.062) 1.848 8.936 ( 4.524 -2.666 -0.046) 5.251 9.053 ( -0.934 -0.287 0.808) 1.268 9.180 ( 0.174 0.397 -0.070) 0.439 9.204 ( -0.991 0.220 0.063) 1.017 9.258 ( -0.887 0.154 -0.344) 0.964 9.312 ( -0.850 0.630 0.105) 1.063 10.045 ( 5.210 -2.248 -0.163) 5.676 10.107 ( 3.701 -2.576 0.102) 4.510 10.610 ( -4.636 2.341 -0.376) 5.208 10.734 ( -4.090 2.253 0.396) 4.686 ======================= Grid point 20 (15/171) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.518 ( 18.185 -7.560 0.000) 19.694 0.532 ( 12.743 -4.761 0.000) 13.603 0.978 ( 5.513 -4.732 0.000) 7.265 1.045 ( -7.697 4.549 -0.000) 8.941 1.368 ( 29.043 -18.605 0.000) 34.491 1.482 ( 22.229 -12.043 0.000) 25.282 2.113 ( 0.013 1.036 -0.000) 1.036 2.198 ( -0.712 -0.691 0.000) 0.992 2.281 ( 0.712 1.203 -0.000) 1.398 2.288 ( -2.926 -3.871 0.000) 4.852 2.497 ( 1.784 2.531 -0.000) 3.097 2.662 ( -1.638 3.462 -0.000) 3.830 2.697 ( 2.221 -1.552 0.000) 2.710 2.701 ( 5.432 -3.125 0.000) 6.266 2.945 ( -2.624 1.759 -0.000) 3.159 2.967 ( -0.894 -0.777 0.000) 1.185 3.019 ( -1.608 3.742 -0.000) 4.073 3.099 ( -1.234 0.543 -0.000) 1.348 3.287 ( -10.189 4.145 -0.000) 11.000 3.291 ( -13.894 8.028 -0.000) 16.046 3.532 ( -3.100 3.151 -0.000) 4.420 3.536 ( -3.612 6.667 -0.000) 7.583 3.673 ( -5.266 -0.352 -0.000) 5.277 3.724 ( -5.373 -0.244 -0.000) 5.379 4.102 ( -9.361 5.906 -0.000) 11.068 4.124 ( -9.130 5.918 -0.000) 10.880 4.241 ( -5.191 2.552 -0.000) 5.785 4.244 ( -6.242 3.192 -0.000) 7.011 5.387 ( -8.888 5.971 -0.000) 10.707 5.427 ( -10.045 5.414 -0.000) 11.411 7.308 ( 1.788 -2.753 0.000) 3.282 7.322 ( 1.117 -3.108 0.000) 3.303 7.394 ( 5.465 -1.364 0.000) 5.633 7.413 ( 5.326 -1.456 0.000) 5.521 7.864 ( 0.843 1.106 -0.000) 1.390 7.891 ( 1.056 0.593 -0.000) 1.211 7.937 ( 1.295 -1.518 0.000) 1.995 7.999 ( -0.454 -0.976 0.000) 1.077 8.530 ( 4.407 -2.368 0.000) 5.003 8.553 ( 3.505 -2.819 0.000) 4.497 8.639 ( 7.259 -5.014 0.000) 8.823 8.703 ( 8.208 -4.054 0.000) 9.155 8.786 ( 2.741 -1.791 0.000) 3.275 8.867 ( 2.712 -0.643 0.000) 2.787 8.888 ( 1.764 -0.405 0.000) 1.810 9.082 ( -1.910 0.261 -0.000) 1.928 9.179 ( 0.358 0.489 -0.000) 0.606 9.221 ( -0.818 0.117 -0.000) 0.827 9.263 ( 0.034 -0.163 0.000) 0.166 9.324 ( -0.264 0.083 -0.000) 0.276 9.950 ( 3.917 -1.601 0.000) 4.232 10.032 ( 2.745 -1.872 0.000) 3.323 10.705 ( -4.167 2.193 -0.000) 4.709 10.811 ( -2.912 1.598 -0.000) 3.321 ======================= Grid point 23 (16/171) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.225 ( 0.000 -0.000 13.798) 13.798 0.254 ( 0.000 -0.000 15.454) 15.454 0.414 ( 0.000 -0.000 25.533) 25.533 0.750 ( -0.000 0.000 -5.326) 5.326 0.830 ( -0.000 0.000 -5.737) 5.737 1.309 ( -0.000 0.000 -8.082) 8.082 2.117 ( 0.000 -0.000 1.007) 1.007 2.208 ( -0.000 0.000 -3.059) 3.059 2.212 ( 0.000 -0.000 2.174) 2.174 2.314 ( 0.000 -0.000 1.822) 1.822 2.443 ( 0.000 -0.000 1.113) 1.113 2.587 ( -0.000 0.000 -0.836) 0.836 2.600 ( -0.000 0.000 -0.031) 0.031 2.609 ( -0.000 0.000 -1.319) 1.319 2.980 ( 0.000 -0.000 0.309) 0.309 2.990 ( 0.000 -0.000 0.033) 0.033 3.042 ( -0.000 0.000 -0.459) 0.459 3.280 ( -0.000 0.000 -8.390) 8.390 3.487 ( 0.000 -0.000 1.851) 1.851 3.574 ( 0.000 -0.000 2.296) 2.296 3.683 ( 0.000 -0.000 1.681) 1.681 3.705 ( -0.000 0.000 -0.442) 0.442 3.807 ( -0.000 0.000 -0.579) 0.579 3.848 ( -0.000 0.000 -1.863) 1.863 4.329 ( 0.000 -0.000 0.137) 0.137 4.334 ( 0.000 -0.000 0.070) 0.070 4.342 ( -0.000 0.000 -0.023) 0.023 4.352 ( -0.000 0.000 -0.237) 0.237 5.644 ( 0.000 -0.000 0.523) 0.523 5.691 ( -0.000 0.000 -0.811) 0.811 7.246 ( 0.000 -0.000 0.296) 0.296 7.267 ( -0.000 0.000 -0.298) 0.298 7.278 ( 0.000 -0.000 0.238) 0.238 7.295 ( -0.000 0.000 -0.243) 0.243 7.850 ( -0.000 0.000 -0.076) 0.076 7.858 ( -0.000 0.000 -0.586) 0.586 7.913 ( 0.000 -0.000 1.425) 1.425 7.987 ( -0.000 0.000 -0.963) 0.963 8.419 ( 0.000 -0.000 0.081) 0.081 8.438 ( -0.000 0.000 -0.781) 0.781 8.468 ( 0.000 -0.000 0.923) 0.923 8.498 ( -0.000 0.000 -0.281) 0.281 8.807 ( 0.000 -0.000 0.232) 0.232 8.842 ( -0.000 0.000 -0.761) 0.761 9.067 ( 0.000 -0.000 0.588) 0.588 9.122 ( -0.000 0.000 -0.979) 0.979 9.162 ( 0.000 -0.000 0.879) 0.879 9.189 ( 0.000 -0.000 0.621) 0.621 9.230 ( -0.000 0.000 -0.477) 0.477 9.244 ( -0.000 0.000 -1.417) 1.417 9.877 ( 0.000 -0.000 1.166) 1.166 9.958 ( -0.000 0.000 -1.206) 1.206 10.813 ( 0.000 -0.000 0.441) 0.441 10.866 ( -0.000 0.000 -1.087) 1.087 ======================= Grid point 24 (17/171) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.339 ( -3.507 3.294 13.169) 14.021 0.421 ( -7.588 6.575 10.772) 14.726 0.783 ( -6.730 8.355 -2.891) 11.111 0.839 ( -20.920 9.059 8.422) 24.303 0.945 ( -9.287 5.873 -9.545) 14.554 1.235 ( -0.596 -0.205 -4.082) 4.130 2.125 ( -0.069 -0.038 0.934) 0.937 2.208 ( -0.221 1.096 -2.968) 3.172 2.227 ( -0.068 0.866 2.450) 2.600 2.330 ( 1.001 2.166 0.310) 2.406 2.485 ( -2.871 -0.037 1.795) 3.386 2.618 ( -2.344 0.957 0.006) 2.532 2.621 ( -2.067 0.988 -0.034) 2.291 2.680 ( -5.441 0.315 -5.732) 7.909 2.899 ( 3.477 -6.312 -2.451) 7.612 2.979 ( 1.065 0.594 0.134) 1.226 3.058 ( -0.610 0.587 0.448) 0.957 3.187 ( 4.258 -1.917 -1.717) 4.976 3.453 ( 4.357 -1.454 2.001) 5.010 3.526 ( 4.677 -2.799 2.476) 5.986 3.623 ( 5.091 -4.223 -1.279) 6.737 3.643 ( 4.261 -3.118 1.173) 5.409 3.754 ( 3.792 -1.875 -0.328) 4.243 3.795 ( 3.989 -0.966 -1.804) 4.483 4.271 ( 5.337 -3.153 0.160) 6.201 4.285 ( 5.310 -2.852 -0.170) 6.030 4.315 ( 1.923 -1.135 0.150) 2.238 4.327 ( 2.147 -1.280 -0.227) 2.510 5.572 ( 6.217 -4.264 0.572) 7.560 5.611 ( 6.531 -3.911 -0.721) 7.647 7.265 ( -0.961 1.846 0.303) 2.103 7.281 ( -0.595 2.042 -0.286) 2.146 7.312 ( -3.435 0.742 0.319) 3.529 7.327 ( -3.413 0.733 -0.219) 3.498 7.856 ( -0.737 -0.236 -0.071) 0.777 7.867 ( -1.089 0.372 -0.438) 1.232 7.926 ( -0.610 0.408 1.409) 1.589 7.985 ( -0.059 0.388 -1.093) 1.161 8.453 ( -2.408 1.941 0.040) 3.093 8.474 ( -2.579 3.224 -0.334) 4.142 8.513 ( -4.689 1.676 1.302) 5.147 8.551 ( -5.382 2.246 -0.328) 5.841 8.824 ( -1.461 0.392 0.698) 1.666 8.849 ( -0.801 -0.351 -0.039) 0.875 8.876 ( 4.465 -1.832 7.306) 8.756 9.086 ( 2.415 -0.895 -2.764) 3.778 9.185 ( -0.654 -1.028 0.745) 1.428 9.226 ( 0.446 0.103 -0.655) 0.799 9.254 ( -1.292 0.523 -0.223) 1.412 9.290 ( -1.966 2.101 -2.366) 3.726 9.903 ( -2.056 0.831 1.370) 2.607 9.971 ( -1.608 0.907 -1.288) 2.251 10.787 ( 2.424 -1.330 0.733) 2.860 10.841 ( 1.646 -0.898 -1.507) 2.406 ======================= Grid point 25 (18/171) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.543 ( -12.202 4.297 5.325) 13.990 0.640 ( -7.863 4.193 4.981) 10.209 0.898 ( -4.619 3.555 -6.405) 8.660 0.931 ( -1.363 2.670 -6.695) 7.336 1.435 ( -26.680 15.378 4.497) 31.121 1.512 ( -20.990 11.127 0.705) 23.768 2.122 ( 0.435 -0.637 0.794) 1.107 2.206 ( 0.420 1.052 -2.174) 2.451 2.242 ( 0.646 0.840 2.338) 2.568 2.321 ( 1.484 0.514 -0.567) 1.670 2.531 ( -2.465 -2.670 3.072) 4.758 2.678 ( -2.846 -1.805 0.534) 3.412 2.695 ( -4.746 2.477 -0.369) 5.366 2.712 ( -0.755 1.786 1.036) 2.199 2.798 ( -0.892 -3.473 -6.737) 7.632 2.967 ( 1.469 1.603 0.020) 2.175 3.040 ( 2.730 -2.262 -3.017) 4.655 3.115 ( 2.838 -0.601 3.042) 4.204 3.306 ( 13.009 -7.571 1.607) 15.137 3.327 ( 11.015 -7.189 1.455) 13.233 3.506 ( 4.556 -2.973 -2.015) 5.802 3.530 ( 5.211 -0.966 -0.240) 5.305 3.668 ( 4.101 -2.214 0.045) 4.660 3.718 ( 3.498 -0.700 -0.532) 3.607 4.105 ( 9.258 -6.002 0.203) 11.035 4.121 ( 9.158 -5.966 -0.216) 10.932 4.240 ( 5.600 -2.720 -0.079) 6.226 4.244 ( 5.795 -2.959 0.001) 6.507 5.387 ( 9.313 -6.454 0.008) 11.330 5.429 ( 9.393 -5.060 0.071) 10.670 7.309 ( -1.539 2.676 0.065) 3.087 7.321 ( -1.372 3.120 -0.062) 3.408 7.399 ( -5.415 1.407 0.372) 5.607 7.411 ( -5.288 1.440 -0.227) 5.485 7.865 ( -1.053 -0.976 0.076) 1.438 7.888 ( -1.150 -0.497 -0.183) 1.266 7.949 ( -0.741 1.209 0.838) 1.647 7.987 ( 0.056 1.042 -0.819) 1.327 8.530 ( -4.164 2.484 -0.057) 4.849 8.554 ( -3.619 2.948 0.060) 4.668 8.659 ( -7.872 4.431 0.958) 9.084 8.700 ( -8.144 4.442 -0.204) 9.279 8.851 ( -0.481 0.146 4.333) 4.362 8.868 ( -2.569 0.436 0.122) 2.609 8.888 ( -1.671 0.852 0.533) 1.950 9.026 ( 2.061 -0.288 -4.213) 4.699 9.188 ( -0.183 -0.520 0.648) 0.851 9.214 ( 0.624 -0.179 -0.618) 0.896 9.277 ( -0.493 0.422 0.903) 1.113 9.310 ( -0.291 0.386 -1.026) 1.134 9.968 ( -3.659 1.552 1.320) 4.188 10.018 ( -3.082 1.852 -1.126) 3.768 10.723 ( 3.731 -2.035 1.427) 4.484 10.784 ( 2.925 -1.610 -1.929) 3.856 ======================= Grid point 26 (19/171) ======================= q-point: ( 0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( -11.911 3.184 -0.885) 12.361 0.830 ( -14.821 3.835 0.257) 15.311 1.061 ( -13.514 7.359 1.176) 15.433 1.063 ( -6.923 5.335 -2.317) 9.042 1.986 ( -20.841 11.885 0.574) 23.999 2.011 ( -22.852 13.027 0.065) 26.304 2.107 ( 0.498 -0.493 0.556) 0.895 2.197 ( 1.050 0.744 -0.542) 1.397 2.236 ( 0.727 0.775 0.669) 1.255 2.296 ( 0.210 -1.117 -0.309) 1.178 2.541 ( -0.301 -1.940 3.936) 4.399 2.625 ( 1.703 -3.559 -1.063) 4.086 2.784 ( 0.561 1.768 1.305) 2.268 2.799 ( -4.856 1.585 0.191) 5.111 2.852 ( -7.532 0.122 -0.089) 7.534 2.891 ( 13.121 -6.527 -0.050) 14.655 2.917 ( 11.830 -6.441 -3.155) 13.834 2.980 ( -1.079 2.107 -0.193) 2.375 3.079 ( 8.583 -6.804 -0.121) 10.954 3.126 ( 2.389 -0.095 2.119) 3.195 3.405 ( 4.490 -1.192 0.460) 4.668 3.452 ( 3.736 -0.067 -2.258) 4.365 3.577 ( 4.431 -2.431 0.160) 5.057 3.664 ( 2.362 -0.497 0.181) 2.421 3.868 ( 11.346 -7.905 0.294) 13.832 3.883 ( 11.176 -8.105 -0.311) 13.809 4.056 ( 11.994 -5.855 0.512) 13.357 4.073 ( 10.548 -5.452 -0.384) 11.880 5.186 ( 7.357 -5.122 -0.315) 8.970 5.236 ( 8.191 -3.980 0.436) 9.117 7.362 ( -1.687 2.570 -0.122) 3.077 7.377 ( -1.676 2.952 0.101) 3.396 7.507 ( -5.258 1.831 0.144) 5.569 7.517 ( -5.680 1.848 -0.071) 5.973 7.870 ( -0.730 -1.765 0.414) 1.954 7.882 ( 0.113 -2.025 -0.398) 2.067 7.981 ( -0.882 1.894 0.410) 2.129 7.998 ( 0.001 1.657 -0.411) 1.707 8.624 ( -4.270 2.306 -0.137) 4.855 8.643 ( -3.806 2.420 0.138) 4.512 8.819 ( -4.711 3.099 2.002) 5.984 8.860 ( -5.408 2.634 0.016) 6.016 8.903 ( -3.711 1.589 0.605) 4.082 8.922 ( -2.364 1.519 0.996) 2.981 8.939 ( -4.052 1.779 0.153) 4.427 8.992 ( -0.289 0.910 -3.566) 3.691 9.186 ( 0.108 -0.469 0.362) 0.602 9.199 ( 0.724 -0.155 -0.346) 0.817 9.280 ( 0.800 -0.287 1.058) 1.358 9.303 ( 0.669 -0.437 -0.632) 1.019 10.057 ( -4.562 1.936 0.644) 4.998 10.098 ( -4.389 2.708 -0.477) 5.179 10.642 ( 4.287 -2.375 2.080) 5.324 10.701 ( 3.984 -2.203 -2.132) 5.027 ======================= Grid point 27 (20/171) ======================= q-point: ( 0.60 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( -10.213 2.392 0.906) 10.529 1.128 ( -13.588 5.212 -1.028) 14.590 1.218 ( -10.323 4.465 -0.175) 11.249 1.423 ( -17.823 10.034 0.383) 20.457 2.078 ( 1.228 -0.878 0.113) 1.514 2.144 ( 5.025 -1.674 0.039) 5.297 2.188 ( 1.444 -1.087 -1.001) 2.066 2.209 ( 0.425 1.276 -0.393) 1.402 2.347 ( 9.365 -6.083 -0.318) 11.172 2.377 ( -4.866 -1.005 -0.073) 4.970 2.462 ( 0.152 -0.108 0.658) 0.684 2.583 ( 14.636 -7.866 0.405) 16.621 2.678 ( -9.199 5.085 1.449) 10.610 2.734 ( -8.875 6.780 1.411) 11.257 2.847 ( 0.784 4.214 -0.028) 4.286 2.881 ( -7.423 1.848 1.741) 7.845 2.951 ( -1.090 -2.186 -2.061) 3.196 3.051 ( -9.958 4.246 -0.971) 10.869 3.108 ( -7.159 2.167 0.951) 7.540 3.120 ( -2.463 2.979 0.269) 3.875 3.328 ( 5.056 -1.516 0.469) 5.299 3.385 ( 2.868 -0.489 -2.615) 3.912 3.469 ( 5.813 -2.668 0.421) 6.410 3.595 ( 10.993 -6.983 0.253) 13.025 3.601 ( 11.423 -7.172 -0.092) 13.488 3.646 ( 2.026 -3.813 -0.007) 4.318 3.738 ( 18.445 -7.997 0.775) 20.120 3.818 ( 11.256 -6.313 -0.215) 12.907 5.064 ( 2.957 -2.456 -0.221) 3.850 5.103 ( 4.628 -1.866 0.271) 4.997 7.407 ( -1.217 1.641 -0.090) 2.045 7.424 ( -1.111 1.669 0.072) 2.006 7.594 ( -3.120 1.590 -0.138) 3.505 7.623 ( -4.556 1.855 0.208) 4.923 7.839 ( 1.469 -2.144 -0.220) 2.608 7.871 ( -0.496 -1.693 0.192) 1.775 8.006 ( -0.002 1.173 0.211) 1.192 8.015 ( -0.502 1.275 -0.202) 1.385 8.701 ( -2.752 1.344 -0.101) 3.065 8.716 ( -2.409 1.490 0.094) 2.834 8.878 ( -0.824 0.382 1.335) 1.615 8.914 ( -1.024 0.398 0.094) 1.103 8.951 ( -1.195 0.338 -0.275) 1.272 8.965 ( -0.582 0.592 -0.914) 1.234 9.039 ( -5.754 3.185 -0.063) 6.577 9.090 ( -6.134 3.728 -0.218) 7.182 9.179 ( 0.151 -0.439 0.023) 0.465 9.186 ( 0.662 0.057 -0.026) 0.665 9.251 ( 2.298 -1.328 0.599) 2.721 9.273 ( 1.895 -1.226 -0.287) 2.275 10.153 ( -4.489 1.808 -0.068) 4.840 10.196 ( -3.819 2.495 0.127) 4.564 10.558 ( 3.979 -2.371 1.739) 4.948 10.605 ( 3.668 -1.982 -1.647) 4.483 ======================= Grid point 28 (21/171) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( 2.564 -0.219 0.231) 2.583 1.186 ( -2.601 0.053 -0.241) 2.613 1.459 ( 0.222 -1.925 -0.006) 1.937 1.696 ( 0.647 1.388 0.020) 1.532 1.992 ( -3.236 0.572 0.216) 3.293 2.060 ( 0.102 0.205 0.027) 0.231 2.122 ( 0.266 -0.808 -0.856) 1.207 2.220 ( 0.171 1.019 1.206) 1.588 2.228 ( -0.186 0.880 -0.789) 1.197 2.283 ( 2.090 -0.652 0.626) 2.277 2.447 ( 0.679 -0.707 0.062) 0.982 2.478 ( -2.029 -1.309 -0.880) 2.570 2.774 ( 3.068 0.038 2.927) 4.240 2.811 ( -0.589 0.627 -2.832) 2.960 2.872 ( -0.369 -1.229 0.295) 1.317 3.068 ( -1.332 -1.209 0.268) 1.819 3.094 ( 11.036 -6.824 -0.534) 12.986 3.204 ( -6.082 4.759 0.074) 7.723 3.232 ( -12.886 9.324 0.154) 15.906 3.256 ( 4.018 -4.443 0.117) 5.992 3.327 ( -2.366 -4.051 -0.038) 4.692 3.337 ( 7.939 -2.669 -0.003) 8.376 3.340 ( -8.411 1.136 0.134) 8.489 3.342 ( 6.915 5.297 -0.126) 8.712 3.384 ( 0.834 -4.411 0.085) 4.490 3.409 ( -0.102 3.829 -0.136) 3.833 3.655 ( 2.823 -3.397 -0.077) 4.418 3.662 ( -3.009 1.374 0.073) 3.308 5.035 ( -0.934 -0.367 -0.001) 1.004 5.051 ( 0.873 0.153 0.000) 0.887 7.427 ( -0.088 0.172 0.004) 0.194 7.441 ( 0.039 -0.213 -0.005) 0.216 7.632 ( -0.161 0.415 0.007) 0.445 7.674 ( 0.424 -0.485 -0.009) 0.644 7.813 ( -0.505 0.452 0.004) 0.678 7.862 ( 0.338 -0.338 -0.002) 0.478 8.010 ( 0.126 0.018 0.004) 0.127 8.026 ( -0.177 -0.115 -0.003) 0.211 8.732 ( -0.225 -0.078 -0.006) 0.238 8.743 ( 0.209 0.073 0.006) 0.221 8.877 ( 0.585 -1.151 -0.009) 1.291 8.925 ( 0.565 0.976 0.210) 1.147 8.955 ( 0.461 0.365 -0.459) 0.746 8.985 ( -1.569 -0.509 0.271) 1.671 9.129 ( -0.782 0.333 -0.009) 0.850 9.174 ( 0.125 -0.058 0.043) 0.144 9.177 ( 0.548 -0.150 -0.043) 0.570 9.193 ( -0.310 0.724 0.019) 0.787 9.198 ( 0.652 -1.043 -0.024) 1.230 9.224 ( -0.190 0.026 0.002) 0.192 10.220 ( -1.562 0.114 -0.028) 1.566 10.234 ( 1.478 -0.294 0.031) 1.507 10.493 ( 1.335 -1.041 -0.008) 1.693 10.569 ( -1.281 0.745 0.005) 1.481 ======================= Grid point 29 (22/171) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( 11.948 -4.618 0.000) 12.809 1.188 ( 2.545 -3.115 0.000) 4.022 1.201 ( 14.695 -6.237 0.000) 15.964 1.407 ( 21.017 -8.137 0.000) 22.537 2.073 ( -1.052 0.731 -0.000) 1.281 2.153 ( -1.953 -0.317 -0.000) 1.978 2.220 ( -3.903 0.904 -0.000) 4.006 2.222 ( 0.952 0.813 -0.000) 1.252 2.355 ( -12.748 7.333 -0.000) 14.707 2.393 ( 3.618 -0.959 0.000) 3.743 2.460 ( -4.900 4.335 -0.000) 6.543 2.544 ( -5.112 2.334 -0.000) 5.620 2.619 ( 1.342 -2.593 0.000) 2.919 2.649 ( 19.335 -12.426 0.000) 22.984 2.849 ( 2.551 2.410 -0.000) 3.509 2.937 ( -1.217 -2.192 0.000) 2.507 2.938 ( -0.315 -3.751 0.000) 3.764 3.055 ( 10.036 0.892 0.000) 10.076 3.101 ( 1.153 -5.214 0.000) 5.340 3.105 ( 8.735 -5.165 0.000) 10.148 3.369 ( -0.894 3.331 -0.000) 3.449 3.396 ( -2.194 0.861 -0.000) 2.356 3.497 ( -7.231 2.618 -0.000) 7.691 3.589 ( -11.962 8.621 -0.000) 14.745 3.594 ( -6.211 5.420 -0.000) 8.243 3.643 ( -6.799 1.853 -0.000) 7.047 3.711 ( -18.863 8.506 -0.000) 20.692 3.824 ( -12.182 6.072 -0.000) 13.611 5.079 ( -2.987 2.356 -0.000) 3.804 5.086 ( -4.708 1.565 -0.000) 4.961 7.411 ( 1.179 -1.418 0.000) 1.844 7.420 ( 1.073 -1.984 0.000) 2.256 7.603 ( 3.111 -1.137 0.000) 3.312 7.611 ( 4.578 -2.070 0.000) 5.024 7.852 ( -1.515 2.330 -0.000) 2.779 7.859 ( 0.625 1.345 -0.000) 1.483 8.001 ( 0.448 -1.197 0.000) 1.278 8.020 ( 0.011 -1.385 0.000) 1.385 8.708 ( 2.222 -1.448 0.000) 2.652 8.710 ( 2.933 -1.396 0.000) 3.248 8.841 ( 1.857 -2.068 0.000) 2.779 8.913 ( 1.921 0.566 0.000) 2.003 8.943 ( 1.201 0.274 0.000) 1.231 9.000 ( -0.708 -1.275 0.000) 1.458 9.040 ( 6.239 -3.818 0.000) 7.314 9.102 ( 4.927 -2.833 0.000) 5.684 9.179 ( 0.258 0.372 -0.000) 0.453 9.187 ( -0.930 0.075 -0.000) 0.933 9.229 ( -2.072 0.779 -0.000) 2.213 9.280 ( -2.104 1.430 -0.000) 2.544 10.156 ( 5.259 -2.285 0.000) 5.734 10.191 ( 3.045 -2.395 0.000) 3.874 10.519 ( -3.506 1.639 -0.000) 3.870 10.640 ( -4.374 2.414 -0.000) 4.996 ======================= Grid point 34 (23/171) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.332 ( 0.000 -0.000 13.048) 13.048 0.373 ( 0.000 -0.000 14.345) 14.345 0.613 ( 0.000 -0.000 24.434) 24.434 0.699 ( -0.000 0.000 -7.280) 7.280 0.775 ( -0.000 0.000 -8.126) 8.126 1.228 ( -0.000 0.000 -12.263) 12.263 2.126 ( 0.000 -0.000 1.290) 1.290 2.185 ( -0.000 0.000 -2.589) 2.589 2.233 ( 0.000 -0.000 2.983) 2.983 2.320 ( -0.000 0.000 -0.540) 0.540 2.459 ( 0.000 -0.000 2.799) 2.799 2.574 ( -0.000 0.000 -2.489) 2.489 2.599 ( -0.000 0.000 -0.039) 0.039 2.602 ( -0.000 0.000 -0.554) 0.554 2.982 ( 0.000 -0.000 0.363) 0.363 2.990 ( -0.000 0.000 -0.025) 0.025 3.043 ( 0.000 -0.000 0.863) 0.863 3.211 ( -0.000 0.000 -8.677) 8.677 3.504 ( 0.000 -0.000 2.507) 2.507 3.583 ( -0.000 0.000 -0.289) 0.289 3.698 ( 0.000 -0.000 1.975) 1.975 3.707 ( 0.000 -0.000 0.882) 0.882 3.801 ( -0.000 0.000 -0.812) 0.812 3.831 ( -0.000 0.000 -2.351) 2.351 4.330 ( 0.000 -0.000 0.180) 0.180 4.334 ( 0.000 -0.000 0.025) 0.025 4.342 ( 0.000 -0.000 0.050) 0.050 4.350 ( -0.000 0.000 -0.306) 0.306 5.650 ( 0.000 -0.000 0.776) 0.776 5.684 ( -0.000 0.000 -1.065) 1.065 7.249 ( 0.000 -0.000 0.406) 0.406 7.264 ( -0.000 0.000 -0.406) 0.406 7.280 ( 0.000 -0.000 0.326) 0.326 7.292 ( -0.000 0.000 -0.333) 0.333 7.849 ( -0.000 0.000 -0.063) 0.063 7.854 ( -0.000 0.000 -0.463) 0.463 7.925 ( 0.000 -0.000 1.656) 1.656 7.977 ( -0.000 0.000 -1.330) 1.330 8.420 ( 0.000 -0.000 0.150) 0.150 8.432 ( -0.000 0.000 -0.655) 0.655 8.475 ( 0.000 -0.000 0.855) 0.855 8.495 ( -0.000 0.000 -0.410) 0.410 8.810 ( 0.000 -0.000 0.418) 0.418 8.835 ( -0.000 0.000 -0.947) 0.947 9.072 ( 0.000 -0.000 0.890) 0.890 9.113 ( -0.000 0.000 -1.281) 1.281 9.171 ( 0.000 -0.000 1.290) 1.290 9.195 ( 0.000 -0.000 0.778) 0.778 9.225 ( -0.000 0.000 -0.677) 0.677 9.231 ( -0.000 0.000 -1.781) 1.781 9.888 ( 0.000 -0.000 1.591) 1.591 9.947 ( -0.000 0.000 -1.635) 1.635 10.817 ( 0.000 -0.000 0.731) 0.731 10.856 ( -0.000 0.000 -1.377) 1.377 ======================= Grid point 35 (24/171) ======================= q-point: ( 0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.446 ( -2.344 2.377 12.963) 13.386 0.511 ( -4.981 6.748 12.038) 14.672 0.738 ( -3.762 6.230 -6.939) 10.055 0.846 ( -6.231 4.036 -11.252) 13.480 0.941 ( -20.010 9.417 11.504) 24.928 1.191 ( -6.042 1.939 -6.986) 9.438 2.134 ( 0.064 -0.014 1.273) 1.275 2.185 ( -0.337 1.027 -2.605) 2.821 2.250 ( 0.053 0.881 3.297) 3.413 2.324 ( 0.758 1.814 -1.781) 2.653 2.507 ( -3.602 -0.896 3.473) 5.083 2.618 ( -2.730 0.562 -0.139) 2.791 2.620 ( -2.076 1.057 -0.039) 2.330 2.636 ( -5.484 1.175 -5.089) 7.573 2.884 ( 4.673 -7.117 -1.383) 8.625 2.980 ( 1.219 0.819 0.111) 1.473 3.064 ( -0.014 -0.107 1.073) 1.079 3.164 ( 2.154 0.507 -3.406) 4.062 3.471 ( 4.222 -2.221 2.432) 5.355 3.537 ( 3.355 -2.564 0.091) 4.224 3.615 ( 7.746 -4.114 -0.386) 8.779 3.655 ( 5.486 -1.686 1.581) 5.953 3.751 ( 3.027 -2.820 -0.291) 4.148 3.780 ( 3.206 -1.293 -1.804) 3.899 4.272 ( 5.299 -3.212 0.161) 6.198 4.284 ( 5.326 -2.822 -0.169) 6.030 4.316 ( 1.945 -1.221 0.174) 2.304 4.325 ( 2.147 -1.199 -0.240) 2.471 5.578 ( 6.335 -4.406 0.715) 7.750 5.605 ( 6.288 -3.771 -0.845) 7.381 7.268 ( -0.878 1.852 0.367) 2.082 7.278 ( -0.681 2.043 -0.356) 2.183 7.315 ( -3.453 0.751 0.398) 3.556 7.325 ( -3.459 0.753 -0.349) 3.558 7.855 ( -0.747 -0.255 -0.065) 0.791 7.864 ( -1.142 0.456 -0.279) 1.261 7.938 ( -0.472 0.333 1.555) 1.659 7.975 ( -0.164 0.384 -1.363) 1.425 8.453 ( -2.400 1.881 0.008) 3.049 8.472 ( -2.673 3.442 -0.238) 4.364 8.522 ( -4.799 1.362 0.912) 5.072 8.549 ( -5.339 2.463 -0.371) 5.892 8.828 ( -1.670 0.402 0.518) 1.794 8.844 ( -1.372 0.197 -0.750) 1.576 8.935 ( 5.516 -2.516 6.984) 9.248 9.060 ( 3.180 -1.302 -3.724) 5.067 9.192 ( -0.552 -0.952 0.938) 1.446 9.220 ( 0.278 -0.127 -0.916) 0.966 9.253 ( -1.804 1.092 0.046) 2.109 9.274 ( -2.336 2.347 -1.768) 3.754 9.915 ( -2.003 0.842 1.712) 2.767 9.959 ( -1.748 0.908 -1.667) 2.581 10.794 ( 2.285 -1.265 1.054) 2.816 10.828 ( 1.808 -0.992 -1.623) 2.624 ======================= Grid point 36 (25/171) ======================= q-point: ( 0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.594 ( -8.346 2.759 7.095) 11.297 0.669 ( -4.512 1.970 1.290) 5.089 0.851 ( -5.929 4.612 -4.228) 8.620 0.881 ( -5.607 5.690 -5.598) 9.754 1.470 ( -24.967 13.790 3.960) 28.795 1.512 ( -21.680 11.516 -0.886) 24.564 2.129 ( 0.682 -0.601 0.766) 1.189 2.190 ( 0.076 1.253 -1.692) 2.107 2.264 ( 1.000 0.540 2.971) 3.181 2.310 ( 1.113 0.481 -1.905) 2.258 2.557 ( -2.613 -2.887 3.088) 4.969 2.680 ( -3.066 -1.244 -0.087) 3.310 2.693 ( -4.671 2.270 -0.170) 5.196 2.717 ( -2.707 2.363 -0.071) 3.594 2.753 ( -0.276 -3.974 -3.812) 5.514 2.967 ( 2.075 2.463 -0.006) 3.221 3.021 ( 2.947 -3.342 -1.780) 4.798 3.133 ( 2.468 0.065 1.497) 2.887 3.320 ( 13.188 -8.660 1.657) 15.864 3.335 ( 10.702 -8.007 0.373) 13.371 3.490 ( 4.133 -0.610 -1.666) 4.498 3.529 ( 7.146 -0.438 0.051) 7.159 3.669 ( 3.624 -2.828 0.158) 4.600 3.714 ( 2.688 -1.312 -0.423) 3.021 4.107 ( 9.206 -6.041 0.158) 11.012 4.119 ( 9.183 -5.979 -0.166) 10.959 4.239 ( 5.678 -2.746 -0.047) 6.307 4.244 ( 5.701 -2.910 -0.003) 6.401 5.387 ( 9.476 -6.632 0.019) 11.566 5.429 ( 9.141 -4.926 0.028) 10.384 7.310 ( -1.419 2.641 0.043) 2.998 7.321 ( -1.495 3.129 -0.041) 3.468 7.402 ( -5.387 1.423 0.414) 5.587 7.408 ( -5.295 1.444 -0.332) 5.498 7.866 ( -1.144 -0.917 0.050) 1.467 7.887 ( -1.156 -0.494 -0.110) 1.262 7.956 ( -0.410 1.069 0.758) 1.373 7.981 ( -0.233 1.114 -0.752) 1.364 8.529 ( -4.116 2.504 -0.042) 4.818 8.555 ( -3.649 3.016 0.034) 4.734 8.665 ( -8.107 4.162 0.547) 9.130 8.699 ( -8.090 4.675 -0.157) 9.345 8.868 ( -2.088 0.002 0.124) 2.091 8.875 ( -2.420 0.247 0.896) 2.593 8.907 ( 0.664 0.635 4.470) 4.564 8.989 ( 1.976 -0.201 -4.968) 5.351 9.193 ( -0.050 -0.542 0.694) 0.882 9.209 ( 0.469 -0.197 -0.677) 0.847 9.285 ( -0.605 0.534 0.980) 1.270 9.301 ( -0.508 0.534 -1.077) 1.305 9.979 ( -3.433 1.473 1.368) 3.978 10.008 ( -3.344 1.912 -1.250) 4.049 10.735 ( 3.484 -1.950 1.744) 4.357 10.768 ( 3.031 -1.653 -2.044) 4.013 ======================= Grid point 37 (26/171) ======================= q-point: ( 0.60 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( -14.330 2.702 -0.896) 14.610 0.839 ( -12.341 3.399 0.865) 12.829 1.048 ( -7.767 5.950 -1.105) 9.847 1.069 ( -13.405 7.942 0.461) 15.588 1.989 ( -20.721 11.831 0.217) 23.861 2.012 ( -21.811 12.247 0.020) 25.014 2.111 ( 0.480 -0.264 0.258) 0.606 2.192 ( 0.335 0.955 -0.424) 1.097 2.243 ( 1.819 0.296 0.615) 1.943 2.293 ( -0.377 -1.078 -0.303) 1.182 2.574 ( -0.219 -1.931 4.223) 4.649 2.606 ( 1.442 -3.215 -3.394) 4.893 2.795 ( -3.083 2.044 1.091) 3.857 2.802 ( -3.762 1.554 0.265) 4.079 2.850 ( -8.834 2.497 -0.104) 9.180 2.887 ( 9.562 -4.491 -0.880) 10.601 2.900 ( 17.176 -10.920 -0.713) 20.366 2.979 ( -0.748 2.667 -0.110) 2.772 3.079 ( 9.360 -7.974 -0.048) 12.296 3.138 ( 2.370 -0.157 0.771) 2.497 3.414 ( 4.450 -0.357 1.766) 4.801 3.432 ( 4.334 0.090 -2.514) 5.012 3.579 ( 4.308 -2.715 0.157) 5.095 3.664 ( 2.024 -0.808 0.035) 2.179 3.870 ( 11.302 -7.867 0.156) 13.771 3.881 ( 11.196 -8.190 -0.162) 13.872 4.059 ( 11.792 -5.687 0.289) 13.095 4.071 ( 10.644 -5.585 -0.240) 12.023 5.184 ( 7.366 -5.186 -0.109) 9.009 5.239 ( 8.149 -3.983 0.155) 9.072 7.361 ( -1.666 2.561 -0.043) 3.056 7.378 ( -1.705 2.936 0.035) 3.396 7.508 ( -5.036 1.815 0.063) 5.354 7.516 ( -5.874 1.893 -0.035) 6.171 7.873 ( -0.962 -1.700 0.327) 1.980 7.879 ( 0.338 -2.110 -0.321) 2.161 7.984 ( -0.855 1.987 0.231) 2.175 7.995 ( -0.049 1.560 -0.231) 1.578 8.624 ( -4.249 2.304 -0.049) 4.834 8.644 ( -3.817 2.428 0.049) 4.525 8.831 ( -5.655 3.209 0.822) 6.554 8.860 ( -5.162 2.947 -0.033) 5.944 8.905 ( -2.905 0.722 0.086) 2.995 8.935 ( -1.233 1.082 1.341) 2.118 8.942 ( -3.819 1.887 1.155) 4.414 8.964 ( -1.679 1.532 -3.282) 3.992 9.188 ( 0.227 -0.560 0.226) 0.645 9.196 ( 0.607 -0.068 -0.220) 0.649 9.287 ( 0.882 -0.356 0.712) 1.188 9.298 ( 0.526 -0.348 -0.562) 0.845 10.061 ( -4.280 1.795 0.294) 4.650 10.095 ( -4.682 2.807 -0.230) 5.464 10.659 ( 4.188 -2.471 1.873) 5.211 10.684 ( 3.978 -2.104 -1.893) 4.882 ======================= Grid point 38 (27/171) ======================= q-point: ( 0.70 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( -9.840 2.072 -0.000) 10.056 1.124 ( -14.142 5.285 -0.000) 15.097 1.217 ( -10.649 4.542 -0.000) 11.577 1.425 ( -17.499 10.204 -0.000) 20.257 2.078 ( 1.246 -0.908 0.000) 1.542 2.145 ( 5.298 -1.850 0.000) 5.612 2.184 ( 1.597 -1.037 0.000) 1.904 2.208 ( 0.218 1.347 -0.000) 1.364 2.345 ( 9.384 -6.197 0.000) 11.245 2.377 ( -5.791 -0.585 -0.000) 5.821 2.465 ( 0.438 -0.196 0.000) 0.480 2.585 ( 15.076 -8.094 0.000) 17.112 2.684 ( -7.426 3.338 -0.000) 8.141 2.739 ( -11.144 8.854 -0.000) 14.233 2.848 ( 1.230 2.788 -0.000) 3.047 2.890 ( -6.583 3.837 -0.000) 7.620 2.941 ( -2.027 -3.097 0.000) 3.702 3.047 ( -9.895 3.541 -0.000) 10.509 3.111 ( -9.349 3.781 -0.000) 10.084 3.121 ( -0.437 1.661 -0.000) 1.718 3.331 ( 6.267 -1.635 0.000) 6.477 3.372 ( 2.149 -0.289 0.000) 2.169 3.471 ( 5.714 -2.539 0.000) 6.252 3.596 ( 10.656 -6.204 0.000) 12.330 3.601 ( 12.027 -7.952 0.000) 14.418 3.646 ( 1.777 -4.005 0.000) 4.382 3.741 ( 18.380 -7.975 0.000) 20.036 3.817 ( 11.111 -6.333 0.000) 12.789 5.063 ( 2.924 -2.485 0.000) 3.837 5.104 ( 4.649 -1.879 0.000) 5.015 7.406 ( -1.222 1.650 -0.000) 2.054 7.425 ( -1.114 1.649 -0.000) 1.990 7.593 ( -3.099 1.609 -0.000) 3.492 7.624 ( -4.576 1.862 -0.000) 4.940 7.838 ( 1.504 -2.155 0.000) 2.628 7.872 ( -0.522 -1.699 0.000) 1.778 8.007 ( 0.156 1.174 -0.000) 1.184 8.014 ( -0.665 1.260 -0.000) 1.425 8.701 ( -2.765 1.340 -0.000) 3.073 8.716 ( -2.397 1.493 -0.000) 2.824 8.884 ( -0.701 -0.196 -0.000) 0.728 8.915 ( -0.814 1.025 -0.000) 1.309 8.949 ( -0.672 0.539 -0.000) 0.862 8.962 ( -1.388 0.268 -0.000) 1.413 9.038 ( -5.718 3.125 -0.000) 6.516 9.089 ( -6.227 3.801 -0.000) 7.295 9.179 ( 0.198 -0.457 0.000) 0.498 9.186 ( 0.623 0.079 0.000) 0.628 9.253 ( 2.377 -1.421 0.000) 2.770 9.271 ( 1.822 -1.163 0.000) 2.162 10.153 ( -4.423 1.763 -0.000) 4.761 10.197 ( -3.887 2.502 -0.000) 4.622 10.566 ( 4.268 -2.693 0.000) 5.047 10.597 ( 3.355 -1.692 0.000) 3.758 ======================= Grid point 46 (28/171) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.431 ( 0.000 -0.000 11.609) 11.609 0.477 ( 0.000 -0.000 11.117) 11.117 0.639 ( -0.000 0.000 -7.048) 7.048 0.703 ( -0.000 0.000 -9.739) 9.739 0.801 ( 0.000 -0.000 22.568) 22.568 1.114 ( -0.000 0.000 -16.296) 16.296 2.138 ( 0.000 -0.000 1.529) 1.529 2.166 ( -0.000 0.000 -2.158) 2.158 2.258 ( 0.000 -0.000 3.373) 3.373 2.307 ( -0.000 0.000 -2.346) 2.346 2.486 ( 0.000 -0.000 3.874) 3.874 2.549 ( -0.000 0.000 -3.593) 3.593 2.599 ( -0.000 0.000 -0.034) 0.034 2.599 ( -0.000 0.000 -0.117) 0.117 2.985 ( 0.000 -0.000 0.334) 0.334 2.989 ( -0.000 0.000 -0.128) 0.128 3.059 ( 0.000 -0.000 3.082) 3.082 3.146 ( -0.000 0.000 -7.606) 7.606 3.526 ( 0.000 -0.000 2.927) 2.927 3.572 ( -0.000 0.000 -2.267) 2.267 3.713 ( 0.000 -0.000 1.603) 1.603 3.716 ( 0.000 -0.000 1.227) 1.227 3.796 ( -0.000 0.000 -0.379) 0.379 3.812 ( -0.000 0.000 -2.233) 2.233 4.332 ( 0.000 -0.000 0.192) 0.192 4.334 ( -0.000 0.000 -0.079) 0.079 4.343 ( 0.000 -0.000 0.181) 0.181 4.348 ( -0.000 0.000 -0.325) 0.325 5.657 ( 0.000 -0.000 0.996) 0.996 5.675 ( -0.000 0.000 -1.174) 1.174 7.253 ( 0.000 -0.000 0.476) 0.476 7.260 ( -0.000 0.000 -0.476) 0.476 7.283 ( 0.000 -0.000 0.384) 0.384 7.289 ( -0.000 0.000 -0.389) 0.389 7.849 ( 0.000 -0.000 0.003) 0.003 7.851 ( -0.000 0.000 -0.287) 0.287 7.939 ( 0.000 -0.000 1.745) 1.745 7.966 ( -0.000 0.000 -1.584) 1.584 8.421 ( 0.000 -0.000 0.247) 0.247 8.427 ( -0.000 0.000 -0.510) 0.510 8.481 ( 0.000 -0.000 0.758) 0.758 8.492 ( -0.000 0.000 -0.531) 0.531 8.814 ( 0.000 -0.000 0.638) 0.638 8.827 ( -0.000 0.000 -0.965) 0.965 9.081 ( 0.000 -0.000 1.162) 1.162 9.102 ( -0.000 0.000 -1.403) 1.403 9.182 ( 0.000 -0.000 1.612) 1.612 9.200 ( 0.000 -0.000 0.448) 0.448 9.217 ( -0.000 0.000 -1.502) 1.502 9.219 ( -0.000 0.000 -0.796) 0.796 9.902 ( 0.000 -0.000 1.863) 1.863 9.932 ( -0.000 0.000 -1.893) 1.893 10.824 ( 0.000 -0.000 1.041) 1.041 10.845 ( -0.000 0.000 -1.441) 1.441 ======================= Grid point 47 (29/171) ======================= q-point: ( 0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.531 ( -2.903 2.024 7.173) 7.998 0.609 ( -3.171 6.575 11.095) 13.281 0.686 ( -3.845 5.627 -4.487) 8.160 0.749 ( -3.585 4.625 -11.718) 13.098 1.036 ( -16.155 6.423 11.525) 20.858 1.124 ( -11.319 4.326 -9.539) 15.421 2.144 ( 0.228 -0.206 1.156) 1.196 2.168 ( -0.441 1.123 -1.597) 2.002 2.277 ( 0.202 1.096 3.464) 3.639 2.304 ( 0.445 1.414 -3.027) 3.370 2.536 ( -3.879 -2.048 3.130) 5.389 2.598 ( -6.256 1.271 -3.501) 7.281 2.619 ( -1.867 1.278 -0.067) 2.264 2.620 ( -2.019 1.197 -0.021) 2.347 2.877 ( 5.129 -7.433 -0.464) 9.043 2.981 ( 1.295 0.935 0.043) 1.597 3.073 ( 1.162 -1.169 0.912) 1.883 3.141 ( -0.023 2.374 -1.942) 3.067 3.489 ( 4.180 -3.462 1.747) 5.702 3.530 ( 2.459 -1.260 -1.242) 3.029 3.616 ( 9.207 -4.635 0.259) 10.311 3.665 ( 6.657 -0.266 0.763) 6.706 3.749 ( 2.594 -3.390 -0.116) 4.270 3.769 ( 2.319 -1.699 -0.853) 2.999 4.273 ( 5.266 -3.267 0.075) 6.198 4.283 ( 5.346 -2.784 -0.078) 6.028 4.317 ( 1.954 -1.313 0.099) 2.356 4.324 ( 2.152 -1.111 -0.124) 2.425 5.583 ( 6.565 -4.684 0.490) 8.079 5.599 ( 5.987 -3.488 -0.542) 6.950 7.271 ( -0.752 1.816 0.306) 1.990 7.275 ( -0.809 2.081 -0.302) 2.253 7.318 ( -3.467 0.749 0.423) 3.572 7.322 ( -3.478 0.773 -0.409) 3.586 7.855 ( -0.753 -0.267 -0.027) 0.799 7.863 ( -1.169 0.501 -0.093) 1.275 7.950 ( -0.290 0.229 1.474) 1.520 7.964 ( -0.331 0.447 -1.411) 1.517 8.453 ( -2.396 1.813 0.001) 3.005 8.471 ( -2.725 3.579 -0.086) 4.499 8.527 ( -4.876 1.044 0.377) 5.001 8.546 ( -5.305 2.754 -0.204) 5.981 8.833 ( -1.622 0.357 0.634) 1.777 8.838 ( -1.536 0.313 -0.743) 1.735 8.986 ( 4.957 -2.230 5.743) 7.907 9.027 ( 4.065 -1.764 -4.675) 6.441 9.199 ( -0.425 -0.866 0.781) 1.241 9.212 ( 0.057 -0.335 -0.782) 0.853 9.255 ( -2.263 1.712 0.349) 2.859 9.263 ( -2.208 2.145 -0.939) 3.219 9.930 ( -1.918 0.833 1.843) 2.787 9.945 ( -1.883 0.931 -1.829) 2.785 10.804 ( 2.139 -1.201 1.324) 2.788 10.815 ( 1.963 -1.072 -1.533) 2.711 ======================= Grid point 48 (30/171) ======================= q-point: ( 0.60 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.641 ( -7.187 2.669 -0.000) 7.667 0.657 ( -1.740 -0.421 -0.000) 1.790 0.842 ( -6.944 5.380 -0.000) 8.785 0.849 ( -7.840 7.470 -0.000) 10.829 1.493 ( -23.804 12.652 -0.000) 26.957 1.500 ( -22.487 12.234 -0.000) 25.599 2.132 ( 0.834 -0.642 0.000) 1.052 2.183 ( -0.090 1.332 -0.000) 1.335 2.282 ( 1.754 0.269 0.000) 1.774 2.296 ( 0.314 0.694 -0.000) 0.762 2.571 ( -2.699 -3.048 0.000) 4.071 2.679 ( -2.169 -0.877 -0.000) 2.340 2.692 ( -4.987 1.711 -0.000) 5.273 2.713 ( -5.302 2.230 -0.000) 5.752 2.740 ( 1.237 -3.382 0.000) 3.602 2.967 ( 2.411 2.908 -0.000) 3.778 3.013 ( 2.925 -3.889 0.000) 4.866 3.139 ( 2.321 0.307 0.000) 2.341 3.329 ( 14.734 -9.994 0.000) 17.804 3.335 ( 9.074 -7.611 0.000) 11.843 3.483 ( 4.021 0.413 0.000) 4.042 3.529 ( 7.870 -0.187 0.000) 7.872 3.670 ( 3.464 -2.977 0.000) 4.568 3.712 ( 2.342 -1.604 0.000) 2.839 4.108 ( 9.181 -6.058 0.000) 10.999 4.118 ( 9.198 -5.982 0.000) 10.972 4.239 ( 5.704 -2.753 0.000) 6.334 4.244 ( 5.668 -2.893 0.000) 6.364 5.387 ( 9.540 -6.700 0.000) 11.658 5.429 ( 9.043 -4.873 0.000) 10.273 7.310 ( -1.368 2.626 -0.000) 2.961 7.321 ( -1.547 3.134 -0.000) 3.495 7.405 ( -5.455 1.394 -0.000) 5.631 7.406 ( -5.220 1.482 -0.000) 5.426 7.866 ( -1.181 -0.893 0.000) 1.481 7.886 ( -1.154 -0.497 -0.000) 1.257 7.959 ( -0.171 0.974 -0.000) 0.989 7.977 ( -0.458 1.184 -0.000) 1.270 8.529 ( -4.101 2.509 -0.000) 4.807 8.555 ( -3.660 3.043 -0.000) 4.760 8.667 ( -8.200 4.037 -0.000) 9.140 8.698 ( -8.060 4.789 -0.000) 9.376 8.868 ( -2.120 0.003 -0.000) 2.120 8.877 ( -2.778 0.443 -0.000) 2.813 8.945 ( 1.586 -0.064 0.000) 1.588 8.950 ( 1.717 0.137 0.000) 1.722 9.197 ( 0.029 -0.621 0.000) 0.621 9.205 ( 0.381 -0.136 0.000) 0.405 9.292 ( -0.437 0.609 -0.000) 0.750 9.293 ( -0.795 0.556 -0.000) 0.970 9.986 ( -3.150 1.288 -0.000) 3.403 10.001 ( -3.641 2.090 -0.000) 4.198 10.747 ( 3.317 -2.000 0.000) 3.873 10.755 ( 3.147 -1.588 0.000) 3.525 ======================= Grid point 59 (31/171) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.508 ( -0.000 0.000 -5.700) 5.700 0.508 ( 0.000 -0.000 5.700) 5.700 0.630 ( -0.000 0.000 -6.810) 6.810 0.630 ( 0.000 -0.000 6.810) 6.810 0.970 ( -0.000 0.000 -19.827) 19.827 0.970 ( 0.000 -0.000 19.827) 19.827 2.151 ( -0.000 0.000 -1.806) 1.806 2.151 ( 0.000 -0.000 1.806) 1.806 2.285 ( -0.000 0.000 -3.212) 3.212 2.285 ( 0.000 -0.000 3.212) 3.212 2.518 ( -0.000 0.000 -4.047) 4.047 2.518 ( 0.000 -0.000 4.047) 4.047 2.599 ( -0.000 0.000 -0.000) 0.000 2.599 ( 0.000 -0.000 0.000) 0.000 2.988 ( -0.000 0.000 -0.244) 0.244 2.988 ( 0.000 -0.000 0.244) 0.244 3.093 ( -0.000 0.000 -5.563) 5.563 3.093 ( 0.000 -0.000 5.563) 5.563 3.550 ( -0.000 0.000 -2.966) 2.966 3.550 ( 0.000 -0.000 2.966) 2.966 3.721 ( -0.000 0.000 -0.233) 0.233 3.721 ( 0.000 -0.000 0.233) 0.233 3.798 ( -0.000 0.000 -1.102) 1.102 3.798 ( 0.000 -0.000 1.102) 1.102 4.333 ( -0.000 0.000 -0.161) 0.161 4.333 ( 0.000 -0.000 0.161) 0.161 4.345 ( -0.000 0.000 -0.285) 0.285 4.345 ( 0.000 -0.000 0.285) 0.285 5.665 ( -0.000 0.000 -1.142) 1.142 5.665 ( 0.000 -0.000 1.142) 1.142 7.257 ( -0.000 0.000 -0.500) 0.500 7.257 ( 0.000 -0.000 0.500) 0.500 7.286 ( -0.000 0.000 -0.406) 0.406 7.286 ( 0.000 -0.000 0.406) 0.406 7.849 ( -0.000 0.000 -0.123) 0.123 7.849 ( 0.000 -0.000 0.123) 0.123 7.953 ( -0.000 0.000 -1.721) 1.721 7.953 ( 0.000 -0.000 1.721) 1.721 8.424 ( -0.000 0.000 -0.369) 0.369 8.424 ( 0.000 -0.000 0.369) 0.369 8.487 ( -0.000 0.000 -0.647) 0.647 8.487 ( 0.000 -0.000 0.647) 0.647 8.820 ( -0.000 0.000 -0.842) 0.842 8.820 ( 0.000 -0.000 0.842) 0.842 9.091 ( -0.000 0.000 -1.351) 1.351 9.091 ( 0.000 -0.000 1.351) 1.351 9.195 ( -0.000 0.000 -1.534) 1.534 9.195 ( 0.000 -0.000 1.534) 1.534 9.213 ( -0.000 0.000 -0.557) 0.557 9.213 ( 0.000 -0.000 0.557) 0.557 9.917 ( -0.000 0.000 -1.967) 1.967 9.917 ( 0.000 -0.000 1.967) 1.967 10.834 ( -0.000 0.000 -1.306) 1.306 10.834 ( 0.000 -0.000 1.306) 1.306 ======================= Grid point 108 (32/171) ======================= q-point: ( 0.10 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.194 ( 0.000 11.990 -0.000) 11.990 0.319 ( 0.000 16.452 -0.000) 16.452 0.671 ( 0.000 35.439 -0.000) 35.439 0.927 ( 0.000 4.996 -0.000) 4.996 1.001 ( 0.000 19.581 -0.000) 19.581 1.288 ( -0.000 -8.080 0.000) 8.080 2.119 ( 0.000 0.908 -0.000) 0.908 2.205 ( 0.000 1.149 -0.000) 1.149 2.258 ( -0.000 -1.295 0.000) 1.295 2.316 ( 0.000 0.239 -0.000) 0.239 2.580 ( -0.000 -1.743 0.000) 1.743 2.618 ( 0.000 1.872 -0.000) 1.872 2.644 ( 0.000 2.759 -0.000) 2.759 2.747 ( -0.000 -5.395 0.000) 5.395 2.944 ( -0.000 -2.515 0.000) 2.515 2.958 ( -0.000 -3.145 0.000) 3.145 3.012 ( 0.000 2.561 -0.000) 2.561 3.055 ( 0.000 0.445 -0.000) 0.445 3.456 ( -0.000 -1.585 0.000) 1.585 3.520 ( -0.000 -1.747 0.000) 1.747 3.586 ( -0.000 -8.688 0.000) 8.688 3.602 ( -0.000 -9.231 0.000) 9.231 3.786 ( -0.000 -2.520 0.000) 2.520 3.837 ( -0.000 -2.648 0.000) 2.648 4.274 ( -0.000 -6.122 0.000) 6.122 4.295 ( -0.000 -6.140 0.000) 6.140 4.310 ( -0.000 -2.046 0.000) 2.046 4.324 ( -0.000 -2.197 0.000) 2.197 5.557 ( -0.000 -8.532 0.000) 8.532 5.616 ( -0.000 -8.285 0.000) 8.285 7.281 ( 0.000 3.767 -0.000) 3.767 7.289 ( 0.000 1.326 -0.000) 1.326 7.309 ( 0.000 1.247 -0.000) 1.247 7.311 ( 0.000 4.226 -0.000) 4.226 7.851 ( 0.000 0.004 -0.000) 0.004 7.870 ( 0.000 0.473 -0.000) 0.473 7.907 ( 0.000 0.820 -0.000) 0.820 8.003 ( 0.000 0.730 -0.000) 0.730 8.457 ( 0.000 3.207 -0.000) 3.207 8.487 ( 0.000 6.992 -0.000) 6.992 8.511 ( 0.000 6.352 -0.000) 6.352 8.526 ( 0.000 2.615 -0.000) 2.615 8.745 ( 0.000 1.385 -0.000) 1.385 8.814 ( 0.000 0.884 -0.000) 0.884 8.856 ( 0.000 0.838 -0.000) 0.838 9.120 ( -0.000 -0.924 0.000) 0.924 9.158 ( 0.000 0.205 -0.000) 0.205 9.241 ( 0.000 0.641 -0.000) 0.641 9.253 ( -0.000 -0.301 0.000) 0.301 9.335 ( -0.000 -0.116 0.000) 0.116 9.883 ( 0.000 1.653 -0.000) 1.653 9.986 ( 0.000 1.908 -0.000) 1.908 10.781 ( -0.000 -2.872 0.000) 2.872 10.860 ( -0.000 -1.664 0.000) 1.664 ======================= Grid point 109 (33/171) ======================= q-point: ( 0.20 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.393 ( -8.225 13.222 1.818) 15.677 0.497 ( -3.936 15.126 2.556) 15.837 0.991 ( -1.584 8.322 -1.308) 8.572 1.105 ( 1.703 2.227 -1.890) 3.381 1.201 ( -13.183 19.705 -0.241) 23.710 1.327 ( -13.001 19.333 1.456) 23.343 2.118 ( 0.903 0.403 0.254) 1.021 2.217 ( 0.351 1.317 0.540) 1.466 2.250 ( -0.925 -1.693 -0.767) 2.076 2.344 ( -1.513 1.079 0.880) 2.057 2.515 ( 5.345 0.992 -0.847) 5.502 2.634 ( -0.472 -1.933 -0.683) 2.104 2.647 ( -1.814 1.620 0.461) 2.476 2.698 ( 0.027 -0.347 0.320) 0.473 2.915 ( -0.272 -3.636 -5.039) 6.219 2.961 ( -2.600 -3.119 -4.657) 6.178 3.039 ( 1.723 0.251 7.410) 7.612 3.082 ( -1.683 -0.207 1.217) 2.087 3.376 ( 6.495 -6.274 -0.076) 9.031 3.392 ( 8.777 -10.206 0.318) 13.465 3.498 ( 0.539 -9.126 0.311) 9.148 3.522 ( 0.065 -4.680 0.552) 4.712 3.732 ( 2.860 -2.637 -0.693) 3.951 3.782 ( 2.898 -2.552 -0.496) 3.893 4.145 ( 6.061 -9.825 0.044) 11.544 4.165 ( 6.072 -9.770 -0.054) 11.504 4.284 ( 1.206 -2.254 -0.014) 2.556 4.292 ( 1.634 -2.833 -0.064) 3.272 5.421 ( 4.870 -10.758 0.085) 11.809 5.478 ( 5.286 -10.372 -0.115) 11.641 7.319 ( -1.147 3.176 0.056) 3.377 7.341 ( -2.271 3.119 0.013) 3.858 7.341 ( -1.935 2.860 0.028) 3.453 7.368 ( -1.879 4.588 -0.026) 4.957 7.850 ( -0.024 -0.473 0.021) 0.474 7.878 ( -0.361 0.140 -0.116) 0.404 7.929 ( -1.255 1.318 0.283) 1.842 8.010 ( -0.025 0.856 -0.267) 0.897 8.512 ( -2.115 4.521 0.260) 4.998 8.558 ( -0.875 5.033 -0.118) 5.110 8.602 ( -4.269 8.317 0.149) 9.350 8.634 ( -5.518 6.508 0.011) 8.533 8.774 ( -1.222 1.864 1.463) 2.666 8.838 ( -1.610 1.046 0.038) 1.920 8.873 ( -0.863 1.133 -0.027) 1.425 9.100 ( 1.061 -0.877 -0.792) 1.588 9.166 ( -0.628 -0.219 0.123) 0.677 9.234 ( 0.848 0.003 -0.117) 0.856 9.260 ( -0.574 0.110 0.132) 0.599 9.329 ( 0.410 -0.122 -0.270) 0.506 9.920 ( -2.066 2.503 0.318) 3.261 10.019 ( -1.407 2.839 -0.285) 3.181 10.731 ( 2.180 -3.683 0.207) 4.285 10.827 ( 1.453 -2.499 -0.440) 2.924 ======================= Grid point 110 (34/171) ======================= q-point: ( 0.30 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.703 ( -12.333 13.493 -2.138) 18.404 0.745 ( -8.506 13.481 2.836) 16.191 0.968 ( 2.188 -0.644 -0.700) 2.386 1.112 ( -2.714 9.763 -1.379) 10.227 1.767 ( -19.841 19.048 0.382) 27.507 1.770 ( -20.572 19.649 0.718) 28.457 2.106 ( 0.977 0.254 0.547) 1.148 2.216 ( 0.878 0.327 0.333) 0.995 2.247 ( -0.350 -1.230 -0.060) 1.280 2.357 ( 3.353 3.093 -0.476) 4.586 2.455 ( 0.367 -2.258 0.409) 2.324 2.578 ( 1.093 -5.367 1.143) 5.595 2.725 ( -5.035 -1.106 -0.952) 5.242 2.743 ( -2.904 0.899 1.379) 3.338 2.880 ( -0.417 0.955 -5.146) 5.250 2.948 ( 0.211 -1.589 -0.525) 1.686 3.009 ( 5.078 -1.782 2.995) 6.159 3.066 ( 7.141 -7.787 -0.685) 10.588 3.128 ( 4.570 -2.475 0.049) 5.197 3.150 ( 9.086 -10.249 1.278) 13.756 3.419 ( 1.604 -5.239 0.419) 5.495 3.474 ( 1.511 -3.451 1.265) 3.974 3.650 ( 3.600 -2.164 -1.589) 4.491 3.707 ( 3.196 -1.780 -0.396) 3.680 3.906 ( 8.779 -14.112 0.133) 16.621 3.928 ( 8.709 -13.743 -0.120) 16.270 4.201 ( 7.214 -1.898 -0.014) 7.459 4.212 ( 6.165 -0.979 -0.137) 6.244 5.221 ( 5.832 -11.222 -0.192) 12.648 5.276 ( 6.448 -10.489 0.189) 12.314 7.373 ( -1.187 3.631 0.009) 3.820 7.392 ( -1.005 3.688 -0.073) 3.823 7.436 ( -4.785 3.192 0.190) 5.755 7.458 ( -4.135 3.660 -0.052) 5.522 7.843 ( -0.061 -1.227 0.134) 1.236 7.875 ( 0.242 -1.093 -0.168) 1.132 7.969 ( -1.567 1.641 0.298) 2.289 8.020 ( -0.184 1.303 -0.346) 1.361 8.604 ( -3.059 5.187 0.107) 6.022 8.632 ( -1.975 5.300 -0.084) 5.656 8.752 ( -4.184 5.970 0.832) 7.338 8.793 ( -5.836 4.818 0.121) 7.569 8.840 ( -3.844 3.398 0.809) 5.194 8.889 ( -3.431 2.087 -0.126) 4.018 8.903 ( -1.281 1.255 0.146) 1.799 9.069 ( 1.278 -0.352 -1.613) 2.087 9.172 ( -0.341 -0.339 0.195) 0.519 9.218 ( 0.918 -0.186 -0.226) 0.964 9.265 ( 0.097 -0.324 0.572) 0.664 9.317 ( 0.576 -0.627 -0.219) 0.879 9.998 ( -3.743 3.269 0.510) 4.996 10.083 ( -2.672 3.674 -0.425) 4.563 10.650 ( 3.360 -3.815 0.625) 5.122 10.762 ( 2.772 -3.246 -0.813) 4.345 ======================= Grid point 111 (35/171) ======================= q-point: ( 0.40 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( -6.280 12.780 0.211) 14.241 1.015 ( -12.926 9.376 -4.822) 16.680 1.186 ( -16.048 12.326 4.611) 20.754 1.240 ( -1.999 9.964 -0.936) 10.206 2.092 ( 0.872 0.702 0.274) 1.153 2.180 ( -5.375 5.446 0.744) 7.688 2.200 ( 0.451 0.130 -0.224) 0.520 2.252 ( -11.237 6.611 -2.438) 13.264 2.277 ( -10.427 6.023 -0.191) 12.043 2.296 ( 2.218 0.860 -0.390) 2.411 2.492 ( -8.283 2.515 1.622) 8.807 2.526 ( 1.630 -5.665 1.000) 5.979 2.626 ( 12.422 -10.998 2.024) 16.714 2.698 ( 5.995 -6.693 1.523) 9.114 2.797 ( 4.167 -7.563 -1.638) 8.789 2.853 ( -2.519 -5.872 0.062) 6.390 2.959 ( -0.107 4.207 -2.713) 5.007 3.032 ( -3.063 3.734 0.901) 4.913 3.069 ( -2.537 7.315 1.466) 7.880 3.130 ( -0.391 3.110 -0.692) 3.210 3.347 ( 1.780 -4.193 0.019) 4.555 3.423 ( 1.561 -2.685 1.911) 3.647 3.546 ( 6.495 -5.984 -3.079) 9.353 3.610 ( 8.928 -16.055 0.467) 18.376 3.626 ( 4.571 -9.028 0.959) 10.164 3.675 ( 4.112 -4.127 -0.897) 5.894 4.009 ( 15.201 0.332 0.332) 15.209 4.048 ( 13.608 0.929 -0.425) 13.646 5.047 ( 1.974 -10.687 -0.518) 10.881 5.096 ( 3.250 -9.978 0.452) 10.504 7.420 ( -0.485 3.071 -0.071) 3.110 7.437 ( -0.279 3.260 -0.033) 3.272 7.551 ( -5.179 3.003 0.150) 5.989 7.560 ( -4.227 2.745 0.031) 5.041 7.832 ( -0.360 -1.766 0.106) 1.806 7.848 ( 0.844 -2.112 -0.156) 2.280 8.006 ( -0.794 1.409 0.261) 1.638 8.034 ( 0.024 1.403 -0.312) 1.437 8.698 ( -2.146 4.994 -0.179) 5.439 8.712 ( -1.485 4.984 0.143) 5.202 8.838 ( -1.822 2.296 1.153) 3.149 8.878 ( -2.243 0.433 0.319) 2.307 8.927 ( -1.396 1.006 0.274) 1.743 8.977 ( -5.585 4.561 -0.218) 7.214 8.999 ( -3.676 3.290 -0.291) 4.942 9.053 ( -1.584 1.086 -1.498) 2.436 9.173 ( -0.114 -0.442 0.120) 0.472 9.201 ( 0.873 -0.060 -0.120) 0.884 9.251 ( 1.192 -1.207 0.744) 1.852 9.292 ( 1.271 -1.409 -0.229) 1.911 10.103 ( -4.540 3.660 0.282) 5.839 10.169 ( -3.260 4.142 -0.267) 5.278 10.560 ( 3.517 -3.579 1.038) 5.124 10.671 ( 3.642 -3.721 -1.089) 5.320 ======================= Grid point 112 (36/171) ======================= q-point: ( 0.50 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( -3.961 10.493 -0.098) 11.216 1.297 ( 1.357 9.936 -0.934) 10.072 1.361 ( -12.595 9.943 -1.000) 16.078 1.596 ( -14.864 9.794 2.057) 17.919 2.063 ( 6.267 -4.135 -1.917) 7.749 2.101 ( 6.402 -1.434 -0.419) 6.574 2.159 ( 3.071 -3.563 -0.612) 4.743 2.213 ( 1.734 -0.394 1.996) 2.674 2.266 ( 6.436 -1.494 -0.170) 6.610 2.322 ( 5.783 -3.817 0.140) 6.930 2.437 ( -0.218 -1.690 0.299) 1.730 2.503 ( 0.933 -0.097 -1.741) 1.978 2.702 ( -4.039 -0.862 1.383) 4.356 2.774 ( -15.158 1.355 0.199) 15.220 2.803 ( -5.271 -2.079 1.513) 5.864 2.896 ( -15.563 -4.836 -1.596) 16.375 2.962 ( -2.186 -1.598 0.981) 2.880 3.087 ( -0.160 0.019 0.703) 0.722 3.191 ( 1.609 -3.720 -3.367) 5.269 3.253 ( 1.481 -3.484 0.712) 3.852 3.271 ( 2.022 -2.445 0.253) 3.183 3.294 ( 0.095 -0.087 0.350) 0.373 3.358 ( 1.251 -6.458 -0.430) 6.592 3.404 ( -0.453 -0.212 1.749) 1.819 3.543 ( 2.923 4.327 -1.229) 5.364 3.647 ( 1.897 1.149 -0.660) 2.314 3.736 ( 18.007 5.712 0.885) 18.912 3.803 ( 16.062 2.817 -0.936) 16.334 4.960 ( -3.183 -9.335 -0.631) 9.883 4.994 ( -1.546 -8.976 0.422) 9.118 7.442 ( 0.689 1.821 0.032) 1.948 7.457 ( 0.801 1.794 -0.122) 1.969 7.628 ( -1.369 1.582 0.111) 2.095 7.655 ( -3.327 2.007 0.127) 3.887 7.806 ( 0.437 -1.921 -0.329) 1.997 7.839 ( -1.605 -1.209 0.234) 2.024 8.019 ( 0.447 0.662 0.096) 0.804 8.039 ( 0.676 0.778 -0.227) 1.055 8.756 ( 0.289 3.924 -0.314) 3.947 8.767 ( 0.424 4.030 0.275) 4.061 8.874 ( -0.604 0.326 -0.014) 0.687 8.908 ( -1.299 -0.067 0.747) 1.499 8.953 ( -0.620 0.966 0.479) 1.244 9.006 ( 1.207 0.680 -1.324) 1.917 9.099 ( -4.333 2.603 -0.384) 5.069 9.149 ( -4.618 1.902 0.014) 4.995 9.171 ( -0.278 -0.453 -0.041) 0.534 9.188 ( 0.875 -0.037 0.221) 0.903 9.210 ( 1.903 -1.706 0.316) 2.575 9.244 ( 2.333 -1.950 -0.190) 3.047 10.203 ( -3.155 3.002 -0.376) 4.371 10.246 ( -0.802 3.030 0.173) 3.139 10.490 ( 1.208 -2.434 0.775) 2.826 10.578 ( 2.432 -3.117 -0.883) 4.051 ======================= Grid point 113 (37/171) ======================= q-point: (-0.40 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( 10.455 5.904 -0.454) 12.015 1.254 ( 5.533 6.252 0.024) 8.349 1.418 ( 13.764 -3.124 -2.451) 14.326 1.641 ( 14.673 -4.626 1.954) 15.508 2.035 ( -10.208 3.704 0.225) 10.862 2.098 ( -1.269 3.321 0.363) 3.574 2.166 ( -4.620 1.540 -1.631) 5.135 2.207 ( -0.501 0.259 2.668) 2.727 2.241 ( -2.535 1.897 0.335) 3.184 2.319 ( -9.931 4.293 -0.486) 10.830 2.465 ( -3.649 1.367 -0.800) 3.978 2.507 ( 0.320 1.627 -2.024) 2.617 2.691 ( 3.811 -7.225 -1.131) 8.247 2.775 ( 5.241 -7.298 0.477) 8.998 2.807 ( 2.673 -7.311 1.350) 7.900 2.879 ( 4.950 -16.691 0.258) 17.412 2.963 ( -0.562 -2.822 -3.786) 4.755 3.076 ( -2.744 -1.240 -3.729) 4.793 3.192 ( -4.563 0.403 3.333) 5.665 3.255 ( 4.003 0.570 0.171) 4.047 3.307 ( -13.752 -0.741 1.541) 13.858 3.331 ( -4.363 -1.674 -0.141) 4.676 3.340 ( 4.052 -0.969 0.547) 4.202 3.388 ( 0.054 -0.828 1.466) 1.685 3.533 ( 1.027 5.726 -0.237) 5.823 3.628 ( 1.729 -1.218 -1.808) 2.782 3.720 ( -4.858 19.976 -1.286) 20.598 3.801 ( -4.604 14.740 0.369) 15.447 4.966 ( -6.962 -6.872 -0.492) 9.794 4.984 ( -6.201 -6.702 0.151) 9.132 7.430 ( 2.039 0.291 0.192) 2.069 7.441 ( 2.054 0.063 -0.238) 2.069 7.631 ( 1.830 -0.059 0.481) 1.893 7.664 ( 2.488 -0.934 -0.501) 2.704 7.825 ( -2.818 1.114 0.449) 3.064 7.867 ( -1.949 0.374 -0.351) 2.015 8.006 ( 1.228 -0.401 -0.045) 1.293 8.023 ( 1.373 -0.347 -0.128) 1.422 8.757 ( 3.056 2.410 -0.113) 3.894 8.768 ( 3.281 2.434 0.106) 4.086 8.865 ( 0.839 -0.934 -1.212) 1.745 8.927 ( -0.446 0.098 1.024) 1.121 8.967 ( 0.154 0.509 0.439) 0.690 8.984 ( 1.475 0.396 -0.694) 1.678 9.100 ( 4.619 -2.574 0.117) 5.289 9.144 ( 3.763 -3.227 0.158) 4.960 9.174 ( -0.655 -0.060 -0.057) 0.660 9.180 ( -0.474 0.050 0.318) 0.573 9.212 ( -2.008 0.786 -1.050) 2.399 9.248 ( -2.815 1.319 0.249) 3.119 10.221 ( 4.097 0.083 0.105) 4.100 10.232 ( 2.691 -0.092 -0.365) 2.717 10.490 ( -2.793 -0.261 -1.435) 3.151 10.572 ( -3.599 0.313 0.996) 3.748 ======================= Grid point 114 (38/171) ======================= q-point: (-0.30 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( 17.111 -0.163 -2.939) 17.363 1.123 ( 15.370 1.329 2.050) 15.563 1.188 ( 10.895 -0.169 -1.012) 10.943 1.286 ( 18.968 -3.591 1.920) 19.400 2.109 ( -0.229 2.623 -0.116) 2.636 2.153 ( -1.953 0.300 -0.373) 2.011 2.183 ( 9.150 -3.879 0.983) 9.987 2.196 ( 3.549 -2.155 0.768) 4.222 2.300 ( 11.100 -6.657 0.359) 12.948 2.357 ( 14.980 -7.824 -0.429) 16.906 2.508 ( -2.345 2.057 -1.283) 3.373 2.550 ( -12.282 4.001 -1.510) 13.005 2.625 ( -10.571 1.361 -4.543) 11.586 2.695 ( -14.275 4.026 0.055) 14.832 2.809 ( -5.606 -1.231 1.800) 6.015 2.839 ( -1.971 -3.182 0.383) 3.762 2.956 ( 0.015 0.710 -1.610) 1.760 3.039 ( 7.000 -2.071 0.173) 7.302 3.081 ( 4.654 1.212 -1.585) 5.064 3.097 ( 6.108 0.983 -0.454) 6.203 3.355 ( -3.915 -0.445 3.131) 5.033 3.424 ( -3.180 0.370 1.576) 3.568 3.501 ( -7.421 1.310 0.877) 7.587 3.588 ( -6.375 -2.064 -0.553) 6.724 3.655 ( -14.398 0.110 -1.583) 14.485 3.664 ( -15.024 0.142 -1.194) 15.072 3.996 ( -7.391 13.692 -0.525) 15.569 4.036 ( -5.980 12.260 0.468) 13.648 5.060 ( -10.188 -2.487 0.153) 10.488 5.076 ( -10.552 -2.941 -0.570) 10.969 7.386 ( 2.837 -0.877 0.184) 2.975 7.393 ( 2.865 -1.140 -0.214) 3.091 7.576 ( 4.377 -0.807 0.272) 4.459 7.589 ( 4.644 -1.117 -0.232) 4.782 7.884 ( -1.454 1.989 0.299) 2.482 7.899 ( -1.007 1.752 -0.360) 2.052 7.975 ( 1.199 -1.593 -0.203) 2.004 7.990 ( 1.242 -1.535 0.101) 1.977 8.703 ( 5.348 0.971 0.184) 5.438 8.710 ( 5.309 0.817 -0.155) 5.373 8.822 ( 2.326 -1.380 -1.951) 3.335 8.918 ( 2.636 -0.332 0.253) 2.669 8.951 ( 2.113 0.013 0.099) 2.116 8.961 ( 3.170 -1.797 0.478) 3.675 8.978 ( 4.795 -2.263 -0.561) 5.331 9.043 ( 3.750 -2.068 1.433) 4.516 9.185 ( -0.091 0.229 0.019) 0.247 9.189 ( -0.955 0.199 0.076) 0.978 9.247 ( -1.758 0.203 -1.231) 2.156 9.295 ( -1.611 0.535 0.379) 1.740 10.126 ( 5.949 -0.997 -0.306) 6.040 10.156 ( 4.675 -1.391 -0.034) 4.878 10.557 ( -5.023 0.988 -1.687) 5.390 10.664 ( -5.023 1.234 1.347) 5.345 ======================= Grid point 115 (39/171) ======================= q-point: (-0.20 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.755 ( 12.740 0.592 -2.331) 12.965 0.807 ( 21.701 -2.372 0.404) 21.834 1.005 ( 4.933 0.724 1.997) 5.371 1.074 ( 10.536 0.011 2.900) 10.928 1.761 ( 30.225 -8.337 -1.864) 31.409 1.787 ( 23.284 -6.240 -1.069) 24.129 2.131 ( 0.430 1.768 0.296) 1.844 2.188 ( -1.450 0.367 -1.190) 1.911 2.215 ( -0.843 -2.119 1.123) 2.542 2.300 ( -0.808 0.105 -1.007) 1.295 2.560 ( 0.640 3.674 -0.937) 3.846 2.631 ( -4.612 0.547 -3.067) 5.566 2.734 ( 2.284 -4.030 0.895) 4.718 2.775 ( 5.273 -0.935 -0.318) 5.365 2.873 ( -1.369 1.131 2.776) 3.295 2.946 ( 0.295 -0.647 2.887) 2.973 3.006 ( -11.036 4.362 -1.343) 11.942 3.065 ( -0.547 -0.445 -1.384) 1.553 3.105 ( -12.888 4.311 -0.735) 13.610 3.137 ( -11.910 1.050 -1.879) 12.103 3.453 ( -6.155 0.498 3.115) 6.916 3.503 ( -4.063 1.987 2.686) 5.260 3.594 ( -4.633 0.958 -1.401) 4.935 3.630 ( -4.580 -2.233 -1.931) 5.450 3.922 ( -15.620 0.565 -0.400) 15.635 3.943 ( -15.714 0.575 0.064) 15.725 4.191 ( -5.480 5.294 -0.005) 7.619 4.201 ( -4.222 4.703 0.164) 6.322 5.245 ( -12.020 1.190 0.027) 12.079 5.260 ( -13.106 0.231 -0.364) 13.113 7.330 ( 2.816 -0.939 0.086) 2.969 7.333 ( 2.672 -1.292 -0.121) 2.970 7.482 ( 5.879 -0.618 -0.133) 5.913 7.495 ( 5.658 -0.603 0.109) 5.691 7.898 ( 1.399 1.807 -0.216) 2.295 7.921 ( 1.399 1.435 0.167) 2.011 7.940 ( 0.590 -1.796 -0.281) 1.911 7.972 ( -1.183 -1.455 0.272) 1.895 8.610 ( 6.300 0.094 0.123) 6.302 8.618 ( 5.766 -0.321 -0.017) 5.775 8.733 ( 6.249 -1.939 -1.756) 6.775 8.811 ( 8.127 -2.031 0.291) 8.382 8.842 ( 4.617 -1.353 -1.332) 4.992 8.911 ( 2.975 -0.251 -0.123) 2.988 8.921 ( 2.351 -0.095 -0.080) 2.354 9.036 ( -1.468 -0.115 2.395) 2.811 9.187 ( 0.011 0.210 -0.209) 0.297 9.207 ( -0.909 0.164 0.192) 0.943 9.263 ( -0.644 -0.115 -0.940) 1.145 9.316 ( -0.505 0.091 0.449) 0.682 10.020 ( 5.343 -0.718 -0.620) 5.427 10.072 ( 4.065 -0.881 0.350) 4.174 10.646 ( -5.187 0.833 -1.087) 5.364 10.756 ( -4.223 0.746 1.155) 4.441 ======================= Grid point 116 (40/171) ======================= q-point: (-0.10 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.450 ( 18.711 -0.000 -1.480) 18.770 0.527 ( 14.604 -0.000 -2.765) 14.864 0.926 ( 8.355 -0.000 2.740) 8.793 1.075 ( -7.975 -0.000 6.638) 10.376 1.172 ( 33.563 -0.000 -4.278) 33.834 1.370 ( 21.659 -0.000 -2.491) 21.802 2.130 ( 0.771 -0.000 0.068) 0.774 2.197 ( -0.374 0.000 -1.375) 1.425 2.229 ( -1.123 -0.000 2.258) 2.522 2.301 ( 0.167 0.000 -1.786) 1.794 2.535 ( 3.696 -0.000 -0.685) 3.759 2.656 ( 3.195 -0.000 0.254) 3.205 2.674 ( 4.947 -0.000 -0.059) 4.947 2.712 ( -4.397 0.000 -0.907) 4.490 2.929 ( -2.587 -0.000 2.011) 3.277 2.965 ( -0.568 -0.000 3.940) 3.981 3.054 ( 0.021 0.000 -1.416) 1.416 3.123 ( -4.733 0.000 -0.465) 4.756 3.326 ( -9.389 0.000 -1.086) 9.452 3.375 ( -12.648 0.000 -1.459) 12.732 3.569 ( -5.740 0.000 0.930) 5.815 3.603 ( -4.552 -0.000 3.387) 5.674 3.669 ( -4.951 0.000 -2.055) 5.360 3.709 ( -7.118 0.000 -0.201) 7.121 4.147 ( -11.046 0.000 -0.170) 11.048 4.167 ( -10.794 0.000 0.087) 10.795 4.279 ( -3.003 0.000 -0.008) 3.003 4.288 ( -3.772 0.000 0.119) 3.774 5.444 ( -10.630 0.000 -0.256) 10.633 5.477 ( -11.890 0.000 0.127) 11.890 7.281 ( 2.217 -0.000 -0.074) 2.218 7.291 ( 1.568 -0.000 0.055) 1.569 7.382 ( 5.538 -0.000 -0.135) 5.540 7.399 ( 5.417 -0.000 0.021) 5.417 7.878 ( 1.627 -0.000 -0.041) 1.628 7.895 ( 1.778 -0.000 0.415) 1.825 7.922 ( 0.678 0.000 -0.700) 0.975 7.987 ( -0.775 -0.000 0.380) 0.863 8.512 ( 5.277 -0.000 -0.029) 5.277 8.527 ( 4.746 -0.000 0.296) 4.756 8.591 ( 7.919 -0.000 -1.300) 8.025 8.660 ( 8.355 -0.000 0.218) 8.358 8.780 ( 1.826 0.000 -2.619) 3.193 8.861 ( 2.692 -0.000 -0.119) 2.694 8.884 ( 2.040 -0.000 0.190) 2.049 9.077 ( -2.263 -0.000 1.644) 2.797 9.187 ( 0.062 0.000 -0.257) 0.264 9.222 ( -0.648 -0.000 0.193) 0.676 9.263 ( 0.135 0.000 -0.345) 0.370 9.321 ( 0.146 -0.000 0.709) 0.723 9.937 ( 3.932 -0.000 -0.541) 3.969 10.013 ( 2.812 -0.000 0.382) 2.838 10.728 ( -4.435 0.000 -0.462) 4.459 10.823 ( -2.936 -0.000 0.852) 3.057 ======================= Grid point 117 (41/171) ======================= q-point: ( 0.00 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.445 ( 19.262 -0.000 0.000) 19.262 0.515 ( 15.005 -0.000 0.000) 15.005 0.938 ( 8.093 -0.000 0.000) 8.093 1.103 ( -10.079 0.000 -0.000) 10.079 1.154 ( 34.522 -0.000 0.000) 34.522 1.358 ( 23.144 -0.000 0.000) 23.144 2.130 ( 0.881 -0.000 0.000) 0.881 2.191 ( -0.444 0.000 -0.000) 0.444 2.240 ( -1.527 0.000 -0.000) 1.527 2.292 ( 0.573 -0.000 0.000) 0.573 2.532 ( 3.662 -0.000 0.000) 3.662 2.657 ( 3.454 -0.000 0.000) 3.454 2.674 ( 4.897 -0.000 0.000) 4.897 2.708 ( -5.253 0.000 -0.000) 5.253 2.938 ( -2.253 0.000 -0.000) 2.253 2.982 ( -0.876 0.000 -0.000) 0.876 3.048 ( -0.342 0.000 -0.000) 0.342 3.121 ( -4.371 0.000 -0.000) 4.371 3.322 ( -9.353 0.000 -0.000) 9.353 3.369 ( -12.639 0.000 -0.000) 12.639 3.573 ( -5.225 0.000 -0.000) 5.225 3.619 ( -3.906 0.000 -0.000) 3.906 3.659 ( -5.665 0.000 -0.000) 5.665 3.709 ( -7.547 0.000 -0.000) 7.547 4.147 ( -11.067 0.000 -0.000) 11.067 4.167 ( -10.796 0.000 -0.000) 10.796 4.279 ( -2.976 0.000 -0.000) 2.976 4.288 ( -3.784 0.000 -0.000) 3.784 5.443 ( -10.622 0.000 -0.000) 10.622 5.477 ( -11.937 0.000 -0.000) 11.937 7.281 ( 2.231 -0.000 0.000) 2.231 7.291 ( 1.550 -0.000 0.000) 1.550 7.381 ( 5.544 -0.000 0.000) 5.544 7.399 ( 5.435 -0.000 0.000) 5.435 7.878 ( 1.607 -0.000 0.000) 1.607 7.897 ( 1.757 -0.000 0.000) 1.757 7.919 ( 0.731 -0.000 0.000) 0.731 7.989 ( -0.808 0.000 -0.000) 0.808 8.512 ( 5.284 -0.000 0.000) 5.284 8.528 ( 4.668 -0.000 0.000) 4.668 8.585 ( 8.033 -0.000 0.000) 8.033 8.661 ( 8.361 -0.000 0.000) 8.361 8.769 ( 2.411 -0.000 0.000) 2.411 8.861 ( 2.695 -0.000 0.000) 2.695 8.885 ( 1.992 -0.000 0.000) 1.992 9.084 ( -2.178 0.000 -0.000) 2.178 9.186 ( 0.081 -0.000 0.000) 0.081 9.223 ( -0.661 0.000 -0.000) 0.661 9.261 ( 0.009 -0.000 0.000) 0.009 9.324 ( -0.031 0.000 -0.000) 0.031 9.935 ( 3.952 -0.000 0.000) 3.952 10.014 ( 2.783 -0.000 0.000) 2.783 10.726 ( -4.499 0.000 -0.000) 4.499 10.826 ( -2.949 0.000 -0.000) 2.949 ======================= Grid point 119 (42/171) ======================= q-point: ( 0.20 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.251 ( 0.000 8.910 12.582) 15.418 0.343 ( 0.000 15.242 5.908) 16.346 0.689 ( 0.000 34.045 4.427) 34.332 0.916 ( 0.000 5.224 -2.545) 5.811 0.987 ( 0.000 18.991 -3.262) 19.269 1.279 ( -0.000 -7.080 -2.343) 7.457 2.121 ( 0.000 0.887 0.494) 1.015 2.211 ( 0.000 1.213 1.309) 1.785 2.245 ( -0.000 -0.812 -2.723) 2.841 2.329 ( 0.000 0.060 2.691) 2.692 2.577 ( -0.000 -1.806 -0.570) 1.893 2.618 ( 0.000 1.843 -0.083) 1.845 2.641 ( 0.000 2.826 -0.533) 2.875 2.677 ( -0.000 3.372 -13.983) 14.384 2.895 ( -0.000 -4.908 -3.640) 6.111 2.952 ( -0.000 -3.520 -1.546) 3.844 3.058 ( 0.000 0.805 0.865) 1.182 3.118 ( 0.000 -3.546 14.588) 15.013 3.458 ( -0.000 -1.887 0.506) 1.954 3.519 ( -0.000 -2.100 0.044) 2.100 3.591 ( -0.000 -8.399 1.442) 8.522 3.602 ( -0.000 -8.965 0.323) 8.971 3.782 ( -0.000 -2.650 -1.133) 2.882 3.832 ( -0.000 -2.696 -1.199) 2.951 4.275 ( -0.000 -6.114 0.116) 6.115 4.295 ( -0.000 -6.098 -0.150) 6.100 4.310 ( -0.000 -2.109 0.075) 2.110 4.323 ( -0.000 -2.220 -0.129) 2.224 5.558 ( -0.000 -8.502 0.264) 8.506 5.614 ( -0.000 -8.280 -0.429) 8.292 7.282 ( 0.000 3.783 0.200) 3.788 7.289 ( 0.000 1.327 0.126) 1.333 7.308 ( 0.000 1.252 -0.116) 1.257 7.310 ( 0.000 4.208 -0.074) 4.208 7.851 ( 0.000 0.027 0.008) 0.028 7.868 ( -0.000 0.510 -0.427) 0.665 7.911 ( 0.000 0.766 0.820) 1.122 8.000 ( -0.000 0.720 -0.581) 0.925 8.463 ( 0.000 2.770 1.281) 3.052 8.487 ( 0.000 6.917 -0.075) 6.917 8.511 ( 0.000 6.312 -0.100) 6.313 8.526 ( 0.000 2.678 -0.071) 2.679 8.775 ( 0.000 -1.182 6.720) 6.823 8.815 ( 0.000 0.886 0.107) 0.893 8.856 ( 0.000 0.876 -0.086) 0.880 9.116 ( -0.000 -1.083 -1.094) 1.540 9.159 ( 0.000 0.167 0.336) 0.376 9.242 ( 0.000 0.804 0.312) 0.863 9.249 ( -0.000 -0.284 -0.831) 0.878 9.328 ( -0.000 0.676 -1.648) 1.781 9.885 ( 0.000 1.668 0.621) 1.780 9.983 ( 0.000 1.910 -0.638) 2.014 10.782 ( -0.000 -2.840 0.267) 2.853 10.856 ( -0.000 -1.669 -0.840) 1.868 ======================= Grid point 120 (43/171) ======================= q-point: ( 0.30 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.423 ( -5.024 12.129 5.775) 14.342 0.534 ( -4.232 13.812 6.367) 15.787 0.970 ( -1.727 8.131 -3.769) 9.127 1.072 ( 3.917 -0.904 -6.461) 7.609 1.206 ( -16.829 25.268 2.012) 30.426 1.344 ( -11.922 17.114 2.210) 20.974 2.122 ( 0.905 0.465 0.714) 1.243 2.223 ( 0.329 0.608 0.558) 0.889 2.242 ( -0.900 -0.218 -0.657) 1.135 2.355 ( -0.894 0.726 1.831) 2.163 2.503 ( 4.541 0.868 -2.049) 5.057 2.627 ( -1.794 -1.634 -1.043) 2.641 2.651 ( -1.465 1.540 0.473) 2.177 2.702 ( -0.521 0.379 0.588) 0.872 2.852 ( -1.206 -2.646 -8.814) 9.282 2.937 ( -2.628 -3.725 -2.264) 5.090 3.076 ( -0.291 0.840 1.877) 2.077 3.115 ( 2.845 -1.623 6.068) 6.895 3.376 ( 5.908 -7.315 0.040) 9.403 3.395 ( 8.546 -10.309 0.374) 13.396 3.503 ( 0.991 -8.036 1.039) 8.163 3.532 ( 0.487 -4.453 2.098) 4.946 3.721 ( 2.790 -2.879 -1.891) 4.432 3.774 ( 2.648 -2.588 -1.506) 3.997 4.145 ( 6.073 -9.814 0.130) 11.542 4.164 ( 6.068 -9.771 -0.156) 11.503 4.284 ( 1.212 -2.322 -0.032) 2.619 4.291 ( 1.596 -2.860 -0.174) 3.280 5.422 ( 5.003 -10.759 0.253) 11.868 5.476 ( 5.121 -10.342 -0.329) 11.545 7.320 ( -1.131 3.139 0.161) 3.340 7.340 ( -1.470 2.615 -0.175) 3.005 7.342 ( -2.691 3.455 0.295) 4.389 7.367 ( -1.929 4.517 -0.112) 4.913 7.850 ( -0.022 -0.412 0.060) 0.416 7.876 ( -0.441 0.165 -0.285) 0.550 7.933 ( -1.144 1.226 0.779) 1.849 8.005 ( -0.094 0.856 -0.756) 1.146 8.515 ( -1.870 4.532 0.553) 4.934 8.557 ( -0.990 4.910 -0.229) 5.014 8.604 ( -4.428 8.226 0.257) 9.346 8.634 ( -5.533 6.546 0.060) 8.572 8.796 ( -0.625 0.921 3.785) 3.945 8.839 ( -1.571 1.020 0.121) 1.877 8.873 ( -0.841 1.265 0.105) 1.522 9.088 ( 1.165 -0.963 -2.288) 2.742 9.168 ( -0.614 -0.250 0.437) 0.794 9.232 ( 0.809 -0.086 -0.550) 0.982 9.262 ( -0.674 0.352 0.528) 0.926 9.324 ( 0.293 0.149 -0.758) 0.826 9.925 ( -2.033 2.524 0.922) 3.370 10.015 ( -1.464 2.830 -0.835) 3.294 10.734 ( 2.129 -3.598 0.622) 4.227 10.820 ( 1.450 -2.490 -1.210) 3.125 ======================= Grid point 121 (44/171) ======================= q-point: ( 0.40 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.690 ( -11.381 12.087 -1.043) 16.635 0.766 ( -4.977 12.181 2.155) 13.334 0.962 ( -1.607 2.077 -0.767) 2.736 1.097 ( -2.935 10.152 -2.516) 10.863 1.771 ( -19.935 19.107 0.777) 27.624 1.777 ( -19.840 18.370 0.983) 27.057 2.112 ( 1.072 0.426 0.953) 1.496 2.217 ( 0.357 -0.583 -0.301) 0.747 2.249 ( 0.498 0.364 0.818) 1.025 2.351 ( 3.884 2.464 -0.874) 4.682 2.462 ( -0.875 -2.651 1.176) 3.030 2.589 ( 0.825 -5.264 1.364) 5.500 2.717 ( -5.003 -2.085 -1.255) 5.564 2.757 ( -2.942 1.499 2.092) 3.909 2.837 ( -1.562 2.926 -5.269) 6.226 2.937 ( -1.629 -1.467 -2.235) 3.131 3.031 ( 8.376 -6.384 2.264) 10.772 3.060 ( 7.161 -4.569 -0.525) 8.511 3.131 ( 5.065 -3.663 0.634) 6.283 3.162 ( 7.789 -8.888 1.558) 11.921 3.424 ( 2.208 -4.697 1.018) 5.289 3.488 ( 1.819 -2.899 2.059) 3.994 3.633 ( 3.535 -2.686 -2.443) 5.067 3.701 ( 2.726 -1.839 -1.046) 3.451 3.908 ( 8.736 -14.027 0.244) 16.527 3.926 ( 8.717 -13.794 -0.224) 16.320 4.201 ( 7.089 -1.892 0.004) 7.337 4.210 ( 6.196 -1.094 -0.247) 6.297 5.219 ( 6.039 -11.237 -0.277) 12.759 5.278 ( 6.234 -10.488 0.272) 12.204 7.373 ( -1.112 3.634 0.019) 3.800 7.392 ( -1.076 3.656 -0.123) 3.813 7.438 ( -4.750 3.216 0.346) 5.746 7.457 ( -4.151 3.649 -0.126) 5.528 7.844 ( -0.086 -1.172 0.247) 1.201 7.873 ( 0.244 -1.155 -0.301) 1.218 7.972 ( -1.469 1.630 0.564) 2.266 8.016 ( -0.305 1.299 -0.641) 1.480 8.605 ( -2.875 5.236 0.135) 5.975 8.632 ( -2.118 5.203 -0.088) 5.619 8.760 ( -4.711 6.216 1.081) 7.875 8.795 ( -5.858 4.933 0.297) 7.664 8.849 ( -3.098 2.516 1.567) 4.287 8.888 ( -3.291 2.038 -0.141) 3.874 8.905 ( -1.285 1.404 0.423) 1.949 9.050 ( 1.219 -0.189 -2.915) 3.165 9.175 ( -0.287 -0.380 0.400) 0.622 9.215 ( 0.811 -0.179 -0.457) 0.948 9.272 ( 0.077 -0.297 0.946) 0.995 9.314 ( 0.529 -0.544 -0.438) 0.876 10.004 ( -3.597 3.262 0.947) 4.947 10.078 ( -2.807 3.670 -0.808) 4.691 10.657 ( 3.281 -3.742 1.204) 5.120 10.753 ( 2.757 -3.225 -1.505) 4.502 ======================= Grid point 122 (45/171) ======================= q-point: ( 0.50 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( -8.488 11.475 -1.226) 14.326 0.983 ( -12.013 10.645 -2.594) 16.259 1.220 ( -15.297 12.042 3.840) 19.843 1.232 ( -2.076 10.610 -1.182) 10.876 2.095 ( 0.745 0.741 0.358) 1.110 2.187 ( -4.483 5.359 1.086) 7.071 2.198 ( 0.873 -0.311 -0.255) 0.961 2.228 ( -10.750 7.179 -3.060) 13.284 2.278 ( -8.609 4.232 0.356) 9.600 2.292 ( 0.311 1.520 -0.645) 1.680 2.507 ( -7.166 1.707 1.730) 7.567 2.533 ( 2.364 -6.431 1.043) 6.930 2.645 ( 9.053 -10.325 2.475) 13.953 2.712 ( 6.479 -7.231 1.842) 9.883 2.782 ( 2.329 -7.440 -2.077) 8.068 2.854 ( -0.645 -4.534 0.066) 4.580 2.942 ( -1.208 4.838 -1.373) 5.172 3.032 ( -5.375 4.867 -1.066) 7.330 3.077 ( -0.017 6.034 0.316) 6.042 3.130 ( 0.005 2.614 0.917) 2.771 3.350 ( 2.382 -3.701 0.910) 4.494 3.437 ( 2.008 -2.100 1.232) 3.156 3.521 ( 5.842 -6.080 -2.772) 8.876 3.613 ( 9.276 -17.054 0.280) 19.415 3.633 ( 4.337 -7.985 0.780) 9.120 3.666 ( 4.026 -4.826 -1.264) 6.411 4.013 ( 14.949 0.318 0.544) 14.962 4.044 ( 13.695 0.793 -0.658) 13.733 5.042 ( 2.049 -10.649 -0.554) 10.859 5.100 ( 3.191 -10.091 0.473) 10.594 7.419 ( -0.443 3.155 -0.081) 3.187 7.437 ( -0.343 3.146 -0.047) 3.165 7.552 ( -4.903 3.048 0.210) 5.777 7.560 ( -4.490 2.751 0.015) 5.266 7.833 ( -0.043 -1.895 0.154) 1.902 7.847 ( 0.532 -2.010 -0.216) 2.090 8.008 ( -0.706 1.369 0.414) 1.595 8.031 ( -0.073 1.398 -0.477) 1.479 8.696 ( -2.013 4.989 -0.194) 5.383 8.713 ( -1.623 4.957 0.157) 5.219 8.849 ( -1.582 1.787 1.483) 2.810 8.881 ( -2.223 0.503 0.519) 2.338 8.930 ( -1.439 1.249 0.497) 1.969 8.975 ( -5.142 4.186 -0.358) 6.640 8.996 ( -2.936 2.915 -0.654) 4.189 9.039 ( -2.880 1.942 -1.745) 3.887 9.174 ( -0.036 -0.518 0.168) 0.545 9.200 ( 0.774 -0.005 -0.173) 0.794 9.258 ( 1.250 -1.275 0.947) 2.021 9.290 ( 1.236 -1.402 -0.379) 1.907 10.106 ( -4.220 3.587 0.387) 5.552 10.166 ( -3.526 4.143 -0.368) 5.453 10.570 ( 3.531 -3.633 1.594) 5.311 10.660 ( 3.575 -3.673 -1.657) 5.387 ======================= Grid point 123 (46/171) ======================= q-point: ( 0.60 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( -3.901 10.025 -0.049) 10.757 1.289 ( -1.748 10.450 -1.135) 10.656 1.355 ( -10.432 9.193 -0.658) 13.920 1.612 ( -14.206 10.390 1.867) 17.699 2.048 ( 7.763 -5.890 -1.772) 9.904 2.101 ( 5.204 0.048 0.272) 5.211 2.151 ( 2.967 -3.300 -1.225) 4.604 2.225 ( 1.392 0.430 1.079) 1.813 2.265 ( 5.643 -1.350 -0.146) 5.804 2.330 ( 5.149 -3.451 1.827) 6.462 2.438 ( 0.715 -2.990 0.079) 3.075 2.484 ( 1.382 -0.803 -2.854) 3.271 2.716 ( -3.350 -1.212 2.117) 4.144 2.778 ( -14.915 1.340 0.563) 14.986 2.814 ( -4.575 -2.862 1.088) 5.505 2.883 ( -15.100 -4.925 -1.784) 15.983 2.970 ( -3.208 -1.137 0.944) 3.532 3.093 ( -0.275 -0.567 0.788) 1.009 3.165 ( 1.955 -3.868 -3.053) 5.301 3.258 ( 0.301 -1.041 0.633) 1.255 3.273 ( 2.787 -3.699 0.284) 4.640 3.295 ( 0.422 -0.528 -0.028) 0.677 3.355 ( 0.709 -5.362 -0.334) 5.419 3.418 ( 0.036 -0.312 1.628) 1.658 3.533 ( 2.883 3.826 -1.204) 4.940 3.641 ( 1.395 0.924 -0.739) 1.829 3.744 ( 18.103 5.575 1.111) 18.975 3.795 ( 16.155 2.565 -1.186) 16.400 4.956 ( -3.168 -9.336 -0.533) 9.873 4.997 ( -1.567 -9.095 0.325) 9.235 7.442 ( 0.664 1.939 0.046) 2.050 7.456 ( 0.796 1.663 -0.136) 1.848 7.629 ( -1.445 1.835 0.120) 2.339 7.656 ( -3.177 1.751 0.119) 3.630 7.804 ( 0.219 -1.790 -0.300) 1.828 7.841 ( -1.426 -1.303 0.204) 1.942 8.020 ( 0.515 0.567 0.134) 0.777 8.037 ( 0.600 0.791 -0.263) 1.027 8.754 ( 0.239 3.894 -0.237) 3.908 8.769 ( 0.453 4.039 0.198) 4.069 8.874 ( -0.231 -0.203 -0.002) 0.308 8.915 ( -1.369 0.139 0.915) 1.652 8.957 ( -0.571 0.952 0.592) 1.258 8.994 ( 0.973 0.859 -1.595) 2.056 9.096 ( -4.367 2.549 -0.373) 5.071 9.149 ( -4.691 2.030 0.034) 5.111 9.171 ( -0.258 -0.477 -0.049) 0.544 9.189 ( 0.584 0.263 0.158) 0.660 9.212 ( 2.387 -2.128 0.363) 3.218 9.243 ( 2.228 -1.959 -0.219) 2.975 10.200 ( -2.925 2.969 -0.352) 4.182 10.247 ( -1.023 2.948 0.151) 3.124 10.497 ( 1.775 -2.847 0.936) 3.483 10.570 ( 1.915 -2.825 -1.046) 3.569 ======================= Grid point 124 (47/171) ======================= q-point: (-0.30 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( 12.034 5.409 -0.400) 13.200 1.254 ( 4.174 6.324 -0.034) 7.578 1.402 ( 13.139 -3.522 -1.647) 13.702 1.654 ( 15.119 -4.063 1.311) 15.710 2.038 ( -10.580 3.501 0.481) 11.154 2.103 ( -2.355 3.481 0.784) 4.275 2.149 ( -4.455 1.625 -2.392) 5.311 2.228 ( 0.067 0.564 2.247) 2.318 2.244 ( -1.740 1.640 0.320) 2.412 2.320 ( -10.157 4.631 0.638) 11.181 2.459 ( -4.221 1.158 -0.647) 4.424 2.486 ( -0.496 0.944 -3.036) 3.217 2.686 ( 8.194 -9.048 -0.035) 12.207 2.778 ( 3.669 -5.476 0.425) 6.605 2.818 ( 1.321 -6.438 1.350) 6.710 2.879 ( 6.093 -17.376 -0.251) 18.415 2.937 ( -0.653 -3.304 -2.682) 4.305 3.049 ( -3.576 -2.283 -2.919) 5.149 3.214 ( -1.292 0.243 2.133) 2.506 3.255 ( -0.062 0.925 -0.035) 0.928 3.316 ( -6.396 -1.055 0.635) 6.513 3.332 ( -10.196 -0.823 0.398) 10.236 3.347 ( 2.198 -0.850 1.316) 2.699 3.396 ( 0.141 -0.045 0.519) 0.539 3.532 ( 1.818 4.641 0.092) 4.985 3.613 ( 2.456 -2.027 -1.815) 3.665 3.711 ( -5.431 20.120 -0.945) 20.862 3.803 ( -4.590 15.260 0.226) 15.936 4.962 ( -7.214 -7.002 -0.346) 10.059 4.985 ( -5.977 -6.712 0.071) 8.988 7.431 ( 2.020 0.324 0.243) 2.060 7.439 ( 2.053 0.025 -0.280) 2.072 7.635 ( 1.808 0.047 0.521) 1.883 7.660 ( 2.527 -1.005 -0.537) 2.772 7.828 ( -2.998 1.141 0.422) 3.236 7.864 ( -1.715 0.349 -0.345) 1.784 8.006 ( 1.238 -0.472 -0.025) 1.326 8.022 ( 1.304 -0.359 -0.112) 1.357 8.756 ( 2.933 2.376 -0.089) 3.776 8.769 ( 3.383 2.464 0.083) 4.186 8.857 ( 1.170 -1.137 -0.794) 1.815 8.934 ( -0.188 0.248 0.702) 0.768 8.969 ( 0.422 0.476 -0.003) 0.636 8.980 ( 0.683 0.348 -0.255) 0.807 9.101 ( 4.695 -2.706 0.082) 5.420 9.145 ( 3.543 -3.027 0.203) 4.664 9.174 ( -0.656 -0.051 -0.046) 0.659 9.183 ( -0.396 0.060 0.465) 0.614 9.203 ( -1.845 0.506 -1.094) 2.204 9.250 ( -2.902 1.410 0.164) 3.231 10.222 ( 3.478 0.082 0.138) 3.481 10.229 ( 3.303 -0.176 -0.343) 3.326 10.481 ( -2.406 -0.641 -1.007) 2.686 10.579 ( -4.001 0.540 0.649) 4.089 ======================= Grid point 125 (48/171) ======================= q-point: (-0.20 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( 16.901 -0.624 -1.630) 16.991 1.140 ( 14.069 0.893 2.139) 14.259 1.177 ( 11.886 -0.342 -1.655) 12.006 1.298 ( 18.678 -2.393 1.156) 18.866 2.108 ( -0.341 2.797 -0.077) 2.819 2.151 ( -1.850 0.133 -0.185) 1.864 2.190 ( 11.429 -4.570 0.687) 12.328 2.201 ( 3.004 -2.243 0.400) 3.771 2.303 ( 7.795 -5.151 0.451) 9.354 2.353 ( 19.105 -10.404 -0.447) 21.759 2.502 ( -2.621 2.777 -0.199) 3.824 2.536 ( -7.873 1.620 -1.871) 8.253 2.597 ( -16.759 4.862 -2.408) 17.615 2.696 ( -15.022 4.727 0.071) 15.748 2.823 ( -3.678 -2.733 1.572) 4.844 2.839 ( -1.434 -3.134 -0.302) 3.459 2.946 ( -2.292 0.723 -0.870) 2.556 3.039 ( 2.317 -2.213 -0.180) 3.209 3.067 ( 7.181 -0.060 -1.439) 7.324 3.098 ( 7.920 2.034 0.355) 8.185 3.379 ( -4.120 -0.447 2.807) 5.005 3.427 ( -3.129 1.667 -0.553) 3.589 3.513 ( -5.778 1.129 1.971) 6.208 3.580 ( -3.727 -2.401 -1.357) 4.637 3.646 ( -16.232 -0.430 -0.674) 16.252 3.655 ( -17.113 -0.105 -0.928) 17.139 3.993 ( -7.522 13.858 -0.276) 15.771 4.039 ( -5.898 12.295 0.241) 13.639 5.062 ( -10.630 -2.820 0.230) 11.000 5.072 ( -10.155 -2.727 -0.487) 10.526 7.387 ( 2.816 -1.007 0.214) 2.998 7.392 ( 2.881 -1.023 -0.232) 3.066 7.578 ( 4.638 -1.014 0.239) 4.754 7.587 ( 4.400 -0.873 -0.215) 4.491 7.886 ( -0.850 1.819 0.286) 2.028 7.896 ( -1.594 1.906 -0.324) 2.506 7.974 ( 1.278 -1.607 -0.115) 2.057 7.991 ( 1.118 -1.553 0.052) 1.914 8.704 ( 5.171 0.929 0.173) 5.256 8.709 ( 5.479 0.878 -0.156) 5.551 8.810 ( 2.606 -1.490 -1.058) 3.183 8.919 ( 2.840 -0.155 0.039) 2.845 8.951 ( 1.845 0.297 0.008) 1.869 8.965 ( 4.182 -2.472 0.528) 4.887 8.974 ( 4.316 -2.373 -0.564) 4.957 9.053 ( 3.002 -1.773 0.947) 3.613 9.185 ( 0.074 0.260 0.051) 0.275 9.190 ( -1.024 0.206 0.032) 1.045 9.239 ( -1.831 0.100 -0.800) 2.000 9.298 ( -1.636 0.575 0.194) 1.745 10.124 ( 6.111 -1.152 -0.180) 6.221 10.156 ( 4.492 -1.303 -0.029) 4.677 10.547 ( -5.084 0.926 -0.908) 5.247 10.672 ( -5.098 1.249 0.697) 5.295 ======================= Grid point 126 (49/171) ======================= q-point: (-0.10 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.743 ( 12.891 0.525 -0.836) 12.929 0.809 ( 22.312 -3.075 0.190) 22.524 1.016 ( 3.235 1.646 0.759) 3.708 1.090 ( 10.363 0.204 1.051) 10.418 1.750 ( 31.180 -8.767 -0.737) 32.397 1.781 ( 23.467 -6.276 -0.423) 24.295 2.134 ( 0.579 2.088 0.211) 2.177 2.179 ( -1.325 0.015 -0.650) 1.476 2.224 ( -1.363 -2.313 0.771) 2.793 2.292 ( -0.491 0.225 -0.633) 0.832 2.556 ( 0.959 3.644 -0.214) 3.774 2.614 ( -5.307 0.878 -1.208) 5.513 2.739 ( 3.003 -4.764 0.274) 5.638 2.773 ( 5.471 -0.865 -0.093) 5.540 2.892 ( -2.655 1.580 1.483) 3.427 2.962 ( -0.294 -0.262 1.030) 1.102 2.995 ( -10.505 5.015 -0.977) 11.681 3.053 ( -2.779 -1.548 -0.944) 3.318 3.108 ( -10.657 3.476 0.940) 11.249 3.124 ( -12.265 1.760 -1.377) 12.466 3.473 ( -5.691 0.420 1.536) 5.909 3.517 ( -4.470 4.059 0.702) 6.079 3.588 ( -4.011 -0.200 -0.239) 4.023 3.617 ( -5.289 -2.846 -1.142) 6.114 3.920 ( -15.744 0.508 -0.148) 15.753 3.943 ( -15.781 0.561 0.020) 15.791 4.191 ( -5.548 5.348 0.002) 7.706 4.202 ( -4.151 4.706 0.058) 6.275 5.246 ( -11.873 0.923 0.027) 11.909 5.258 ( -13.312 0.449 -0.157) 13.321 7.330 ( 2.933 -1.007 0.071) 3.102 7.332 ( 2.551 -1.233 -0.084) 2.835 7.481 ( 5.915 -0.622 -0.046) 5.948 7.496 ( 5.665 -0.593 0.035) 5.696 7.897 ( 1.338 1.825 -0.077) 2.264 7.922 ( 1.383 1.459 0.062) 2.011 7.938 ( 0.711 -1.879 -0.102) 2.012 7.973 ( -1.274 -1.419 0.096) 1.910 8.610 ( 6.343 0.019 0.051) 6.344 8.618 ( 5.706 -0.182 -0.009) 5.709 8.723 ( 6.122 -1.976 -0.676) 6.468 8.812 ( 8.129 -1.970 0.095) 8.365 8.835 ( 5.206 -1.505 -0.422) 5.436 8.910 ( 2.996 -0.399 -0.046) 3.023 8.920 ( 2.218 0.015 -0.030) 2.218 9.049 ( -1.581 -0.097 0.867) 1.806 9.186 ( 0.083 0.211 -0.071) 0.238 9.208 ( -0.947 0.164 0.066) 0.964 9.257 ( -0.747 -0.126 -0.371) 0.843 9.319 ( -0.582 0.123 0.158) 0.616 10.017 ( 5.404 -0.746 -0.218) 5.459 10.074 ( 3.977 -0.872 0.115) 4.073 10.640 ( -5.309 0.834 -0.375) 5.388 10.762 ( -4.257 0.747 0.402) 4.341 ======================= Grid point 130 (50/171) ======================= q-point: ( 0.30 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.368 ( 0.000 6.172 15.766) 16.931 0.406 ( 0.000 12.793 9.563) 15.972 0.739 ( 0.000 29.495 7.867) 30.526 0.888 ( -0.000 6.335 -4.462) 7.748 0.950 ( 0.000 17.456 -6.122) 18.499 1.250 ( -0.000 -4.325 -4.989) 6.603 2.127 ( 0.000 0.836 0.903) 1.231 2.221 ( -0.000 -0.141 -3.130) 3.133 2.226 ( 0.000 1.416 2.564) 2.929 2.352 ( 0.000 0.235 2.693) 2.703 2.570 ( -0.000 -1.908 -1.313) 2.316 2.571 ( -0.000 7.012 -10.960) 13.011 2.619 ( 0.000 2.220 -0.076) 2.221 2.636 ( 0.000 2.945 -0.798) 3.051 2.882 ( -0.000 -7.693 -0.647) 7.721 2.935 ( -0.000 -4.381 -2.396) 4.993 3.068 ( 0.000 1.562 1.670) 2.287 3.197 ( 0.000 -3.795 4.760) 6.087 3.464 ( -0.000 -2.648 1.020) 2.837 3.523 ( -0.000 -3.907 0.808) 3.990 3.608 ( -0.000 -7.658 2.562) 8.075 3.610 ( -0.000 -7.878 1.958) 8.117 3.769 ( -0.000 -3.106 -2.014) 3.702 3.818 ( -0.000 -2.867 -2.309) 3.681 4.276 ( -0.000 -6.092 0.223) 6.096 4.293 ( -0.000 -6.024 -0.274) 6.030 4.311 ( -0.000 -2.232 0.125) 2.235 4.322 ( -0.000 -2.279 -0.227) 2.291 5.561 ( -0.000 -8.443 0.554) 8.461 5.610 ( -0.000 -8.270 -0.800) 8.309 7.284 ( 0.000 3.828 0.380) 3.846 7.291 ( 0.000 1.331 0.238) 1.352 7.307 ( 0.000 1.265 -0.223) 1.285 7.309 ( 0.000 4.197 -0.261) 4.205 7.851 ( 0.000 0.091 0.027) 0.095 7.864 ( -0.000 0.556 -0.553) 0.784 7.919 ( 0.000 0.670 1.318) 1.479 7.994 ( -0.000 0.678 -1.054) 1.253 8.473 ( 0.000 2.781 0.984) 2.950 8.486 ( 0.000 6.698 -0.133) 6.700 8.510 ( 0.000 5.988 0.098) 5.989 8.525 ( 0.000 2.859 -0.144) 2.862 8.816 ( 0.000 0.890 0.237) 0.921 8.831 ( 0.000 -3.148 4.750) 5.698 8.862 ( 0.000 -0.768 3.572) 3.654 9.102 ( -0.000 -1.554 -2.179) 2.676 9.163 ( 0.000 0.101 0.784) 0.790 9.240 ( -0.000 -0.232 -1.474) 1.492 9.245 ( 0.000 1.229 0.550) 1.347 9.312 ( -0.000 2.081 -2.286) 3.091 9.893 ( 0.000 1.702 1.197) 2.081 9.976 ( -0.000 1.911 -1.207) 2.261 10.785 ( -0.000 -2.753 0.559) 2.809 10.847 ( -0.000 -1.757 -1.360) 2.222 ======================= Grid point 131 (51/171) ======================= q-point: ( 0.40 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.483 ( -1.250 10.047 9.245) 13.710 0.592 ( -3.775 12.074 8.077) 15.009 0.932 ( -1.708 7.549 -5.925) 9.747 1.008 ( 3.152 0.566 -9.193) 9.735 1.232 ( -17.229 25.496 4.185) 31.055 1.357 ( -11.839 16.315 0.903) 20.178 2.129 ( 0.906 0.536 1.051) 1.488 2.215 ( -0.595 -0.342 -2.032) 2.144 2.252 ( 0.270 1.635 2.763) 3.222 2.368 ( 0.338 0.932 1.067) 1.457 2.486 ( 2.468 0.059 -1.758) 3.031 2.618 ( -3.180 -1.562 -1.234) 3.751 2.654 ( -1.449 1.723 0.395) 2.286 2.704 ( -2.154 2.306 -0.267) 3.166 2.790 ( 0.333 -3.602 -6.236) 7.209 2.919 ( -3.085 -4.944 -2.366) 6.290 3.089 ( 0.447 1.662 1.595) 2.347 3.153 ( 3.906 -1.370 3.142) 5.196 3.376 ( 5.379 -8.140 -0.309) 9.762 3.398 ( 7.854 -11.236 0.472) 13.717 3.515 ( 2.085 -6.310 1.853) 6.899 3.556 ( 1.468 -4.068 3.838) 5.782 3.703 ( 2.497 -3.399 -2.585) 4.947 3.758 ( 2.186 -2.722 -2.485) 4.285 4.147 ( 6.098 -9.791 0.200) 11.536 4.162 ( 6.056 -9.776 -0.232) 11.503 4.284 ( 1.227 -2.439 -0.022) 2.730 4.290 ( 1.529 -2.892 -0.232) 3.280 5.425 ( 5.256 -10.779 0.383) 11.998 5.473 ( 4.819 -10.275 -0.477) 11.359 7.322 ( -1.097 3.074 0.243) 3.273 7.338 ( -1.442 2.658 -0.263) 3.036 7.345 ( -2.645 3.571 0.451) 4.467 7.366 ( -2.030 4.412 -0.252) 4.863 7.851 ( -0.013 -0.299 0.088) 0.312 7.873 ( -0.548 0.166 -0.330) 0.661 7.941 ( -0.969 1.105 1.135) 1.856 7.998 ( -0.220 0.852 -1.133) 1.434 8.520 ( -1.544 4.692 0.496) 4.965 8.555 ( -1.150 4.662 -0.174) 4.805 8.605 ( -4.669 8.077 0.152) 9.331 8.635 ( -5.535 6.648 0.115) 8.652 8.828 ( -0.232 -0.204 3.764) 3.777 8.840 ( -1.462 0.912 0.234) 1.739 8.878 ( -0.482 1.348 1.533) 2.097 9.064 ( 1.306 -1.094 -3.544) 3.932 9.173 ( -0.536 -0.283 0.787) 0.994 9.226 ( 0.571 -0.182 -1.035) 1.196 9.268 ( -0.669 0.677 0.917) 1.322 9.317 ( 0.101 0.547 -1.108) 1.240 9.935 ( -1.967 2.559 1.426) 3.529 10.006 ( -1.569 2.817 -1.317) 3.483 10.741 ( 2.038 -3.441 1.030) 4.130 10.809 ( 1.469 -2.517 -1.720) 3.384 ======================= Grid point 132 (52/171) ======================= q-point: ( 0.50 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.686 ( -8.521 9.790 0.133) 12.979 0.778 ( -2.437 10.682 0.751) 10.982 0.959 ( -5.802 5.659 0.165) 8.106 1.074 ( -3.464 10.780 -3.139) 11.750 1.778 ( -19.425 18.320 0.848) 26.715 1.785 ( -19.579 17.665 0.885) 26.385 2.121 ( 1.194 0.604 1.102) 1.734 2.211 ( -0.133 -0.631 -1.199) 1.362 2.261 ( 1.545 1.153 2.109) 2.857 2.342 ( 4.031 1.894 -1.447) 4.683 2.475 ( -2.199 -3.204 2.080) 4.407 2.597 ( 0.966 -5.301 0.524) 5.414 2.705 ( -5.333 -3.044 -1.676) 6.365 2.777 ( -2.978 2.404 2.892) 4.797 2.801 ( -2.888 4.985 -3.659) 6.825 2.914 ( -2.379 -2.303 -3.436) 4.772 3.043 ( 11.212 -11.007 0.764) 15.730 3.059 ( 6.479 -0.428 0.038) 6.493 3.138 ( 6.001 -6.252 0.969) 8.720 3.173 ( 6.072 -6.122 1.221) 8.709 3.436 ( 2.817 -4.020 1.797) 5.227 3.503 ( 2.905 -1.995 1.639) 3.887 3.614 ( 3.123 -3.524 -2.073) 5.145 3.690 ( 2.056 -2.024 -1.643) 3.320 3.910 ( 8.676 -13.918 0.311) 16.403 3.924 ( 8.737 -13.866 -0.293) 16.392 4.201 ( 6.910 -1.859 0.065) 7.156 4.208 ( 6.261 -1.261 -0.307) 6.394 5.217 ( 6.263 -11.263 -0.244) 12.889 5.280 ( 6.001 -10.480 0.239) 12.079 7.373 ( -1.009 3.642 0.026) 3.779 7.391 ( -1.174 3.613 -0.129) 3.801 7.441 ( -4.704 3.239 0.435) 5.727 7.456 ( -4.178 3.643 -0.219) 5.547 7.846 ( -0.127 -1.077 0.304) 1.126 7.870 ( 0.258 -1.259 -0.358) 1.334 7.978 ( -1.317 1.632 0.763) 2.232 8.010 ( -0.486 1.279 -0.839) 1.605 8.606 ( -2.661 5.311 0.092) 5.941 8.631 ( -2.278 5.087 -0.038) 5.574 8.768 ( -5.426 6.454 0.729) 8.464 8.798 ( -5.903 5.187 0.437) 7.870 8.863 ( -2.226 1.272 1.596) 3.020 8.888 ( -3.255 1.930 0.083) 3.785 8.911 ( -0.982 1.665 1.292) 2.325 9.023 ( 1.075 0.088 -3.787) 3.938 9.179 ( -0.171 -0.444 0.547) 0.725 9.211 ( 0.622 -0.151 -0.608) 0.883 9.280 ( 0.087 -0.268 1.087) 1.123 9.310 ( 0.452 -0.436 -0.647) 0.902 10.013 ( -3.355 3.238 1.213) 4.819 10.070 ( -3.036 3.681 -1.071) 4.890 10.669 ( 3.174 -3.641 1.681) 5.114 10.739 ( 2.751 -3.213 -1.978) 4.670 ======================= Grid point 133 (53/171) ======================= q-point: ( 0.60 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( -13.473 10.572 -2.498) 17.307 0.976 ( -7.810 11.163 0.095) 13.624 1.222 ( -2.613 11.257 -0.994) 11.599 1.245 ( -14.602 12.109 2.452) 19.127 2.097 ( 0.798 0.689 0.337) 1.107 2.195 ( -1.534 1.750 0.086) 2.329 2.197 ( -2.041 2.976 0.486) 3.641 2.207 ( -9.023 6.918 -1.962) 11.538 2.281 ( -6.464 3.289 0.280) 7.259 2.286 ( -2.326 2.289 -0.679) 3.333 2.515 ( -0.751 -1.989 0.294) 2.147 2.547 ( -4.084 -3.823 2.375) 6.077 2.660 ( 8.308 -10.513 1.071) 13.442 2.725 ( 8.323 -8.634 1.234) 12.056 2.767 ( -1.009 -6.185 -1.321) 6.405 2.855 ( 0.561 -2.794 0.145) 2.854 2.938 ( -1.616 3.851 0.313) 4.188 3.017 ( -5.948 6.200 -2.485) 8.944 3.076 ( 0.099 5.537 -0.296) 5.546 3.141 ( 0.719 2.284 1.528) 2.841 3.362 ( 2.862 -3.301 2.136) 4.864 3.436 ( 3.312 -1.796 -1.725) 4.144 3.508 ( 4.713 -5.862 -0.488) 7.537 3.615 ( 9.316 -17.277 0.132) 19.629 3.638 ( 3.750 -6.771 0.467) 7.754 3.656 ( 4.317 -6.489 -1.210) 7.887 4.018 ( 14.649 0.335 0.725) 14.671 4.038 ( 13.833 0.628 -0.817) 13.871 5.038 ( 2.101 -10.636 -0.402) 10.849 5.103 ( 3.154 -10.180 0.336) 10.663 7.418 ( -0.404 3.235 -0.061) 3.261 7.436 ( -0.404 3.036 -0.043) 3.063 7.554 ( -4.509 3.112 0.206) 5.482 7.560 ( -4.873 2.737 -0.023) 5.589 7.835 ( 0.437 -2.088 0.160) 2.139 7.845 ( 0.057 -1.845 -0.211) 1.857 8.012 ( -0.582 1.314 0.533) 1.533 8.027 ( -0.206 1.408 -0.584) 1.538 8.695 ( -1.928 4.983 -0.142) 5.344 8.714 ( -1.707 4.935 0.117) 5.223 8.860 ( -1.369 1.109 1.161) 2.110 8.886 ( -2.247 0.617 0.668) 2.424 8.935 ( -1.501 1.682 0.820) 2.399 8.971 ( -3.830 3.436 -0.667) 5.189 8.989 ( -2.352 2.410 -0.985) 3.508 9.027 ( -4.807 3.227 -1.164) 5.906 9.175 ( 0.065 -0.615 0.156) 0.638 9.198 ( 0.655 0.069 -0.163) 0.678 9.265 ( 1.347 -1.336 0.920) 2.108 9.286 ( 1.160 -1.388 -0.506) 1.878 10.109 ( -3.841 3.500 0.354) 5.209 10.164 ( -3.851 4.157 -0.338) 5.677 10.584 ( 3.577 -3.723 1.901) 5.502 10.646 ( 3.477 -3.587 -1.951) 5.363 ======================= Grid point 134 (54/171) ======================= q-point: ( 0.70 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( -3.819 9.659 -0.000) 10.387 1.281 ( -4.141 10.627 -0.780) 11.432 1.351 ( -8.740 8.891 -0.285) 12.471 1.624 ( -13.773 10.799 1.082) 17.535 2.037 ( 8.168 -6.550 -0.981) 10.516 2.104 ( 5.139 0.486 0.324) 5.172 2.142 ( 3.224 -3.151 -0.904) 4.598 2.230 ( 0.883 0.949 0.257) 1.321 2.264 ( 4.990 -1.232 -0.077) 5.141 2.348 ( 4.008 -2.797 2.294) 5.399 2.439 ( 1.723 -3.861 0.165) 4.231 2.461 ( 2.269 -1.862 -2.845) 4.088 2.732 ( -5.356 -0.075 1.538) 5.573 2.783 ( -11.743 0.028 0.662) 11.762 2.820 ( -4.044 -3.705 0.538) 5.511 2.869 ( -15.811 -4.710 -1.381) 16.555 2.976 ( -3.503 -1.018 0.614) 3.699 3.099 ( -0.930 -0.664 0.611) 1.295 3.145 ( 2.625 -4.026 -1.956) 5.189 3.262 ( -1.806 2.843 0.362) 3.387 3.275 ( 5.527 -7.926 0.278) 9.666 3.294 ( -0.173 0.105 -0.192) 0.279 3.353 ( 0.144 -4.374 -0.174) 4.380 3.428 ( 0.475 -0.185 0.971) 1.097 3.525 ( 2.839 3.311 -0.730) 4.422 3.636 ( 0.976 0.702 -0.504) 1.304 3.753 ( 18.370 5.806 1.044) 19.294 3.785 ( 16.042 2.043 -1.101) 16.209 4.952 ( -3.177 -9.352 -0.300) 9.881 4.999 ( -1.563 -9.176 0.171) 9.309 7.442 ( 0.640 2.055 0.037) 2.152 7.455 ( 0.794 1.537 -0.094) 1.732 7.629 ( -1.510 2.041 0.079) 2.540 7.656 ( -3.050 1.540 0.070) 3.417 7.802 ( 0.071 -1.699 -0.175) 1.710 7.842 ( -1.311 -1.362 0.115) 1.894 8.021 ( 0.592 0.470 0.115) 0.765 8.035 ( 0.515 0.821 -0.194) 0.989 8.752 ( 0.209 3.873 -0.127) 3.881 8.770 ( 0.465 4.043 0.103) 4.071 8.874 ( 0.026 -0.549 0.002) 0.549 8.921 ( -1.442 0.088 0.726) 1.617 8.962 ( -0.291 1.043 0.667) 1.272 8.981 ( 0.599 1.038 -1.440) 1.873 9.094 ( -4.404 2.518 -0.227) 5.078 9.149 ( -4.735 2.128 0.029) 5.191 9.170 ( -0.253 -0.515 -0.037) 0.575 9.190 ( 0.397 0.438 0.076) 0.596 9.215 ( 2.782 -2.404 0.251) 3.685 9.241 ( 2.099 -1.956 -0.158) 2.873 10.198 ( -2.765 2.937 -0.208) 4.039 10.248 ( -1.178 2.886 0.085) 3.119 10.504 ( 2.452 -3.323 0.727) 4.193 10.562 ( 1.279 -2.447 -0.796) 2.873 ======================= Grid point 135 (55/171) ======================= q-point: (-0.20 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( 13.088 5.011 -0.168) 14.015 1.254 ( 3.244 6.400 -0.021) 7.175 1.393 ( 12.803 -3.628 -0.563) 13.319 1.661 ( 15.354 -3.799 0.453) 15.824 2.041 ( -10.634 3.346 0.260) 11.151 2.111 ( -4.729 4.133 1.130) 6.382 2.131 ( -2.785 1.293 -1.832) 3.575 2.240 ( 0.476 0.508 0.757) 1.028 2.246 ( -1.484 1.668 0.113) 2.236 2.327 ( -10.415 4.864 0.755) 11.520 2.456 ( -3.152 1.235 -0.006) 3.386 2.465 ( -2.137 0.270 -1.880) 2.859 2.687 ( 11.280 -10.656 0.138) 15.518 2.781 ( 2.556 -3.582 0.235) 4.407 2.827 ( -0.999 -5.367 0.635) 5.496 2.876 ( 8.397 -18.705 -0.293) 20.505 2.922 ( -0.989 -3.383 -0.993) 3.661 3.032 ( -4.074 -3.009 -1.088) 5.180 3.226 ( 2.013 -0.066 0.733) 2.144 3.255 ( -3.616 1.195 -0.065) 3.809 3.318 ( -1.106 -1.508 0.086) 1.872 3.335 ( -13.015 -0.196 0.176) 13.018 3.358 ( -1.586 -0.564 0.996) 1.955 3.397 ( 0.882 0.576 -0.148) 1.064 3.534 ( 2.234 3.955 0.190) 4.546 3.602 ( 3.053 -2.608 -0.849) 4.104 3.705 ( -5.776 20.220 -0.341) 21.032 3.805 ( -4.591 15.527 0.073) 16.191 4.960 ( -7.340 -7.073 -0.125) 10.194 4.985 ( -5.870 -6.727 0.019) 8.928 7.433 ( 1.991 0.439 0.191) 2.048 7.437 ( 2.069 -0.093 -0.205) 2.082 7.638 ( 1.742 0.211 0.278) 1.777 7.656 ( 2.603 -1.147 -0.284) 2.859 7.831 ( -3.166 1.175 0.183) 3.382 7.862 ( -1.514 0.317 -0.154) 1.555 8.005 ( 1.248 -0.516 -0.007) 1.351 8.021 ( 1.257 -0.366 -0.045) 1.310 8.756 ( 2.870 2.359 -0.034) 3.716 8.769 ( 3.433 2.479 0.031) 4.235 8.853 ( 1.352 -1.245 -0.276) 1.858 8.938 ( 0.024 0.226 0.283) 0.363 8.967 ( 0.881 0.782 -0.205) 1.196 8.980 ( -0.125 0.081 0.066) 0.163 9.101 ( 4.746 -2.795 0.028) 5.508 9.147 ( 3.407 -2.881 0.101) 4.463 9.173 ( -0.667 -0.037 -0.019) 0.668 9.187 ( 0.025 0.073 0.579) 0.584 9.195 ( -2.127 0.320 -0.834) 2.307 9.251 ( -2.946 1.453 0.057) 3.286 10.223 ( 2.403 0.183 0.105) 2.413 10.227 ( 4.373 -0.330 -0.183) 4.389 10.475 ( -2.216 -0.839 -0.361) 2.396 10.583 ( -4.201 0.644 0.223) 4.256 ======================= Grid point 136 (56/171) ======================= q-point: (-0.10 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( 16.820 -0.782 0.000) 16.838 1.153 ( 12.738 0.863 0.000) 12.768 1.167 ( 13.123 -0.499 0.000) 13.132 1.303 ( 18.540 -1.999 0.000) 18.648 2.108 ( -0.388 2.868 -0.000) 2.894 2.150 ( -1.754 0.047 -0.000) 1.754 2.193 ( 12.997 -4.998 0.000) 13.925 2.203 ( 2.062 -2.105 0.000) 2.947 2.306 ( 5.889 -4.246 0.000) 7.260 2.351 ( 21.435 -11.773 0.000) 24.456 2.503 ( -3.758 3.939 -0.000) 5.444 2.526 ( -4.282 -0.641 -0.000) 4.330 2.588 ( -20.100 6.685 -0.000) 21.182 2.696 ( -15.351 5.052 -0.000) 16.161 2.832 ( -2.601 -5.524 0.000) 6.106 2.835 ( -1.472 -0.977 0.000) 1.766 2.943 ( -3.218 0.820 -0.000) 3.321 3.038 ( -0.705 -2.106 0.000) 2.221 3.061 ( 9.846 -0.554 0.000) 9.862 3.100 ( 8.133 2.278 0.000) 8.446 3.393 ( -4.787 -1.133 -0.000) 4.919 3.422 ( -2.537 2.814 -0.000) 3.789 3.524 ( -4.937 1.512 -0.000) 5.163 3.573 ( -3.129 -2.942 0.000) 4.295 3.644 ( -15.862 -0.751 -0.000) 15.880 3.651 ( -18.787 -0.113 -0.000) 18.788 3.992 ( -7.568 13.920 -0.000) 15.845 4.040 ( -5.871 12.309 -0.000) 13.637 5.063 ( -11.096 -3.118 -0.000) 11.526 5.069 ( -9.705 -2.474 -0.000) 10.016 7.389 ( 2.750 -1.240 0.000) 3.017 7.390 ( 2.945 -0.796 0.000) 3.051 7.579 ( 4.844 -1.185 0.000) 4.987 7.586 ( 4.201 -0.689 0.000) 4.257 7.888 ( -0.297 1.676 -0.000) 1.702 7.895 ( -2.141 2.043 -0.000) 2.959 7.973 ( 1.304 -1.613 0.000) 2.074 7.991 ( 1.076 -1.559 0.000) 1.894 8.705 ( 4.960 0.890 0.000) 5.039 8.708 ( 5.687 0.925 0.000) 5.761 8.806 ( 2.710 -1.531 0.000) 3.112 8.919 ( 2.898 -0.104 0.000) 2.900 8.951 ( 1.747 0.391 0.000) 1.790 8.968 ( 7.002 -3.402 0.000) 7.785 8.970 ( 1.695 -1.701 0.000) 2.401 9.057 ( 2.740 -1.673 0.000) 3.210 9.185 ( 0.156 0.277 -0.000) 0.318 9.190 ( -1.055 0.209 -0.000) 1.076 9.236 ( -1.871 0.057 -0.000) 1.872 9.298 ( -1.645 0.588 -0.000) 1.747 10.123 ( 6.168 -1.207 0.000) 6.285 10.156 ( 4.426 -1.273 0.000) 4.606 10.543 ( -5.108 0.904 -0.000) 5.188 10.675 ( -5.126 1.253 -0.000) 5.277 ======================= Grid point 139 (57/171) ======================= q-point: ( 0.20 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.472 ( 16.681 -0.000 4.166) 17.193 0.558 ( 13.530 -0.000 4.971) 14.414 0.896 ( 8.748 0.000 -4.656) 9.910 1.005 ( -4.448 0.000 -10.392) 11.304 1.217 ( 31.422 -0.000 6.707) 32.130 1.391 ( 20.033 -0.000 2.291) 20.164 2.130 ( 0.536 -0.000 0.215) 0.578 2.209 ( -0.714 0.000 -2.651) 2.745 2.212 ( -0.255 -0.000 2.387) 2.401 2.314 ( -0.199 -0.000 1.156) 1.173 2.544 ( 3.725 -0.000 1.839) 4.154 2.653 ( 2.754 -0.000 -0.392) 2.781 2.675 ( 5.117 -0.000 0.164) 5.120 2.720 ( -2.060 -0.000 0.971) 2.277 2.909 ( -3.264 0.000 -2.811) 4.308 2.926 ( -0.760 0.000 -5.479) 5.531 3.067 ( 0.592 -0.000 1.780) 1.876 3.125 ( -4.833 0.000 -0.191) 4.836 3.339 ( -9.418 -0.000 2.262) 9.686 3.392 ( -12.838 -0.000 2.813) 13.142 3.558 ( -6.993 0.000 -1.838) 7.231 3.570 ( -4.940 0.000 -4.768) 6.866 3.686 ( -4.340 -0.000 2.057) 4.803 3.712 ( -6.092 0.000 0.332) 6.101 4.149 ( -10.990 0.000 0.309) 10.995 4.166 ( -10.789 0.000 -0.179) 10.791 4.279 ( -3.078 0.000 0.029) 3.078 4.287 ( -3.735 0.000 -0.207) 3.740 5.447 ( -10.660 0.000 0.478) 10.671 5.475 ( -11.749 0.000 -0.287) 11.752 7.282 ( 2.173 -0.000 0.137) 2.178 7.290 ( 1.622 -0.000 -0.106) 1.626 7.383 ( 5.522 -0.000 0.257) 5.528 7.399 ( 5.389 -0.000 -0.103) 5.390 7.879 ( 1.683 -0.000 0.082) 1.685 7.892 ( 1.837 0.000 -0.491) 1.902 7.929 ( 0.525 -0.000 1.042) 1.167 7.983 ( -0.681 0.000 -0.717) 0.989 8.512 ( 5.256 -0.000 0.068) 5.257 8.524 ( 4.867 -0.000 -0.388) 4.883 8.603 ( 7.824 -0.000 1.738) 8.015 8.657 ( 8.336 -0.000 -0.437) 8.347 8.809 ( 0.448 -0.000 4.713) 4.734 8.863 ( 2.649 -0.000 0.256) 2.661 8.882 ( 2.171 -0.000 -0.348) 2.199 9.059 ( -2.465 0.000 -3.060) 3.929 9.190 ( 0.003 -0.000 0.484) 0.484 9.220 ( -0.611 0.000 -0.374) 0.716 9.266 ( 0.453 -0.000 0.560) 0.720 9.313 ( 0.568 0.000 -1.174) 1.305 9.944 ( 3.871 -0.000 1.020) 4.003 10.008 ( 2.903 0.000 -0.775) 3.005 10.734 ( -4.255 -0.000 0.907) 4.351 10.813 ( -2.934 0.000 -1.503) 3.297 ======================= Grid point 141 (58/171) ======================= q-point: ( 0.40 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.490 ( 0.000 10.552 11.014) 15.253 0.492 ( 0.000 6.337 15.200) 16.468 0.795 ( 0.000 14.756 2.179) 14.916 0.863 ( 0.000 15.628 2.098) 15.768 0.892 ( 0.000 15.363 -8.407) 17.513 1.199 ( -0.000 -0.245 -7.879) 7.883 2.135 ( 0.000 0.782 1.232) 1.460 2.197 ( -0.000 0.330 -2.826) 2.845 2.251 ( 0.000 1.780 3.636) 4.049 2.366 ( 0.000 1.441 0.263) 1.464 2.507 ( -0.000 4.711 -4.736) 6.680 2.556 ( -0.000 -1.843 -2.207) 2.875 2.619 ( 0.000 2.183 0.069) 2.185 2.630 ( 0.000 2.936 -0.713) 3.021 2.880 ( -0.000 -8.306 0.033) 8.306 2.916 ( -0.000 -5.411 -2.390) 5.915 3.085 ( 0.000 2.264 2.520) 3.387 3.203 ( -0.000 -0.820 -2.158) 2.309 3.474 ( -0.000 -3.603 1.498) 3.902 3.526 ( -0.000 -5.789 -0.412) 5.803 3.631 ( -0.000 -6.675 3.207) 7.406 3.636 ( 0.000 -6.085 4.297) 7.449 3.751 ( -0.000 -3.935 -2.515) 4.670 3.795 ( -0.000 -3.237 -3.249) 4.586 4.278 ( -0.000 -6.060 0.312) 6.068 4.291 ( -0.000 -5.979 -0.357) 5.990 4.312 ( -0.000 -2.337 0.165) 2.343 4.320 ( -0.000 -2.350 -0.279) 2.367 5.567 ( -0.000 -8.383 0.832) 8.424 5.602 ( -0.000 -8.262 -1.065) 8.330 7.288 ( 0.000 3.898 0.522) 3.932 7.293 ( 0.000 1.336 0.325) 1.375 7.305 ( 0.000 1.283 -0.310) 1.320 7.306 ( 0.000 4.182 -0.454) 4.207 7.851 ( 0.000 0.188 0.072) 0.201 7.860 ( -0.000 0.556 -0.496) 0.745 7.931 ( 0.000 0.593 1.591) 1.698 7.984 ( -0.000 0.621 -1.411) 1.541 8.478 ( 0.000 3.584 0.461) 3.613 8.485 ( 0.000 6.350 -0.163) 6.352 8.512 ( 0.000 5.293 0.336) 5.303 8.523 ( 0.000 3.140 -0.221) 3.148 8.819 ( 0.000 0.881 0.401) 0.968 8.839 ( -0.000 0.128 -0.460) 0.478 8.916 ( 0.000 -5.225 7.536) 9.170 9.081 ( -0.000 -2.284 -3.156) 3.896 9.171 ( 0.000 0.047 1.230) 1.231 9.227 ( -0.000 -0.160 -1.833) 1.840 9.251 ( 0.000 1.789 0.746) 1.939 9.294 ( -0.000 2.953 -2.145) 3.650 9.904 ( 0.000 1.746 1.651) 2.403 9.965 ( -0.000 1.906 -1.650) 2.521 10.791 ( -0.000 -2.623 0.879) 2.766 10.835 ( -0.000 -1.930 -1.593) 2.502 ======================= Grid point 142 (59/171) ======================= q-point: ( 0.50 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.565 ( 1.651 7.893 11.017) 13.653 0.657 ( -2.152 10.004 7.701) 12.806 0.878 ( -1.263 6.100 -7.467) 9.724 0.932 ( 0.615 4.461 -9.403) 10.426 1.269 ( -16.387 23.493 4.835) 29.049 1.357 ( -12.618 17.007 -1.023) 21.202 2.138 ( 0.930 0.546 1.183) 1.601 2.198 ( -0.742 0.164 -2.027) 2.165 2.279 ( 0.902 1.945 3.862) 4.417 2.367 ( 1.849 1.957 -1.568) 3.115 2.480 ( -0.370 -1.725 0.182) 1.774 2.607 ( -4.689 -1.387 -1.517) 5.120 2.657 ( -1.470 1.836 0.503) 2.405 2.694 ( -3.605 4.015 -2.283) 5.859 2.758 ( 2.883 -4.502 -1.876) 5.666 2.901 ( -3.423 -6.165 -1.927) 7.310 3.102 ( 1.971 2.279 1.625) 3.423 3.166 ( 2.770 -0.487 0.449) 2.848 3.372 ( 5.338 -9.102 -0.504) 10.564 3.402 ( 6.950 -11.769 0.410) 13.674 3.532 ( 3.637 -4.461 2.184) 6.156 3.589 ( 2.972 -3.661 4.374) 6.432 3.683 ( 1.720 -4.183 -2.373) 5.107 3.735 ( 1.480 -3.035 -3.154) 4.620 4.148 ( 6.134 -9.758 0.221) 11.527 4.160 ( 6.032 -9.792 -0.248) 11.504 4.284 ( 1.255 -2.575 0.013) 2.865 4.288 ( 1.450 -2.902 -0.219) 3.252 5.428 ( 5.592 -10.830 0.392) 12.195 5.469 ( 4.435 -10.177 -0.467) 11.111 7.324 ( -1.037 2.997 0.272) 3.183 7.336 ( -1.456 2.725 -0.289) 3.103 7.349 ( -2.556 3.693 0.533) 4.523 7.363 ( -2.168 4.306 -0.390) 4.836 7.852 ( 0.004 -0.165 0.087) 0.186 7.871 ( -0.645 0.123 -0.262) 0.707 7.951 ( -0.756 1.003 1.338) 1.835 7.988 ( -0.400 0.849 -1.351) 1.645 8.523 ( -1.268 4.957 0.292) 5.125 8.554 ( -1.298 4.380 -0.078) 4.568 8.606 ( -4.880 7.923 0.046) 9.306 8.636 ( -5.526 6.778 0.111) 8.746 8.842 ( -1.415 0.968 0.313) 1.743 8.847 ( -0.828 -0.006 0.737) 1.108 8.905 ( 0.725 0.165 4.968) 5.024 9.032 ( 1.427 -1.194 -4.535) 4.902 9.181 ( -0.369 -0.311 1.043) 1.149 9.216 ( 0.222 -0.227 -1.266) 1.305 9.276 ( -0.584 0.944 1.136) 1.588 9.307 ( -0.113 0.898 -1.284) 1.571 9.948 ( -1.859 2.594 1.753) 3.641 9.994 ( -1.712 2.810 -1.663) 3.687 10.750 ( 1.925 -3.239 1.402) 4.020 10.794 ( 1.522 -2.612 -1.935) 3.590 ======================= Grid point 143 (60/171) ======================= q-point: ( 0.60 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.690 ( -4.660 7.033 0.677) 8.463 0.778 ( -2.730 10.347 -0.368) 10.708 0.965 ( -7.972 8.212 1.155) 11.503 1.049 ( -4.236 11.583 -2.713) 12.629 1.784 ( -18.711 17.318 0.555) 25.502 1.790 ( -19.679 17.475 0.502) 26.323 2.129 ( 1.317 0.699 0.837) 1.710 2.201 ( -0.267 -0.147 -1.059) 1.102 2.281 ( 2.411 1.175 2.528) 3.685 2.328 ( 3.592 1.593 -1.992) 4.406 2.492 ( -3.337 -3.790 2.107) 5.471 2.597 ( 1.793 -5.401 -0.575) 5.720 2.692 ( -5.995 -3.135 -1.294) 6.888 2.780 ( -3.491 6.545 -1.610) 7.590 2.803 ( -3.647 3.717 3.273) 6.150 2.885 ( -2.322 -4.051 -3.679) 5.945 3.046 ( 12.519 -12.513 0.249) 17.702 3.059 ( 6.197 1.003 0.029) 6.277 3.145 ( 7.128 -9.251 0.695) 11.700 3.181 ( 4.421 -3.157 0.591) 5.465 3.452 ( 3.184 -3.204 2.058) 4.963 3.509 ( 4.569 -1.423 -0.163) 4.788 3.604 ( 2.522 -4.193 -0.435) 4.913 3.677 ( 1.236 -2.318 -1.554) 3.052 3.912 ( 8.597 -13.794 0.287) 16.256 3.922 ( 8.783 -13.961 -0.277) 16.496 4.202 ( 6.712 -1.782 0.155) 6.946 4.206 ( 6.367 -1.445 -0.304) 6.536 5.216 ( 6.427 -11.288 -0.137) 12.990 5.281 ( 5.830 -10.468 0.135) 11.983 7.373 ( -0.915 3.653 0.020) 3.766 7.390 ( -1.263 3.574 -0.084) 3.791 7.445 ( -4.675 3.230 0.401) 5.696 7.454 ( -4.194 3.667 -0.269) 5.577 7.849 ( -0.181 -0.951 0.241) 0.998 7.868 ( 0.292 -1.392 -0.274) 1.448 7.984 ( -1.121 1.694 0.810) 2.187 8.003 ( -0.706 1.203 -0.857) 1.637 8.606 ( -2.502 5.377 0.039) 5.931 8.631 ( -2.393 4.999 -0.003) 5.542 8.772 ( -5.922 6.529 0.298) 8.820 8.801 ( -6.013 5.501 0.326) 8.156 8.871 ( -1.829 0.659 0.521) 2.013 8.889 ( -3.247 1.535 0.255) 3.601 8.928 ( -0.286 1.607 3.020) 3.433 8.991 ( 0.807 0.504 -4.192) 4.298 9.183 ( -0.006 -0.541 0.498) 0.735 9.206 ( 0.397 -0.081 -0.536) 0.672 9.288 ( 0.133 -0.257 1.072) 1.111 9.304 ( 0.359 -0.335 -0.829) 0.964 10.022 ( -3.014 3.176 1.086) 4.511 10.062 ( -3.367 3.733 -0.998) 5.125 10.683 ( 3.077 -3.550 1.921) 5.076 10.722 ( 2.760 -3.215 -2.103) 4.730 ======================= Grid point 144 (61/171) ======================= q-point: ( 0.70 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( -14.705 10.634 -0.963) 18.173 0.978 ( -6.961 10.773 0.153) 12.827 1.217 ( -2.708 11.732 -0.389) 12.047 1.259 ( -14.510 12.169 0.836) 18.956 2.099 ( 0.981 0.592 0.150) 1.156 2.191 ( -5.117 1.312 -0.636) 5.320 2.196 ( -6.334 6.037 -0.201) 8.752 2.205 ( -0.183 4.100 0.413) 4.125 2.281 ( 0.527 0.726 -0.249) 0.931 2.284 ( -9.713 4.697 0.020) 10.789 2.515 ( 2.281 -3.899 -0.049) 4.517 2.564 ( -8.792 -2.171 1.389) 9.162 2.662 ( 9.999 -11.034 -0.146) 14.892 2.731 ( 10.736 -10.111 0.284) 14.751 2.762 ( -4.645 -4.803 -0.193) 6.684 2.856 ( 0.927 -1.516 0.088) 1.779 2.944 ( -1.143 1.353 0.960) 2.015 2.997 ( -6.229 8.475 -1.822) 10.675 3.074 ( -0.333 5.393 -0.097) 5.404 3.150 ( 1.113 2.117 0.623) 2.472 3.383 ( 2.863 -2.986 2.927) 5.068 3.414 ( 4.480 -2.323 -3.178) 5.964 3.509 ( 4.080 -5.048 0.339) 6.500 3.615 ( 9.184 -17.191 0.009) 19.490 3.641 ( 1.962 -3.320 0.235) 3.864 3.648 ( 5.948 -10.499 -0.589) 12.081 4.024 ( 14.381 0.423 0.842) 14.412 4.031 ( 14.002 0.451 -0.877) 14.037 5.036 ( 2.127 -10.634 -0.145) 10.846 5.105 ( 3.138 -10.227 0.120) 10.699 7.418 ( -0.382 3.283 -0.022) 3.305 7.436 ( -0.440 2.969 -0.018) 3.002 7.555 ( -4.076 3.187 0.097) 5.175 7.560 ( -5.299 2.694 -0.027) 5.944 7.836 ( 0.947 -2.290 0.079) 2.479 7.844 ( -0.449 -1.660 -0.099) 1.722 8.017 ( -0.405 1.187 0.565) 1.376 8.022 ( -0.388 1.507 -0.584) 1.663 8.694 ( -1.888 4.978 -0.052) 5.325 8.715 ( -1.744 4.923 0.043) 5.223 8.866 ( -1.278 0.625 0.393) 1.476 8.891 ( -2.306 0.644 0.367) 2.423 8.942 ( -1.905 2.406 0.866) 3.189 8.964 ( -1.076 1.967 -0.916) 2.422 8.983 ( -3.469 2.679 -0.417) 4.403 9.021 ( -6.015 4.095 -0.349) 7.285 9.176 ( 0.143 -0.694 0.066) 0.712 9.197 ( 0.566 0.131 -0.069) 0.585 9.272 ( 1.544 -1.386 0.573) 2.153 9.282 ( 0.974 -1.363 -0.425) 1.728 10.111 ( -3.563 3.435 0.148) 4.952 10.162 ( -4.096 4.176 -0.142) 5.851 10.599 ( 3.700 -3.894 1.361) 5.541 10.631 ( 3.322 -3.420 -1.380) 4.964 ======================= Grid point 145 (62/171) ======================= q-point: ( 0.80 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( -3.777 9.521 -0.000) 10.243 1.278 ( -4.988 10.649 -0.000) 11.759 1.350 ( -8.155 8.833 -0.000) 12.022 1.628 ( -13.626 10.943 -0.000) 17.476 2.033 ( 8.246 -6.735 0.000) 10.646 2.105 ( 5.225 0.606 0.000) 5.260 2.138 ( 3.320 -3.118 0.000) 4.555 2.231 ( 0.722 1.087 -0.000) 1.305 2.263 ( 4.741 -1.183 0.000) 4.887 2.359 ( 3.056 -2.261 0.000) 3.802 2.442 ( 5.040 -5.686 0.000) 7.598 2.445 ( 0.177 -1.019 0.000) 1.034 2.738 ( -7.161 0.919 -0.000) 7.220 2.786 ( -9.059 -1.100 -0.000) 9.126 2.822 ( -3.859 -4.066 0.000) 5.606 2.863 ( -16.597 -4.499 -0.000) 17.196 2.979 ( -3.513 -1.044 -0.000) 3.665 3.102 ( -1.621 -0.421 -0.000) 1.675 3.136 ( 3.271 -4.280 0.000) 5.387 3.264 ( -2.868 4.771 -0.000) 5.567 3.276 ( 7.272 -10.587 0.000) 12.844 3.293 ( -0.821 0.893 -0.000) 1.213 3.352 ( -0.096 -3.964 0.000) 3.965 3.432 ( 0.653 -0.093 0.000) 0.659 3.522 ( 2.823 3.079 -0.000) 4.177 3.634 ( 0.810 0.606 -0.000) 1.012 3.758 ( 18.766 6.402 0.000) 19.827 3.780 ( 15.705 1.342 0.000) 15.762 4.951 ( -3.182 -9.360 0.000) 9.886 5.000 ( -1.559 -9.204 0.000) 9.335 7.443 ( 0.629 2.106 -0.000) 2.198 7.455 ( 0.795 1.481 -0.000) 1.681 7.630 ( -1.536 2.121 -0.000) 2.619 7.657 ( -2.999 1.458 -0.000) 3.335 7.801 ( 0.019 -1.667 0.000) 1.667 7.842 ( -1.273 -1.382 0.000) 1.879 8.022 ( 0.633 0.422 -0.000) 0.761 8.034 ( 0.471 0.844 -0.000) 0.966 8.752 ( 0.200 3.866 -0.000) 3.871 8.770 ( 0.469 4.043 -0.000) 4.070 8.874 ( 0.116 -0.665 0.000) 0.675 8.925 ( -1.504 -0.014 -0.000) 1.504 8.967 ( 0.214 1.195 -0.000) 1.214 8.974 ( 0.099 1.056 -0.000) 1.061 9.093 ( -4.419 2.508 -0.000) 5.081 9.149 ( -4.749 2.167 -0.000) 5.220 9.170 ( -0.252 -0.535 0.000) 0.591 9.190 ( 0.336 0.491 -0.000) 0.595 9.216 ( 2.941 -2.497 0.000) 3.858 9.241 ( 2.032 -1.950 0.000) 2.817 10.197 ( -2.708 2.924 -0.000) 3.985 10.248 ( -1.233 2.864 -0.000) 3.118 10.507 ( 2.826 -3.579 0.000) 4.560 10.559 ( 0.921 -2.228 0.000) 2.411 ======================= Grid point 150 (63/171) ======================= q-point: ( 0.20 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( 12.313 0.715 3.217) 12.747 0.804 ( 20.585 -1.097 -0.200) 20.615 0.986 ( 7.848 -0.821 -2.457) 8.265 1.046 ( 10.831 -0.338 -4.090) 11.583 1.778 ( 28.540 -7.652 2.197) 29.629 1.797 ( 23.183 -6.229 1.239) 24.037 2.130 ( 0.232 1.520 -0.013) 1.538 2.189 ( -1.173 -0.572 -1.146) 1.737 2.216 ( -0.772 -0.662 1.801) 2.068 2.305 ( -0.973 -0.019 0.263) 1.008 2.572 ( 0.307 3.609 1.967) 4.122 2.659 ( -3.683 0.081 3.798) 5.291 2.724 ( 0.857 -2.513 -1.651) 3.127 2.778 ( 4.782 -1.047 0.694) 4.944 2.852 ( 0.831 0.097 -2.417) 2.558 2.917 ( 1.515 -1.240 -4.286) 4.712 3.015 ( -9.830 3.809 1.143) 10.604 3.068 ( -4.377 2.195 -0.294) 4.906 3.122 ( -10.195 3.273 3.195) 11.174 3.154 ( -12.378 1.117 2.343) 12.647 3.428 ( -6.487 0.050 -3.122) 7.199 3.477 ( -3.897 0.490 -3.851) 5.500 3.607 ( -4.751 1.837 1.684) 5.365 3.645 ( -4.139 -1.704 1.683) 4.782 3.926 ( -15.427 0.658 0.535) 15.451 3.942 ( -15.593 0.597 -0.121) 15.605 4.191 ( -5.347 5.202 0.037) 7.460 4.199 ( -4.361 4.702 -0.235) 6.417 5.245 ( -12.155 1.515 0.017) 12.249 5.264 ( -12.873 -0.016 0.398) 12.879 7.329 ( 2.768 -0.859 -0.064) 2.899 7.334 ( 2.725 -1.356 0.110) 3.046 7.483 ( 5.811 -0.606 0.206) 5.846 7.494 ( 5.660 -0.627 -0.182) 5.698 7.901 ( 1.522 1.770 0.307) 2.355 7.920 ( 1.375 1.437 -0.237) 2.003 7.942 ( 0.402 -1.681 0.400) 1.774 7.969 ( -1.017 -1.529 -0.397) 1.878 8.609 ( 6.251 0.181 -0.136) 6.255 8.618 ( 5.837 -0.497 0.012) 5.858 8.749 ( 6.645 -1.902 2.164) 7.243 8.808 ( 8.106 -2.155 -0.502) 8.402 8.856 ( 3.445 -1.059 2.376) 4.317 8.912 ( 2.934 -0.008 0.166) 2.939 8.922 ( 2.572 -0.284 0.103) 2.590 9.013 ( -1.208 -0.157 -3.482) 3.689 9.189 ( -0.112 0.208 0.329) 0.405 9.205 ( -0.833 0.165 -0.304) 0.902 9.271 ( -0.488 -0.098 1.179) 1.280 9.312 ( -0.382 0.038 -0.682) 0.782 10.026 ( 5.221 -0.661 0.927) 5.343 10.069 ( 4.234 -0.908 -0.591) 4.370 10.657 ( -4.971 0.830 1.687) 5.315 10.744 ( -4.188 0.744 -1.767) 4.606 ======================= Grid point 151 (64/171) ======================= q-point: ( 0.30 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.518 ( 13.024 -0.000 7.513) 15.035 0.603 ( 12.003 -0.000 6.186) 13.504 0.854 ( 9.182 0.000 -5.866) 10.896 0.915 ( -1.095 0.000 -11.960) 12.010 1.274 ( 28.832 -0.000 7.225) 29.724 1.402 ( 20.019 -0.000 0.468) 20.024 2.134 ( 0.288 -0.000 0.723) 0.778 2.188 ( -0.459 0.000 -2.512) 2.554 2.234 ( -0.173 -0.000 3.035) 3.040 2.317 ( -0.289 0.000 -0.500) 0.578 2.565 ( 3.574 -0.000 3.308) 4.870 2.650 ( 2.359 0.000 -0.633) 2.443 2.677 ( 5.485 -0.000 0.406) 5.500 2.724 ( 1.683 -0.000 -0.230) 1.699 2.885 ( -2.590 0.000 -4.587) 5.268 2.887 ( -4.032 0.000 -2.717) 4.862 3.081 ( 0.716 -0.000 1.586) 1.741 3.120 ( -3.973 0.000 -0.871) 4.067 3.362 ( -9.320 -0.000 3.468) 9.944 3.418 ( -13.389 -0.000 3.589) 13.861 3.529 ( -4.840 0.000 -5.397) 7.250 3.540 ( -8.360 0.000 -2.666) 8.775 3.701 ( -3.984 -0.000 1.559) 4.278 3.714 ( -4.996 0.000 0.318) 5.007 4.152 ( -10.918 0.000 0.396) 10.926 4.164 ( -10.783 0.000 -0.271) 10.787 4.279 ( -3.191 0.000 0.067) 3.191 4.285 ( -3.670 0.000 -0.245) 3.678 5.451 ( -10.729 0.000 0.638) 10.748 5.472 ( -11.531 0.000 -0.465) 11.541 7.283 ( 2.105 -0.000 0.182) 2.112 7.289 ( 1.704 -0.000 -0.149) 1.711 7.386 ( 5.497 -0.000 0.350) 5.508 7.397 ( 5.382 -0.000 -0.229) 5.387 7.880 ( 1.759 -0.000 0.126) 1.763 7.888 ( 1.893 0.000 -0.428) 1.941 7.938 ( 0.314 -0.000 1.202) 1.242 7.976 ( -0.538 0.000 -0.981) 1.118 8.513 ( 5.223 -0.000 0.123) 5.224 8.521 ( 4.965 -0.000 -0.381) 4.980 8.617 ( 7.892 -0.000 1.616) 8.056 8.653 ( 8.298 -0.000 -0.660) 8.324 8.851 ( -0.301 -0.000 5.237) 5.246 8.866 ( 1.909 -0.000 0.989) 2.150 8.878 ( 2.354 -0.000 -0.451) 2.396 9.030 ( -2.679 0.000 -4.192) 4.975 9.194 ( -0.095 -0.000 0.651) 0.658 9.216 ( -0.548 0.000 -0.532) 0.764 9.271 ( 0.836 -0.000 0.679) 1.077 9.303 ( 1.010 0.000 -1.314) 1.658 9.953 ( 3.770 -0.000 1.379) 4.014 10.000 ( 3.059 0.000 -1.150) 3.267 10.742 ( -3.993 -0.000 1.315) 4.204 10.800 ( -3.003 0.000 -1.874) 3.540 ======================= Grid point 153 (65/171) ======================= q-point: ( 0.50 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.577 ( 0.000 9.019 10.775) 14.052 0.605 ( 0.000 8.665 12.509) 15.217 0.760 ( -0.000 5.805 -7.092) 9.165 0.818 ( -0.000 12.779 -9.985) 16.217 0.934 ( 0.000 17.916 12.111) 21.626 1.125 ( -0.000 4.938 -10.560) 11.657 2.146 ( 0.000 0.734 1.549) 1.714 2.177 ( -0.000 0.571 -2.355) 2.423 2.283 ( 0.000 2.318 4.371) 4.947 2.352 ( -0.000 2.996 -3.403) 4.534 2.494 ( 0.000 1.023 0.939) 1.389 2.535 ( -0.000 -1.484 -2.906) 3.263 2.620 ( 0.000 2.312 0.146) 2.317 2.625 ( 0.000 2.748 -0.472) 2.788 2.882 ( -0.000 -8.115 0.465) 8.128 2.899 ( -0.000 -6.479 -1.796) 6.723 3.109 ( 0.000 2.641 3.460) 4.352 3.175 ( -0.000 1.394 -4.360) 4.578 3.488 ( -0.000 -4.579 1.849) 4.938 3.517 ( -0.000 -6.051 -1.574) 6.252 3.657 ( -0.000 -5.529 3.277) 6.427 3.671 ( 0.000 -4.280 3.732) 5.678 3.732 ( -0.000 -5.193 -1.722) 5.471 3.767 ( -0.000 -3.940 -3.876) 5.527 4.281 ( -0.000 -6.025 0.376) 6.036 4.288 ( -0.000 -5.974 -0.401) 5.987 4.313 ( -0.000 -2.402 0.210) 2.411 4.317 ( -0.000 -2.405 -0.285) 2.422 5.574 ( -0.000 -8.329 1.056) 8.396 5.593 ( -0.000 -8.266 -1.196) 8.352 7.292 ( 0.000 3.983 0.609) 4.029 7.296 ( 0.000 1.354 0.374) 1.404 7.302 ( 0.000 1.346 -0.371) 1.396 7.302 ( 0.000 4.074 -0.575) 4.114 7.852 ( 0.000 0.302 0.147) 0.336 7.856 ( -0.000 0.505 -0.377) 0.630 7.944 ( 0.000 0.552 1.727) 1.813 7.972 ( -0.000 0.572 -1.643) 1.740 8.481 ( 0.000 4.515 0.221) 4.520 8.483 ( 0.000 5.880 -0.166) 5.882 8.515 ( 0.000 4.559 0.414) 4.577 8.521 ( 0.000 3.509 -0.302) 3.522 8.822 ( 0.000 0.841 0.580) 1.022 8.834 ( -0.000 0.578 -0.766) 0.960 8.971 ( 0.000 -5.150 6.280) 8.121 9.052 ( -0.000 -3.206 -4.075) 5.185 9.183 ( 0.000 -0.000 1.597) 1.597 9.212 ( -0.000 -0.098 -1.936) 1.938 9.257 ( 0.000 2.376 0.982) 2.571 9.279 ( 0.000 3.143 -1.734) 3.590 9.918 ( 0.000 1.799 1.932) 2.640 9.950 ( -0.000 1.886 -1.929) 2.698 10.799 ( -0.000 -2.467 1.200) 2.743 10.822 ( -0.000 -2.119 -1.614) 2.664 ======================= Grid point 154 (66/171) ======================= q-point: ( 0.60 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.650 ( 3.179 7.424 9.303) 12.320 0.700 ( 1.978 5.795 1.285) 6.257 0.825 ( -2.118 4.957 -3.888) 6.647 0.867 ( -2.887 9.319 -5.986) 11.445 1.305 ( -15.202 21.071 3.753) 26.252 1.342 ( -13.810 18.662 -2.358) 23.336 2.146 ( 1.048 0.460 0.705) 1.344 2.185 ( -0.841 0.548 -1.015) 1.428 2.311 ( 1.561 2.117 4.028) 4.811 2.346 ( 2.108 2.620 -3.460) 4.825 2.485 ( -1.872 -3.094 0.691) 3.682 2.596 ( -5.807 -1.050 -0.927) 5.974 2.663 ( -1.605 1.674 0.824) 2.461 2.676 ( -2.478 3.738 -1.803) 4.833 2.752 ( 2.986 -3.426 -0.152) 4.547 2.890 ( -3.551 -7.023 -0.757) 7.906 3.112 ( 3.599 2.649 0.837) 4.546 3.165 ( 0.963 0.119 -0.305) 1.017 3.369 ( 5.464 -9.811 -0.205) 11.231 3.404 ( 6.383 -11.838 0.129) 13.450 3.546 ( 4.990 -2.995 1.115) 5.926 3.618 ( 4.928 -3.494 2.175) 6.420 3.670 ( 0.464 -4.690 -0.600) 4.751 3.712 ( 0.430 -3.573 -2.210) 4.223 4.150 ( 6.175 -9.722 0.118) 11.518 4.159 ( 5.998 -9.818 -0.128) 11.506 4.284 ( 1.294 -2.682 0.029) 2.978 4.287 ( 1.381 -2.884 -0.107) 3.199 5.430 ( 5.886 -10.890 0.179) 12.380 5.466 ( 4.113 -10.088 -0.207) 10.896 7.326 ( -0.945 2.929 0.155) 3.081 7.334 ( -1.521 2.787 -0.161) 3.179 7.353 ( -2.438 3.760 0.411) 4.500 7.360 ( -2.318 4.251 -0.359) 4.856 7.852 ( 0.023 -0.065 0.038) 0.079 7.870 ( -0.705 0.072 -0.101) 0.716 7.961 ( -0.455 0.945 1.144) 1.552 7.977 ( -0.687 0.848 -1.152) 1.587 8.524 ( -1.114 5.148 0.091) 5.268 8.554 ( -1.386 4.197 -0.018) 4.420 8.606 ( -4.996 7.828 0.005) 9.287 8.637 ( -5.520 6.863 0.045) 8.808 8.844 ( -1.197 0.755 0.248) 1.437 8.848 ( -1.292 0.635 -0.112) 1.444 8.949 ( 1.334 -0.829 5.663) 5.877 8.993 ( 1.456 -1.152 -5.262) 5.580 9.189 ( -0.083 -0.350 0.845) 0.919 9.207 ( -0.171 -0.217 -0.931) 0.971 9.286 ( -0.460 1.094 1.176) 1.671 9.297 ( -0.309 1.092 -1.235) 1.677 9.962 ( -1.641 2.578 1.615) 3.457 9.981 ( -1.950 2.844 -1.581) 3.793 10.762 ( 1.837 -3.038 1.583) 3.887 10.779 ( 1.578 -2.757 -1.782) 3.642 ======================= Grid point 155 (67/171) ======================= q-point: ( 0.70 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.693 ( -2.495 5.518 -0.000) 6.056 0.776 ( -3.871 10.791 -0.000) 11.464 0.971 ( -8.288 8.817 -0.000) 12.101 1.037 ( -4.687 12.134 -0.000) 13.008 1.786 ( -18.339 16.826 -0.000) 24.889 1.792 ( -19.819 17.515 -0.000) 26.449 2.132 ( 1.383 0.714 -0.000) 1.557 2.197 ( -0.307 0.078 -0.000) 0.316 2.295 ( 3.197 1.024 0.000) 3.357 2.316 ( 2.888 1.617 -0.000) 3.310 2.502 ( -3.975 -4.103 0.000) 5.713 2.593 ( 2.441 -5.373 0.000) 5.902 2.687 ( -6.353 -2.923 -0.000) 6.993 2.773 ( -3.756 6.730 -0.000) 7.707 2.821 ( -4.464 7.115 -0.000) 8.399 2.865 ( -1.605 -7.421 0.000) 7.592 3.047 ( 12.972 -12.952 0.000) 18.331 3.059 ( 6.031 1.445 0.000) 6.202 3.148 ( 7.657 -10.627 0.000) 13.099 3.183 ( 3.699 -1.831 0.000) 4.127 3.462 ( 3.139 -2.637 0.000) 4.100 3.506 ( 5.451 -1.614 0.000) 5.685 3.604 ( 2.449 -4.219 0.000) 4.879 3.670 ( 0.727 -2.506 0.000) 2.609 3.914 ( 8.528 -13.696 0.000) 16.135 3.920 ( 8.839 -14.047 0.000) 16.597 4.203 ( 6.552 -1.734 0.000) 6.778 4.204 ( 6.491 -1.533 0.000) 6.670 5.215 ( 6.487 -11.299 0.000) 13.028 5.282 ( 5.768 -10.463 0.000) 11.948 7.374 ( -0.876 3.658 -0.000) 3.761 7.389 ( -1.300 3.558 -0.000) 3.788 7.447 ( -4.700 3.168 -0.000) 5.668 7.453 ( -4.163 3.735 -0.000) 5.593 7.850 ( -0.215 -0.876 0.000) 0.902 7.867 ( 0.318 -1.470 0.000) 1.504 7.989 ( -0.954 1.872 -0.000) 2.101 7.999 ( -0.882 1.020 -0.000) 1.348 8.607 ( -2.446 5.402 -0.000) 5.930 8.631 ( -2.433 4.967 -0.000) 5.531 8.773 ( -6.077 6.533 -0.000) 8.922 8.803 ( -6.077 5.639 -0.000) 8.290 8.873 ( -1.791 0.657 -0.000) 1.908 8.890 ( -3.191 1.321 -0.000) 3.453 8.953 ( 0.315 0.931 -0.000) 0.983 8.962 ( 0.414 1.158 -0.000) 1.229 9.185 ( 0.103 -0.619 0.000) 0.628 9.203 ( 0.265 -0.012 0.000) 0.265 9.296 ( 0.022 -0.329 0.000) 0.330 9.297 ( 0.453 -0.221 0.000) 0.504 10.027 ( -2.744 3.103 -0.000) 4.143 10.057 ( -3.632 3.802 -0.000) 5.258 10.695 ( 3.085 -3.571 0.000) 4.719 10.710 ( 2.718 -3.161 0.000) 4.169 ======================= Grid point 161 (68/171) ======================= q-point: ( 0.20 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( 17.377 0.559 3.622) 17.759 1.108 ( 16.379 1.820 -1.720) 16.569 1.192 ( 10.625 0.336 -0.078) 10.631 1.270 ( 18.949 -5.458 -1.846) 19.805 2.110 ( -0.119 2.440 0.113) 2.446 2.157 ( -1.627 0.344 0.548) 1.751 2.175 ( 7.702 -3.317 -0.859) 8.430 2.189 ( 2.566 -1.706 -0.989) 3.236 2.298 ( 13.699 -7.755 -0.095) 15.742 2.359 ( 11.811 -5.682 0.261) 13.110 2.519 ( -5.457 3.072 1.297) 6.395 2.562 ( -10.018 2.673 1.620) 10.494 2.663 ( -7.793 -0.386 4.520) 9.017 2.695 ( -13.632 3.523 0.107) 14.080 2.795 ( -6.516 -0.508 -1.617) 6.733 2.834 ( -3.577 -2.571 -0.847) 4.486 2.971 ( 2.996 1.031 2.000) 3.747 3.037 ( 10.093 -1.468 -0.426) 10.208 3.086 ( 5.778 1.431 0.116) 5.954 3.109 ( 2.058 0.644 1.730) 2.765 3.334 ( -4.216 -0.903 -1.946) 4.731 3.403 ( -3.254 -0.520 -3.329) 4.684 3.499 ( -8.527 1.614 0.280) 8.683 3.590 ( -9.278 -1.976 -0.059) 9.487 3.668 ( -12.381 0.666 1.530) 12.493 3.673 ( -13.006 0.423 1.150) 13.063 4.001 ( -7.191 13.490 0.704) 15.303 4.032 ( -6.119 12.208 -0.646) 13.671 5.060 ( -9.897 -2.228 -0.064) 10.145 5.080 ( -10.787 -3.052 0.482) 11.221 7.384 ( 2.847 -0.789 -0.130) 2.957 7.395 ( 2.861 -1.210 0.161) 3.111 7.574 ( 4.192 -0.670 -0.218) 4.251 7.590 ( 4.809 -1.298 0.176) 4.984 7.882 ( -1.844 2.111 -0.228) 2.813 7.902 ( -0.638 1.648 0.288) 1.791 7.977 ( 1.058 -1.578 0.239) 1.915 7.989 ( 1.439 -1.510 -0.135) 2.090 8.702 ( 5.449 1.001 -0.148) 5.542 8.711 ( 5.217 0.763 0.116) 5.274 8.840 ( 1.955 -1.228 2.539) 3.432 8.914 ( 2.201 -0.661 -0.856) 2.452 8.949 ( 2.339 -0.250 -0.236) 2.364 8.958 ( 2.463 -0.941 -0.278) 2.651 8.982 ( 5.039 -2.066 0.479) 5.467 9.032 ( 4.787 -2.504 -1.313) 5.560 9.185 ( -0.267 0.204 0.046) 0.339 9.188 ( -0.861 0.190 -0.113) 0.889 9.258 ( -1.706 0.335 1.280) 2.159 9.292 ( -1.575 0.464 -0.542) 1.730 10.128 ( 5.719 -0.782 0.329) 5.782 10.157 ( 4.932 -1.524 0.014) 5.163 10.573 ( -4.952 1.084 2.233) 5.539 10.651 ( -4.925 1.197 -1.894) 5.410 ======================= Grid point 162 (69/171) ======================= q-point: ( 0.30 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( 13.365 1.049 0.833) 13.432 0.810 ( 17.575 0.224 2.443) 17.746 0.969 ( 10.910 -2.343 -1.727) 11.291 1.012 ( 11.259 -0.899 -4.304) 12.087 1.794 ( 26.468 -6.901 1.736) 27.408 1.806 ( 23.524 -6.345 0.901) 24.381 2.131 ( -0.001 1.483 0.301) 1.513 2.177 ( -0.585 -1.200 -1.474) 1.989 2.236 ( -1.185 0.394 2.699) 2.974 2.303 ( -0.806 -0.303 -0.860) 1.217 2.591 ( -0.007 3.402 2.655) 4.315 2.688 ( -2.582 -0.475 3.184) 4.127 2.709 ( -0.901 -0.426 -2.229) 2.441 2.786 ( 3.719 -1.113 1.416) 4.132 2.836 ( 3.162 -1.330 -1.473) 3.733 2.881 ( 3.159 -1.661 -4.665) 5.874 3.024 ( -7.557 3.709 1.027) 8.481 3.064 ( -8.286 3.124 -0.750) 8.887 3.147 ( -9.047 2.946 2.724) 9.897 3.174 ( -12.514 1.922 2.448) 12.895 3.407 ( -6.279 -0.675 -1.841) 6.578 3.445 ( -3.925 -0.417 -3.983) 5.607 3.619 ( -4.696 2.243 1.220) 5.345 3.656 ( -3.918 -1.334 1.089) 4.280 3.930 ( -15.247 0.765 0.526) 15.276 3.941 ( -15.455 0.607 -0.191) 15.468 4.191 ( -5.155 5.104 0.086) 7.254 4.197 ( -4.561 4.706 -0.247) 6.558 5.246 ( -12.236 1.775 0.038) 12.364 5.266 ( -12.690 -0.200 0.296) 12.695 7.329 ( 2.746 -0.795 -0.038) 2.859 7.334 ( 2.753 -1.404 0.076) 3.091 7.485 ( 5.712 -0.573 0.247) 5.746 7.493 ( 5.696 -0.672 -0.233) 5.741 7.903 ( 1.710 1.719 0.310) 2.444 7.918 ( 1.266 1.478 -0.249) 1.962 7.946 ( 0.195 -1.550 0.420) 1.618 7.966 ( -0.811 -1.641 -0.421) 1.878 8.608 ( 6.218 0.245 -0.101) 6.224 8.619 ( 5.889 -0.637 0.004) 5.924 8.766 ( 7.276 -1.826 1.888) 7.735 8.803 ( 8.021 -2.357 -0.698) 8.389 8.879 ( 1.931 -0.659 3.321) 3.897 8.913 ( 2.851 0.196 0.226) 2.866 8.922 ( 2.817 -0.483 0.094) 2.860 8.982 ( -0.728 -0.233 -4.116) 4.187 9.192 ( -0.262 0.206 0.413) 0.531 9.203 ( -0.725 0.169 -0.390) 0.841 9.281 ( -0.341 -0.071 1.179) 1.229 9.306 ( -0.263 -0.026 -0.845) 0.885 10.034 ( 5.032 -0.554 1.062) 5.173 10.063 ( 4.470 -0.986 -0.790) 4.646 10.673 ( -4.715 0.829 2.119) 5.235 10.728 ( -4.198 0.742 -2.180) 4.789 ======================= Grid point 163 (70/171) ======================= q-point: ( 0.40 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.589 ( 8.657 -0.000 9.735) 13.027 0.651 ( 9.792 -0.000 5.229) 11.101 0.806 ( 9.784 0.000 -6.019) 11.488 0.821 ( 2.941 0.000 -10.873) 11.264 1.328 ( 26.096 -0.000 6.285) 26.842 1.396 ( 21.326 -0.000 -1.950) 21.415 2.141 ( 0.071 -0.000 1.271) 1.273 2.169 ( -0.273 0.000 -2.197) 2.214 2.259 ( -0.140 -0.000 3.296) 3.299 2.306 ( -0.225 0.000 -2.094) 2.107 2.595 ( 3.066 -0.000 4.067) 5.093 2.642 ( 2.036 0.000 -1.388) 2.464 2.682 ( 6.191 -0.000 1.022) 6.275 2.714 ( 5.645 0.000 -2.173) 6.049 2.859 ( -5.047 0.000 -1.766) 5.347 2.867 ( -4.893 0.000 -2.060) 5.309 3.092 ( 0.153 -0.000 1.346) 1.355 3.112 ( -2.520 0.000 -1.153) 2.771 3.394 ( -9.236 -0.000 4.481) 10.266 3.445 ( -14.793 0.000 2.447) 14.994 3.489 ( -3.782 0.000 -4.126) 5.597 3.516 ( -9.222 0.000 -3.294) 9.793 3.711 ( -3.794 -0.000 0.911) 3.902 3.716 ( -4.208 0.000 0.107) 4.209 4.155 ( -10.852 0.000 0.427) 10.860 4.162 ( -10.785 0.000 -0.352) 10.791 4.280 ( -3.323 0.000 0.123) 3.325 4.283 ( -3.576 0.000 -0.232) 3.583 5.457 ( -10.854 0.000 0.718) 10.878 5.468 ( -11.279 0.000 -0.618) 11.296 7.285 ( 2.015 -0.000 0.203) 2.025 7.288 ( 1.805 -0.000 -0.182) 1.814 7.389 ( 5.466 -0.000 0.403) 5.480 7.395 ( 5.400 -0.000 -0.341) 5.411 7.881 ( 1.836 -0.000 0.180) 1.845 7.885 ( 1.915 -0.000 -0.336) 1.944 7.948 ( 0.084 -0.000 1.267) 1.269 7.968 ( -0.355 0.000 -1.160) 1.213 8.514 ( 5.177 -0.000 0.193) 5.180 8.518 ( 5.047 -0.000 -0.335) 5.058 8.629 ( 8.022 -0.000 1.365) 8.137 8.647 ( 8.235 -0.000 -0.886) 8.282 8.867 ( 2.823 -0.000 0.524) 2.871 8.875 ( 2.545 -0.000 -0.493) 2.593 8.902 ( -2.262 -0.000 6.014) 6.425 8.993 ( -2.803 0.000 -5.084) 5.806 9.200 ( -0.218 -0.000 0.735) 0.767 9.211 ( -0.459 0.000 -0.658) 0.803 9.277 ( 1.163 -0.000 0.807) 1.415 9.293 ( 1.290 0.000 -1.207) 1.767 9.965 ( 3.630 -0.000 1.578) 3.958 9.990 ( 3.254 0.000 -1.443) 3.559 10.754 ( -3.695 -0.000 1.657) 4.050 10.784 ( -3.165 0.000 -1.986) 3.737 ======================= Grid point 165 (71/171) ======================= q-point: (-0.40 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.650 ( 0.000 9.232 -4.944) 10.473 0.650 ( 0.000 9.232 4.944) 10.473 0.742 ( -0.000 8.632 -6.940) 11.076 0.742 ( 0.000 8.632 6.940) 11.076 1.033 ( -0.000 11.162 -12.306) 16.614 1.033 ( 0.000 11.162 12.306) 16.614 2.160 ( -0.000 0.678 -1.887) 2.005 2.160 ( 0.000 0.678 1.887) 2.005 2.319 ( -0.000 2.930 -4.560) 5.421 2.319 ( 0.000 2.930 4.560) 5.421 2.512 ( -0.000 -0.737 -2.723) 2.821 2.512 ( 0.000 -0.737 2.723) 2.821 2.622 ( 0.000 2.509 -0.270) 2.524 2.622 ( 0.000 2.509 0.270) 2.524 2.888 ( -0.000 -7.445 -0.581) 7.468 2.888 ( -0.000 -7.445 0.581) 7.468 3.140 ( -0.000 2.447 -4.236) 4.892 3.140 ( 0.000 2.447 4.236) 4.892 3.503 ( -0.000 -5.461 -1.848) 5.766 3.503 ( -0.000 -5.461 1.848) 5.766 3.679 ( -0.000 -4.102 -1.457) 4.353 3.679 ( 0.000 -4.102 1.457) 4.353 3.737 ( -0.000 -5.205 -3.023) 6.019 3.737 ( 0.000 -5.205 3.023) 6.019 4.284 ( -0.000 -5.993 -0.359) 6.004 4.284 ( -0.000 -5.993 0.359) 6.004 4.315 ( -0.000 -2.425 -0.216) 2.435 4.315 ( -0.000 -2.425 0.216) 2.435 5.583 ( -0.000 -8.288 -1.156) 8.368 5.583 ( -0.000 -8.288 1.156) 8.368 7.297 ( 0.000 3.966 -0.565) 4.006 7.297 ( 0.000 3.966 0.565) 4.006 7.299 ( 0.000 1.422 -0.338) 1.461 7.299 ( 0.000 1.422 0.338) 1.461 7.854 ( 0.000 0.414 -0.215) 0.467 7.854 ( 0.000 0.414 0.215) 0.467 7.958 ( -0.000 0.546 -1.743) 1.827 7.958 ( 0.000 0.546 1.743) 1.827 8.482 ( 0.000 5.280 -0.042) 5.280 8.482 ( 0.000 5.280 0.042) 5.280 8.519 ( 0.000 3.971 -0.196) 3.976 8.519 ( 0.000 3.971 0.196) 3.976 8.828 ( -0.000 0.752 -0.727) 1.046 8.828 ( 0.000 0.752 0.727) 1.046 9.016 ( -0.000 -4.235 -5.071) 6.607 9.016 ( 0.000 -4.235 5.071) 6.607 9.196 ( -0.000 -0.048 -1.831) 1.831 9.196 ( 0.000 -0.048 1.831) 1.831 9.266 ( 0.000 2.878 -1.309) 3.162 9.266 ( 0.000 2.878 1.309) 3.162 9.934 ( -0.000 1.849 -2.024) 2.742 9.934 ( 0.000 1.849 2.024) 2.742 10.810 ( -0.000 -2.298 -1.465) 2.726 10.810 ( 0.000 -2.298 1.465) 2.726 ======================= Grid point 172 (72/171) ======================= q-point: ( 0.20 0.60 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( 9.158 6.225 0.415) 11.081 1.254 ( 6.604 6.246 -0.141) 9.091 1.438 ( 14.537 -2.330 2.465) 14.928 1.624 ( 14.082 -5.485 -2.008) 15.246 2.035 ( -9.649 3.897 0.131) 10.407 2.096 ( -0.820 3.287 -0.136) 3.391 2.169 ( -4.381 2.104 -1.202) 5.007 2.194 ( -0.474 -0.988 -0.139) 1.105 2.239 ( -3.700 2.323 -0.220) 4.375 2.326 ( -10.105 3.971 0.961) 10.900 2.471 ( -2.387 1.565 0.618) 2.921 2.517 ( 0.315 2.441 0.509) 2.514 2.705 ( 0.446 -6.348 2.249) 6.749 2.769 ( 5.514 -7.034 -0.986) 8.992 2.799 ( 3.932 -8.897 -0.776) 9.758 2.875 ( 4.861 -16.478 -0.510) 17.188 2.995 ( -0.663 -2.059 4.091) 4.628 3.104 ( -1.161 -0.225 2.840) 3.076 3.164 ( -7.283 0.283 -3.454) 8.065 3.253 ( 7.199 -0.020 -0.416) 7.211 3.295 ( -17.297 -0.980 -1.283) 17.372 3.333 ( 0.989 -0.961 -0.012) 1.380 3.339 ( 1.873 -1.852 0.514) 2.684 3.374 ( -0.098 -1.447 -1.878) 2.373 3.535 ( 0.304 6.648 0.293) 6.661 3.641 ( 1.158 -0.427 1.260) 1.764 3.730 ( -4.272 19.967 1.166) 20.452 3.798 ( -4.654 14.030 -0.412) 14.788 4.970 ( -6.557 -6.698 0.523) 9.388 4.982 ( -6.577 -6.733 -0.246) 9.416 7.428 ( 2.054 0.280 -0.120) 2.076 7.443 ( 2.060 0.081 0.157) 2.068 7.627 ( 1.827 -0.117 -0.324) 1.859 7.667 ( 2.473 -0.912 0.340) 2.657 7.822 ( -2.695 1.101 -0.325) 2.929 7.869 ( -2.126 0.382 0.244) 2.173 8.006 ( 1.224 -0.329 0.046) 1.268 8.024 ( 1.437 -0.335 0.096) 1.478 8.758 ( 3.219 2.456 0.096) 4.050 8.767 ( 3.138 2.391 -0.090) 3.946 8.876 ( 0.414 -0.636 1.447) 1.634 8.918 ( -0.545 -0.245 -1.298) 1.429 8.963 ( 0.321 0.815 -0.366) 0.950 8.989 ( 1.776 0.262 0.587) 1.889 9.099 ( 4.551 -2.453 -0.105) 5.171 9.143 ( 3.978 -3.390 -0.071) 5.227 9.175 ( -0.669 -0.047 0.065) 0.674 9.178 ( -0.526 0.032 -0.214) 0.568 9.219 ( -2.229 1.096 0.804) 2.611 9.246 ( -2.691 1.170 -0.275) 2.948 10.220 ( 4.417 0.125 -0.064) 4.419 10.235 ( 2.380 -0.049 0.278) 2.397 10.502 ( -3.392 0.282 1.473) 3.709 10.564 ( -2.988 -0.076 -1.123) 3.193 ======================= Grid point 173 (73/171) ======================= q-point: ( 0.30 0.60 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( 17.675 1.355 3.363) 18.043 1.096 ( 16.927 2.346 -1.559) 17.159 1.188 ( 11.387 0.503 -0.884) 11.432 1.259 ( 18.125 -7.059 -0.935) 19.474 2.110 ( -0.058 2.324 0.072) 2.326 2.162 ( -0.288 0.048 0.652) 0.714 2.170 ( 6.499 -2.711 -0.529) 7.062 2.181 ( 0.896 -1.265 -0.893) 1.789 2.298 ( 15.212 -8.342 0.028) 17.349 2.361 ( 10.067 -4.435 0.118) 11.002 2.527 ( -10.177 5.196 0.599) 11.442 2.574 ( -4.239 -0.884 1.413) 4.555 2.691 ( -9.757 0.171 1.985) 9.958 2.698 ( -12.086 3.509 0.688) 12.604 2.785 ( -4.629 -1.872 -0.633) 5.033 2.826 ( -6.377 -1.197 -0.933) 6.555 2.986 ( 5.893 1.424 1.527) 6.252 3.033 ( 12.269 -0.731 -0.399) 12.297 3.089 ( 4.674 1.041 0.647) 4.832 3.117 ( 0.527 0.709 0.107) 0.889 3.327 ( -4.481 -1.168 0.461) 4.654 3.375 ( -3.468 -1.085 -3.547) 5.078 3.502 ( -8.986 1.712 0.380) 9.156 3.589 ( -10.948 -1.984 -0.163) 11.128 3.677 ( -12.480 1.136 0.700) 12.551 3.682 ( -10.520 0.571 0.868) 10.571 4.007 ( -6.960 13.377 0.695) 15.095 4.026 ( -6.300 12.111 -0.660) 13.667 5.059 ( -9.722 -2.057 -0.016) 9.937 5.083 ( -10.917 -3.104 0.275) 11.353 7.384 ( 2.853 -0.734 -0.067) 2.946 7.396 ( 2.860 -1.250 0.086) 3.122 7.573 ( 4.080 -0.594 -0.120) 4.125 7.591 ( 4.904 -1.412 0.093) 5.104 7.880 ( -2.067 2.188 -0.122) 3.012 7.903 ( -0.433 1.587 0.158) 1.653 7.979 ( 0.856 -1.572 0.182) 1.799 7.988 ( 1.688 -1.484 -0.118) 2.250 8.701 ( 5.502 1.018 -0.082) 5.596 8.712 ( 5.171 0.726 0.062) 5.222 8.861 ( 1.647 -1.051 2.656) 3.297 8.903 ( 1.614 -1.010 -1.700) 2.552 8.948 ( 2.312 -0.065 -0.150) 2.318 8.956 ( 2.351 -0.570 -0.104) 2.422 8.985 ( 5.175 -1.892 0.289) 5.518 9.023 ( 5.677 -2.917 -0.750) 6.427 9.185 ( -0.441 0.185 0.100) 0.489 9.187 ( -0.738 0.187 -0.133) 0.772 9.267 ( -1.698 0.500 1.023) 2.044 9.287 ( -1.526 0.341 -0.612) 1.679 10.130 ( 5.497 -0.579 0.218) 5.532 10.157 ( 5.177 -1.661 -0.004) 5.437 10.592 ( -4.917 1.225 2.430) 5.620 10.634 ( -4.824 1.103 -2.221) 5.425 ======================= Grid point 174 (74/171) ======================= q-point: ( 0.40 0.60 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.801 ( 14.101 2.086 0.083) 14.255 0.829 ( 15.555 0.319 1.512) 15.631 0.962 ( 12.389 -2.762 0.219) 12.695 0.982 ( 11.947 -1.849 -2.844) 12.419 1.804 ( 24.439 -6.200 0.703) 25.223 1.810 ( 24.503 -6.677 0.273) 25.398 2.134 ( -0.227 1.660 0.248) 1.694 2.168 ( -0.234 -1.513 -0.673) 1.672 2.255 ( -1.744 1.284 1.758) 2.789 2.294 ( -0.245 -1.009 -1.096) 1.510 2.610 ( -0.143 3.103 1.614) 3.500 2.692 ( -1.752 0.473 -1.413) 2.300 2.706 ( -1.978 -0.124 1.234) 2.335 2.801 ( 1.692 -0.777 1.771) 2.570 2.829 ( 3.446 -3.081 -0.301) 4.632 2.847 ( 6.401 -1.499 -3.249) 7.333 3.031 ( -5.025 3.942 0.539) 6.410 3.058 ( -11.105 3.023 -0.464) 11.519 3.163 ( -9.124 3.203 1.081) 9.730 3.188 ( -12.853 2.546 1.048) 13.145 3.402 ( -5.351 -1.186 0.613) 5.516 3.416 ( -4.350 -1.034 -2.942) 5.353 3.626 ( -4.641 2.402 0.438) 5.244 3.662 ( -3.834 -1.144 0.372) 4.018 3.934 ( -15.127 0.897 0.315) 15.157 3.939 ( -15.375 0.548 -0.187) 15.386 4.192 ( -4.929 5.049 0.080) 7.057 4.196 ( -4.792 4.702 -0.142) 6.715 5.246 ( -12.274 1.916 0.019) 12.422 5.268 ( -12.589 -0.295 0.108) 12.593 7.328 ( 2.737 -0.761 -0.012) 2.841 7.335 ( 2.766 -1.429 0.027) 3.113 7.487 ( 5.572 -0.491 0.177) 5.596 7.491 ( 5.801 -0.763 -0.173) 5.853 7.905 ( 1.921 1.669 0.152) 2.549 7.916 ( 1.096 1.529 -0.128) 1.886 7.949 ( 0.026 -1.414 0.219) 1.431 7.963 ( -0.636 -1.773 -0.221) 1.896 8.607 ( 6.202 0.278 -0.037) 6.208 8.619 ( 5.916 -0.711 0.001) 5.959 8.778 ( 7.874 -1.551 0.985) 8.086 8.797 ( 7.805 -2.717 -0.573) 8.284 8.905 ( 1.281 0.236 2.039) 2.419 8.918 ( 1.655 -0.343 1.565) 2.304 8.923 ( 3.190 -0.509 0.478) 3.266 8.948 ( 0.177 -0.357 -4.214) 4.233 9.196 ( -0.418 0.206 0.444) 0.644 9.199 ( -0.595 0.170 -0.435) 0.756 9.290 ( -0.265 -0.001 1.006) 1.040 9.299 ( -0.178 -0.120 -0.892) 0.918 10.042 ( 4.766 -0.296 0.755) 4.834 10.057 ( 4.767 -1.226 -0.651) 4.965 10.690 ( -4.476 0.860 2.287) 5.100 10.710 ( -4.287 0.709 -2.310) 4.921 ======================= Grid point 175 (75/171) ======================= q-point: (-0.50 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.658 ( 6.024 0.000 -5.406) 8.094 0.658 ( 6.024 -0.000 5.406) 8.094 0.771 ( 9.144 -0.000 -0.405) 9.153 0.771 ( 9.144 -0.000 0.405) 9.153 1.371 ( 23.484 -0.000 -4.354) 23.884 1.371 ( 23.484 -0.000 4.354) 23.884 2.154 ( -0.109 0.000 -1.541) 1.545 2.154 ( -0.109 0.000 1.541) 1.545 2.285 ( -0.156 0.000 -3.020) 3.024 2.285 ( -0.156 -0.000 3.020) 3.024 2.625 ( 2.246 0.000 -2.516) 3.373 2.625 ( 2.246 0.000 2.516) 3.373 2.695 ( 6.942 0.000 -2.108) 7.255 2.695 ( 6.942 -0.000 2.108) 7.255 2.855 ( -5.611 0.000 -0.118) 5.612 2.855 ( -5.611 0.000 0.118) 5.612 3.103 ( -1.013 0.000 -0.571) 1.163 3.103 ( -1.013 0.000 0.571) 1.163 3.431 ( -10.367 0.000 -4.381) 11.255 3.431 ( -10.367 -0.000 4.381) 11.255 3.490 ( -8.337 0.000 -2.384) 8.671 3.490 ( -8.337 0.000 2.384) 8.671 3.715 ( -3.830 0.000 -0.101) 3.832 3.715 ( -3.830 0.000 0.101) 3.832 4.159 ( -10.806 0.000 -0.341) 10.812 4.159 ( -10.806 0.000 0.341) 10.812 4.281 ( -3.457 0.000 -0.147) 3.460 4.281 ( -3.457 0.000 0.147) 3.460 5.463 ( -11.042 0.000 -0.463) 11.052 5.463 ( -11.042 0.000 0.463) 11.052 7.287 ( 1.912 0.000 -0.144) 1.917 7.287 ( 1.912 0.000 0.144) 1.917 7.392 ( 5.431 -0.000 -0.403) 5.446 7.392 ( 5.431 -0.000 0.403) 5.446 7.882 ( 1.893 0.000 -0.112) 1.897 7.882 ( 1.893 0.000 0.112) 1.897 7.958 ( -0.143 0.000 -1.175) 1.184 7.958 ( -0.143 -0.000 1.175) 1.184 8.516 ( 5.118 0.000 -0.104) 5.119 8.516 ( 5.118 0.000 0.104) 5.119 8.639 ( 8.142 0.000 -0.937) 8.196 8.639 ( 8.142 0.000 0.937) 8.196 8.871 ( 2.711 0.000 -0.465) 2.750 8.871 ( 2.711 -0.000 0.465) 2.750 8.949 ( -2.720 0.000 -5.749) 6.360 8.949 ( -2.720 -0.000 5.749) 6.360 9.206 ( -0.346 0.000 -0.723) 0.801 9.206 ( -0.346 -0.000 0.723) 0.801 9.284 ( 1.336 0.000 -0.997) 1.667 9.284 ( 1.336 -0.000 0.997) 1.667 9.978 ( 3.453 0.000 -1.575) 3.795 9.978 ( 3.453 -0.000 1.575) 3.795 10.769 ( -3.406 0.000 -1.891) 3.896 10.769 ( -3.406 -0.000 1.891) 3.896 ======================= Grid point 183 (76/171) ======================= q-point: ( 0.20 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( -3.989 10.886 0.082) 11.594 1.303 ( 3.645 9.286 0.462) 9.987 1.369 ( -14.004 10.894 0.845) 17.762 1.582 ( -15.538 9.190 -1.405) 18.107 2.075 ( 3.313 -0.872 0.811) 3.521 2.110 ( 9.520 -4.707 1.979) 10.803 2.156 ( 4.445 -3.668 -1.308) 5.909 2.199 ( 0.251 -0.910 -1.179) 1.510 2.267 ( 7.081 -1.619 0.114) 7.264 2.326 ( 6.488 -4.380 0.679) 7.857 2.433 ( -1.353 -0.169 -0.430) 1.430 2.512 ( 1.325 -0.029 0.555) 1.436 2.695 ( -6.607 0.554 -0.311) 6.637 2.775 ( -12.948 0.424 0.327) 12.959 2.791 ( -6.457 -1.494 -1.539) 6.804 2.907 ( -17.156 -4.508 1.029) 17.769 2.955 ( -0.287 -2.244 -0.712) 2.372 3.083 ( -0.275 0.645 -0.412) 0.813 3.217 ( 1.426 -3.343 2.873) 4.632 3.247 ( 0.995 -3.315 -0.824) 3.558 3.269 ( 4.361 -5.651 -0.248) 7.142 3.290 ( -1.604 1.867 -0.552) 2.523 3.361 ( 1.544 -7.472 0.390) 7.639 3.391 ( -0.781 0.309 -1.223) 1.484 3.551 ( 2.930 4.648 0.774) 5.548 3.651 ( 2.308 1.294 0.373) 2.672 3.731 ( 17.975 5.919 -0.497) 18.931 3.809 ( 15.944 2.955 0.513) 16.223 4.965 ( -3.258 -9.373 0.490) 9.936 4.991 ( -1.466 -8.840 -0.361) 8.968 7.442 ( 0.708 1.738 -0.014) 1.877 7.458 ( 0.808 1.889 0.070) 2.055 7.627 ( -1.310 1.376 -0.064) 1.901 7.654 ( -3.442 2.213 -0.082) 4.093 7.809 ( 0.664 -2.054 0.224) 2.170 7.837 ( -1.805 -1.106 -0.167) 2.123 8.019 ( 0.403 0.730 -0.046) 0.835 8.040 ( 0.726 0.777 0.128) 1.071 8.759 ( 0.369 3.961 0.350) 3.993 8.764 ( 0.362 4.011 -0.326) 4.040 8.874 ( -0.966 0.875 0.018) 1.303 8.903 ( -1.198 -0.419 -0.414) 1.336 8.950 ( -0.590 1.018 -0.272) 1.207 9.014 ( 1.338 0.565 0.747) 1.633 9.102 ( -4.317 2.665 0.246) 5.080 9.149 ( -4.534 1.786 0.006) 4.873 9.171 ( -0.321 -0.450 0.025) 0.553 9.186 ( 1.158 -0.347 -0.183) 1.223 9.208 ( 1.507 -1.294 -0.171) 1.994 9.246 ( 2.394 -1.938 0.107) 3.082 10.206 ( -3.379 3.022 0.248) 4.541 10.244 ( -0.585 3.103 -0.121) 3.160 10.485 ( 0.855 -2.166 -0.428) 2.367 10.583 ( 2.747 -3.287 0.493) 4.312 ======================= Grid point 184 (77/171) ======================= q-point: ( 0.30 0.70 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( 8.776 6.346 0.344) 10.835 1.252 ( 6.851 6.273 -0.254) 9.293 1.454 ( 15.162 -1.488 1.121) 15.276 1.612 ( 13.564 -6.326 -0.936) 14.996 2.036 ( -9.223 4.038 0.140) 10.069 2.096 ( -0.681 3.307 -0.028) 3.377 2.158 ( -4.128 1.885 -0.909) 4.629 2.196 ( -0.151 -1.359 0.282) 1.396 2.238 ( -4.668 2.682 -0.072) 5.384 2.332 ( -10.424 3.743 0.478) 11.086 2.475 ( -1.125 1.674 0.229) 2.030 2.518 ( -0.404 3.055 -0.038) 3.082 2.722 ( -1.292 -6.781 1.663) 7.100 2.760 ( 4.718 -5.074 -1.094) 7.015 2.795 ( 5.483 -10.635 -0.163) 11.967 2.872 ( 5.100 -16.436 -0.260) 17.212 3.023 ( -0.674 -1.244 2.362) 2.753 3.114 ( 0.807 -0.227 -0.389) 0.924 3.147 ( -9.622 0.692 -0.541) 9.662 3.249 ( 8.449 -0.791 -0.302) 8.491 3.288 ( -19.073 -1.007 -0.460) 19.105 3.332 ( 5.777 -0.664 -0.096) 5.816 3.347 ( -0.855 -2.120 1.322) 2.640 3.359 ( -0.562 -1.818 -1.755) 2.588 3.537 ( -0.088 7.139 0.121) 7.141 3.648 ( 0.865 0.063 0.448) 0.976 3.737 ( -3.893 20.144 0.490) 20.523 3.795 ( -4.723 13.397 -0.200) 14.207 4.974 ( -5.872 -6.470 0.332) 8.743 4.980 ( -7.244 -6.873 -0.225) 9.988 7.428 ( 2.062 0.276 -0.040) 2.080 7.444 ( 2.065 0.089 0.055) 2.068 7.626 ( 1.820 -0.145 -0.113) 1.830 7.669 ( 2.468 -0.907 0.119) 2.632 7.820 ( -2.634 1.098 -0.118) 2.856 7.871 ( -2.219 0.383 0.086) 2.253 8.006 ( 1.224 -0.283 0.020) 1.256 8.024 ( 1.474 -0.327 0.035) 1.510 8.759 ( 3.353 2.494 0.038) 4.179 8.767 ( 3.016 2.355 -0.036) 3.827 8.887 ( -0.013 -0.167 1.097) 1.110 8.908 ( -0.397 -0.765 -1.048) 1.357 8.961 ( 0.443 1.030 -0.128) 1.129 8.993 ( 1.903 0.169 0.223) 1.924 9.098 ( 4.514 -2.384 -0.043) 5.105 9.143 ( 4.107 -3.476 -0.016) 5.381 9.175 ( -0.712 0.008 0.070) 0.716 9.176 ( -0.533 -0.021 -0.120) 0.547 9.224 ( -2.406 1.354 0.327) 2.780 9.244 ( -2.570 1.004 -0.143) 2.763 10.220 ( 4.551 0.159 -0.021) 4.554 10.236 ( 2.252 -0.031 0.104) 2.254 10.512 ( -4.098 0.877 0.749) 4.257 10.556 ( -2.275 -0.576 -0.616) 2.426 ======================= Grid point 185 (78/171) ======================= q-point: (-0.60 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( 19.489 0.246 0.000) 19.491 1.083 ( 15.407 4.175 0.000) 15.962 1.183 ( 11.993 0.216 0.000) 11.995 1.255 ( 17.520 -7.535 0.000) 19.072 2.111 ( -0.041 2.288 -0.000) 2.288 2.166 ( 2.500 -0.824 0.000) 2.632 2.166 ( 4.196 -1.611 0.000) 4.495 2.177 ( -0.134 -1.231 0.000) 1.239 2.298 ( 15.698 -8.519 0.000) 17.860 2.361 ( 9.529 -4.040 0.000) 10.350 2.529 ( -12.020 6.087 -0.000) 13.473 2.581 ( -1.632 -2.625 0.000) 3.092 2.696 ( -13.604 1.868 -0.000) 13.732 2.703 ( -9.624 3.132 -0.000) 10.121 2.784 ( -2.063 -3.868 0.000) 4.384 2.822 ( -8.501 0.020 -0.000) 8.502 2.992 ( 7.179 1.553 0.000) 7.345 3.032 ( 13.186 -0.395 0.000) 13.192 3.093 ( 4.467 1.317 0.000) 4.657 3.115 ( -0.612 0.249 -0.000) 0.661 3.335 ( -4.620 -0.785 -0.000) 4.686 3.355 ( -3.446 -1.699 -0.000) 3.842 3.504 ( -9.110 1.738 -0.000) 9.274 3.588 ( -11.469 -2.002 -0.000) 11.643 3.680 ( -12.486 1.265 -0.000) 12.550 3.685 ( -9.755 0.670 -0.000) 9.778 4.010 ( -6.818 13.457 -0.000) 15.085 4.023 ( -6.422 11.949 -0.000) 13.566 5.059 ( -9.662 -1.996 -0.000) 9.866 5.085 ( -10.958 -3.118 -0.000) 11.393 7.383 ( 2.855 -0.716 0.000) 2.943 7.396 ( 2.860 -1.264 0.000) 3.126 7.572 ( 4.042 -0.570 0.000) 4.082 7.592 ( 4.936 -1.450 0.000) 5.144 7.880 ( -2.141 2.214 -0.000) 3.079 7.904 ( -0.368 1.567 -0.000) 1.609 7.980 ( 0.723 -1.572 0.000) 1.731 7.988 ( 1.839 -1.470 0.000) 2.354 8.700 ( 5.519 1.024 0.000) 5.614 8.712 ( 5.157 0.713 0.000) 5.206 8.877 ( 1.686 -0.754 0.000) 1.847 8.892 ( 1.179 -1.350 0.000) 1.792 8.947 ( 2.273 0.095 0.000) 2.275 8.956 ( 2.399 -0.534 0.000) 2.458 8.987 ( 5.220 -1.817 0.000) 5.527 9.020 ( 6.017 -3.088 0.000) 6.763 9.186 ( -0.665 0.107 -0.000) 0.674 9.186 ( -0.530 0.257 -0.000) 0.589 9.272 ( -1.737 0.673 -0.000) 1.863 9.284 ( -1.466 0.182 -0.000) 1.477 10.131 ( 5.400 -0.491 0.000) 5.422 10.157 ( 5.282 -1.724 0.000) 5.556 10.607 ( -5.017 1.559 -0.000) 5.254 10.620 ( -4.673 0.787 -0.000) 4.739 ======================= Grid point 194 (79/171) ======================= q-point: ( 0.20 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( -6.170 13.290 -0.134) 14.653 1.050 ( -10.902 8.063 3.181) 13.928 1.152 ( -17.917 13.288 -3.042) 22.514 1.246 ( -1.878 9.606 0.352) 9.794 2.090 ( 1.007 0.643 -0.105) 1.199 2.176 ( -6.014 5.604 -0.255) 8.224 2.201 ( 0.275 0.323 0.090) 0.434 2.262 ( -10.240 4.022 0.399) 11.009 2.282 ( -14.114 9.876 0.745) 17.243 2.298 ( 4.315 0.248 0.160) 4.325 2.483 ( -7.848 2.511 -0.574) 8.259 2.518 ( -0.312 -4.738 -0.734) 4.805 2.615 ( 15.375 -11.815 -0.600) 19.399 2.690 ( 5.772 -6.469 -0.596) 8.690 2.806 ( 5.383 -7.288 0.611) 9.081 2.853 ( -4.133 -6.523 -0.049) 7.722 2.982 ( 1.664 1.876 2.757) 3.726 3.018 ( -1.440 4.613 -2.334) 5.367 3.061 ( -5.428 8.258 -0.484) 9.894 3.136 ( -0.479 3.410 0.479) 3.477 3.348 ( 1.256 -4.638 0.172) 4.808 3.411 ( 1.576 -2.849 -0.896) 3.377 3.566 ( 7.197 -6.009 1.650) 9.520 3.605 ( 7.595 -13.466 -0.606) 15.472 3.620 ( 5.333 -11.505 -0.421) 12.688 3.680 ( 4.204 -3.854 0.319) 5.712 4.008 ( 15.347 0.348 -0.111) 15.351 4.051 ( 13.567 1.006 0.147) 13.605 5.050 ( 1.906 -10.734 0.223) 10.904 5.093 ( 3.309 -9.886 -0.198) 10.427 7.420 ( -0.513 3.017 0.028) 3.060 7.437 ( -0.237 3.333 0.011) 3.342 7.550 ( -5.324 2.980 -0.054) 6.101 7.560 ( -4.091 2.737 -0.015) 4.922 7.832 ( -0.514 -1.703 -0.038) 1.779 7.849 ( 0.995 -2.160 0.056) 2.378 8.004 ( -0.839 1.431 -0.089) 1.662 8.036 ( 0.075 1.408 0.109) 1.414 8.699 ( -2.275 4.996 0.076) 5.490 8.711 ( -1.350 5.003 -0.061) 5.182 8.832 ( -1.975 2.553 -0.426) 3.256 8.876 ( -2.266 0.408 -0.109) 2.305 8.925 ( -1.365 0.898 -0.089) 1.637 8.978 ( -5.748 4.749 0.077) 7.456 9.001 ( -3.972 3.396 0.081) 5.227 9.061 ( -1.049 0.715 0.582) 1.396 9.172 ( -0.152 -0.402 -0.042) 0.432 9.201 ( 0.926 -0.090 0.041) 0.931 9.247 ( 1.163 -1.158 -0.289) 1.666 9.293 ( 1.285 -1.413 0.076) 1.911 10.101 ( -4.718 3.701 -0.101) 5.997 10.171 ( -3.116 4.146 0.096) 5.188 10.554 ( 3.515 -3.552 -0.359) 5.010 10.677 ( 3.678 -3.745 0.379) 5.262 ======================= Grid point 195 (80/171) ======================= q-point: ( 0.30 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( -3.997 11.041 -0.000) 11.742 1.305 ( 4.400 8.998 -0.000) 10.016 1.373 ( -14.378 11.340 -0.000) 18.312 1.576 ( -15.844 8.914 -0.000) 18.179 2.078 ( 2.260 0.367 0.000) 2.289 2.124 ( 12.603 -7.182 0.000) 14.506 2.145 ( 3.495 -2.386 0.000) 4.232 2.194 ( -0.862 -1.151 0.000) 1.438 2.268 ( 7.328 -1.668 0.000) 7.516 2.329 ( 6.957 -4.802 0.000) 8.453 2.431 ( -1.992 0.630 -0.000) 2.089 2.514 ( 1.663 -0.142 0.000) 1.669 2.695 ( -8.160 1.421 -0.000) 8.283 2.780 ( -12.910 -2.555 -0.000) 13.160 2.780 ( -5.624 1.085 -0.000) 5.728 2.911 ( -18.426 -4.286 -0.000) 18.918 2.952 ( 1.088 -2.594 0.000) 2.813 3.081 ( -0.348 0.906 -0.000) 0.971 3.232 ( 2.794 -4.338 0.000) 5.160 3.240 ( -1.503 -0.709 -0.000) 1.662 3.267 ( 7.221 -9.632 0.000) 12.038 3.287 ( -3.326 3.915 -0.000) 5.137 3.363 ( 1.638 -8.159 0.000) 8.321 3.386 ( -0.901 0.884 -0.000) 1.263 3.554 ( 2.923 4.753 -0.000) 5.580 3.653 ( 2.470 1.341 -0.000) 2.811 3.729 ( 17.970 6.012 0.000) 18.948 3.811 ( 15.894 3.001 0.000) 16.175 4.967 ( -3.334 -9.415 0.000) 9.988 4.989 ( -1.389 -8.761 0.000) 8.871 7.442 ( 0.715 1.708 -0.000) 1.852 7.458 ( 0.811 1.923 -0.000) 2.087 7.627 ( -1.288 1.296 -0.000) 1.827 7.653 ( -3.485 2.293 -0.000) 4.171 7.810 ( 0.771 -2.115 0.000) 2.251 7.837 ( -1.902 -1.055 0.000) 2.175 8.019 ( 0.387 0.755 -0.000) 0.848 8.041 ( 0.743 0.778 -0.000) 1.076 8.761 ( 0.671 4.011 -0.000) 4.067 8.762 ( 0.066 3.967 -0.000) 3.968 8.874 ( -1.124 1.124 -0.000) 1.589 8.901 ( -1.142 -0.604 0.000) 1.292 8.949 ( -0.570 1.044 -0.000) 1.189 9.017 ( 1.379 0.527 0.000) 1.476 9.103 ( -4.316 2.694 -0.000) 5.088 9.149 ( -4.493 1.736 -0.000) 4.817 9.171 ( -0.350 -0.452 0.000) 0.571 9.185 ( 1.279 -0.479 0.000) 1.365 9.207 ( 1.357 -1.123 0.000) 1.762 9.246 ( 2.414 -1.933 0.000) 3.092 10.207 ( -3.479 3.028 -0.000) 4.612 10.244 ( -0.488 3.133 -0.000) 3.171 10.483 ( 0.735 -2.073 0.000) 2.199 10.585 ( 2.852 -3.343 0.000) 4.394 ======================= Grid point 204 (81/171) ======================= q-point: ( 0.20 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.722 ( -13.346 13.954 -0.000) 19.309 0.722 ( -9.160 13.949 0.000) 16.687 0.971 ( 3.649 -1.613 0.000) 3.990 1.118 ( -2.668 9.632 -0.000) 9.995 1.765 ( -18.257 16.960 -0.000) 24.919 1.767 ( -22.402 22.207 -0.000) 31.544 2.104 ( 0.941 0.183 0.000) 0.959 2.215 ( 0.981 0.688 -0.000) 1.198 2.248 ( -0.552 -1.864 0.000) 1.944 2.359 ( 3.051 3.373 -0.000) 4.549 2.454 ( 0.901 -2.112 0.000) 2.296 2.573 ( 1.250 -5.444 0.000) 5.586 2.731 ( -6.676 -0.916 -0.000) 6.738 2.736 ( -1.298 0.844 -0.000) 1.548 2.906 ( -0.523 0.147 -0.000) 0.544 2.947 ( 2.872 -2.745 0.000) 3.972 2.994 ( 2.512 0.965 0.000) 2.691 3.069 ( 6.941 -8.851 0.000) 11.248 3.129 ( 4.172 -2.059 0.000) 4.652 3.144 ( 9.839 -10.669 0.000) 14.513 3.417 ( 1.322 -5.479 0.000) 5.636 3.469 ( 1.520 -3.607 0.000) 3.915 3.657 ( 3.571 -1.984 0.000) 4.085 3.708 ( 3.384 -1.780 0.000) 3.823 3.906 ( 8.794 -14.146 0.000) 16.656 3.928 ( 8.706 -13.723 0.000) 16.252 4.201 ( 7.259 -1.897 0.000) 7.503 4.212 ( 6.156 -0.938 0.000) 6.227 5.222 ( 5.745 -11.218 0.000) 12.604 5.275 ( 6.538 -10.487 0.000) 12.358 7.373 ( -1.214 3.630 -0.000) 3.828 7.393 ( -0.979 3.699 -0.000) 3.827 7.435 ( -4.798 3.183 -0.000) 5.758 7.458 ( -4.130 3.665 -0.000) 5.521 7.842 ( -0.052 -1.245 0.000) 1.246 7.876 ( 0.242 -1.073 0.000) 1.100 7.968 ( -1.601 1.647 -0.000) 2.297 8.022 ( -0.142 1.303 -0.000) 1.311 8.603 ( -3.132 5.172 -0.000) 6.046 8.633 ( -1.917 5.337 -0.000) 5.671 8.749 ( -4.019 5.884 -0.000) 7.125 8.793 ( -5.822 4.785 -0.000) 7.536 8.837 ( -4.112 3.696 -0.000) 5.529 8.890 ( -3.510 2.111 -0.000) 4.096 8.902 ( -1.239 1.207 -0.000) 1.730 9.075 ( 1.291 -0.408 0.000) 1.354 9.172 ( -0.353 -0.324 0.000) 0.479 9.219 ( 0.948 -0.187 0.000) 0.966 9.263 ( 0.113 -0.334 0.000) 0.352 9.318 ( 0.591 -0.658 0.000) 0.884 9.996 ( -3.792 3.270 -0.000) 5.007 10.084 ( -2.627 3.676 -0.000) 4.518 10.647 ( 3.388 -3.841 0.000) 5.122 10.766 ( 2.779 -3.256 0.000) 4.281 ======================= Grid point 214 (82/171) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.470 ( 0.000 17.521 -0.000) 17.521 0.609 ( 0.000 13.901 -0.000) 13.901 1.049 ( 0.000 7.435 -0.000) 7.435 1.127 ( -0.000 -6.794 0.000) 6.794 1.332 ( 0.000 34.501 -0.000) 34.501 1.446 ( 0.000 26.217 -0.000) 26.217 2.136 ( 0.000 0.878 -0.000) 0.878 2.222 ( -0.000 -2.472 0.000) 2.472 2.235 ( 0.000 1.942 -0.000) 1.942 2.323 ( 0.000 0.412 -0.000) 0.412 2.526 ( -0.000 -3.820 0.000) 3.820 2.601 ( -0.000 -5.993 0.000) 5.993 2.712 ( 0.000 4.409 -0.000) 4.409 2.727 ( 0.000 5.925 -0.000) 5.925 2.880 ( -0.000 -4.031 0.000) 4.031 2.882 ( -0.000 -4.579 0.000) 4.579 3.051 ( 0.000 1.467 -0.000) 1.467 3.063 ( 0.000 0.220 -0.000) 0.220 3.352 ( -0.000 -16.871 0.000) 16.871 3.353 ( -0.000 -15.482 0.000) 15.482 3.415 ( -0.000 -2.619 0.000) 2.619 3.473 ( -0.000 -3.141 0.000) 3.141 3.721 ( -0.000 -4.336 0.000) 4.336 3.777 ( -0.000 -3.371 0.000) 3.371 4.110 ( -0.000 -11.006 0.000) 11.006 4.131 ( -0.000 -10.973 0.000) 10.973 4.243 ( -0.000 -5.366 0.000) 5.366 4.248 ( -0.000 -6.205 0.000) 6.205 5.350 ( -0.000 -12.429 0.000) 12.429 5.412 ( -0.000 -12.504 0.000) 12.504 7.322 ( 0.000 2.097 -0.000) 2.097 7.340 ( 0.000 1.915 -0.000) 1.915 7.376 ( 0.000 6.009 -0.000) 6.009 7.418 ( 0.000 6.781 -0.000) 6.781 7.848 ( -0.000 -0.391 0.000) 0.391 7.879 ( 0.000 0.349 -0.000) 0.349 7.928 ( 0.000 1.353 -0.000) 1.353 8.016 ( 0.000 0.593 -0.000) 0.593 8.538 ( 0.000 5.183 -0.000) 5.183 8.593 ( 0.000 4.262 -0.000) 4.262 8.661 ( 0.000 10.821 -0.000) 10.821 8.671 ( 0.000 9.952 -0.000) 9.952 8.780 ( 0.000 2.100 -0.000) 2.100 8.836 ( 0.000 1.297 -0.000) 1.297 8.880 ( 0.000 1.722 -0.000) 1.722 9.100 ( -0.000 -1.106 0.000) 1.106 9.161 ( 0.000 0.138 -0.000) 0.138 9.244 ( -0.000 -0.659 0.000) 0.659 9.252 ( 0.000 0.459 -0.000) 0.459 9.330 ( -0.000 -0.471 0.000) 0.471 9.931 ( 0.000 3.424 -0.000) 3.424 10.040 ( 0.000 3.758 -0.000) 3.758 10.708 ( -0.000 -4.729 0.000) 4.729 10.812 ( -0.000 -3.419 0.000) 3.419 ======================= Grid point 215 (83/171) ======================= q-point: ( 0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.699 ( -6.038 18.888 0.095) 19.830 0.770 ( -4.412 12.859 1.975) 13.738 1.044 ( 4.482 1.332 -1.321) 4.859 1.155 ( -3.750 8.565 -0.671) 9.374 1.737 ( -10.052 29.334 0.177) 31.009 1.750 ( -6.718 24.008 0.070) 24.931 2.131 ( 1.377 1.055 0.418) 1.784 2.201 ( -0.440 -2.739 -0.051) 2.775 2.254 ( 0.292 2.060 0.664) 2.184 2.353 ( -2.616 0.096 0.262) 2.631 2.496 ( 0.595 -2.787 -0.474) 2.889 2.533 ( 0.637 -6.513 0.537) 6.566 2.686 ( 4.237 1.611 -1.038) 4.650 2.748 ( 1.497 1.513 0.015) 2.129 2.871 ( -3.442 1.330 -2.047) 4.220 2.917 ( -3.887 -0.276 -1.907) 4.338 3.044 ( 2.592 -2.907 0.710) 3.959 3.062 ( 1.525 -5.187 2.669) 6.030 3.140 ( 4.470 -15.627 0.022) 16.254 3.155 ( 4.151 -9.324 0.315) 10.211 3.387 ( 0.659 -3.814 0.852) 3.963 3.445 ( 0.039 -3.895 0.753) 3.968 3.663 ( 1.365 -4.605 -0.727) 4.857 3.728 ( 1.945 -3.010 -0.506) 3.619 3.915 ( 8.254 -14.021 0.048) 16.270 3.937 ( 7.982 -13.883 -0.076) 16.014 4.208 ( -1.588 -6.528 -0.104) 6.719 4.216 ( -2.123 -5.345 -0.122) 5.752 5.193 ( 4.533 -12.385 0.082) 13.189 5.254 ( 4.390 -12.572 -0.073) 13.317 7.365 ( -2.457 2.190 0.045) 3.292 7.381 ( -2.517 1.966 -0.029) 3.194 7.440 ( -0.671 6.134 0.136) 6.172 7.483 ( -0.086 6.869 -0.111) 6.870 7.837 ( 0.548 -0.980 0.096) 1.127 7.876 ( 0.541 -0.440 -0.121) 0.708 7.956 ( -1.497 1.546 0.191) 2.160 8.025 ( -0.477 0.661 -0.244) 0.851 8.611 ( -2.343 5.639 0.187) 6.109 8.653 ( -1.942 4.950 -0.126) 5.319 8.774 ( -1.019 8.131 0.297) 8.200 8.785 ( -2.200 8.431 -0.024) 8.713 8.821 ( -2.369 4.047 0.471) 4.713 8.864 ( -1.952 1.883 0.009) 2.712 8.904 ( -0.557 2.123 0.143) 2.199 9.083 ( 0.610 -0.921 -0.747) 1.334 9.165 ( -0.250 -0.021 0.080) 0.263 9.230 ( 0.676 -0.523 -0.217) 0.882 9.259 ( -0.187 -0.369 0.339) 0.535 9.320 ( 0.488 -0.835 -0.091) 0.972 9.984 ( -1.975 4.290 0.354) 4.736 10.090 ( -1.374 4.584 -0.283) 4.794 10.647 ( 1.645 -5.028 0.322) 5.300 10.763 ( 1.360 -4.256 -0.407) 4.486 ======================= Grid point 216 (84/171) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( -8.379 13.565 -3.687) 16.365 1.033 ( -4.950 16.151 -0.361) 16.896 1.079 ( -6.202 13.524 3.988) 15.403 1.312 ( -4.013 10.570 -0.502) 11.317 2.085 ( -8.921 13.775 -1.198) 16.455 2.126 ( -1.865 5.497 2.000) 6.140 2.158 ( -10.814 16.234 -1.435) 19.559 2.183 ( -0.403 -2.154 0.429) 2.233 2.259 ( 1.859 1.537 0.662) 2.501 2.401 ( -3.008 -2.006 0.387) 3.636 2.418 ( 5.976 1.617 -1.207) 6.308 2.472 ( 0.273 -5.579 1.713) 5.843 2.649 ( 0.549 -6.242 -1.988) 6.574 2.697 ( 2.464 -5.117 1.114) 5.787 2.777 ( 7.045 -13.452 -0.481) 15.193 2.835 ( 7.147 -14.158 0.548) 15.869 3.002 ( -1.647 4.877 -3.116) 6.017 3.015 ( -4.477 5.513 -0.800) 7.146 3.081 ( -0.931 3.916 4.226) 5.837 3.143 ( -1.297 1.808 0.018) 2.225 3.330 ( 1.777 -4.189 0.990) 4.657 3.405 ( 0.874 -3.628 1.639) 4.076 3.578 ( 3.931 -10.926 -0.922) 11.648 3.595 ( 8.789 -14.786 -0.972) 17.229 3.634 ( 7.270 -8.343 0.649) 11.085 3.707 ( 3.524 -3.563 -1.049) 5.120 4.155 ( 2.821 -3.213 -0.008) 4.276 4.187 ( 1.849 -2.038 -0.366) 2.776 4.984 ( 5.508 -13.210 -0.203) 14.314 5.047 ( 5.420 -13.148 0.188) 14.223 7.430 ( -2.280 2.426 0.035) 3.330 7.446 ( -2.569 2.104 -0.065) 3.321 7.517 ( -2.375 5.103 0.193) 5.632 7.550 ( -1.051 5.625 -0.109) 5.723 7.815 ( 0.474 -1.741 0.194) 1.815 7.849 ( 1.301 -1.678 -0.236) 2.137 7.999 ( -1.544 1.466 0.221) 2.140 8.041 ( -0.663 0.853 -0.305) 1.122 8.712 ( -2.906 5.896 0.136) 6.575 8.738 ( -2.138 5.486 -0.179) 5.891 8.832 ( -1.043 2.383 0.810) 2.724 8.857 ( -1.075 1.923 0.213) 2.214 8.919 ( -1.567 3.659 0.230) 3.987 8.951 ( -3.234 5.012 -0.355) 5.975 8.961 ( -4.393 5.247 0.276) 6.848 9.061 ( 0.624 -0.494 -1.189) 1.431 9.167 ( -0.108 -0.227 0.093) 0.268 9.213 ( 0.685 -0.320 -0.202) 0.783 9.249 ( 0.560 -1.435 0.569) 1.642 9.297 ( 0.934 -1.504 -0.158) 1.777 10.075 ( -3.422 4.886 0.516) 5.987 10.167 ( -2.492 5.184 -0.418) 5.767 10.567 ( 2.568 -4.861 0.712) 5.543 10.686 ( 2.507 -4.871 -0.753) 5.530 ======================= Grid point 217 (85/171) ======================= q-point: ( 0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( -4.119 15.083 -1.208) 15.682 1.250 ( -12.010 15.314 -3.495) 19.773 1.440 ( -9.855 12.683 2.329) 16.230 1.466 ( -4.487 14.245 1.886) 15.054 2.114 ( 1.944 0.337 -0.853) 2.150 2.149 ( 0.552 -4.049 0.929) 4.190 2.195 ( 6.392 -2.776 -1.308) 7.091 2.264 ( 7.206 -3.623 2.414) 8.419 2.339 ( 0.587 -1.971 -2.840) 3.507 2.388 ( -0.916 3.714 -1.973) 4.304 2.414 ( 6.042 -4.155 1.047) 7.408 2.476 ( -8.476 0.936 2.200) 8.807 2.553 ( 0.058 -5.364 -0.801) 5.424 2.583 ( -11.639 1.176 -0.266) 11.702 2.661 ( -0.636 -6.060 -0.495) 6.113 2.731 ( -2.722 -5.389 1.031) 6.125 2.990 ( 3.960 -1.525 1.012) 4.362 3.085 ( -0.007 0.082 0.205) 0.221 3.191 ( -0.414 -1.074 -1.778) 2.118 3.244 ( 3.521 -6.460 0.312) 7.364 3.262 ( -4.129 5.297 0.357) 6.725 3.308 ( 5.477 -7.298 1.414) 9.233 3.322 ( 3.939 -9.752 0.037) 10.518 3.382 ( -0.648 -0.387 1.333) 1.532 3.586 ( -0.493 2.621 -1.301) 2.968 3.673 ( 0.279 1.627 -1.177) 2.028 4.045 ( 10.914 3.821 0.225) 11.565 4.096 ( 10.547 4.435 -0.631) 11.460 4.797 ( -0.521 -15.382 -0.402) 15.396 4.857 ( 0.691 -15.042 0.207) 15.059 7.473 ( 0.074 2.390 0.090) 2.393 7.489 ( -0.056 2.063 -0.174) 2.071 7.614 ( -3.978 3.544 0.038) 5.328 7.621 ( -1.844 3.688 0.159) 4.126 7.795 ( -0.132 -2.308 -0.231) 2.323 7.807 ( 0.798 -2.330 0.166) 2.468 8.028 ( -0.418 1.014 0.034) 1.097 8.054 ( 0.033 0.665 -0.212) 0.699 8.803 ( -0.985 5.680 -0.232) 5.769 8.815 ( -0.662 5.477 0.107) 5.517 8.867 ( -0.807 0.822 0.282) 1.186 8.884 ( -1.055 0.284 0.406) 1.165 8.957 ( -0.468 2.130 0.491) 2.236 9.031 ( 0.580 0.393 -1.024) 1.241 9.060 ( -3.836 3.854 -0.543) 5.465 9.089 ( -4.398 2.293 0.158) 4.962 9.165 ( -0.021 -0.390 -0.083) 0.400 9.200 ( 0.742 -0.178 0.062) 0.766 9.217 ( 1.376 -2.255 0.526) 2.693 9.258 ( 1.574 -2.098 -0.272) 2.637 10.184 ( -3.608 4.848 0.203) 6.047 10.259 ( -2.393 5.346 -0.323) 5.866 10.483 ( 2.333 -4.548 0.894) 5.189 10.589 ( 2.881 -5.024 -0.965) 5.871 ======================= Grid point 218 (86/171) ======================= q-point: ( 0.60 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( 1.100 11.618 -1.187) 11.730 1.501 ( 8.216 10.131 0.881) 13.073 1.551 ( -3.447 9.055 -3.855) 10.428 1.756 ( -0.793 6.460 3.585) 7.430 1.941 ( 1.758 -5.682 -3.255) 6.780 2.089 ( -2.780 -3.112 1.943) 4.603 2.136 ( 1.410 2.968 0.421) 3.313 2.198 ( 1.419 -1.703 2.465) 3.315 2.248 ( 3.542 -1.117 0.358) 3.731 2.269 ( 1.207 -1.282 -0.665) 1.882 2.439 ( -2.486 1.498 -2.643) 3.926 2.501 ( -1.968 -0.736 -2.130) 2.992 2.642 ( -2.050 -4.316 1.782) 5.100 2.707 ( -4.702 -8.199 0.592) 9.470 2.760 ( -6.319 -5.780 -0.951) 8.616 2.814 ( -3.309 -3.989 0.104) 5.184 2.840 ( -0.737 -2.970 -1.236) 3.300 2.971 ( -2.219 -8.036 -1.296) 8.437 3.132 ( -0.642 -0.484 -0.084) 0.809 3.133 ( -0.754 -0.150 0.147) 0.783 3.235 ( -1.118 -3.589 0.765) 3.836 3.305 ( -0.669 -1.699 3.251) 3.729 3.377 ( -0.546 0.521 -1.725) 1.883 3.409 ( 0.229 1.033 0.045) 1.060 3.660 ( -0.052 3.306 -1.157) 3.503 3.672 ( 4.550 1.410 -0.723) 4.818 3.934 ( 8.969 14.886 -0.902) 17.402 3.980 ( 9.414 15.463 0.450) 18.109 4.733 ( -8.899 -13.978 -0.611) 16.582 4.769 ( -7.263 -14.111 0.098) 15.871 7.473 ( 2.049 1.371 0.135) 2.469 7.485 ( 2.103 1.027 -0.186) 2.348 7.656 ( 0.833 1.454 0.404) 1.724 7.685 ( -0.090 0.898 -0.365) 0.973 7.779 ( -2.388 -0.737 -0.058) 2.500 7.817 ( -3.207 -1.156 0.206) 3.415 8.029 ( 1.100 0.382 -0.256) 1.192 8.047 ( 1.268 0.170 -0.086) 1.282 8.839 ( 2.271 4.304 -0.428) 4.885 8.852 ( 2.410 4.443 0.286) 5.063 8.873 ( 0.283 -0.142 -0.723) 0.790 8.905 ( -1.117 -0.199 0.991) 1.506 8.981 ( 0.116 1.617 0.227) 1.637 9.012 ( 1.145 -0.013 -0.759) 1.374 9.132 ( -0.275 0.293 -0.204) 0.450 9.147 ( -0.337 -1.872 0.081) 1.904 9.157 ( 0.254 -1.545 0.090) 1.568 9.168 ( -0.247 -0.368 0.118) 0.459 9.205 ( -0.330 0.320 -0.310) 0.554 9.222 ( -0.559 -0.024 -0.072) 0.565 10.264 ( -0.280 3.275 -0.239) 3.296 10.301 ( 3.377 2.480 -0.070) 4.190 10.443 ( -2.154 -2.347 -0.457) 3.218 10.517 ( -1.002 -3.059 -0.004) 3.219 ======================= Grid point 219 (87/171) ======================= q-point: (-0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( 19.157 1.071 -4.207) 19.643 1.374 ( 10.904 4.662 0.001) 11.859 1.398 ( 13.017 1.829 -0.543) 13.156 1.570 ( 18.946 -2.022 3.487) 19.370 2.102 ( -8.170 2.753 -0.342) 8.629 2.139 ( 0.668 1.253 -0.214) 1.436 2.174 ( -1.511 -0.555 0.020) 1.610 2.211 ( -2.378 0.200 2.697) 3.602 2.312 ( -12.590 3.716 -1.442) 13.206 2.398 ( -13.979 3.131 1.329) 14.387 2.450 ( 8.217 -3.875 -0.761) 9.116 2.491 ( 4.152 -7.473 -0.889) 8.595 2.547 ( -0.151 -0.409 -2.816) 2.850 2.603 ( 2.933 -3.968 -2.821) 5.684 2.707 ( -2.872 -1.082 2.008) 3.668 2.738 ( -3.183 -3.808 1.972) 5.340 2.956 ( -3.350 0.092 -4.724) 5.792 3.057 ( -2.765 -0.659 -5.681) 6.353 3.201 ( -0.625 0.255 3.687) 3.748 3.261 ( 3.365 0.169 1.933) 3.884 3.283 ( -9.020 -1.553 -0.532) 9.168 3.311 ( -5.447 0.207 1.584) 5.677 3.324 ( -5.639 -0.920 0.699) 5.756 3.374 ( 0.055 -0.405 2.728) 2.758 3.581 ( 2.062 1.184 -2.223) 3.255 3.604 ( 2.217 -1.218 -2.767) 3.749 4.034 ( -2.284 11.016 -0.860) 11.283 4.081 ( -1.206 10.637 0.921) 10.744 4.819 ( -13.396 -6.510 -0.761) 14.913 4.839 ( -12.736 -6.430 0.039) 14.268 7.435 ( 3.324 0.200 -0.016) 3.330 7.442 ( 3.396 0.018 -0.014) 3.396 7.632 ( 2.962 0.304 0.270) 2.990 7.645 ( 3.236 -0.852 -0.196) 3.352 7.848 ( -4.139 1.071 0.104) 4.277 7.869 ( -3.325 -0.207 0.026) 3.332 8.000 ( 2.265 -0.158 -0.400) 2.306 8.016 ( 2.361 -0.320 -0.010) 2.383 8.806 ( 5.011 2.043 -0.216) 5.416 8.817 ( 5.490 2.086 0.187) 5.876 8.851 ( 1.383 -0.444 -1.526) 2.107 8.922 ( -0.596 -0.414 1.222) 1.421 8.980 ( 1.270 0.574 -0.056) 1.394 8.987 ( 1.729 -0.040 -0.166) 1.738 9.054 ( 5.245 -1.631 -0.485) 5.515 9.087 ( 3.836 -2.174 0.609) 4.451 9.173 ( -1.043 -0.014 -0.053) 1.045 9.181 ( -0.574 0.044 0.380) 0.690 9.223 ( -1.989 0.294 -1.506) 2.512 9.264 ( -2.413 0.419 0.459) 2.492 10.223 ( 6.139 0.121 -0.169) 6.142 10.230 ( 4.934 -0.128 -0.238) 4.941 10.486 ( -4.932 -0.138 -2.148) 5.381 10.578 ( -5.508 0.173 1.424) 5.692 ======================= Grid point 220 (88/171) ======================= q-point: (-0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( 16.939 0.000 -3.772) 17.354 1.153 ( 19.625 -0.000 0.221) 19.626 1.175 ( 13.795 -0.000 0.261) 13.797 1.273 ( 15.364 -0.000 3.590) 15.778 2.118 ( 18.921 -0.000 -0.500) 18.928 2.143 ( 1.746 -0.000 0.508) 1.819 2.155 ( 8.331 -0.000 0.787) 8.368 2.177 ( -0.612 -0.000 1.106) 1.265 2.208 ( 11.880 0.000 -2.399) 12.120 2.280 ( -1.080 0.000 -0.238) 1.106 2.564 ( -4.861 0.000 -4.228) 6.443 2.581 ( -2.539 0.000 -0.651) 2.621 2.637 ( -15.556 0.000 -0.146) 15.557 2.720 ( -8.795 0.000 1.621) 8.943 2.783 ( -9.681 0.000 -0.811) 9.715 2.846 ( -10.562 0.000 0.305) 10.566 2.959 ( 0.732 0.000 -2.336) 2.448 3.021 ( 5.488 -0.000 -0.073) 5.488 3.089 ( 3.852 0.000 -3.444) 5.167 3.111 ( 6.620 -0.000 1.227) 6.733 3.344 ( -4.997 -0.000 3.414) 6.052 3.430 ( -3.877 -0.000 3.802) 5.431 3.525 ( -7.588 0.000 -0.324) 7.595 3.555 ( -5.703 0.000 -0.490) 5.724 3.653 ( -14.594 0.000 -2.447) 14.798 3.663 ( -15.884 0.000 -1.507) 15.955 4.140 ( -4.402 0.000 -0.255) 4.410 4.168 ( -2.997 0.000 0.497) 3.038 5.025 ( -14.609 0.000 -0.467) 14.617 5.036 ( -13.579 0.000 -0.165) 13.580 7.377 ( 3.441 -0.000 -0.093) 3.443 7.382 ( 3.656 -0.000 0.043) 3.656 7.569 ( 4.815 -0.000 -0.081) 4.816 7.578 ( 4.562 -0.000 0.172) 4.565 7.912 ( -1.834 0.000 -0.094) 1.836 7.918 ( -3.339 0.000 0.118) 3.341 7.954 ( 2.700 -0.000 -0.370) 2.725 7.970 ( 2.696 -0.000 0.116) 2.699 8.720 ( 6.255 -0.000 0.004) 6.255 8.723 ( 6.816 -0.000 0.094) 6.817 8.807 ( 2.915 0.000 -2.110) 3.598 8.907 ( 3.803 -0.000 0.673) 3.862 8.932 ( 5.864 -0.000 -0.200) 5.867 8.956 ( 1.845 -0.000 0.011) 1.845 8.960 ( 3.364 0.000 -0.785) 3.454 9.024 ( 1.987 -0.000 1.909) 2.755 9.187 ( -0.156 -0.000 0.053) 0.165 9.191 ( -1.059 0.000 0.101) 1.064 9.249 ( -1.564 0.000 -1.391) 2.093 9.300 ( -1.422 -0.000 0.452) 1.492 10.116 ( 6.312 -0.000 -0.589) 6.340 10.143 ( 5.035 -0.000 0.151) 5.037 10.567 ( -5.504 0.000 -1.779) 5.784 10.676 ( -5.263 -0.000 1.371) 5.438 ======================= Grid point 225 (89/171) ======================= q-point: ( 0.30 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.491 ( 0.000 16.415 5.102) 17.189 0.621 ( 0.000 13.581 3.129) 13.936 1.038 ( 0.000 7.610 -2.580) 8.036 1.110 ( -0.000 -5.733 -4.150) 7.077 1.338 ( 0.000 33.997 1.667) 34.037 1.450 ( 0.000 25.614 0.684) 25.623 2.138 ( 0.000 0.939 0.545) 1.086 2.218 ( -0.000 -2.064 -0.979) 2.284 2.241 ( 0.000 1.968 1.571) 2.518 2.329 ( 0.000 0.032 1.446) 1.446 2.524 ( -0.000 -3.780 -0.556) 3.820 2.601 ( -0.000 -5.455 -0.011) 5.455 2.708 ( 0.000 4.680 -1.087) 4.805 2.724 ( 0.000 5.791 -0.634) 5.826 2.835 ( -0.000 -2.669 -8.563) 8.969 2.872 ( -0.000 -4.504 -2.294) 5.055 3.071 ( 0.000 0.248 1.710) 1.728 3.093 ( 0.000 -0.337 8.075) 8.082 3.345 ( -0.000 -14.111 -1.515) 14.192 3.348 ( -0.000 -16.583 -0.977) 16.612 3.430 ( 0.000 -3.980 3.384) 5.224 3.479 ( -0.000 -3.280 1.581) 3.641 3.715 ( -0.000 -4.317 -1.415) 4.543 3.771 ( -0.000 -3.362 -1.313) 3.609 4.111 ( -0.000 -10.997 0.150) 10.998 4.131 ( -0.000 -10.966 -0.098) 10.967 4.242 ( -0.000 -5.426 -0.143) 5.428 4.247 ( -0.000 -6.233 -0.244) 6.238 5.351 ( -0.000 -12.417 0.357) 12.422 5.410 ( -0.000 -12.490 -0.389) 12.496 7.323 ( 0.000 2.096 0.126) 2.100 7.340 ( 0.000 1.923 -0.086) 1.925 7.377 ( 0.000 6.023 0.274) 6.030 7.417 ( 0.000 6.746 -0.198) 6.749 7.849 ( -0.000 -0.361 0.138) 0.386 7.878 ( -0.000 0.374 -0.291) 0.473 7.930 ( 0.000 1.292 0.556) 1.407 8.014 ( -0.000 0.604 -0.589) 0.843 8.541 ( 0.000 5.093 0.590) 5.127 8.592 ( 0.000 4.303 -0.250) 4.310 8.661 ( 0.000 10.773 0.054) 10.773 8.670 ( 0.000 9.949 -0.162) 9.950 8.789 ( 0.000 1.687 2.269) 2.828 8.836 ( 0.000 1.296 0.109) 1.300 8.881 ( 0.000 1.800 0.186) 1.810 9.094 ( -0.000 -1.115 -1.516) 1.881 9.162 ( 0.000 0.122 0.219) 0.250 9.241 ( -0.000 -0.632 -0.728) 0.964 9.256 ( 0.000 0.495 0.776) 0.920 9.329 ( -0.000 -0.379 -0.345) 0.512 9.933 ( 0.000 3.445 0.704) 3.517 10.037 ( 0.000 3.764 -0.626) 3.816 10.710 ( -0.000 -4.670 0.488) 4.696 10.809 ( -0.000 -3.406 -0.835) 3.507 ======================= Grid point 226 (90/171) ======================= q-point: ( 0.40 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.703 ( -4.018 17.239 1.273) 17.747 0.797 ( -4.918 13.296 4.574) 14.896 1.024 ( 3.898 2.420 -3.573) 5.815 1.144 ( -4.008 8.708 -2.052) 9.803 1.740 ( -9.799 28.634 0.458) 30.268 1.751 ( -6.846 23.574 0.177) 24.548 2.137 ( 1.356 1.248 1.043) 2.117 2.200 ( -0.460 -2.224 -0.231) 2.283 2.265 ( 0.499 2.033 2.052) 2.931 2.357 ( -2.448 -0.246 0.905) 2.622 2.489 ( 1.147 -2.331 -1.374) 2.939 2.541 ( 0.506 -5.994 1.347) 6.164 2.669 ( 3.153 0.149 -3.050) 4.389 2.747 ( 1.046 0.516 -0.215) 1.186 2.845 ( -3.491 3.641 -3.852) 6.347 2.896 ( -4.473 1.077 -3.032) 5.510 3.051 ( 3.383 -7.617 1.070) 8.403 3.092 ( 3.391 -6.138 3.862) 8.006 3.141 ( 3.262 -11.663 0.289) 12.114 3.160 ( 3.747 -8.644 1.239) 9.503 3.399 ( 1.077 -3.931 2.269) 4.665 3.458 ( 0.021 -3.808 2.560) 4.589 3.652 ( 1.496 -4.430 -2.093) 5.123 3.720 ( 1.727 -2.989 -1.567) 3.791 3.915 ( 8.245 -14.034 0.135) 16.277 3.935 ( 8.035 -13.951 -0.207) 16.101 4.206 ( -1.676 -6.548 -0.258) 6.764 4.214 ( -2.131 -5.465 -0.334) 5.875 5.195 ( 4.704 -12.406 0.228) 13.270 5.253 ( 4.226 -12.524 -0.204) 13.219 7.366 ( -2.428 2.182 0.128) 3.267 7.380 ( -2.517 1.993 -0.085) 3.211 7.442 ( -0.639 6.152 0.389) 6.197 7.482 ( -0.140 6.810 -0.329) 6.819 7.839 ( 0.560 -0.924 0.281) 1.117 7.874 ( 0.526 -0.471 -0.345) 0.786 7.959 ( -1.453 1.487 0.558) 2.153 8.021 ( -0.536 0.699 -0.699) 1.124 8.613 ( -2.267 5.584 0.501) 6.047 8.652 ( -1.919 4.994 -0.338) 5.360 8.778 ( -1.405 8.639 0.605) 8.773 8.784 ( -2.323 8.493 -0.025) 8.805 8.828 ( -1.891 3.028 1.347) 3.816 8.864 ( -1.875 1.851 0.026) 2.635 8.906 ( -0.523 2.244 0.561) 2.371 9.071 ( 0.619 -0.767 -2.130) 2.347 9.166 ( -0.243 -0.057 0.325) 0.410 9.226 ( 0.542 -0.536 -0.673) 1.017 9.264 ( -0.116 -0.326 0.924) 0.986 9.318 ( 0.477 -0.778 -0.296) 0.960 9.990 ( -1.917 4.323 1.016) 4.837 10.085 ( -1.418 4.598 -0.830) 4.883 10.652 ( 1.630 -4.941 0.943) 5.288 10.757 ( 1.358 -4.226 -1.163) 4.588 ======================= Grid point 227 (91/171) ======================= q-point: ( 0.50 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( -7.161 14.418 -3.467) 16.468 1.026 ( -2.429 14.522 -1.132) 14.768 1.115 ( -9.352 14.065 4.683) 17.528 1.306 ( -4.294 11.234 -0.980) 12.066 2.077 ( -8.189 12.156 -0.745) 14.676 2.141 ( -10.705 15.331 -0.736) 18.713 2.145 ( -2.016 5.737 0.476) 6.099 2.187 ( -0.429 -1.083 0.549) 1.288 2.268 ( 2.437 1.300 1.596) 3.190 2.406 ( 1.405 3.612 -0.795) 3.957 2.406 ( 1.265 -3.360 0.073) 3.591 2.486 ( 0.365 -5.327 1.614) 5.578 2.632 ( -0.728 -6.342 -2.194) 6.750 2.705 ( 1.936 -6.188 0.959) 6.555 2.772 ( 7.777 -13.761 -0.728) 15.823 2.841 ( 6.817 -13.808 0.878) 15.424 2.978 ( -2.655 6.967 -2.669) 7.919 3.007 ( -4.716 6.267 -1.130) 7.924 3.114 ( 0.230 2.812 3.548) 4.533 3.145 ( -0.552 1.812 0.740) 2.033 3.341 ( 2.080 -4.066 1.710) 4.877 3.424 ( 1.058 -3.681 3.111) 4.934 3.562 ( 4.294 -7.468 -2.864) 9.078 3.592 ( 8.067 -15.870 0.113) 17.803 3.639 ( 7.585 -10.340 0.425) 12.831 3.695 ( 3.438 -3.800 -1.990) 5.497 4.155 ( 2.682 -3.208 0.059) 4.182 4.183 ( 1.852 -2.194 -0.660) 2.946 4.982 ( 5.643 -13.245 -0.307) 14.401 5.049 ( 5.338 -13.116 0.282) 14.163 7.431 ( -2.269 2.436 0.064) 3.329 7.445 ( -2.513 2.138 -0.113) 3.301 7.519 ( -2.300 5.091 0.341) 5.597 7.549 ( -1.199 5.585 -0.207) 5.716 7.818 ( 0.528 -1.722 0.375) 1.840 7.847 ( 1.251 -1.695 -0.443) 2.152 8.001 ( -1.476 1.366 0.429) 2.057 8.038 ( -0.743 0.923 -0.565) 1.313 8.714 ( -2.746 5.894 0.223) 6.506 8.737 ( -2.236 5.486 -0.261) 5.930 8.841 ( -0.937 2.049 1.301) 2.602 8.860 ( -1.077 1.850 0.362) 2.171 8.922 ( -1.864 4.213 0.426) 4.627 8.949 ( -3.178 4.352 -0.287) 5.397 8.963 ( -4.035 5.395 0.290) 6.743 9.048 ( 0.527 -0.140 -2.107) 2.177 9.168 ( -0.049 -0.315 0.203) 0.378 9.211 ( 0.539 -0.286 -0.373) 0.715 9.256 ( 0.614 -1.451 0.946) 1.838 9.295 ( 0.941 -1.504 -0.332) 1.805 10.081 ( -3.213 4.893 0.940) 5.929 10.162 ( -2.615 5.205 -0.782) 5.877 10.575 ( 2.582 -4.846 1.351) 5.655 10.677 ( 2.496 -4.825 -1.416) 5.614 ======================= Grid point 228 (92/171) ======================= q-point: ( 0.60 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( -8.203 15.894 -2.643) 18.080 1.225 ( -8.497 13.859 -2.088) 16.390 1.454 ( -3.429 12.346 1.163) 12.866 1.487 ( -10.539 15.358 2.970) 18.861 2.106 ( 3.180 -1.611 -1.250) 3.778 2.155 ( 0.732 -3.019 0.466) 3.141 2.192 ( 6.933 -2.744 0.629) 7.482 2.278 ( 5.696 -1.880 0.940) 6.071 2.321 ( -0.064 -1.021 -1.467) 1.788 2.369 ( -0.063 2.662 -2.740) 3.821 2.423 ( 3.310 -2.778 1.142) 4.470 2.494 ( -4.177 -2.691 2.034) 5.369 2.545 ( -2.674 -4.575 -0.976) 5.388 2.578 ( -9.915 -0.099 -0.876) 9.954 2.659 ( -2.046 -5.549 0.004) 5.915 2.739 ( -2.160 -5.346 0.903) 5.836 3.000 ( 4.133 -1.037 1.384) 4.480 3.087 ( -0.103 0.121 0.191) 0.249 3.176 ( 0.496 -0.439 -1.836) 1.952 3.249 ( 3.831 -7.749 0.860) 8.686 3.267 ( -3.480 4.801 0.800) 5.983 3.310 ( 5.678 -9.665 -0.630) 11.227 3.326 ( 2.488 -4.203 0.749) 4.941 3.397 ( 0.210 -2.004 2.424) 3.152 3.573 ( -0.581 2.715 -1.709) 3.260 3.661 ( -0.051 1.568 -1.677) 2.297 4.047 ( 10.846 3.702 0.423) 11.469 4.090 ( 10.461 4.383 -0.917) 11.380 4.793 ( -0.484 -15.351 -0.469) 15.366 4.859 ( 0.752 -15.124 0.229) 15.145 7.474 ( 0.066 2.443 0.147) 2.448 7.487 ( -0.024 2.064 -0.250) 2.079 7.614 ( -3.886 3.371 0.055) 5.144 7.623 ( -1.991 3.814 0.192) 4.307 7.793 ( 0.454 -2.450 -0.258) 2.505 7.808 ( 0.222 -2.171 0.174) 2.189 8.029 ( -0.353 0.809 0.065) 0.885 8.052 ( -0.013 0.799 -0.285) 0.848 8.801 ( -0.801 5.630 -0.245) 5.692 8.816 ( -0.847 5.476 0.106) 5.542 8.869 ( -0.410 0.566 0.297) 0.759 8.888 ( -1.288 0.238 0.582) 1.433 8.962 ( -0.343 2.082 0.806) 2.259 9.021 ( 0.587 0.559 -1.520) 1.723 9.055 ( -3.923 3.723 -0.604) 5.442 9.091 ( -4.470 2.712 0.194) 5.232 9.164 ( 0.022 -0.532 -0.124) 0.546 9.200 ( 0.554 0.004 0.011) 0.554 9.222 ( 1.614 -2.438 0.776) 3.025 9.256 ( 1.542 -2.137 -0.430) 2.670 10.186 ( -3.263 4.840 0.276) 5.844 10.256 ( -2.573 5.298 -0.424) 5.905 10.492 ( 2.489 -4.655 1.351) 5.448 10.579 ( 2.760 -4.929 -1.439) 5.830 ======================= Grid point 229 (93/171) ======================= q-point: (-0.30 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( 0.478 11.163 -0.993) 11.217 1.505 ( 7.066 11.210 -0.303) 13.255 1.525 ( -1.388 7.666 -2.103) 8.070 1.782 ( -0.508 6.676 2.796) 7.256 1.917 ( 0.697 -5.959 -2.471) 6.489 2.099 ( -2.611 -1.172 0.740) 2.956 2.140 ( 1.835 2.874 0.443) 3.439 2.220 ( 1.192 -1.991 2.881) 3.699 2.252 ( 3.374 -1.323 0.648) 3.681 2.265 ( 1.820 -1.672 -0.191) 2.479 2.417 ( -2.824 0.544 -2.575) 3.860 2.479 ( -1.752 -0.293 -3.180) 3.643 2.658 ( -3.176 -5.126 2.052) 6.370 2.714 ( -4.259 -6.901 1.203) 8.198 2.754 ( -5.612 -6.641 -0.485) 8.708 2.811 ( -5.381 -2.887 -0.751) 6.152 2.830 ( 0.318 -3.837 -1.522) 4.141 2.959 ( 1.887 -9.295 -1.434) 9.592 3.132 ( -1.855 -0.681 -0.025) 1.976 3.135 ( -2.237 0.584 0.158) 2.318 3.248 ( -0.806 -3.090 2.352) 3.966 3.326 ( -0.198 -0.465 1.433) 1.520 3.365 ( -0.650 -0.603 -0.860) 1.235 3.407 ( 0.066 0.576 -0.472) 0.748 3.651 ( -0.019 3.328 -1.082) 3.500 3.666 ( 4.459 1.344 -0.853) 4.735 3.928 ( 9.766 14.584 -0.746) 17.568 3.983 ( 8.671 15.942 0.303) 18.150 4.728 ( -8.792 -14.012 -0.561) 16.552 4.770 ( -7.334 -14.244 0.051) 16.021 7.474 ( 2.059 1.299 0.195) 2.442 7.483 ( 2.092 1.146 -0.245) 2.398 7.660 ( 0.776 1.417 0.536) 1.703 7.682 ( 0.049 0.814 -0.498) 0.956 7.779 ( -2.692 -0.736 -0.048) 2.791 7.819 ( -2.995 -1.040 0.198) 3.177 8.027 ( 1.085 0.178 -0.239) 1.125 8.046 ( 1.289 0.283 -0.102) 1.324 8.836 ( 2.214 4.248 -0.324) 4.801 8.854 ( 2.364 4.367 0.177) 4.969 8.868 ( 0.662 -0.179 -0.511) 0.855 8.913 ( -1.310 -0.258 0.805) 1.558 8.983 ( 0.272 1.440 0.332) 1.502 9.006 ( 1.009 0.360 -0.870) 1.380 9.130 ( -0.840 0.646 -0.167) 1.073 9.148 ( -0.199 -1.870 0.186) 1.890 9.157 ( 0.211 -1.647 -0.080) 1.663 9.169 ( 0.289 -0.764 0.094) 0.822 9.202 ( 0.074 0.097 -0.264) 0.291 9.221 ( -0.962 0.225 -0.079) 0.991 10.262 ( -0.105 3.420 -0.240) 3.430 10.300 ( 3.122 2.421 -0.071) 3.951 10.439 ( -0.978 -3.115 -0.440) 3.294 10.517 ( -1.932 -2.526 -0.018) 3.181 ======================= Grid point 230 (94/171) ======================= q-point: (-0.20 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( 19.686 -0.146 -3.126) 19.933 1.374 ( 9.867 4.550 0.031) 10.866 1.396 ( 13.337 2.779 -0.097) 13.624 1.592 ( 18.761 -1.675 2.146) 18.958 2.102 ( -8.692 2.661 0.228) 9.093 2.137 ( 0.428 0.799 -0.301) 0.955 2.174 ( -2.460 0.247 -0.148) 2.477 2.230 ( -1.473 -0.069 1.852) 2.367 2.301 ( -11.381 2.909 -1.052) 11.794 2.411 ( -12.916 4.026 1.671) 13.632 2.445 ( 5.896 -3.436 -0.504) 6.842 2.483 ( 2.344 -6.210 -0.821) 6.688 2.525 ( 0.265 -0.431 -2.686) 2.733 2.582 ( 6.059 -6.346 -2.150) 9.034 2.723 ( -2.191 -1.653 1.686) 3.221 2.752 ( -3.665 -2.805 1.572) 4.875 2.925 ( -3.412 -0.050 -3.088) 4.603 3.016 ( -3.526 -1.076 -4.473) 5.796 3.223 ( 4.383 0.320 1.758) 4.733 3.268 ( -6.076 0.066 0.019) 6.076 3.284 ( 3.463 -1.045 0.757) 3.696 3.324 ( -15.051 -0.215 0.971) 15.083 3.333 ( -3.672 -0.645 1.959) 4.211 3.394 ( -2.125 -0.006 2.144) 3.019 3.564 ( 3.260 0.449 -1.863) 3.782 3.581 ( 3.097 -1.172 -2.838) 4.361 4.029 ( -2.460 11.159 -0.530) 11.439 4.087 ( -1.103 10.692 0.576) 10.764 4.813 ( -13.486 -6.586 -0.543) 15.019 4.839 ( -12.694 -6.493 -0.038) 14.259 7.435 ( 3.324 0.049 -0.011) 3.324 7.442 ( 3.408 0.179 -0.013) 3.413 7.635 ( 3.032 -0.001 0.302) 3.047 7.644 ( 3.132 -0.525 -0.243) 3.185 7.849 ( -4.314 0.779 0.090) 4.385 7.870 ( -3.083 0.111 0.016) 3.085 7.997 ( 2.214 -0.309 -0.296) 2.255 8.015 ( 2.351 -0.249 -0.036) 2.364 8.805 ( 4.893 2.008 -0.149) 5.291 8.819 ( 5.527 2.105 0.117) 5.916 8.841 ( 1.764 -0.486 -1.001) 2.086 8.930 ( -0.641 -0.433 0.729) 1.063 8.980 ( 1.216 0.452 -0.071) 1.299 8.986 ( 1.595 0.220 -0.083) 1.612 9.050 ( 5.482 -1.935 -0.387) 5.827 9.092 ( 3.562 -1.999 0.574) 4.125 9.173 ( -1.091 -0.011 -0.026) 1.092 9.185 ( -0.487 0.065 0.536) 0.727 9.211 ( -1.944 0.212 -1.446) 2.431 9.267 ( -2.462 0.455 0.274) 2.519 10.222 ( 6.310 -0.044 -0.128) 6.311 10.228 ( 4.846 0.007 -0.196) 4.850 10.472 ( -4.896 -0.257 -1.455) 5.114 10.587 ( -5.656 0.230 0.866) 5.726 ======================= Grid point 231 (95/171) ======================= q-point: (-0.10 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( 16.425 -0.000 -2.039) 16.551 1.154 ( 19.489 -0.000 0.093) 19.489 1.177 ( 13.444 -0.000 0.179) 13.445 1.296 ( 15.350 -0.000 1.961) 15.475 2.115 ( 19.661 -0.000 -0.281) 19.663 2.148 ( -0.053 -0.000 0.754) 0.756 2.160 ( 5.424 -0.000 0.361) 5.436 2.185 ( -0.969 -0.000 0.690) 1.190 2.192 ( 18.026 -0.000 -1.604) 18.097 2.277 ( -1.107 0.000 -0.329) 1.155 2.535 ( -5.048 0.000 -2.654) 5.704 2.578 ( -1.693 0.000 -0.240) 1.710 2.635 ( -18.006 0.000 -0.261) 18.008 2.730 ( -10.421 0.000 0.990) 10.468 2.779 ( -7.557 0.000 -0.282) 7.563 2.847 ( -8.908 0.000 0.118) 8.909 2.945 ( -0.915 0.000 -1.220) 1.525 3.019 ( 0.849 0.000 -0.474) 0.972 3.067 ( 7.347 0.000 -1.890) 7.586 3.120 ( 6.943 -0.000 0.818) 6.991 3.367 ( -5.599 -0.000 2.213) 6.020 3.456 ( -4.425 -0.000 2.550) 5.107 3.524 ( -4.144 0.000 0.086) 4.145 3.549 ( -2.814 0.000 -0.881) 2.949 3.635 ( -17.365 0.000 -1.830) 17.462 3.653 ( -18.265 0.000 -0.876) 18.286 4.138 ( -4.526 0.000 -0.118) 4.528 4.171 ( -2.888 0.000 0.264) 2.900 5.022 ( -14.728 0.000 -0.273) 14.730 5.035 ( -13.524 0.000 -0.117) 13.524 7.377 ( 3.426 -0.000 -0.050) 3.427 7.382 ( 3.678 -0.000 0.020) 3.678 7.568 ( 4.846 -0.000 -0.039) 4.846 7.579 ( 4.555 -0.000 0.094) 4.556 7.911 ( -1.669 0.000 -0.050) 1.669 7.919 ( -3.453 0.000 0.069) 3.453 7.952 ( 2.655 -0.000 -0.213) 2.664 7.971 ( 2.638 -0.000 0.053) 2.638 8.720 ( 6.180 -0.000 0.009) 6.180 8.723 ( 6.852 -0.000 0.054) 6.852 8.794 ( 3.195 0.000 -1.161) 3.400 8.911 ( 3.975 -0.000 0.303) 3.987 8.931 ( 6.599 -0.000 -0.025) 6.599 8.955 ( 2.792 -0.000 -0.499) 2.836 8.956 ( 1.891 -0.000 -0.052) 1.892 9.037 ( 1.374 -0.000 1.176) 1.808 9.188 ( 0.022 -0.000 0.083) 0.086 9.192 ( -1.114 0.000 0.055) 1.115 9.239 ( -1.677 0.000 -0.910) 1.908 9.303 ( -1.451 0.000 0.229) 1.469 10.113 ( 6.409 -0.000 -0.326) 6.417 10.144 ( 4.909 -0.000 0.056) 4.909 10.556 ( -5.606 0.000 -0.958) 5.688 10.684 ( -5.324 0.000 0.706) 5.371 ======================= Grid point 232 (96/171) ======================= q-point: ( 0.00 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( 16.245 -0.000 0.000) 16.245 1.154 ( 19.448 -0.000 0.000) 19.448 1.178 ( 13.306 -0.000 0.000) 13.306 1.304 ( 15.313 -0.000 0.000) 15.313 2.114 ( 19.926 -0.000 0.000) 19.926 2.153 ( -1.660 0.000 -0.000) 1.660 2.160 ( 2.419 -0.000 0.000) 2.419 2.185 ( 23.220 -0.000 0.000) 23.220 2.188 ( -1.139 0.000 -0.000) 1.139 2.276 ( -1.048 0.000 -0.000) 1.048 2.524 ( -5.220 0.000 -0.000) 5.220 2.577 ( -1.397 0.000 -0.000) 1.397 2.634 ( -18.805 0.000 -0.000) 18.805 2.734 ( -11.126 0.000 -0.000) 11.126 2.778 ( -6.800 0.000 -0.000) 6.800 2.848 ( -8.223 0.000 -0.000) 8.223 2.940 ( -1.452 0.000 -0.000) 1.452 3.016 ( -1.472 0.000 -0.000) 1.472 3.060 ( 9.266 -0.000 0.000) 9.266 3.123 ( 6.982 -0.000 0.000) 6.982 3.376 ( -6.029 0.000 -0.000) 6.029 3.467 ( -4.900 0.000 -0.000) 4.900 3.525 ( -2.061 0.000 -0.000) 2.061 3.544 ( -1.387 0.000 -0.000) 1.387 3.628 ( -19.001 0.000 -0.000) 19.001 3.649 ( -19.237 0.000 -0.000) 19.237 4.138 ( -4.569 0.000 -0.000) 4.569 4.172 ( -2.851 0.000 -0.000) 2.851 5.021 ( -14.769 0.000 -0.000) 14.769 5.034 ( -13.506 0.000 -0.000) 13.506 7.376 ( 3.421 -0.000 0.000) 3.421 7.382 ( 3.685 -0.000 0.000) 3.685 7.568 ( 4.857 -0.000 0.000) 4.857 7.579 ( 4.553 -0.000 0.000) 4.553 7.911 ( -1.610 0.000 -0.000) 1.610 7.919 ( -3.493 0.000 -0.000) 3.493 7.951 ( 2.641 -0.000 0.000) 2.641 7.971 ( 2.615 -0.000 0.000) 2.615 8.720 ( 6.152 -0.000 0.000) 6.152 8.724 ( 6.864 -0.000 0.000) 6.864 8.789 ( 3.303 -0.000 0.000) 3.303 8.912 ( 4.024 -0.000 0.000) 4.024 8.931 ( 6.959 -0.000 0.000) 6.959 8.953 ( 2.480 -0.000 0.000) 2.480 8.955 ( 1.906 -0.000 0.000) 1.906 9.042 ( 1.170 -0.000 0.000) 1.170 9.188 ( 0.108 -0.000 0.000) 0.108 9.192 ( -1.132 0.000 -0.000) 1.132 9.235 ( -1.739 0.000 -0.000) 1.739 9.304 ( -1.463 0.000 -0.000) 1.463 10.111 ( 6.441 -0.000 0.000) 6.441 10.144 ( 4.865 -0.000 0.000) 4.865 10.552 ( -5.645 0.000 -0.000) 5.645 10.687 ( -5.349 0.000 -0.000) 5.349 ======================= Grid point 236 (97/171) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.548 ( 0.000 13.721 8.866) 16.336 0.657 ( 0.000 12.735 5.667) 13.939 1.009 ( 0.000 8.009 -4.737) 9.305 1.064 ( -0.000 -3.337 -7.344) 8.067 1.357 ( 0.000 32.664 2.845) 32.788 1.455 ( 0.000 24.627 0.542) 24.633 2.144 ( 0.000 1.047 0.909) 1.387 2.208 ( -0.000 -1.244 -1.478) 1.932 2.260 ( 0.000 2.088 3.170) 3.796 2.344 ( 0.000 -0.643 2.268) 2.358 2.517 ( -0.000 -3.638 -1.091) 3.798 2.598 ( -0.000 -3.252 -1.230) 3.477 2.689 ( -0.000 4.130 -3.824) 5.628 2.717 ( 0.000 5.296 -1.234) 5.438 2.777 ( -0.000 -2.084 -4.802) 5.235 2.848 ( -0.000 -4.239 -3.471) 5.479 3.089 ( 0.000 0.315 2.717) 2.736 3.153 ( 0.000 -1.445 6.066) 6.236 3.333 ( -0.000 -13.060 -1.345) 13.129 3.337 ( -0.000 -16.001 -1.504) 16.072 3.464 ( 0.000 -5.021 4.802) 6.948 3.500 ( 0.000 -3.641 3.772) 5.243 3.698 ( -0.000 -4.279 -2.708) 5.064 3.756 ( -0.000 -3.356 -2.641) 4.271 4.113 ( -0.000 -10.974 0.281) 10.977 4.130 ( -0.000 -10.947 -0.197) 10.948 4.241 ( -0.000 -5.591 -0.230) 5.596 4.245 ( -0.000 -6.300 -0.396) 6.312 5.355 ( -0.000 -12.387 0.688) 12.406 5.406 ( -0.000 -12.452 -0.739) 12.474 7.324 ( 0.000 2.092 0.235) 2.105 7.339 ( 0.000 1.946 -0.169) 1.953 7.380 ( 0.000 6.065 0.520) 6.087 7.415 ( 0.000 6.657 -0.415) 6.670 7.850 ( 0.000 -0.273 0.272) 0.386 7.875 ( -0.000 0.407 -0.487) 0.635 7.937 ( 0.000 1.154 1.014) 1.536 8.007 ( -0.000 0.631 -1.090) 1.260 8.547 ( 0.000 4.919 0.932) 5.007 8.589 ( 0.000 4.405 -0.483) 4.432 8.662 ( 0.000 10.648 0.100) 10.648 8.669 ( 0.000 9.961 -0.185) 9.963 8.812 ( 0.000 0.685 3.299) 3.369 8.838 ( 0.000 1.285 0.212) 1.303 8.885 ( 0.000 1.959 0.928) 2.167 9.076 ( -0.000 -1.114 -2.902) 3.108 9.165 ( 0.000 0.070 0.634) 0.637 9.233 ( -0.000 -0.559 -1.291) 1.407 9.264 ( 0.000 0.580 1.247) 1.375 9.325 ( -0.000 -0.136 -0.700) 0.713 9.942 ( 0.000 3.503 1.332) 3.748 10.030 ( 0.000 3.776 -1.200) 3.962 10.715 ( -0.000 -4.507 0.963) 4.609 10.799 ( -0.000 -3.392 -1.507) 3.711 ======================= Grid point 237 (98/171) ======================= q-point: ( 0.50 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.720 ( -1.507 15.103 3.044) 15.480 0.838 ( -4.467 13.112 5.370) 14.856 0.990 ( 2.575 4.257 -4.806) 6.918 1.122 ( -4.592 9.185 -3.297) 10.785 1.744 ( -9.364 27.360 0.544) 28.923 1.752 ( -7.090 23.062 0.217) 24.129 2.147 ( 1.272 1.406 1.208) 2.248 2.197 ( -0.485 -1.431 -0.478) 1.585 2.287 ( 0.964 2.109 3.426) 4.136 2.367 ( -2.174 -0.614 1.594) 2.765 2.474 ( 1.973 -1.541 -2.278) 3.385 2.553 ( 0.418 -5.030 1.602) 5.295 2.639 ( 1.189 -2.068 -4.410) 5.014 2.743 ( -0.431 -1.383 -0.932) 1.723 2.819 ( -3.126 6.503 -2.234) 7.553 2.872 ( -4.279 2.538 -3.053) 5.837 3.060 ( 4.371 -10.546 1.098) 11.469 3.112 ( 5.628 -13.616 1.124) 14.777 3.145 ( 2.095 -3.833 0.595) 4.408 3.175 ( 2.438 -6.315 2.363) 7.170 3.422 ( 1.824 -4.028 3.330) 5.536 3.486 ( 0.205 -3.702 4.436) 5.782 3.631 ( 1.650 -4.186 -3.193) 5.517 3.703 ( 1.314 -2.947 -2.684) 4.197 3.917 ( 8.239 -14.081 0.191) 16.315 3.933 ( 8.112 -14.037 -0.282) 16.215 4.204 ( -1.825 -6.560 -0.279) 6.815 4.211 ( -2.139 -5.681 -0.451) 6.087 5.197 ( 5.012 -12.450 0.312) 13.424 5.251 ( 3.927 -12.438 -0.281) 13.046 7.367 ( -2.376 2.162 0.182) 3.218 7.379 ( -2.523 2.041 -0.129) 3.247 7.446 ( -0.570 6.189 0.590) 6.243 7.478 ( -0.248 6.709 -0.521) 6.734 7.841 ( 0.584 -0.814 0.435) 1.092 7.870 ( 0.496 -0.545 -0.512) 0.897 7.965 ( -1.368 1.388 0.885) 2.140 8.014 ( -0.645 0.767 -1.058) 1.457 8.618 ( -2.127 5.522 0.675) 5.956 8.648 ( -1.923 5.040 -0.473) 5.415 8.781 ( -1.898 9.675 0.185) 9.861 8.785 ( -2.508 8.107 0.338) 8.493 8.841 ( -1.297 1.714 1.691) 2.735 8.864 ( -1.745 1.779 0.046) 2.493 8.914 ( -0.406 2.357 1.425) 2.784 9.050 ( 0.599 -0.462 -3.202) 3.290 9.170 ( -0.180 -0.135 0.635) 0.673 9.219 ( 0.311 -0.502 -1.022) 1.180 9.272 ( -0.008 -0.299 1.237) 1.273 9.315 ( 0.444 -0.676 -0.542) 0.973 10.000 ( -1.802 4.376 1.542) 4.978 10.077 ( -1.508 4.619 -1.311) 5.033 10.662 ( 1.603 -4.788 1.493) 5.266 10.745 ( 1.355 -4.193 -1.761) 4.745 ======================= Grid point 238 (99/171) ======================= q-point: ( 0.60 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( -5.423 15.031 -2.448) 16.166 1.017 ( -2.776 13.410 -1.194) 13.746 1.150 ( -9.890 14.290 4.076) 17.850 1.296 ( -4.759 12.038 -1.311) 13.011 2.074 ( -8.102 11.531 -0.008) 14.093 2.122 ( -9.800 13.965 -2.579) 17.254 2.159 ( -2.400 5.233 1.599) 5.975 2.191 ( -0.452 -0.072 0.358) 0.581 2.285 ( 3.313 1.453 2.613) 4.462 2.391 ( 6.304 2.361 -2.201) 7.083 2.415 ( -4.099 -1.656 1.332) 4.617 2.496 ( 0.901 -5.230 0.624) 5.344 2.617 ( -2.532 -6.375 -1.551) 7.032 2.712 ( 1.126 -7.395 0.685) 7.512 2.766 ( 8.844 -14.275 -0.760) 16.810 2.848 ( 6.473 -13.506 0.936) 15.006 2.960 ( -3.336 8.364 -1.805) 9.184 2.998 ( -5.010 7.695 -1.167) 9.257 3.130 ( 1.186 2.474 0.719) 2.836 3.159 ( -0.017 1.624 2.555) 3.028 3.358 ( 2.477 -4.082 2.474) 5.378 3.451 ( 1.802 -3.592 3.474) 5.312 3.537 ( 4.482 -6.086 -3.323) 8.256 3.594 ( 7.125 -14.986 0.446) 16.600 3.641 ( 7.946 -11.955 0.062) 14.355 3.677 ( 3.339 -4.258 -2.554) 5.984 4.157 ( 2.493 -3.170 0.227) 4.039 4.177 ( 1.872 -2.418 -0.822) 3.167 4.979 ( 5.797 -13.287 -0.284) 14.499 5.051 ( 5.250 -13.078 0.260) 14.095 7.431 ( -2.260 2.446 0.078) 3.331 7.444 ( -2.438 2.183 -0.127) 3.275 7.522 ( -2.177 5.072 0.398) 5.534 7.547 ( -1.412 5.542 -0.265) 5.725 7.821 ( 0.612 -1.691 0.527) 1.874 7.842 ( 1.173 -1.723 -0.595) 2.168 8.005 ( -1.367 1.201 0.600) 1.916 8.033 ( -0.869 1.052 -0.734) 1.549 8.716 ( -2.505 5.909 0.232) 6.423 8.735 ( -2.402 5.468 -0.242) 5.977 8.852 ( -0.778 1.676 1.266) 2.239 8.863 ( -1.128 1.702 0.406) 2.081 8.926 ( -2.555 5.223 0.417) 5.829 8.948 ( -2.838 3.575 0.132) 4.567 8.966 ( -3.423 5.077 0.377) 6.135 9.029 ( 0.305 0.447 -2.596) 2.652 9.170 ( 0.068 -0.457 0.265) 0.532 9.207 ( 0.327 -0.207 -0.426) 0.576 9.264 ( 0.685 -1.465 1.082) 1.946 9.292 ( 0.939 -1.502 -0.524) 1.847 10.090 ( -2.884 4.890 1.156) 5.793 10.155 ( -2.838 5.241 -0.998) 6.043 10.588 ( 2.613 -4.834 1.831) 5.792 10.664 ( 2.470 -4.761 -1.894) 5.688 ======================= Grid point 239 (100/171) ======================= q-point: ( 0.70 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( -11.556 16.290 -2.269) 20.101 1.214 ( -5.546 12.876 -1.075) 14.061 1.461 ( -1.267 13.056 0.620) 13.132 1.509 ( -12.490 15.367 2.243) 19.930 2.096 ( 4.271 -3.069 -1.075) 5.368 2.156 ( 1.324 -2.455 -0.052) 2.790 2.203 ( 7.122 -2.108 1.706) 7.621 2.280 ( 3.832 -0.371 -0.330) 3.864 2.315 ( -0.053 -0.540 -0.120) 0.556 2.347 ( -0.206 1.547 -2.630) 3.059 2.433 ( 2.195 -2.165 1.411) 3.391 2.505 ( 2.104 -6.708 0.719) 7.067 2.540 ( -7.037 -2.990 -0.144) 7.647 2.569 ( -9.447 -0.528 -1.339) 9.556 2.661 ( -3.316 -5.176 0.297) 6.154 2.745 ( -1.678 -5.529 0.549) 5.804 3.010 ( 4.212 -0.491 1.252) 4.421 3.088 ( -0.131 0.074 0.052) 0.159 3.164 ( 1.370 -0.218 -1.204) 1.837 3.256 ( 2.982 -6.302 0.815) 7.020 3.274 ( -1.738 2.192 1.042) 2.985 3.302 ( 4.449 -8.250 -1.081) 9.435 3.330 ( 2.713 -3.364 0.315) 4.333 3.417 ( 1.129 -2.915 2.377) 3.927 3.560 ( -0.722 2.860 -1.465) 3.294 3.647 ( -0.513 1.513 -1.619) 2.274 4.051 ( 10.809 3.546 0.588) 11.391 4.082 ( 10.346 4.372 -0.979) 11.274 4.790 ( -0.451 -15.331 -0.362) 15.342 4.860 ( 0.815 -15.195 0.168) 15.218 7.475 ( 0.052 2.528 0.178) 2.535 7.485 ( 0.014 2.033 -0.261) 2.049 7.615 ( -3.825 3.223 0.049) 5.002 7.624 ( -2.109 3.919 0.153) 4.453 7.791 ( 0.847 -2.554 -0.198) 2.698 7.809 ( -0.160 -2.052 0.128) 2.063 8.029 ( -0.278 0.563 0.079) 0.633 8.050 ( -0.070 0.973 -0.256) 1.009 8.799 ( -0.681 5.599 -0.176) 5.643 8.817 ( -0.956 5.462 0.075) 5.545 8.871 ( -0.094 0.339 0.208) 0.409 8.893 ( -1.461 0.139 0.536) 1.562 8.970 ( -0.149 1.948 1.107) 2.245 9.007 ( 0.479 0.876 -1.724) 1.992 9.051 ( -3.987 3.687 -0.452) 5.449 9.092 ( -4.518 3.002 0.156) 5.426 9.163 ( 0.077 -0.698 -0.123) 0.713 9.200 ( 0.430 0.100 -0.006) 0.442 9.229 ( 1.840 -2.524 0.802) 3.225 9.252 ( 1.455 -2.168 -0.525) 2.663 10.188 ( -2.878 4.832 0.249) 5.629 10.253 ( -2.795 5.250 -0.369) 5.959 10.503 ( 2.732 -4.815 1.523) 5.742 10.567 ( 2.553 -4.781 -1.594) 5.649 ======================= Grid point 240 (101/171) ======================= q-point: (-0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( 0.014 10.863 -0.538) 10.876 1.495 ( 0.976 10.099 -1.495) 10.256 1.520 ( 5.324 8.626 0.150) 10.138 1.799 ( -0.170 6.644 1.494) 6.812 1.902 ( 0.003 -6.107 -1.315) 6.247 2.102 ( -2.325 0.149 0.159) 2.335 2.143 ( 2.181 2.784 0.280) 3.548 2.236 ( 0.138 -0.991 0.979) 1.400 2.259 ( 2.744 -0.991 1.015) 3.089 2.268 ( 3.462 -3.630 0.793) 5.078 2.400 ( -3.281 -0.410 -1.635) 3.689 2.455 ( -1.474 0.575 -2.574) 3.021 2.672 ( -4.801 -7.262 1.210) 8.789 2.724 ( -3.754 -4.689 1.072) 6.102 2.754 ( -4.052 -7.062 0.629) 8.166 2.803 ( -8.865 -1.786 -1.451) 9.158 2.818 ( 2.338 -4.778 -1.218) 5.456 2.950 ( 5.067 -10.345 -0.835) 11.550 3.132 ( -2.432 -0.956 0.006) 2.613 3.136 ( -3.249 1.136 0.103) 3.443 3.271 ( -0.759 -2.323 3.176) 4.007 3.320 ( -0.331 -0.252 -2.320) 2.357 3.370 ( -0.304 -0.335 1.698) 1.757 3.401 ( -0.046 -0.513 -1.012) 1.136 3.644 ( -0.028 3.381 -0.643) 3.442 3.660 ( 4.415 1.286 -0.583) 4.635 3.923 ( 10.266 14.417 -0.409) 17.704 3.985 ( 8.214 16.247 0.141) 18.206 4.724 ( -8.730 -14.043 -0.328) 16.538 4.770 ( -7.367 -14.346 0.015) 16.127 7.476 ( 2.076 1.156 0.227) 2.387 7.481 ( 2.075 1.327 -0.258) 2.476 7.664 ( 0.727 1.465 0.547) 1.724 7.677 ( 0.165 0.672 -0.525) 0.869 7.778 ( -2.920 -0.733 -0.025) 3.011 7.820 ( -2.838 -0.948 0.118) 2.995 8.025 ( 1.073 0.025 -0.141) 1.082 8.046 ( 1.305 0.363 -0.070) 1.357 8.834 ( 2.184 4.216 -0.174) 4.751 8.855 ( 2.289 4.208 0.074) 4.791 8.865 ( 0.942 -0.116 -0.256) 0.983 8.918 ( -1.416 -0.344 0.461) 1.528 8.986 ( 0.473 1.191 0.384) 1.338 8.999 ( 0.828 0.788 -0.724) 1.353 9.129 ( -1.205 0.908 -0.091) 1.511 9.150 ( -0.158 -1.819 0.324) 1.855 9.155 ( -0.036 -1.644 -0.307) 1.673 9.170 ( 0.942 -1.226 0.063) 1.548 9.201 ( 0.356 -0.029 -0.136) 0.382 9.221 ( -1.276 0.409 -0.052) 1.341 10.260 ( 0.034 3.536 -0.149) 3.539 10.300 ( 2.908 2.374 -0.045) 3.754 10.436 ( -0.070 -3.695 -0.264) 3.705 10.517 ( -2.631 -2.136 -0.018) 3.389 ======================= Grid point 241 (102/171) ======================= q-point: (-0.10 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( 19.782 -0.580 -1.129) 19.822 1.374 ( 9.306 4.480 0.015) 10.328 1.396 ( 13.710 3.100 -0.011) 14.056 1.604 ( 18.618 -1.512 0.719) 18.693 2.104 ( -9.141 2.769 0.231) 9.554 2.135 ( 0.234 0.311 -0.195) 0.436 2.173 ( -2.979 0.889 -0.097) 3.111 2.240 ( -1.047 -0.351 0.650) 1.281 2.296 ( -10.458 2.481 -0.370) 10.754 2.421 ( -9.560 3.880 0.633) 10.337 2.443 ( 1.684 -2.979 0.008) 3.422 2.482 ( 1.236 -5.230 0.561) 5.403 2.504 ( -0.377 0.631 -2.124) 2.248 2.570 ( 9.028 -8.545 -0.736) 12.453 2.732 ( -1.688 -2.496 0.665) 3.086 2.761 ( -3.974 -1.741 0.655) 4.388 2.908 ( -3.465 -0.112 -1.076) 3.630 2.990 ( -3.887 -1.342 -1.761) 4.474 3.231 ( 7.177 0.280 0.459) 7.197 3.267 ( -9.452 -0.475 -0.139) 9.465 3.289 ( 8.095 -0.278 0.412) 8.111 3.327 ( -15.199 -0.480 0.172) 15.207 3.348 ( -8.206 -0.490 1.240) 8.313 3.406 ( -3.488 0.488 0.813) 3.615 3.554 ( 4.402 -0.558 -0.230) 4.444 3.561 ( 3.976 -0.783 -1.800) 4.434 4.026 ( -2.554 11.241 -0.178) 11.529 4.090 ( -1.053 10.730 0.195) 10.783 4.810 ( -13.536 -6.632 -0.196) 15.075 4.839 ( -12.674 -6.533 -0.024) 14.259 7.435 ( 3.324 -0.044 -0.004) 3.324 7.442 ( 3.415 0.279 -0.005) 3.427 7.637 ( 3.150 -0.431 0.198) 3.186 7.642 ( 2.993 -0.082 -0.176) 2.999 7.849 ( -4.433 0.586 0.036) 4.472 7.870 ( -2.922 0.322 0.004) 2.939 7.995 ( 2.184 -0.393 -0.108) 2.222 8.015 ( 2.341 -0.216 -0.018) 2.351 8.804 ( 4.830 1.993 -0.053) 5.225 8.819 ( 5.521 2.099 0.036) 5.907 8.836 ( 1.993 -0.500 -0.346) 2.083 8.934 ( -0.624 -0.442 0.239) 0.801 8.979 ( 1.189 0.392 -0.037) 1.253 8.986 ( 1.485 0.367 -0.015) 1.530 9.048 ( 5.626 -2.111 -0.148) 6.011 9.095 ( 3.403 -1.910 0.245) 3.910 9.173 ( -1.115 -0.008 -0.008) 1.115 9.189 ( -0.095 0.088 0.617) 0.630 9.201 ( -2.271 0.157 -0.976) 2.477 9.269 ( -2.488 0.471 0.091) 2.534 10.221 ( 6.426 -0.153 -0.046) 6.428 10.227 ( 4.784 0.099 -0.076) 4.786 10.464 ( -4.887 -0.320 -0.515) 4.925 10.591 ( -5.735 0.254 0.289) 5.748 ======================= Grid point 247 (103/171) ======================= q-point: ( 0.50 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.628 ( 0.000 10.488 10.955) 15.166 0.709 ( 0.000 11.589 7.259) 13.675 0.964 ( -0.000 8.512 -6.335) 10.610 0.996 ( -0.000 -0.600 -9.456) 9.475 1.382 ( 0.000 30.802 3.372) 30.986 1.456 ( 0.000 24.341 -0.344) 24.344 2.152 ( 0.000 1.062 1.095) 1.526 2.196 ( -0.000 -0.469 -1.588) 1.655 2.291 ( 0.000 2.325 4.559) 5.117 2.362 ( 0.000 -0.966 2.232) 2.432 2.507 ( -0.000 -3.326 -1.460) 3.632 2.572 ( -0.000 1.210 -5.392) 5.526 2.663 ( -0.000 -0.245 -1.689) 1.707 2.705 ( 0.000 4.215 -1.738) 4.560 2.759 ( -0.000 -1.009 -0.453) 1.106 2.820 ( -0.000 -3.631 -3.528) 5.062 3.112 ( 0.000 0.340 3.193) 3.211 3.184 ( 0.000 -1.090 1.732) 2.047 3.325 ( -0.000 -12.900 -0.827) 12.926 3.326 ( -0.000 -15.512 -1.140) 15.554 3.505 ( 0.000 -5.235 5.396) 7.518 3.538 ( 0.000 -4.017 5.712) 6.984 3.673 ( -0.000 -4.257 -3.722) 5.655 3.729 ( -0.000 -3.398 -3.957) 5.216 4.115 ( -0.000 -10.943 0.378) 10.949 4.128 ( -0.000 -10.922 -0.293) 10.926 4.239 ( -0.000 -5.823 -0.222) 5.827 4.241 ( -0.000 -6.358 -0.404) 6.371 5.362 ( -0.000 -12.354 0.964) 12.391 5.399 ( -0.000 -12.403 -1.013) 12.444 7.327 ( 0.000 2.083 0.313) 2.107 7.337 ( 0.000 1.977 -0.246) 1.992 7.385 ( 0.000 6.132 0.713) 6.173 7.410 ( 0.000 6.545 -0.626) 6.575 7.853 ( 0.000 -0.140 0.396) 0.420 7.870 ( -0.000 0.392 -0.584) 0.703 7.946 ( 0.000 1.005 1.354) 1.686 7.997 ( -0.000 0.668 -1.451) 1.597 8.555 ( 0.000 4.791 1.037) 4.902 8.584 ( 0.000 4.526 -0.683) 4.577 8.663 ( 0.000 10.486 0.129) 10.487 8.667 ( 0.000 10.007 -0.150) 10.008 8.835 ( 0.000 0.092 2.020) 2.023 8.840 ( 0.000 1.243 0.291) 1.277 8.900 ( 0.000 1.595 3.099) 3.485 9.049 ( -0.000 -1.055 -3.992) 4.129 9.172 ( 0.000 -0.008 1.071) 1.071 9.221 ( -0.000 -0.455 -1.618) 1.681 9.275 ( 0.000 0.663 1.439) 1.584 9.318 ( -0.000 0.169 -1.024) 1.038 9.954 ( 0.000 3.580 1.811) 4.012 10.018 ( 0.000 3.781 -1.674) 4.135 10.725 ( -0.000 -4.269 1.401) 4.493 10.785 ( -0.000 -3.428 -1.927) 3.932 ======================= Grid point 248 (104/171) ======================= q-point: ( 0.60 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.750 ( 1.043 12.607 4.191) 13.327 0.876 ( -1.701 12.167 3.483) 12.770 0.953 ( -0.818 6.842 -3.576) 7.763 1.093 ( -5.500 9.996 -3.821) 12.032 1.748 ( -8.796 25.689 0.400) 27.156 1.754 ( -7.480 23.005 0.196) 24.191 2.155 ( 1.147 1.337 0.980) 2.016 2.193 ( -0.504 -0.624 -0.581) 0.990 2.318 ( 1.617 2.284 4.297) 5.128 2.381 ( -1.726 -0.509 1.665) 2.452 2.453 ( 2.706 -0.849 -2.993) 4.123 2.564 ( -0.379 -3.495 0.855) 3.618 2.605 ( -0.035 -4.362 -3.656) 5.691 2.733 ( -2.819 -3.008 -1.326) 4.331 2.810 ( -2.201 7.428 -0.120) 7.749 2.849 ( -3.625 4.397 -2.646) 6.283 3.068 ( 5.468 -13.197 0.860) 14.311 3.115 ( 5.495 -16.748 -0.090) 17.626 3.149 ( 2.221 -0.074 0.380) 2.255 3.193 ( 1.559 -4.104 1.706) 4.710 3.451 ( 2.668 -4.046 3.926) 6.237 3.525 ( 0.856 -3.563 5.224) 6.381 3.603 ( 1.628 -4.014 -3.680) 5.683 3.678 ( 0.675 -2.906 -3.572) 4.654 3.918 ( 8.245 -14.179 0.194) 16.403 3.931 ( 8.178 -14.071 -0.267) 16.278 4.202 ( -1.998 -6.523 -0.162) 6.824 4.207 ( -2.124 -5.948 -0.426) 6.330 5.199 ( 5.378 -12.508 0.283) 13.618 5.249 ( 3.572 -12.337 -0.257) 12.846 7.368 ( -2.307 2.128 0.183) 3.144 7.378 ( -2.544 2.104 -0.139) 3.304 7.451 ( -0.449 6.242 0.682) 6.296 7.474 ( -0.410 6.595 -0.631) 6.638 7.845 ( 0.628 -0.645 0.508) 1.034 7.866 ( 0.448 -0.681 -0.568) 0.994 7.973 ( -1.250 1.271 1.145) 2.119 8.004 ( -0.789 0.854 -1.284) 1.733 8.624 ( -1.931 5.509 0.687) 5.878 8.644 ( -2.008 5.044 -0.525) 5.454 8.781 ( -2.186 9.838 -0.054) 10.078 8.788 ( -2.726 8.358 0.384) 8.799 8.853 ( -0.958 0.931 1.109) 1.736 8.864 ( -1.612 1.654 0.075) 2.310 8.930 ( -0.148 2.093 2.766) 3.472 9.022 ( 0.519 -0.003 -3.876) 3.911 9.176 ( -0.023 -0.253 0.841) 0.878 9.210 ( 0.020 -0.408 -1.125) 1.196 9.283 ( 0.109 -0.305 1.295) 1.334 9.310 ( 0.380 -0.553 -0.795) 1.040 10.014 ( -1.619 4.427 1.831) 5.057 10.065 ( -1.666 4.642 -1.643) 5.198 10.676 ( 1.581 -4.607 1.910) 5.231 10.730 ( 1.351 -4.193 -2.123) 4.890 ======================= Grid point 249 (105/171) ======================= q-point: ( 0.70 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( -3.993 15.463 -1.235) 16.018 1.009 ( -3.536 12.636 -0.748) 13.143 1.177 ( -9.724 14.404 2.591) 17.571 1.286 ( -5.273 12.693 -1.140) 13.792 2.077 ( -8.242 11.457 0.800) 14.137 2.103 ( -8.892 12.457 -2.252) 15.470 2.168 ( -2.836 5.184 0.852) 5.970 2.193 ( -0.440 0.321 0.131) 0.560 2.308 ( 4.344 2.085 3.013) 5.683 2.371 ( 5.740 2.339 -2.644) 6.738 2.426 ( -4.245 -1.929 1.168) 4.807 2.497 ( 1.537 -5.029 -0.206) 5.263 2.608 ( -4.007 -6.293 -0.664) 7.490 2.716 ( 0.119 -8.186 0.420) 8.198 2.760 ( 10.049 -14.923 -0.543) 17.999 2.855 ( 6.249 -13.447 0.635) 14.842 2.949 ( -3.815 9.170 -0.894) 9.972 2.990 ( -5.168 9.156 -0.766) 10.542 3.133 ( 1.672 2.413 0.088) 2.937 3.177 ( 0.308 1.440 1.586) 2.164 3.379 ( 2.749 -4.257 2.645) 5.716 3.471 ( 4.015 -3.434 0.929) 5.364 3.516 ( 3.190 -5.289 -1.259) 6.303 3.598 ( 6.281 -13.312 0.467) 14.727 3.640 ( 8.008 -13.310 -0.384) 15.538 3.658 ( 3.604 -5.117 -1.937) 6.552 4.159 ( 2.313 -3.073 0.449) 3.873 4.170 ( 1.913 -2.665 -0.814) 3.380 4.977 ( 5.914 -13.319 -0.166) 14.574 5.053 ( 5.187 -13.049 0.151) 14.043 7.432 ( -2.259 2.451 0.058) 3.334 7.443 ( -2.370 2.222 -0.088) 3.250 7.525 ( -2.031 5.046 0.297) 5.447 7.545 ( -1.633 5.518 -0.216) 5.758 7.826 ( 0.702 -1.627 0.627) 1.880 7.837 ( 1.089 -1.784 -0.669) 2.195 8.010 ( -1.215 0.939 0.654) 1.669 8.027 ( -1.034 1.284 -0.737) 1.806 8.717 ( -2.250 5.942 0.151) 6.356 8.733 ( -2.596 5.434 -0.147) 6.024 8.860 ( -0.534 1.547 0.690) 1.776 8.866 ( -1.310 1.420 0.338) 1.961 8.928 ( -3.364 6.040 0.136) 6.915 8.951 ( -2.999 3.730 0.487) 4.811 8.970 ( -1.904 3.559 0.828) 4.121 9.008 ( -0.190 1.384 -2.468) 2.836 9.172 ( 0.211 -0.613 0.201) 0.678 9.204 ( 0.117 -0.100 -0.296) 0.334 9.272 ( 0.752 -1.473 1.039) 1.953 9.287 ( 0.922 -1.500 -0.720) 1.902 10.098 ( -2.471 4.863 0.943) 5.535 10.147 ( -3.165 5.294 -0.846) 6.226 10.603 ( 2.685 -4.854 1.944) 5.878 10.648 ( 2.403 -4.680 -1.983) 5.622 ======================= Grid point 250 (106/171) ======================= q-point: ( 0.80 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( -11.958 16.363 -0.807) 20.282 1.208 ( -5.351 12.469 -0.389) 13.574 1.464 ( -0.668 13.518 0.207) 13.536 1.521 ( -12.999 15.322 0.807) 20.109 2.090 ( 4.830 -3.798 -0.413) 6.158 2.155 ( 1.665 -2.160 -0.076) 2.728 2.215 ( 7.661 -1.653 0.970) 7.897 2.276 ( 3.005 0.513 -0.355) 3.069 2.318 ( -0.920 0.071 0.783) 1.210 2.329 ( -0.081 0.226 -1.848) 1.864 2.443 ( 1.287 -1.248 0.802) 1.964 2.506 ( 7.101 -10.262 -0.319) 12.484 2.544 ( -10.285 -1.380 1.060) 10.431 2.558 ( -9.507 -0.561 -1.333) 9.616 2.663 ( -4.040 -5.005 0.156) 6.434 2.748 ( -1.379 -5.731 0.178) 5.898 3.018 ( 4.191 -0.123 0.520) 4.225 3.088 ( -0.079 -0.020 -0.024) 0.085 3.158 ( 1.848 -0.046 -0.395) 1.890 3.261 ( 1.943 -4.379 0.318) 4.801 3.283 ( 0.651 -1.769 1.190) 2.229 3.293 ( 2.831 -5.522 -1.216) 6.323 3.332 ( 3.090 -3.664 0.092) 4.794 3.432 ( 1.708 -3.254 0.990) 3.806 3.552 ( -0.821 2.999 -0.574) 3.162 3.638 ( -0.919 1.486 -0.710) 1.886 4.056 ( 10.862 3.335 0.403) 11.370 4.075 ( 10.199 4.482 -0.551) 11.154 4.788 ( -0.431 -15.323 -0.135) 15.329 4.861 ( 0.854 -15.235 0.061) 15.259 7.476 ( 0.031 2.644 0.104) 2.646 7.483 ( 0.049 1.950 -0.136) 1.955 7.615 ( -3.797 3.140 0.020) 4.927 7.625 ( -2.172 3.977 0.058) 4.531 7.790 ( 1.039 -2.609 -0.074) 2.809 7.810 ( -0.344 -1.990 0.047) 2.020 8.030 ( -0.223 0.375 0.039) 0.437 8.048 ( -0.114 1.117 -0.107) 1.128 8.798 ( -0.623 5.585 -0.063) 5.620 8.817 ( -1.002 5.450 0.027) 5.541 8.872 ( 0.064 0.216 0.074) 0.238 8.896 ( -1.542 0.046 0.220) 1.558 8.980 ( 0.114 1.692 1.246) 2.104 8.994 ( 0.260 1.272 -1.491) 1.977 9.048 ( -4.017 3.684 -0.167) 5.453 9.093 ( -4.545 3.150 0.060) 5.531 9.162 ( 0.116 -0.814 -0.053) 0.824 9.200 ( 0.372 0.145 -0.003) 0.399 9.234 ( 2.107 -2.588 0.455) 3.368 9.248 ( 1.255 -2.154 -0.352) 2.518 10.189 ( -2.611 4.826 0.102) 5.488 10.251 ( -2.961 5.220 -0.148) 6.003 10.514 ( 3.050 -5.019 0.885) 5.939 10.556 ( 2.257 -4.584 -0.912) 5.190 ======================= Grid point 251 (107/171) ======================= q-point: (-0.10 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.373 ( -0.156 10.758 -0.000) 10.760 1.489 ( 0.092 9.620 -0.000) 9.621 1.521 ( 6.432 9.059 -0.000) 11.110 1.805 ( -0.023 6.601 -0.000) 6.601 1.897 ( -0.245 -6.155 0.000) 6.159 2.103 ( -2.203 0.605 -0.000) 2.284 2.144 ( 2.319 2.747 -0.000) 3.595 2.239 ( 0.131 -0.645 0.000) 0.658 2.263 ( 1.669 0.149 0.000) 1.675 2.273 ( 4.548 -5.383 0.000) 7.048 2.393 ( -3.538 -0.885 -0.000) 3.647 2.444 ( -1.348 1.119 -0.000) 1.751 2.677 ( -5.502 -8.406 0.000) 10.046 2.728 ( -4.214 -3.841 0.000) 5.701 2.760 ( -1.411 -7.130 0.000) 7.268 2.794 ( -11.149 -1.301 -0.000) 11.224 2.813 ( 2.757 -4.992 0.000) 5.702 2.947 ( 6.201 -10.723 0.000) 12.387 3.132 ( -2.537 -1.096 -0.000) 2.764 3.136 ( -3.633 1.357 -0.000) 3.878 3.294 ( -1.193 -2.356 0.000) 2.640 3.300 ( -0.060 -0.226 0.000) 0.234 3.380 ( 0.038 1.713 -0.000) 1.714 3.394 ( -0.214 -2.498 0.000) 2.508 3.641 ( -0.033 3.406 -0.000) 3.406 3.657 ( 4.398 1.267 0.000) 4.577 3.921 ( 10.437 14.364 -0.000) 17.756 3.985 ( 8.060 16.352 -0.000) 18.230 4.723 ( -8.710 -14.055 0.000) 16.535 4.770 ( -7.376 -14.383 0.000) 16.164 7.478 ( 2.104 0.864 0.000) 2.275 7.480 ( 2.047 1.633 -0.000) 2.618 7.667 ( 0.744 1.681 -0.000) 1.838 7.675 ( 0.173 0.421 -0.000) 0.455 7.778 ( -3.004 -0.731 -0.000) 3.092 7.821 ( -2.781 -0.913 -0.000) 2.927 8.025 ( 1.068 -0.032 0.000) 1.069 8.045 ( 1.312 0.392 0.000) 1.369 8.833 ( 2.174 4.206 -0.000) 4.735 8.855 ( 2.245 4.096 -0.000) 4.671 8.863 ( 1.055 -0.041 0.000) 1.055 8.920 ( -1.450 -0.386 -0.000) 1.501 8.988 ( 0.639 0.946 -0.000) 1.141 8.996 ( 0.671 1.109 -0.000) 1.296 9.129 ( -1.328 1.002 -0.000) 1.664 9.152 ( -0.086 -1.692 0.000) 1.694 9.153 ( -0.222 -1.735 0.000) 1.749 9.170 ( 1.221 -1.422 0.000) 1.874 9.200 ( 0.451 -0.065 0.000) 0.456 9.220 ( -1.395 0.477 -0.000) 1.474 10.260 ( 0.087 3.580 -0.000) 3.581 10.300 ( 2.824 2.355 -0.000) 3.677 10.435 ( 0.269 -3.907 0.000) 3.917 10.517 ( -2.887 -1.995 0.000) 3.509 ======================= Grid point 258 (108/171) ======================= q-point: ( 0.60 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.718 ( 0.000 7.324 11.477) 13.614 0.769 ( 0.000 10.166 7.435) 12.595 0.910 ( -0.000 9.133 -7.165) 11.609 0.916 ( -0.000 2.394 -10.274) 10.549 1.409 ( 0.000 28.679 3.257) 28.863 1.449 ( -0.000 25.068 -1.518) 25.114 2.161 ( 0.000 0.914 1.222) 1.525 2.183 ( -0.000 0.145 -1.505) 1.512 2.330 ( 0.000 2.441 5.076) 5.632 2.375 ( -0.000 -0.320 0.599) 0.679 2.496 ( 0.000 -2.619 -1.114) 2.846 2.524 ( -0.000 1.766 -5.591) 5.863 2.662 ( 0.000 -1.167 1.018) 1.548 2.690 ( 0.000 2.456 -2.005) 3.171 2.762 ( -0.000 -0.853 1.057) 1.358 2.794 ( 0.000 -2.625 -2.894) 3.907 3.139 ( -0.000 0.240 3.338) 3.347 3.183 ( 0.000 -0.425 -1.569) 1.626 3.320 ( -0.000 -13.249 -0.364) 13.254 3.320 ( 0.000 -14.815 -0.437) 14.821 3.548 ( -0.000 -5.108 5.439) 7.461 3.585 ( 0.000 -4.354 5.335) 6.887 3.642 ( 0.000 -4.128 -3.439) 5.373 3.693 ( -0.000 -3.511 -5.119) 6.207 4.119 ( 0.000 -10.914 0.427) 10.922 4.125 ( -0.000 -10.903 -0.374) 10.909 4.237 ( 0.000 -6.064 -0.108) 6.065 4.239 ( -0.000 -6.354 -0.278) 6.360 5.371 ( -0.000 -12.332 1.154) 12.386 5.390 ( 0.000 -12.358 -1.183) 12.415 7.329 ( -0.000 2.067 0.350) 2.096 7.335 ( 0.000 2.011 -0.308) 2.035 7.391 ( 0.000 6.218 0.832) 6.274 7.405 ( -0.000 6.430 -0.787) 6.478 7.856 ( -0.000 0.019 0.500) 0.501 7.866 ( 0.000 0.312 -0.606) 0.682 7.958 ( -0.000 0.880 1.582) 1.811 7.984 ( 0.000 0.717 -1.649) 1.798 8.563 ( -0.000 4.727 1.022) 4.837 8.578 ( 0.000 4.624 -0.840) 4.700 8.664 ( -0.000 10.326 0.137) 10.326 8.666 ( 0.000 10.083 -0.129) 10.084 8.842 ( 0.000 1.134 0.311) 1.176 8.844 ( 0.000 0.505 0.387) 0.636 8.933 ( 0.000 0.435 4.905) 4.925 9.013 ( -0.000 -0.865 -4.772) 4.849 9.182 ( 0.000 -0.105 1.418) 1.422 9.208 ( -0.000 -0.336 -1.722) 1.755 9.286 ( -0.000 0.691 1.475) 1.629 9.309 ( 0.000 0.444 -1.268) 1.344 9.970 ( -0.000 3.660 2.091) 4.215 10.004 ( 0.000 3.767 -2.004) 4.267 10.738 ( -0.000 -4.000 1.767) 4.373 10.769 ( 0.000 -3.546 -2.084) 4.113 ======================= Grid point 259 (109/171) ======================= q-point: ( 0.70 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( 3.419 10.002 2.782) 10.930 0.881 ( 2.283 10.941 -1.436) 11.268 0.946 ( -5.535 9.761 0.931) 11.260 1.067 ( -6.536 10.864 -2.165) 12.862 1.750 ( -8.309 24.271 0.136) 25.654 1.755 ( -7.863 23.381 0.087) 24.668 2.161 ( 1.080 1.117 0.416) 1.609 2.189 ( -0.531 -0.037 -0.303) 0.612 2.351 ( 2.026 2.227 3.143) 4.352 2.389 ( -0.405 1.068 0.113) 1.147 2.431 ( 2.324 -1.492 -1.877) 3.339 2.563 ( -3.982 -2.392 -0.785) 4.711 2.589 ( 2.443 -5.716 -0.443) 6.232 2.725 ( -4.592 -3.891 -0.620) 6.051 2.814 ( -1.712 6.232 0.898) 6.525 2.831 ( -3.069 6.672 -1.734) 7.546 3.073 ( 6.324 -15.050 0.347) 16.329 3.114 ( 4.821 -16.754 -0.143) 17.434 3.151 ( 2.359 1.156 0.125) 2.630 3.201 ( 1.224 -3.290 0.527) 3.550 3.479 ( 3.422 -4.021 2.383) 5.793 3.562 ( 2.617 -3.048 3.070) 5.056 3.577 ( 0.668 -4.377 -2.005) 4.860 3.650 ( -0.321 -2.845 -2.643) 3.897 3.920 ( 8.256 -14.292 0.094) 16.505 3.929 ( 8.212 -14.039 -0.122) 16.264 4.202 ( -2.169 -6.415 -0.007) 6.771 4.205 ( -2.051 -6.199 -0.217) 6.534 5.201 ( 5.646 -12.555 0.117) 13.767 5.247 ( 3.309 -12.264 -0.107) 12.703 7.369 ( -2.242 2.089 0.087) 3.066 7.377 ( -2.580 2.161 -0.070) 3.366 7.456 ( -0.248 6.300 0.445) 6.320 7.469 ( -0.638 6.501 -0.427) 6.547 7.849 ( 0.703 -0.421 0.311) 0.876 7.862 ( 0.371 -0.887 -0.334) 1.018 7.983 ( -1.103 1.183 1.295) 2.073 7.994 ( -0.951 0.925 -1.348) 1.891 8.628 ( -1.668 5.589 0.397) 5.846 8.640 ( -2.212 4.961 -0.336) 5.442 8.781 ( -2.259 9.876 -0.029) 10.131 8.791 ( -2.903 8.506 0.141) 8.989 8.858 ( -0.862 0.837 0.303) 1.239 8.865 ( -1.526 1.481 0.059) 2.127 8.957 ( 0.190 1.356 3.712) 3.957 8.990 ( 0.340 0.637 -4.029) 4.093 9.182 ( 0.259 -0.408 0.584) 0.758 9.203 ( -0.334 -0.264 -0.687) 0.808 9.293 ( 0.236 -0.350 1.104) 1.182 9.303 ( 0.276 -0.437 -0.926) 1.060 10.028 ( -1.275 4.427 1.433) 4.825 10.052 ( -1.995 4.686 -1.361) 5.271 10.692 ( 1.626 -4.455 1.926) 5.118 10.713 ( 1.289 -4.233 -2.006) 4.859 ======================= Grid point 260 (110/171) ======================= q-point: ( 0.80 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.894 ( -3.438 15.624 -0.000) 15.998 1.005 ( -3.879 12.352 -0.000) 12.947 1.188 ( -9.567 14.433 -0.000) 17.316 1.281 ( -5.518 12.951 -0.000) 14.078 2.086 ( -9.419 13.181 -0.000) 16.200 2.088 ( -7.477 10.215 -0.000) 12.659 2.172 ( -2.986 5.215 -0.000) 6.010 2.193 ( -0.419 0.335 -0.000) 0.536 2.325 ( 5.228 2.800 -0.000) 5.931 2.356 ( 4.996 1.883 0.000) 5.339 2.431 ( -4.305 -2.152 0.000) 4.813 2.495 ( 1.804 -4.868 0.000) 5.191 2.605 ( -4.520 -6.246 0.000) 7.710 2.718 ( -0.452 -8.388 0.000) 8.400 2.758 ( 10.694 -15.275 0.000) 18.646 2.858 ( 6.181 -13.493 0.000) 14.842 2.946 ( -4.000 9.415 -0.000) 10.229 2.987 ( -5.213 9.816 -0.000) 11.114 3.133 ( 1.841 2.407 -0.000) 3.030 3.183 ( 0.376 1.368 -0.000) 1.419 3.392 ( 2.710 -4.441 0.000) 5.203 3.470 ( 5.749 -3.421 0.000) 6.690 3.515 ( 2.081 -4.933 0.000) 5.354 3.600 ( 5.699 -11.854 0.000) 13.153 3.636 ( 7.179 -13.404 0.000) 15.206 3.650 ( 4.719 -6.562 0.000) 8.082 4.163 ( 2.323 -2.945 0.000) 3.751 4.166 ( 1.850 -2.850 0.000) 3.398 4.977 ( 5.957 -13.331 0.000) 14.601 5.053 ( 5.165 -13.038 0.000) 14.024 7.432 ( -2.261 2.453 -0.000) 3.336 7.443 ( -2.342 2.237 -0.000) 3.239 7.526 ( -1.951 5.030 -0.000) 5.395 7.544 ( -1.741 5.514 -0.000) 5.783 7.830 ( 0.609 -1.292 0.000) 1.428 7.833 ( 1.184 -2.119 0.000) 2.428 8.014 ( -1.063 0.581 -0.000) 1.212 8.023 ( -1.190 1.631 -0.000) 2.019 8.718 ( -2.129 5.962 -0.000) 6.331 8.732 ( -2.694 5.414 -0.000) 6.047 8.862 ( -0.400 1.611 -0.000) 1.660 8.867 ( -1.430 1.210 -0.000) 1.874 8.928 ( -3.628 6.195 -0.000) 7.179 8.953 ( -3.600 4.515 -0.000) 5.775 8.977 ( -0.097 1.404 -0.000) 1.407 8.995 ( -1.104 2.736 -0.000) 2.951 9.173 ( 0.283 -0.688 0.000) 0.744 9.203 ( 0.022 -0.042 0.000) 0.047 9.279 ( 0.639 -1.433 0.000) 1.569 9.281 ( 1.053 -1.542 0.000) 1.867 10.103 ( -2.214 4.833 -0.000) 5.316 10.144 ( -3.390 5.333 -0.000) 6.319 10.614 ( 2.831 -4.937 0.000) 5.691 10.637 ( 2.258 -4.572 0.000) 5.100 ======================= Grid point 266 (111/171) ======================= q-point: ( 0.30 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( 17.733 -0.000 4.962) 18.414 1.150 ( 19.943 -0.000 -0.518) 19.950 1.173 ( 14.183 -0.000 -0.163) 14.184 1.240 ( 15.086 0.000 -4.565) 15.761 2.123 ( 17.829 -0.000 0.619) 17.839 2.140 ( 4.847 -0.000 -0.260) 4.853 2.149 ( 7.491 -0.000 -0.614) 7.516 2.168 ( -0.284 0.000 -1.222) 1.255 2.228 ( 7.904 -0.000 2.547) 8.305 2.280 ( -0.604 0.000 -0.288) 0.669 2.588 ( -3.872 -0.000 1.198) 4.053 2.599 ( -5.737 -0.000 4.276) 7.156 2.637 ( -11.242 0.000 -0.256) 11.245 2.705 ( -6.993 0.000 -2.020) 7.279 2.792 ( -12.431 0.000 1.523) 12.524 2.842 ( -12.523 0.000 -0.691) 12.542 2.981 ( 3.696 -0.000 2.979) 4.747 3.021 ( 9.000 -0.000 -0.153) 9.001 3.102 ( 5.370 -0.000 -0.814) 5.431 3.116 ( 1.892 -0.000 2.765) 3.351 3.318 ( -4.815 0.000 -2.588) 5.466 3.397 ( -3.637 0.000 -4.397) 5.706 3.529 ( -9.874 0.000 0.779) 9.905 3.556 ( -8.388 0.000 -0.219) 8.391 3.672 ( -12.563 0.000 2.067) 12.732 3.675 ( -13.447 0.000 1.548) 13.536 4.142 ( -4.207 0.000 0.416) 4.228 4.163 ( -3.176 0.000 -0.665) 3.245 5.029 ( -14.432 0.000 0.529) 14.441 5.037 ( -13.677 0.000 0.105) 13.677 7.378 ( 3.466 -0.000 0.121) 3.469 7.382 ( 3.623 -0.000 -0.070) 3.624 7.570 ( 4.769 -0.000 0.128) 4.770 7.576 ( 4.580 -0.000 -0.221) 4.585 7.912 ( -2.080 0.000 0.125) 2.084 7.917 ( -3.165 0.000 -0.144) 3.168 7.957 ( 2.763 -0.000 0.445) 2.798 7.969 ( 2.768 -0.000 -0.196) 2.775 8.720 ( 6.359 -0.000 0.015) 6.359 8.722 ( 6.758 -0.000 -0.109) 6.759 8.827 ( 2.581 -0.000 2.694) 3.731 8.900 ( 3.451 0.000 -1.184) 3.649 8.934 ( 5.040 -0.000 0.461) 5.061 8.955 ( 1.831 -0.000 -0.262) 1.850 8.967 ( 3.860 -0.000 0.890) 3.961 9.008 ( 2.956 0.000 -2.014) 3.577 9.187 ( -0.347 0.000 0.021) 0.348 9.190 ( -0.969 0.000 -0.131) 0.978 9.260 ( -1.468 -0.000 1.473) 2.079 9.295 ( -1.387 0.000 -0.669) 1.540 10.122 ( 6.157 -0.000 0.741) 6.201 10.141 ( 5.227 -0.000 -0.300) 5.236 10.583 ( -5.371 -0.000 2.361) 5.867 10.662 ( -5.194 0.000 -1.953) 5.549 ======================= Grid point 270 (112/171) ======================= q-point: (-0.30 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( -0.000 5.724 -5.306) 7.805 0.798 ( 0.000 5.724 5.306) 7.805 0.862 ( 0.000 8.598 -1.271) 8.692 0.862 ( 0.000 8.598 1.271) 8.692 1.432 ( 0.000 26.634 -2.571) 26.758 1.432 ( 0.000 26.634 2.571) 26.758 2.172 ( -0.000 0.604 -1.317) 1.449 2.172 ( 0.000 0.604 1.317) 1.449 2.366 ( -0.000 1.552 -3.164) 3.525 2.366 ( 0.000 1.552 3.164) 3.525 2.495 ( 0.000 -0.786 -1.020) 1.288 2.495 ( 0.000 -0.786 1.020) 1.288 2.674 ( -0.000 0.391 -1.745) 1.788 2.674 ( 0.000 0.391 1.745) 1.788 2.774 ( -0.000 -1.534 -1.854) 2.406 2.774 ( 0.000 -1.534 1.854) 2.406 3.164 ( -0.000 -0.009 -2.995) 2.995 3.164 ( 0.000 -0.009 2.995) 2.995 3.319 ( -0.000 -13.940 0.000) 13.940 3.319 ( -0.000 -13.940 0.000) 13.940 3.588 ( -0.000 -4.955 -4.074) 6.414 3.588 ( 0.000 -4.955 4.074) 6.414 3.650 ( -0.000 -3.609 -5.107) 6.253 3.650 ( 0.000 -3.609 5.107) 6.253 4.122 ( -0.000 -10.899 -0.402) 10.907 4.122 ( -0.000 -10.899 0.402) 10.907 4.237 ( -0.000 -6.255 -0.062) 6.255 4.237 ( -0.000 -6.255 0.062) 6.255 5.380 ( -0.000 -12.333 -1.157) 12.387 5.380 ( -0.000 -12.333 1.157) 12.387 7.332 ( 0.000 2.042 -0.340) 2.071 7.332 ( 0.000 2.042 0.340) 2.071 7.398 ( 0.000 6.320 -0.852) 6.377 7.398 ( 0.000 6.320 0.852) 6.377 7.861 ( -0.000 0.179 -0.543) 0.571 7.861 ( 0.000 0.179 0.543) 0.571 7.971 ( -0.000 0.785 -1.685) 1.859 7.971 ( 0.000 0.785 1.685) 1.859 8.571 ( 0.000 4.686 -0.928) 4.777 8.571 ( 0.000 4.686 0.928) 4.777 8.665 ( 0.000 10.189 -0.065) 10.189 8.665 ( 0.000 10.189 0.065) 10.189 8.844 ( 0.000 0.911 -0.176) 0.928 8.844 ( 0.000 0.911 0.176) 0.928 8.974 ( -0.000 -0.422 -5.188) 5.205 8.974 ( 0.000 -0.422 5.188) 5.205 9.194 ( -0.000 -0.216 -1.633) 1.647 9.194 ( 0.000 -0.216 1.633) 1.647 9.298 ( -0.000 0.624 -1.414) 1.546 9.298 ( 0.000 0.624 1.414) 1.546 9.987 ( 0.000 3.726 -2.147) 4.300 9.987 ( 0.000 3.726 2.147) 4.300 10.753 ( -0.000 -3.745 -2.011) 4.251 10.753 ( -0.000 -3.745 2.011) 4.251 ======================= Grid point 277 (113/171) ======================= q-point: ( 0.30 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( 15.944 3.878 2.708) 16.631 1.375 ( 12.631 4.780 0.228) 13.507 1.409 ( 14.795 -0.421 2.565) 15.021 1.538 ( 19.011 -2.665 -4.506) 19.718 2.108 ( -7.617 3.160 1.009) 8.308 2.141 ( 0.750 1.506 0.162) 1.691 2.173 ( -0.391 -1.075 -0.494) 1.246 2.190 ( -3.751 0.067 -2.489) 4.502 2.323 ( -13.475 4.747 1.257) 14.342 2.390 ( -13.927 1.985 -0.686) 14.085 2.456 ( 8.686 -4.006 0.780) 9.597 2.495 ( 6.217 -8.861 0.243) 10.827 2.569 ( -1.351 1.238 2.699) 3.263 2.624 ( 1.098 -2.893 2.217) 3.807 2.693 ( -3.392 -1.533 -1.330) 3.953 2.721 ( -2.671 -4.234 -2.117) 5.435 2.999 ( -3.302 0.397 5.805) 6.690 3.101 ( -0.735 -0.074 4.792) 4.849 3.167 ( -5.443 -0.078 -4.423) 7.014 3.240 ( 2.108 -0.706 -3.232) 3.923 3.289 ( -12.823 -0.876 0.863) 12.881 3.304 ( -1.231 0.218 -0.249) 1.274 3.319 ( -2.682 -1.090 -0.433) 2.927 3.352 ( 2.405 -0.630 -2.676) 3.653 3.596 ( 1.324 1.674 1.647) 2.695 3.623 ( 1.638 -1.182 1.953) 2.810 4.042 ( -2.050 10.854 1.133) 11.104 4.073 ( -1.366 10.595 -1.186) 10.748 4.825 ( -13.287 -6.427 0.806) 14.782 4.838 ( -12.795 -6.372 -0.218) 14.296 7.435 ( 3.325 0.353 0.015) 3.344 7.442 ( 3.383 -0.145 0.010) 3.386 7.631 ( 2.922 0.504 -0.184) 2.971 7.647 ( 3.310 -1.074 0.123) 3.482 7.847 ( -3.980 1.342 -0.079) 4.201 7.869 ( -3.550 -0.500 -0.025) 3.585 8.003 ( 2.326 0.039 0.371) 2.356 8.015 ( 2.361 -0.440 -0.039) 2.402 8.808 ( 5.174 2.104 0.237) 5.590 8.816 ( 5.397 2.035 -0.218) 5.772 8.865 ( 0.907 -0.390 1.859) 2.105 8.911 ( -0.408 -0.396 -1.640) 1.735 8.981 ( 1.321 0.671 0.041) 1.482 8.989 ( 1.834 -0.274 0.160) 1.861 9.058 ( 4.980 -1.262 0.410) 5.154 9.083 ( 4.141 -2.420 -0.441) 4.817 9.174 ( -0.968 -0.012 0.093) 0.972 9.178 ( -0.662 0.025 -0.281) 0.720 9.234 ( -2.086 0.407 1.351) 2.519 9.260 ( -2.346 0.347 -0.642) 2.457 10.225 ( 5.979 0.279 0.144) 5.988 10.232 ( 5.014 -0.257 0.189) 5.024 10.505 ( -5.028 0.038 2.493) 5.612 10.564 ( -5.306 0.058 -1.912) 5.640 ======================= Grid point 278 (114/171) ======================= q-point: ( 0.40 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( 18.825 -0.000 5.367) 19.575 1.143 ( 20.578 0.000 -1.633) 20.643 1.173 ( 14.306 -0.000 0.272) 14.308 1.204 ( 14.196 0.000 -4.174) 14.797 2.128 ( 16.490 -0.000 0.647) 16.502 2.137 ( 11.659 -0.000 -0.499) 11.670 2.147 ( 2.176 0.000 0.186) 2.184 2.159 ( -0.033 -0.000 -1.102) 1.102 2.248 ( 4.863 -0.000 2.280) 5.371 2.275 ( 0.545 0.000 -1.020) 1.157 2.600 ( -5.703 -0.000 1.621) 5.929 2.621 ( -11.131 0.000 0.195) 11.133 2.641 ( -2.837 0.000 2.487) 3.773 2.687 ( -5.345 -0.000 -2.462) 5.885 2.806 ( -14.483 -0.000 1.960) 14.615 2.834 ( -14.214 -0.000 -1.274) 14.271 3.003 ( 8.049 -0.000 2.352) 8.385 3.019 ( 11.133 0.000 -0.235) 11.136 3.101 ( 2.590 0.000 0.780) 2.705 3.126 ( 0.748 -0.000 -0.325) 0.815 3.310 ( -4.555 0.000 0.698) 4.608 3.361 ( -3.652 0.000 -4.504) 5.798 3.537 ( -10.889 0.000 1.019) 10.936 3.552 ( -10.138 -0.000 -0.742) 10.166 3.685 ( -11.472 -0.000 1.149) 11.530 3.686 ( -11.860 0.000 0.956) 11.899 4.146 ( -3.959 -0.000 0.579) 4.001 4.157 ( -3.412 -0.000 -0.737) 3.491 5.033 ( -14.221 0.000 0.450) 14.228 5.037 ( -13.822 -0.000 -0.057) 13.822 7.379 ( 3.500 0.000 0.131) 3.503 7.381 ( 3.583 -0.000 -0.098) 3.584 7.571 ( 4.713 0.000 0.177) 4.717 7.574 ( 4.612 -0.000 -0.236) 4.618 7.913 ( -2.370 0.000 0.145) 2.374 7.916 ( -2.937 -0.000 -0.154) 2.941 7.961 ( 2.819 0.000 0.441) 2.854 7.967 ( 2.825 -0.000 -0.288) 2.839 8.720 ( 6.472 -0.000 0.043) 6.472 8.721 ( 6.679 0.000 -0.101) 6.680 8.849 ( 2.374 0.000 2.827) 3.691 8.888 ( 2.933 -0.000 -1.851) 3.469 8.939 ( 4.091 0.000 0.711) 4.152 8.951 ( 2.128 0.000 -0.633) 2.220 8.975 ( 4.218 -0.000 0.944) 4.322 8.993 ( 3.930 0.000 -1.601) 4.243 9.187 ( -0.530 -0.000 0.084) 0.536 9.189 ( -0.848 -0.000 -0.139) 0.859 9.272 ( -1.402 -0.000 1.335) 1.936 9.289 ( -1.365 -0.000 -0.888) 1.629 10.128 ( 5.952 0.000 0.759) 6.000 10.138 ( 5.463 -0.000 -0.485) 5.484 10.603 ( -5.248 -0.000 2.651) 5.879 10.645 ( -5.154 0.000 -2.400) 5.686 ======================= Grid point 288 (115/171) ======================= q-point: ( 0.30 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( 1.662 12.123 0.876) 12.267 1.494 ( 7.799 9.432 -0.736) 12.261 1.581 ( -4.057 10.360 3.325) 11.613 1.728 ( -0.766 5.756 -3.120) 6.592 1.967 ( 3.227 -5.207 3.071) 6.852 2.070 ( -3.031 -4.911 -2.595) 6.328 2.133 ( 1.032 3.004 -0.243) 3.186 2.183 ( 0.732 -1.133 -1.110) 1.747 2.246 ( 3.931 -1.059 -0.151) 4.074 2.274 ( 0.902 -1.200 0.520) 1.589 2.457 ( -2.370 2.250 1.889) 3.775 2.512 ( -1.903 -0.596 0.491) 2.054 2.632 ( -1.869 -4.949 -0.745) 5.343 2.704 ( -4.343 -8.640 -0.167) 9.671 2.768 ( -7.329 -4.300 0.975) 8.553 2.810 ( -1.783 -5.262 -0.720) 5.603 2.849 ( -1.418 -2.172 0.846) 2.728 2.978 ( -5.519 -7.186 0.593) 9.080 3.132 ( -0.443 -0.017 -0.106) 0.455 3.133 ( 1.784 -1.275 0.104) 2.195 3.237 ( -1.534 -3.601 1.194) 4.092 3.278 ( -1.153 -2.509 -3.396) 4.377 3.389 ( -0.711 1.417 1.296) 2.048 3.407 ( 0.597 0.960 -0.418) 1.205 3.668 ( -0.302 3.413 0.800) 3.519 3.677 ( 4.840 1.362 0.338) 5.039 3.941 ( 7.967 15.315 0.707) 17.278 3.976 ( 10.376 14.887 -0.424) 18.151 4.737 ( -9.031 -13.959 0.416) 16.631 4.769 ( -7.160 -13.994 -0.097) 15.720 7.472 ( 2.043 1.407 -0.068) 2.482 7.486 ( 2.108 0.952 0.100) 2.315 7.654 ( 0.871 1.497 -0.216) 1.745 7.687 ( -0.197 0.955 0.190) 0.993 7.779 ( -2.122 -0.736 0.041) 2.246 7.816 ( -3.398 -1.254 -0.132) 3.624 8.031 ( 1.112 0.564 0.168) 1.258 8.048 ( 1.251 0.058 0.043) 1.253 8.842 ( 2.349 4.371 0.467) 4.984 8.849 ( 2.409 4.459 -0.380) 5.082 8.879 ( -0.161 -0.041 0.826) 0.842 8.897 ( -0.813 -0.216 -0.983) 1.294 8.979 ( 0.013 1.729 -0.113) 1.733 9.017 ( 1.232 -0.270 0.442) 1.336 9.133 ( 0.347 -0.025 0.156) 0.381 9.146 ( -0.553 -1.890 -0.041) 1.969 9.156 ( 0.007 -1.283 -0.089) 1.286 9.167 ( -0.451 -0.200 -0.099) 0.504 9.207 ( -0.698 0.559 0.210) 0.919 9.222 ( -0.204 -0.255 0.039) 0.329 10.265 ( -0.425 3.157 0.147) 3.189 10.301 ( 3.576 2.527 0.043) 4.379 10.446 ( -3.163 -1.674 0.292) 3.591 10.517 ( -0.182 -3.539 -0.006) 3.544 ======================= Grid point 289 (116/171) ======================= q-point: ( 0.40 0.70 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( 12.001 5.054 0.246) 13.024 1.378 ( 13.701 5.116 0.320) 14.629 1.438 ( 18.173 -0.380 3.685) 18.547 1.502 ( 18.718 -4.198 -3.876) 19.571 2.116 ( -7.137 4.001 0.833) 8.224 2.142 ( 0.630 1.560 0.161) 1.690 2.164 ( -1.369 -0.902 -1.302) 2.094 2.178 ( -3.050 -0.999 -0.389) 3.233 2.330 ( -13.922 5.598 0.500) 15.014 2.387 ( -13.592 1.076 -0.206) 13.636 2.461 ( 8.459 -3.839 0.375) 9.297 2.496 ( 7.222 -9.774 -0.039) 12.153 2.586 ( -1.685 3.256 1.305) 3.891 2.635 ( -0.348 -2.794 0.527) 2.864 2.690 ( -3.429 -2.708 0.451) 4.392 2.705 ( -2.147 -4.236 -1.699) 5.044 3.045 ( -3.098 1.263 5.330) 6.293 3.105 ( -0.530 -0.557 -3.878) 3.954 3.159 ( -5.910 0.671 2.629) 6.503 3.213 ( -0.921 -1.951 -3.068) 3.751 3.294 ( -10.980 0.366 0.406) 10.994 3.304 ( -8.291 -0.754 0.039) 8.325 3.320 ( 4.027 -1.075 0.877) 4.259 3.333 ( 4.813 -0.779 -2.127) 5.319 3.606 ( 0.999 1.925 0.597) 2.249 3.634 ( 1.362 -1.150 0.701) 1.915 4.052 ( -1.776 10.733 1.294) 10.955 4.063 ( -1.593 10.587 -1.315) 10.787 4.831 ( -13.247 -6.369 0.665) 14.713 4.836 ( -12.803 -6.343 -0.439) 14.295 7.435 ( 3.326 0.449 0.006) 3.356 7.443 ( 3.375 -0.248 0.003) 3.384 7.630 ( 2.904 0.605 -0.065) 2.967 7.647 ( 3.349 -1.187 0.042) 3.554 7.847 ( -3.888 1.502 -0.029) 4.168 7.869 ( -3.681 -0.672 -0.011) 3.742 8.005 ( 2.375 0.227 0.165) 2.392 8.015 ( 2.348 -0.583 -0.038) 2.419 8.810 ( 5.363 2.203 0.148) 5.800 8.814 ( 5.248 1.941 -0.141) 5.597 8.880 ( 0.407 -0.317 1.929) 1.997 8.896 ( -0.066 -0.423 -1.851) 1.900 8.981 ( 1.344 0.713 0.017) 1.522 8.990 ( 1.894 -0.402 0.065) 1.937 9.060 ( 4.777 -0.956 0.166) 4.875 9.080 ( 4.367 -2.651 -0.164) 5.112 9.175 ( -0.860 -0.003 0.144) 0.872 9.176 ( -0.780 0.008 -0.206) 0.807 9.243 ( -2.186 0.622 0.901) 2.445 9.255 ( -2.264 0.155 -0.652) 2.361 10.225 ( 5.884 0.375 0.057) 5.896 10.233 ( 5.063 -0.335 0.072) 5.074 10.524 ( -5.270 0.394 2.207) 5.727 10.548 ( -5.000 -0.259 -1.986) 5.386 ======================= Grid point 290 (117/171) ======================= q-point: (-0.50 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( 20.271 0.000 -3.870) 20.637 1.119 ( 20.271 0.000 3.870) 20.637 1.180 ( 13.862 0.000 -1.609) 13.955 1.180 ( 13.862 -0.000 1.609) 13.955 2.133 ( 14.854 -0.000 -0.385) 14.859 2.133 ( 14.854 -0.000 0.385) 14.859 2.151 ( 0.329 0.000 -0.488) 0.589 2.151 ( 0.329 0.000 0.488) 0.589 2.264 ( 2.398 0.000 -0.918) 2.567 2.264 ( 2.398 0.000 0.918) 2.567 2.613 ( -8.214 0.000 -1.527) 8.355 2.613 ( -8.214 0.000 1.527) 8.355 2.665 ( -3.807 0.000 -3.019) 4.859 2.665 ( -3.807 -0.000 3.019) 4.859 2.822 ( -15.038 0.000 -1.434) 15.106 2.822 ( -15.038 0.000 1.434) 15.106 3.016 ( 11.264 -0.000 -0.654) 11.282 3.016 ( 11.264 -0.000 0.654) 11.282 3.114 ( 0.402 0.000 -2.114) 2.151 3.114 ( 0.402 -0.000 2.114) 2.151 3.328 ( -3.978 0.000 -3.566) 5.343 3.328 ( -3.978 -0.000 3.566) 5.343 3.545 ( -10.942 0.000 -0.531) 10.955 3.545 ( -10.942 0.000 0.531) 10.955 3.690 ( -11.234 0.000 -0.019) 11.234 3.690 ( -11.234 0.000 0.019) 11.234 4.151 ( -3.683 0.000 -0.693) 3.748 4.151 ( -3.683 0.000 0.693) 3.748 5.036 ( -14.009 0.000 -0.127) 14.009 5.036 ( -14.009 0.000 0.127) 14.009 7.380 ( 3.540 0.000 -0.053) 3.541 7.380 ( 3.540 0.000 0.053) 3.541 7.572 ( 4.658 0.000 -0.111) 4.660 7.572 ( 4.658 0.000 0.111) 4.660 7.915 ( -2.666 0.000 -0.034) 2.666 7.915 ( -2.666 0.000 0.034) 2.666 7.964 ( 2.844 0.000 -0.268) 2.857 7.964 ( 2.844 0.000 0.268) 2.857 8.720 ( 6.582 -0.000 -0.018) 6.582 8.720 ( 6.582 -0.000 0.018) 6.582 8.870 ( 2.485 0.000 -2.475) 3.507 8.870 ( 2.485 -0.000 2.475) 3.507 8.945 ( 3.002 0.000 -0.814) 3.111 8.945 ( 3.002 -0.000 0.814) 3.111 8.983 ( 4.341 0.000 -0.982) 4.451 8.983 ( 4.341 0.000 0.982) 4.451 9.188 ( -0.699 0.000 -0.120) 0.709 9.188 ( -0.699 0.000 0.120) 0.709 9.281 ( -1.367 0.000 -1.094) 1.751 9.281 ( -1.367 -0.000 1.094) 1.751 10.133 ( 5.713 -0.000 -0.537) 5.738 10.133 ( 5.713 -0.000 0.537) 5.738 10.625 ( -5.170 0.000 -2.641) 5.806 10.625 ( -5.170 -0.000 2.641) 5.806 ======================= Grid point 299 (118/171) ======================= q-point: ( 0.30 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( -3.962 15.535 0.453) 16.039 1.273 ( -11.571 15.264 1.780) 19.236 1.422 ( -13.899 13.832 -1.570) 19.671 1.458 ( -0.915 12.612 -0.476) 12.654 2.119 ( 1.265 2.084 0.282) 2.454 2.143 ( 0.495 -5.352 -0.444) 5.394 2.210 ( 4.696 -0.820 1.890) 5.128 2.244 ( 9.143 -6.424 -2.257) 11.401 2.361 ( 1.551 -2.707 2.300) 3.876 2.395 ( -3.893 2.361 -0.471) 4.577 2.408 ( 11.261 -4.559 -0.094) 12.150 2.462 ( -12.109 4.640 -1.023) 13.008 2.557 ( 2.552 -6.435 0.321) 6.930 2.583 ( -13.912 2.817 -0.017) 14.195 2.665 ( 0.358 -6.383 0.375) 6.404 2.724 ( -3.236 -5.579 -0.524) 6.470 2.984 ( 3.820 -1.793 -0.363) 4.236 3.084 ( 0.070 0.027 -0.085) 0.113 3.202 ( -0.575 -2.851 0.680) 2.987 3.244 ( 1.195 -0.980 0.175) 1.555 3.262 ( -3.848 4.033 0.258) 5.580 3.293 ( 5.943 -8.998 -1.504) 10.888 3.323 ( 5.232 -11.914 0.137) 13.013 3.376 ( -1.033 0.776 -0.341) 1.337 3.593 ( -0.465 2.577 0.479) 2.662 3.679 ( 0.444 1.664 0.416) 1.772 4.043 ( 10.961 3.891 -0.067) 11.631 4.100 ( 10.595 4.473 0.224) 11.503 4.799 ( -0.545 -15.409 0.160) 15.420 4.856 ( 0.655 -14.984 -0.085) 14.998 7.472 ( 0.076 2.363 -0.030) 2.364 7.490 ( -0.074 2.055 0.062) 2.058 7.614 ( -4.063 3.671 -0.012) 5.476 7.620 ( -1.725 3.591 -0.062) 3.984 7.796 ( -0.712 -2.174 0.099) 2.290 7.806 ( 1.373 -2.474 -0.075) 2.831 8.028 ( -0.455 1.128 -0.009) 1.216 8.055 ( 0.059 0.596 0.078) 0.604 8.804 ( -1.169 5.730 0.102) 5.849 8.815 ( -0.466 5.461 -0.050) 5.481 8.865 ( -1.088 0.987 -0.119) 1.474 8.882 ( -0.887 0.293 -0.140) 0.945 8.955 ( -0.528 2.139 -0.165) 2.210 9.036 ( 0.526 0.342 0.357) 0.722 9.063 ( -3.788 4.052 0.223) 5.551 9.088 ( -4.317 1.896 -0.060) 4.716 9.165 ( -0.041 -0.314 0.029) 0.318 9.199 ( 0.910 -0.391 -0.052) 0.992 9.214 ( 1.184 -2.032 -0.171) 2.358 9.260 ( 1.582 -2.074 0.093) 2.610 10.183 ( -3.805 4.853 -0.074) 6.167 10.261 ( -2.298 5.376 0.119) 5.848 10.478 ( 2.256 -4.493 -0.311) 5.038 10.594 ( 2.937 -5.070 0.338) 5.870 ======================= Grid point 300 (119/171) ======================= q-point: ( 0.40 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.403 ( 1.897 12.376 -0.000) 12.521 1.491 ( 7.615 9.142 -0.000) 11.899 1.596 ( -4.491 11.238 -0.000) 12.102 1.714 ( -0.544 5.064 -0.000) 5.093 1.982 ( 4.533 -4.753 0.000) 6.568 2.057 ( -3.776 -5.796 0.000) 6.918 2.132 ( 0.878 3.005 -0.000) 3.130 2.179 ( 0.341 -0.950 0.000) 1.009 2.245 ( 4.106 -1.037 0.000) 4.235 2.276 ( 0.805 -1.197 0.000) 1.442 2.465 ( -2.398 2.600 -0.000) 3.537 2.513 ( -1.751 -0.457 -0.000) 1.809 2.630 ( -1.983 -5.472 0.000) 5.821 2.704 ( -4.031 -8.759 0.000) 9.642 2.773 ( -8.209 -3.158 -0.000) 8.795 2.806 ( -0.878 -6.179 0.000) 6.241 2.853 ( -1.628 -1.844 0.000) 2.459 2.981 ( -6.741 -6.928 0.000) 9.666 3.132 ( -0.007 -0.168 0.000) 0.168 3.134 ( 2.456 -1.432 0.000) 2.843 3.252 ( -2.024 -3.881 0.000) 4.377 3.254 ( -1.032 -2.437 0.000) 2.647 3.396 ( -1.435 2.318 -0.000) 2.727 3.404 ( 1.391 0.313 0.000) 1.426 3.671 ( -0.720 3.602 -0.000) 3.673 3.678 ( 5.272 1.200 0.000) 5.407 3.944 ( 7.353 15.593 -0.000) 17.240 3.974 ( 10.974 14.552 -0.000) 18.226 4.739 ( -9.101 -13.954 0.000) 16.660 4.768 ( -7.102 -13.946 0.000) 15.650 7.472 ( 2.042 1.419 -0.000) 2.486 7.486 ( 2.110 0.926 0.000) 2.304 7.653 ( 0.885 1.514 -0.000) 1.753 7.688 ( -0.237 0.976 -0.000) 1.004 7.780 ( -2.014 -0.735 -0.000) 2.144 7.815 ( -3.476 -1.293 -0.000) 3.709 8.031 ( 1.117 0.640 -0.000) 1.288 8.048 ( 1.243 0.009 0.000) 1.243 8.846 ( 2.569 4.414 -0.000) 5.107 8.846 ( 2.219 4.445 -0.000) 4.968 8.884 ( -0.562 0.133 -0.000) 0.577 8.892 ( -0.466 -0.359 0.000) 0.588 8.979 ( -0.024 1.768 -0.000) 1.768 9.019 ( 1.263 -0.362 0.000) 1.313 9.134 ( 0.657 -0.156 0.000) 0.675 9.146 ( -0.688 -1.909 0.000) 2.029 9.156 ( -0.153 -1.132 0.000) 1.142 9.167 ( -0.483 -0.168 -0.000) 0.511 9.208 ( -0.852 0.666 -0.000) 1.081 9.222 ( -0.057 -0.355 0.000) 0.360 10.266 ( -0.481 3.112 -0.000) 3.149 10.301 ( 3.651 2.545 -0.000) 4.450 10.447 ( -3.566 -1.403 -0.000) 3.832 10.517 ( 0.151 -3.737 0.000) 3.740 ======================= Grid point 309 (120/171) ======================= q-point: ( 0.30 -0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( -7.989 12.447 -0.000) 14.791 1.032 ( -12.148 18.363 -0.000) 22.017 1.061 ( 0.403 12.525 -0.000) 12.532 1.314 ( -3.925 10.311 -0.000) 11.033 2.092 ( -10.754 16.620 -0.000) 19.796 2.116 ( 0.169 2.778 -0.000) 2.783 2.164 ( -11.341 17.037 -0.000) 20.466 2.181 ( -0.391 -2.588 0.000) 2.617 2.257 ( 1.664 1.690 -0.000) 2.371 2.400 ( -2.588 -2.219 0.000) 3.409 2.423 ( 5.706 1.802 0.000) 5.984 2.464 ( 0.289 -6.004 0.000) 6.011 2.659 ( 0.923 -6.319 0.000) 6.386 2.691 ( 2.715 -4.571 0.000) 5.316 2.779 ( 6.776 -13.341 0.000) 14.963 2.833 ( 7.290 -14.310 0.000) 16.060 3.016 ( -2.310 3.438 -0.000) 4.142 3.023 ( -2.653 4.600 -0.000) 5.310 3.058 ( -2.003 5.664 -0.000) 6.008 3.143 ( -1.698 1.768 -0.000) 2.451 3.326 ( 1.667 -4.271 0.000) 4.585 3.398 ( 0.869 -3.576 0.000) 3.680 3.581 ( 4.628 -13.124 0.000) 13.916 3.601 ( 8.236 -14.306 0.000) 16.508 3.631 ( 7.121 -6.750 0.000) 9.812 3.712 ( 3.553 -3.490 0.000) 4.981 4.155 ( 2.872 -3.211 0.000) 4.308 4.189 ( 1.849 -1.982 0.000) 2.711 4.985 ( 5.453 -13.196 0.000) 14.279 5.046 ( 5.454 -13.162 0.000) 14.247 7.430 ( -2.286 2.422 -0.000) 3.330 7.446 ( -2.590 2.091 -0.000) 3.328 7.516 ( -2.400 5.107 -0.000) 5.642 7.551 ( -0.998 5.641 -0.000) 5.728 7.815 ( 0.455 -1.748 0.000) 1.806 7.850 ( 1.319 -1.673 0.000) 2.130 7.998 ( -1.566 1.501 -0.000) 2.169 8.043 ( -0.635 0.830 -0.000) 1.045 8.712 ( -2.962 5.899 -0.000) 6.601 8.739 ( -2.106 5.484 -0.000) 5.874 8.829 ( -1.083 2.510 -0.000) 2.734 8.856 ( -1.078 1.946 -0.000) 2.225 8.919 ( -1.489 3.495 -0.000) 3.799 8.953 ( -3.051 5.387 -0.000) 6.192 8.960 ( -4.688 5.009 -0.000) 6.860 9.066 ( 0.650 -0.616 0.000) 0.895 9.167 ( -0.122 -0.197 0.000) 0.232 9.214 ( 0.736 -0.328 0.000) 0.805 9.247 ( 0.541 -1.428 0.000) 1.527 9.298 ( 0.929 -1.504 0.000) 1.768 10.073 ( -3.493 4.882 -0.000) 6.003 10.169 ( -2.454 5.177 -0.000) 5.729 10.564 ( 2.564 -4.867 0.000) 5.501 10.689 ( 2.510 -4.889 0.000) 5.495 ======================= Grid point 319 (121/171) ======================= q-point: ( 0.30 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( 0.000 10.557 -0.000) 10.557 0.846 ( 0.000 21.670 -0.000) 21.670 1.120 ( 0.000 6.889 -0.000) 6.889 1.190 ( 0.000 7.403 -0.000) 7.403 1.948 ( 0.000 25.942 -0.000) 25.942 1.961 ( 0.000 31.717 -0.000) 31.717 2.155 ( 0.000 1.267 -0.000) 1.267 2.169 ( -0.000 -3.142 0.000) 3.142 2.278 ( 0.000 2.774 -0.000) 2.774 2.331 ( 0.000 0.465 -0.000) 0.465 2.439 ( -0.000 -5.375 0.000) 5.375 2.473 ( -0.000 -6.939 0.000) 6.939 2.803 ( -0.000 -3.055 0.000) 3.055 2.806 ( -0.000 -3.118 0.000) 3.118 2.839 ( 0.000 8.427 -0.000) 8.427 2.848 ( 0.000 3.462 -0.000) 3.462 2.972 ( -0.000 -20.301 0.000) 20.301 2.981 ( -0.000 -12.412 0.000) 12.412 3.084 ( -0.000 -0.121 0.000) 0.121 3.112 ( -0.000 -2.666 0.000) 2.666 3.363 ( -0.000 -2.713 0.000) 2.713 3.408 ( -0.000 -3.563 0.000) 3.563 3.623 ( -0.000 -6.260 0.000) 6.260 3.719 ( -0.000 -2.694 0.000) 2.694 3.872 ( -0.000 -13.948 0.000) 13.948 3.894 ( -0.000 -13.830 0.000) 13.830 4.073 ( -0.000 -12.657 0.000) 12.657 4.097 ( -0.000 -10.124 0.000) 10.124 5.129 ( -0.000 -10.084 0.000) 10.084 5.182 ( -0.000 -11.004 0.000) 11.004 7.363 ( 0.000 2.052 -0.000) 2.052 7.376 ( 0.000 1.767 -0.000) 1.767 7.496 ( 0.000 6.521 -0.000) 6.521 7.552 ( 0.000 7.152 -0.000) 7.152 7.833 ( -0.000 -1.277 0.000) 1.277 7.878 ( -0.000 -0.560 0.000) 0.560 7.956 ( 0.000 1.566 -0.000) 1.566 8.023 ( 0.000 0.140 -0.000) 0.140 8.641 ( 0.000 5.348 -0.000) 5.348 8.676 ( 0.000 4.301 -0.000) 4.301 8.818 ( 0.000 1.784 -0.000) 1.784 8.859 ( 0.000 1.007 -0.000) 1.007 8.863 ( 0.000 9.885 -0.000) 9.885 8.870 ( 0.000 10.810 -0.000) 10.810 8.921 ( 0.000 2.579 -0.000) 2.579 9.079 ( -0.000 -1.132 0.000) 1.132 9.163 ( 0.000 0.140 -0.000) 0.140 9.228 ( -0.000 -1.050 0.000) 1.050 9.253 ( -0.000 -0.534 0.000) 0.534 9.315 ( -0.000 -1.283 0.000) 1.283 10.012 ( 0.000 5.213 -0.000) 5.213 10.126 ( 0.000 5.230 -0.000) 5.230 10.609 ( -0.000 -5.540 0.000) 5.540 10.731 ( -0.000 -5.167 0.000) 5.167 ======================= Grid point 320 (122/171) ======================= q-point: ( 0.40 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( -5.516 12.246 0.223) 13.432 1.087 ( -4.872 19.850 1.139) 20.471 1.199 ( 1.019 13.236 -0.860) 13.303 1.309 ( -5.152 8.499 -0.247) 9.942 2.131 ( 0.157 -1.170 0.190) 1.196 2.154 ( 0.906 3.020 -1.127) 3.348 2.196 ( -1.974 15.162 1.148) 15.333 2.239 ( -1.152 19.367 -1.169) 19.436 2.308 ( 1.079 5.197 0.692) 5.353 2.346 ( -1.537 -1.104 -0.076) 1.894 2.412 ( -0.072 -6.133 1.263) 6.262 2.438 ( -3.854 -1.137 0.378) 4.036 2.682 ( 6.214 -4.002 -1.865) 7.623 2.719 ( 5.102 -4.911 -0.128) 7.083 2.735 ( 4.852 -14.125 -1.321) 14.993 2.758 ( 2.767 -15.289 0.813) 15.559 2.993 ( -5.639 7.641 -0.029) 9.496 3.016 ( -3.490 6.078 -0.347) 7.017 3.093 ( -0.103 3.295 1.878) 3.794 3.127 ( -1.815 1.863 0.754) 2.708 3.325 ( 1.740 -2.685 0.638) 3.262 3.377 ( 0.126 -2.973 0.780) 3.076 3.529 ( 3.481 -11.805 -0.048) 12.308 3.608 ( 9.061 -14.052 -0.271) 16.722 3.666 ( 5.955 -9.842 0.012) 11.504 3.723 ( 1.884 -3.956 -0.583) 4.421 4.034 ( -7.561 -11.974 -0.165) 14.163 4.072 ( -7.055 -9.857 -0.314) 12.126 4.991 ( 6.391 -8.316 0.006) 10.488 5.038 ( 5.774 -9.537 0.023) 11.149 7.403 ( -2.503 1.740 0.025) 3.048 7.413 ( -2.564 1.419 0.010) 2.931 7.557 ( -0.028 6.060 0.152) 6.062 7.611 ( 0.611 6.378 -0.172) 6.409 7.810 ( 0.875 -1.909 0.143) 2.105 7.858 ( 1.281 -1.549 -0.156) 2.016 7.985 ( -1.487 1.490 0.106) 2.108 8.032 ( -0.964 0.097 -0.167) 0.984 8.712 ( -2.691 4.861 0.118) 5.557 8.738 ( -2.635 3.800 -0.043) 4.624 8.837 ( -0.431 1.468 0.322) 1.563 8.867 ( -0.124 1.029 0.058) 1.039 8.946 ( 0.010 3.298 0.115) 3.300 8.966 ( -1.680 7.762 0.019) 7.942 8.979 ( -1.358 8.263 0.032) 8.373 9.064 ( 0.303 -1.115 -0.489) 1.255 9.165 ( -0.012 0.136 0.038) 0.142 9.215 ( 0.159 -0.943 -0.209) 0.979 9.242 ( 0.444 -1.493 0.338) 1.594 9.295 ( 0.598 -1.933 -0.059) 2.024 10.081 ( -1.792 5.823 0.393) 6.105 10.187 ( -1.372 5.394 -0.231) 5.571 10.548 ( 1.257 -5.219 0.375) 5.381 10.668 ( 1.208 -5.803 -0.356) 5.938 ======================= Grid point 321 (123/171) ======================= q-point: ( 0.50 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.231 ( -9.273 12.971 -1.671) 16.032 1.337 ( -2.143 17.072 -2.849) 17.441 1.381 ( -9.608 13.051 3.160) 16.512 1.500 ( -5.940 11.287 1.312) 12.822 2.088 ( 0.350 -7.140 0.833) 7.197 2.162 ( 0.843 2.688 0.340) 2.838 2.254 ( 3.920 -8.686 -1.873) 9.712 2.291 ( 1.113 -1.723 1.084) 2.320 2.339 ( 0.286 -3.085 -2.033) 3.705 2.381 ( -0.882 -0.003 0.870) 1.239 2.420 ( -2.159 11.933 0.830) 12.155 2.453 ( 0.278 -3.222 0.199) 3.240 2.535 ( 2.783 -8.532 -1.023) 9.032 2.578 ( 7.579 2.115 -0.675) 7.898 2.612 ( -0.698 0.494 -2.251) 2.408 2.657 ( 1.649 -1.681 2.198) 3.221 3.032 ( 3.020 -1.197 1.390) 3.534 3.083 ( 0.049 -0.432 0.664) 0.794 3.173 ( 0.843 -3.661 0.861) 3.855 3.246 ( -5.206 7.655 0.623) 9.278 3.251 ( 4.451 -5.618 -1.569) 7.337 3.305 ( 4.461 -8.211 1.084) 9.407 3.313 ( 5.969 -9.579 1.760) 11.423 3.375 ( -0.887 1.783 0.321) 2.017 3.597 ( -1.180 1.360 -0.726) 1.942 3.695 ( 0.227 0.863 -1.071) 1.394 4.072 ( -7.342 -5.432 -0.129) 9.134 4.119 ( -7.867 -5.459 -0.638) 9.597 4.764 ( 10.905 -8.791 -0.466) 14.015 4.816 ( 9.758 -10.198 0.448) 14.122 7.466 ( -2.908 1.387 0.015) 3.222 7.475 ( -3.014 0.990 0.018) 3.173 7.615 ( -0.792 5.030 0.173) 5.095 7.654 ( 0.492 5.042 -0.160) 5.068 7.774 ( 0.799 -2.629 0.196) 2.755 7.810 ( 1.905 -2.589 -0.223) 3.222 8.023 ( -1.351 1.147 -0.064) 1.773 8.050 ( -0.985 0.081 -0.076) 0.991 8.811 ( -3.624 4.211 0.093) 5.557 8.822 ( -3.187 3.032 -0.009) 4.399 8.859 ( -0.743 0.857 0.359) 1.189 8.881 ( -0.527 0.771 0.008) 0.934 8.975 ( -0.054 2.633 0.274) 2.648 9.043 ( 0.342 -0.023 -0.598) 0.689 9.058 ( -1.724 4.367 -0.390) 4.711 9.070 ( -1.412 5.269 0.287) 5.463 9.164 ( 0.218 -0.062 -0.069) 0.237 9.206 ( 0.061 -0.467 -0.151) 0.495 9.210 ( 1.212 -2.612 0.547) 2.931 9.259 ( 1.027 -2.522 -0.179) 2.728 10.178 ( -2.929 5.852 0.517) 6.564 10.268 ( -2.662 4.817 -0.256) 5.510 10.476 ( 2.321 -4.190 0.572) 4.824 10.582 ( 2.160 -6.021 -0.647) 6.430 ======================= Grid point 322 (124/171) ======================= q-point: ( 0.60 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( -6.372 8.166 -3.981) 11.097 1.567 ( -8.096 15.956 -3.793) 18.290 1.616 ( -4.185 5.128 3.505) 7.490 1.741 ( -8.805 12.697 4.053) 15.974 1.950 ( 6.128 -11.847 -2.550) 13.580 2.050 ( 5.947 -10.765 2.696) 12.590 2.177 ( 0.809 2.633 0.142) 2.758 2.233 ( 4.375 0.382 1.368) 4.600 2.276 ( 2.066 -2.434 -0.647) 3.257 2.320 ( 5.754 -4.370 0.144) 7.227 2.443 ( -0.377 1.975 -2.872) 3.506 2.471 ( -0.827 -0.859 -0.763) 1.416 2.532 ( -3.503 -4.388 -1.997) 5.959 2.591 ( -1.246 -1.965 2.131) 3.155 2.622 ( -6.982 8.481 -0.279) 10.988 2.709 ( -5.585 1.539 -0.735) 5.840 2.887 ( 8.054 -7.532 -0.257) 11.030 2.934 ( 6.585 -10.518 2.005) 12.570 3.129 ( 0.197 -0.468 -0.353) 0.618 3.139 ( 1.495 -1.838 -1.152) 2.634 3.200 ( 0.849 -2.209 0.411) 2.402 3.271 ( 0.773 -1.488 4.760) 5.047 3.378 ( -1.503 2.333 -1.803) 3.309 3.413 ( -0.890 1.535 0.113) 1.778 3.680 ( -2.392 4.886 -0.803) 5.499 3.715 ( -0.578 1.534 -0.728) 1.793 4.182 ( -1.900 11.001 -0.157) 11.165 4.236 ( -3.269 10.092 -0.659) 10.629 4.494 ( 5.379 -15.173 -0.457) 16.105 4.555 ( 5.178 -15.741 0.239) 16.572 7.506 ( -0.048 1.051 0.053) 1.053 7.512 ( -0.285 0.479 -0.010) 0.557 7.681 ( -1.658 3.512 -0.313) 3.896 7.692 ( 0.126 3.572 0.320) 3.589 7.744 ( -0.421 -2.993 -0.437) 3.054 7.758 ( -0.275 -2.882 0.488) 2.936 8.043 ( -0.128 0.506 -0.512) 0.731 8.060 ( 0.050 0.039 0.212) 0.221 8.871 ( -0.554 0.408 -0.177) 0.710 8.881 ( -1.095 0.376 0.520) 1.269 8.895 ( -1.242 3.079 -0.165) 3.324 8.906 ( -0.733 2.150 -0.155) 2.277 8.997 ( 0.108 1.893 0.234) 1.910 9.024 ( 0.579 -0.947 -0.439) 1.194 9.115 ( -1.173 1.831 -0.153) 2.180 9.128 ( -1.113 2.172 0.042) 2.441 9.156 ( 0.499 -1.092 -0.173) 1.213 9.163 ( 1.047 -2.274 0.578) 2.569 9.204 ( -0.069 0.192 -0.114) 0.234 9.220 ( 0.704 -1.657 -0.290) 1.823 10.281 ( -2.543 5.267 0.182) 5.852 10.360 ( -3.740 3.132 -0.061) 4.878 10.398 ( 3.635 -2.284 0.344) 4.306 10.485 ( 1.881 -5.824 -0.759) 6.168 ======================= Grid point 323 (125/171) ======================= q-point: (-0.30 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( 3.060 0.000 -2.312) 3.835 1.603 ( 8.650 -0.000 1.382) 8.760 1.657 ( 15.928 0.000 -4.451) 16.538 1.818 ( 13.090 -0.000 3.665) 13.593 1.881 ( -16.482 0.000 -4.117) 16.988 2.059 ( -13.882 -0.000 6.003) 15.125 2.177 ( 0.604 -0.000 0.713) 0.934 2.179 ( 4.398 -0.000 0.712) 4.455 2.237 ( -2.088 0.000 -0.933) 2.287 2.244 ( -0.501 0.000 0.093) 0.509 2.458 ( -2.125 0.000 -4.108) 4.625 2.505 ( -1.534 0.000 -0.593) 1.644 2.539 ( -2.729 0.000 -0.794) 2.842 2.632 ( -2.402 -0.000 4.014) 4.678 2.682 ( 8.124 0.000 -2.925) 8.634 2.765 ( 6.368 -0.000 1.629) 6.573 2.843 ( -11.250 0.000 -3.049) 11.655 2.899 ( -14.773 0.000 -1.933) 14.899 3.125 ( -0.832 0.000 -0.305) 0.886 3.138 ( -3.022 -0.000 0.634) 3.088 3.198 ( -1.383 -0.000 1.283) 1.887 3.284 ( -0.835 -0.000 4.415) 4.494 3.376 ( 1.177 0.000 -2.775) 3.014 3.417 ( 1.645 -0.000 -0.186) 1.655 3.681 ( 4.581 0.000 -1.138) 4.720 3.687 ( 5.286 -0.000 -0.896) 5.362 4.154 ( 9.765 -0.000 -1.271) 9.847 4.204 ( 10.221 -0.000 1.425) 10.320 4.539 ( -15.429 0.000 -1.081) 15.467 4.561 ( -15.401 0.000 0.045) 15.402 7.488 ( 2.524 -0.000 -0.154) 2.528 7.494 ( 2.535 -0.000 0.187) 2.542 7.679 ( 2.195 -0.000 -0.150) 2.201 7.684 ( 2.324 -0.000 0.103) 2.326 7.778 ( -4.703 0.000 -0.517) 4.731 7.801 ( -4.216 0.000 0.731) 4.279 8.033 ( 1.321 0.000 -0.633) 1.464 8.048 ( 1.528 -0.000 0.174) 1.538 8.869 ( 0.504 0.000 -0.840) 0.980 8.890 ( 3.087 -0.000 -0.564) 3.138 8.901 ( -0.982 -0.000 0.904) 1.335 8.905 ( 3.133 -0.000 0.262) 3.144 9.001 ( 0.790 0.000 -0.225) 0.821 9.007 ( 0.720 -0.000 0.112) 0.728 9.115 ( 2.831 -0.000 -0.093) 2.833 9.117 ( 1.393 -0.000 0.255) 1.416 9.156 ( -1.002 0.000 -0.203) 1.022 9.163 ( -1.291 0.000 -0.074) 1.293 9.207 ( -0.519 0.000 -0.709) 0.878 9.226 ( -2.013 0.000 0.295) 2.034 10.312 ( 4.410 -0.000 -0.102) 4.411 10.317 ( 4.326 -0.000 0.296) 4.336 10.418 ( -3.568 0.000 -2.372) 4.285 10.481 ( -5.106 -0.000 1.230) 5.252 ======================= Grid point 330 (126/171) ======================= q-point: ( 0.40 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( 0.000 10.505 2.288) 10.751 0.854 ( 0.000 21.313 1.990) 21.406 1.114 ( 0.000 7.239 -1.330) 7.360 1.182 ( 0.000 7.474 -2.068) 7.755 1.945 ( 0.000 25.364 -0.781) 25.376 1.959 ( 0.000 31.062 -0.473) 31.066 2.160 ( 0.000 1.668 1.214) 2.063 2.171 ( -0.000 -2.813 0.489) 2.855 2.285 ( 0.000 2.823 1.663) 3.277 2.332 ( 0.000 0.311 0.272) 0.414 2.438 ( -0.000 -5.285 -0.235) 5.290 2.480 ( -0.000 -6.616 1.783) 6.852 2.773 ( -0.000 -1.649 -7.022) 7.213 2.786 ( -0.000 -2.341 -3.855) 4.510 2.847 ( 0.000 7.802 1.052) 7.873 2.854 ( 0.000 2.697 1.068) 2.901 2.975 ( -0.000 -20.710 0.431) 20.714 2.980 ( -0.000 -12.414 -0.200) 12.415 3.101 ( 0.000 -0.182 3.942) 3.947 3.120 ( 0.000 -2.384 1.855) 3.021 3.370 ( 0.000 -2.872 1.790) 3.384 3.414 ( -0.000 -3.510 1.568) 3.845 3.619 ( -0.000 -6.102 -0.997) 6.182 3.714 ( -0.000 -2.625 -1.144) 2.863 3.873 ( -0.000 -13.917 0.220) 13.919 3.894 ( -0.000 -13.822 -0.062) 13.823 4.072 ( -0.000 -12.721 -0.417) 12.728 4.095 ( -0.000 -10.253 -0.558) 10.268 5.130 ( -0.000 -10.100 0.348) 10.106 5.180 ( -0.000 -10.975 -0.290) 10.979 7.363 ( 0.000 2.048 0.114) 2.051 7.376 ( 0.000 1.777 -0.044) 1.777 7.498 ( 0.000 6.529 0.328) 6.538 7.551 ( 0.000 7.124 -0.350) 7.133 7.834 ( -0.000 -1.255 0.267) 1.283 7.877 ( -0.000 -0.574 -0.281) 0.639 7.958 ( 0.000 1.530 0.340) 1.567 8.021 ( -0.000 0.176 -0.479) 0.511 8.642 ( 0.000 5.309 0.332) 5.319 8.676 ( 0.000 4.329 -0.116) 4.330 8.821 ( 0.000 1.778 0.814) 1.955 8.859 ( 0.000 1.222 0.025) 1.222 8.863 ( 0.000 9.713 0.124) 9.714 8.870 ( 0.000 10.568 -0.020) 10.568 8.923 ( 0.000 2.649 0.494) 2.694 9.074 ( -0.000 -1.028 -1.238) 1.609 9.164 ( 0.000 0.130 0.153) 0.201 9.225 ( -0.000 -1.016 -0.587) 1.173 9.256 ( 0.000 -0.567 0.751) 0.941 9.314 ( -0.000 -1.265 -0.140) 1.273 10.015 ( 0.000 5.235 0.808) 5.297 10.123 ( 0.000 5.254 -0.568) 5.284 10.612 ( -0.000 -5.507 0.726) 5.555 10.728 ( -0.000 -5.145 -0.757) 5.200 ======================= Grid point 331 (127/171) ======================= q-point: ( 0.50 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( -4.200 12.783 0.962) 13.489 1.104 ( -5.111 19.149 2.694) 20.002 1.186 ( 0.887 12.941 -2.113) 13.143 1.304 ( -5.726 9.077 -0.879) 10.768 2.132 ( -0.136 5.157 -0.479) 5.181 2.146 ( 0.039 0.766 -0.198) 0.792 2.206 ( -1.082 10.299 0.978) 10.402 2.223 ( -1.047 17.451 -2.850) 17.714 2.319 ( 1.410 4.584 2.054) 5.217 2.348 ( -1.420 -0.416 0.674) 1.626 2.425 ( -1.422 -5.434 1.508) 5.815 2.446 ( -2.387 -0.268 2.079) 3.177 2.656 ( 6.196 -2.005 -4.458) 7.892 2.709 ( 4.321 -3.283 -2.701) 6.062 2.726 ( 4.011 -17.301 -0.329) 17.763 2.766 ( 2.789 -14.981 1.024) 15.273 2.992 ( -5.107 8.858 -0.308) 10.230 3.013 ( -2.899 7.390 -0.186) 7.941 3.118 ( -0.315 2.073 3.905) 4.432 3.138 ( -1.313 1.478 1.731) 2.628 3.335 ( 1.886 -2.861 1.829) 3.884 3.390 ( 0.236 -3.074 2.570) 4.014 3.528 ( 3.034 -10.958 -0.205) 11.372 3.604 ( 9.032 -13.661 -0.718) 16.393 3.666 ( 6.514 -10.459 -0.026) 12.321 3.713 ( 2.012 -4.036 -1.750) 4.838 4.032 ( -7.721 -12.071 -0.383) 14.334 4.067 ( -7.176 -10.073 -0.880) 12.399 4.991 ( 6.588 -8.429 0.019) 10.698 5.038 ( 5.598 -9.419 0.058) 10.957 7.403 ( -2.470 1.711 0.066) 3.005 7.414 ( -2.579 1.459 0.026) 2.964 7.559 ( 0.011 6.067 0.441) 6.083 7.609 ( 0.548 6.346 -0.492) 6.389 7.812 ( 0.899 -1.890 0.417) 2.134 7.855 ( 1.263 -1.571 -0.449) 2.065 7.987 ( -1.445 1.398 0.312) 2.035 8.030 ( -1.011 0.192 -0.473) 1.133 8.714 ( -2.666 4.813 0.330) 5.511 8.737 ( -2.603 3.875 -0.134) 4.670 8.842 ( -0.400 1.307 0.857) 1.613 8.868 ( -0.138 0.983 0.147) 1.004 8.948 ( -0.181 3.404 0.358) 3.428 8.966 ( -1.334 8.039 0.033) 8.149 8.980 ( -1.455 7.823 0.123) 7.958 9.057 ( 0.287 -0.850 -1.361) 1.630 9.166 ( 0.017 0.087 0.159) 0.182 9.212 ( 0.069 -0.891 -0.566) 1.058 9.247 ( 0.472 -1.535 0.879) 1.831 9.294 ( 0.613 -1.921 -0.202) 2.027 10.087 ( -1.712 5.844 1.115) 6.191 10.183 ( -1.395 5.484 -0.694) 5.701 10.554 ( 1.273 -5.248 1.088) 5.509 10.662 ( 1.211 -5.752 -1.036) 5.968 ======================= Grid point 332 (128/171) ======================= q-point: ( 0.60 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( -8.443 12.079 -1.761) 14.842 1.310 ( -1.931 17.076 -3.801) 17.600 1.412 ( -9.877 12.972 4.235) 16.845 1.511 ( -6.397 12.446 1.257) 14.050 2.097 ( 0.870 -7.204 1.427) 7.395 2.164 ( 1.036 2.951 0.117) 3.130 2.243 ( 3.541 -7.913 -0.608) 8.690 2.290 ( -0.513 -0.262 -1.283) 1.407 2.327 ( -0.121 -2.393 -0.958) 2.581 2.383 ( -0.100 0.550 -0.141) 0.576 2.427 ( -1.710 3.505 0.604) 3.946 2.458 ( 1.962 -1.076 1.289) 2.582 2.524 ( 2.340 -5.477 -1.650) 6.180 2.571 ( 6.849 0.733 -1.060) 6.970 2.597 ( -0.429 0.551 -1.622) 1.766 2.672 ( 1.205 -1.622 1.545) 2.543 3.047 ( 3.363 -0.973 2.233) 4.153 3.090 ( 0.205 0.584 0.817) 1.025 3.181 ( 0.689 -1.680 1.222) 2.189 3.241 ( 5.034 -7.909 -0.861) 9.415 3.253 ( -3.530 5.208 1.146) 6.395 3.305 ( 5.280 -9.514 -0.402) 10.888 3.336 ( 3.476 -4.407 2.995) 6.362 3.381 ( 0.023 0.066 1.507) 1.509 3.589 ( -1.147 1.816 -1.293) 2.507 3.683 ( 0.071 1.014 -2.059) 2.296 4.071 ( -7.520 -5.625 -0.105) 9.392 4.112 ( -7.952 -5.611 -1.135) 9.799 4.760 ( 10.909 -9.066 -0.644) 14.199 4.820 ( 9.820 -9.926 0.614) 13.977 7.467 ( -2.977 1.351 0.026) 3.269 7.475 ( -2.910 1.053 0.029) 3.095 7.617 ( -0.647 5.011 0.304) 5.062 7.652 ( 0.294 5.038 -0.282) 5.054 7.777 ( 0.908 -2.651 0.363) 2.826 7.807 ( 1.794 -2.560 -0.408) 3.153 8.023 ( -1.271 0.895 -0.099) 1.558 8.049 ( -1.042 0.305 -0.128) 1.093 8.812 ( -3.496 4.174 0.160) 5.447 8.822 ( -3.226 3.221 -0.019) 4.559 8.863 ( -0.678 0.675 0.608) 1.134 8.881 ( -0.477 0.646 -0.002) 0.803 8.978 ( -0.100 2.422 0.547) 2.485 9.036 ( 0.370 -0.213 -1.187) 1.262 9.055 ( -1.531 5.363 -0.327) 5.587 9.073 ( -1.611 4.886 0.301) 5.154 9.163 ( 0.291 -0.153 -0.128) 0.353 9.204 ( -0.022 -0.368 -0.215) 0.427 9.216 ( 1.222 -2.681 0.910) 3.084 9.257 ( 1.071 -2.533 -0.368) 2.774 10.184 ( -2.692 5.815 0.918) 6.473 10.265 ( -2.693 5.087 -0.508) 5.779 10.482 ( 2.346 -4.461 1.109) 5.161 10.574 ( 2.163 -5.930 -1.218) 6.429 ======================= Grid point 333 (129/171) ======================= q-point: ( 0.70 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( -6.958 6.973 -3.600) 10.488 1.537 ( -8.051 15.813 -3.455) 18.078 1.642 ( -3.140 5.817 2.954) 7.240 1.773 ( -9.131 13.335 3.797) 16.601 1.931 ( 7.708 -11.773 -2.143) 14.234 2.070 ( 5.035 -9.328 2.202) 10.826 2.182 ( 0.639 1.340 1.141) 1.873 2.241 ( 4.059 0.024 0.526) 4.093 2.272 ( 1.683 -2.380 -0.183) 2.920 2.322 ( 5.568 -4.426 0.507) 7.131 2.414 ( 0.357 1.657 -4.047) 4.388 2.463 ( -0.650 -0.353 -1.149) 1.367 2.518 ( -4.128 -4.307 -1.425) 6.133 2.605 ( -3.530 -0.022 1.083) 3.693 2.623 ( -4.875 6.241 0.843) 7.964 2.700 ( -5.065 0.740 -1.394) 5.305 2.887 ( 8.955 -7.709 0.271) 11.819 2.948 ( 6.728 -10.206 1.525) 12.319 3.123 ( 0.661 -1.232 -1.060) 1.754 3.134 ( 1.422 -0.756 -0.204) 1.623 3.212 ( 0.637 -1.883 2.387) 3.106 3.309 ( 0.970 -1.037 4.588) 4.802 3.360 ( -0.888 1.303 -2.608) 3.048 3.413 ( -0.873 1.791 -0.282) 2.013 3.673 ( -2.304 4.863 -0.972) 5.468 3.708 ( -0.852 1.997 -1.026) 2.401 4.181 ( -1.830 10.760 -0.127) 10.915 4.230 ( -3.764 10.128 -0.865) 10.840 4.490 ( 4.948 -15.384 -0.557) 16.169 4.557 ( 5.848 -15.469 0.281) 16.540 7.506 ( 0.008 0.943 0.074) 0.946 7.512 ( -0.327 0.630 -0.022) 0.710 7.679 ( -1.514 3.414 -0.266) 3.744 7.694 ( 0.030 3.523 0.290) 3.535 7.741 ( 0.026 -3.001 -0.401) 3.028 7.762 ( -0.820 -2.752 0.450) 2.907 8.039 ( -0.123 0.285 -0.513) 0.599 8.061 ( 0.090 0.224 0.141) 0.279 8.870 ( -0.251 0.419 0.015) 0.489 8.884 ( -0.997 0.844 0.264) 1.333 8.894 ( -1.164 2.359 -0.059) 2.631 8.905 ( -1.018 2.200 -0.177) 2.431 9.000 ( 0.116 1.651 0.336) 1.689 9.020 ( 0.455 -0.538 -0.588) 0.918 9.114 ( -1.133 2.368 -0.139) 2.629 9.129 ( -1.041 1.579 0.129) 1.896 9.154 ( 0.299 -0.660 -0.380) 0.818 9.168 ( 1.410 -2.688 0.749) 3.126 9.203 ( -0.050 0.137 -0.095) 0.174 9.217 ( 0.609 -1.583 -0.416) 1.746 10.283 ( -2.391 5.165 0.248) 5.697 10.359 ( -2.881 4.429 -0.240) 5.289 10.402 ( 3.189 -3.634 0.741) 4.892 10.478 ( 1.639 -5.697 -1.113) 6.032 ======================= Grid point 334 (130/171) ======================= q-point: (-0.20 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( 1.821 0.000 -1.697) 2.489 1.602 ( 11.208 -0.000 -1.866) 11.362 1.636 ( 15.014 -0.000 -0.560) 15.024 1.842 ( 12.624 -0.000 2.327) 12.837 1.853 ( -17.083 0.000 -2.881) 17.324 2.104 ( -13.954 -0.000 5.083) 14.851 2.183 ( 0.436 -0.000 0.803) 0.914 2.185 ( 5.637 -0.000 0.706) 5.681 2.228 ( -2.404 0.000 -1.115) 2.650 2.246 ( -0.123 -0.000 0.507) 0.522 2.424 ( -2.529 0.000 -4.044) 4.770 2.498 ( -2.015 0.000 -1.004) 2.252 2.535 ( -2.974 0.000 -0.305) 2.989 2.660 ( 1.153 0.000 -0.569) 1.286 2.665 ( 5.682 -0.000 2.095) 6.055 2.776 ( 4.636 -0.000 1.182) 4.784 2.822 ( -8.157 0.000 -2.411) 8.505 2.877 ( -13.241 0.000 -3.348) 13.658 3.123 ( -2.563 0.000 -0.319) 2.583 3.143 ( -3.917 0.000 0.551) 3.956 3.217 ( -0.854 -0.000 3.304) 3.412 3.319 ( -0.473 -0.000 4.163) 4.190 3.351 ( 0.717 0.000 -3.512) 3.585 3.413 ( 1.486 0.000 -1.047) 1.818 3.672 ( 4.801 0.000 -1.039) 4.912 3.680 ( 5.771 -0.000 -1.006) 5.858 4.145 ( 9.705 -0.000 -0.875) 9.744 4.214 ( 10.321 -0.000 1.030) 10.372 4.531 ( -15.535 0.000 -0.912) 15.562 4.560 ( -15.503 0.000 -0.118) 15.504 7.487 ( 2.537 -0.000 -0.105) 2.539 7.495 ( 2.554 -0.000 0.138) 2.557 7.678 ( 2.131 -0.000 -0.118) 2.134 7.684 ( 2.302 -0.000 0.071) 2.303 7.775 ( -4.778 0.000 -0.350) 4.791 7.806 ( -4.111 0.000 0.567) 4.150 8.028 ( 1.295 0.000 -0.520) 1.395 8.049 ( 1.578 -0.000 0.058) 1.579 8.863 ( 0.864 0.000 -0.597) 1.050 8.886 ( 2.995 -0.000 -0.467) 3.031 8.906 ( 2.921 -0.000 0.159) 2.925 8.908 ( -1.062 -0.000 0.654) 1.247 9.000 ( 0.872 0.000 -0.175) 0.890 9.008 ( 0.740 -0.000 0.073) 0.744 9.114 ( 3.197 -0.000 -0.122) 3.200 9.120 ( 1.270 -0.000 0.431) 1.342 9.155 ( -1.033 0.000 -0.121) 1.040 9.161 ( -1.686 0.000 -0.393) 1.731 9.202 ( 0.007 0.000 -0.493) 0.493 9.228 ( -2.235 0.000 0.172) 2.241 10.312 ( 4.633 -0.000 -0.086) 4.634 10.320 ( 4.784 -0.000 0.414) 4.802 10.400 ( -3.651 0.000 -2.056) 4.190 10.489 ( -5.499 0.000 0.781) 5.554 ======================= Grid point 341 (131/171) ======================= q-point: ( 0.50 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( 0.000 10.380 4.212) 11.202 0.877 ( 0.000 20.302 3.588) 20.617 1.099 ( 0.000 8.221 -2.534) 8.603 1.158 ( 0.000 7.665 -3.871) 8.587 1.938 ( 0.000 24.277 -0.934) 24.295 1.954 ( 0.000 29.420 -0.836) 29.432 2.171 ( 0.000 2.173 1.314) 2.540 2.176 ( -0.000 -2.052 0.595) 2.136 2.305 ( 0.000 3.055 3.586) 4.710 2.337 ( 0.000 0.034 0.995) 0.996 2.435 ( -0.000 -5.009 -0.376) 5.023 2.500 ( -0.000 -5.874 3.152) 6.666 2.707 ( -0.000 -0.607 -9.078) 9.099 2.748 ( -0.000 -2.138 -5.431) 5.837 2.854 ( 0.000 8.344 0.841) 8.386 2.862 ( 0.000 2.772 0.860) 2.903 2.977 ( -0.000 -20.875 -0.067) 20.875 2.978 ( -0.000 -12.884 -0.380) 12.890 3.137 ( 0.000 -0.552 4.514) 4.548 3.139 ( 0.000 -1.691 2.557) 3.066 3.391 ( 0.000 -3.259 3.459) 4.752 3.434 ( 0.000 -3.416 3.504) 4.894 3.607 ( -0.000 -5.637 -1.938) 5.960 3.700 ( -0.000 -2.451 -2.413) 3.439 3.875 ( -0.000 -13.838 0.399) 13.844 3.893 ( -0.000 -13.799 -0.134) 13.800 4.067 ( -0.000 -12.870 -0.613) 12.884 4.088 ( -0.000 -10.629 -0.990) 10.675 5.134 ( -0.000 -10.149 0.657) 10.170 5.177 ( -0.000 -10.894 -0.562) 10.909 7.365 ( 0.000 2.036 0.208) 2.047 7.375 ( 0.000 1.805 -0.093) 1.808 7.502 ( 0.000 6.554 0.628) 6.584 7.547 ( 0.000 7.048 -0.666) 7.080 7.837 ( -0.000 -1.192 0.512) 1.297 7.874 ( -0.000 -0.616 -0.534) 0.815 7.962 ( 0.000 1.426 0.667) 1.574 8.016 ( -0.000 0.279 -0.891) 0.934 8.646 ( 0.000 5.207 0.588) 5.240 8.674 ( 0.000 4.407 -0.253) 4.415 8.830 ( 0.000 1.907 1.292) 2.303 8.859 ( 0.000 1.893 0.011) 1.893 8.865 ( 0.000 9.162 0.222) 9.165 8.870 ( 0.000 9.811 -0.023) 9.811 8.929 ( 0.000 2.762 1.131) 2.985 9.060 ( -0.000 -0.713 -2.303) 2.410 9.166 ( 0.000 0.074 0.451) 0.457 9.219 ( -0.000 -0.920 -1.038) 1.387 9.264 ( 0.000 -0.641 1.208) 1.368 9.312 ( -0.000 -1.212 -0.340) 1.259 10.025 ( 0.000 5.292 1.506) 5.502 10.117 ( 0.000 5.315 -1.118) 5.432 10.621 ( -0.000 -5.415 1.386) 5.590 10.719 ( -0.000 -5.091 -1.434) 5.289 ======================= Grid point 342 (132/171) ======================= q-point: ( 0.60 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( -2.383 13.274 2.044) 13.640 1.123 ( -2.962 17.755 1.269) 18.045 1.171 ( -1.611 13.263 -0.782) 13.383 1.294 ( -6.607 9.849 -1.710) 11.983 2.125 ( -0.686 10.437 -0.712) 10.484 2.152 ( -0.289 -1.315 1.288) 1.863 2.196 ( -0.786 14.836 -3.368) 15.233 2.210 ( -0.754 6.807 -0.251) 6.853 2.336 ( 0.916 0.596 1.843) 2.142 2.361 ( -0.225 3.269 2.813) 4.319 2.433 ( -3.133 -3.796 0.781) 4.983 2.469 ( -0.268 -0.647 3.391) 3.462 2.615 ( 5.672 0.097 -5.623) 7.988 2.682 ( 2.690 -4.836 -3.838) 6.734 2.726 ( 4.263 -16.610 0.091) 17.148 2.774 ( 2.466 -14.703 0.920) 14.937 2.989 ( -4.154 9.945 -0.345) 10.783 3.013 ( -2.984 8.985 -0.021) 9.468 3.149 ( -0.244 1.193 3.531) 3.735 3.152 ( -0.675 1.003 1.846) 2.207 3.354 ( 2.301 -3.182 2.831) 4.841 3.418 ( 0.461 -3.268 4.335) 5.448 3.526 ( 2.283 -9.135 -0.453) 9.427 3.597 ( 8.849 -13.009 -0.941) 15.761 3.665 ( 7.486 -11.577 -0.292) 13.790 3.695 ( 2.249 -4.330 -2.701) 5.577 4.029 ( -7.966 -12.184 -0.321) 14.560 4.058 ( -7.398 -10.476 -1.255) 12.886 4.991 ( 6.905 -8.608 0.029) 11.035 5.039 ( 5.317 -9.231 0.067) 10.653 7.404 ( -2.414 1.663 0.084) 2.933 7.414 ( -2.606 1.528 0.031) 3.021 7.564 ( 0.094 6.083 0.677) 6.122 7.604 ( 0.427 6.292 -0.743) 6.350 7.817 ( 0.944 -1.856 0.653) 2.182 7.851 ( 1.230 -1.607 -0.692) 2.139 7.990 ( -1.361 1.214 0.497) 1.890 8.025 ( -1.105 0.380 -0.695) 1.359 8.717 ( -2.620 4.727 0.479) 5.426 8.736 ( -2.562 4.002 -0.236) 4.758 8.850 ( -0.343 1.061 1.101) 1.567 8.870 ( -0.160 0.900 0.158) 0.927 8.951 ( -0.541 3.790 0.606) 3.876 8.966 ( -0.877 8.348 0.010) 8.394 8.982 ( -1.433 6.918 0.293) 7.071 9.043 ( 0.228 -0.298 -1.949) 1.985 9.168 ( 0.103 -0.040 0.316) 0.335 9.207 ( -0.100 -0.770 -0.759) 1.085 9.255 ( 0.515 -1.602 1.146) 2.036 9.291 ( 0.630 -1.897 -0.398) 2.038 10.098 ( -1.559 5.871 1.655) 6.296 10.176 ( -1.459 5.631 -1.140) 5.927 10.565 ( 1.305 -5.298 1.692) 5.712 10.652 ( 1.210 -5.663 -1.621) 6.013 ======================= Grid point 343 (133/171) ======================= q-point: ( 0.70 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( -7.554 10.743 -1.007) 13.171 1.280 ( -1.856 17.655 -3.529) 18.099 1.446 ( -9.795 12.808 4.159) 16.652 1.517 ( -7.050 13.602 0.316) 15.324 2.109 ( 1.890 -7.103 1.448) 7.491 2.164 ( 1.356 1.974 -0.160) 2.401 2.244 ( 2.038 -5.727 0.568) 6.105 2.277 ( -1.413 0.915 -1.658) 2.362 2.321 ( -0.600 -2.290 -0.837) 2.511 2.378 ( 1.344 -0.264 -1.323) 1.905 2.430 ( -1.367 -3.779 0.387) 4.037 2.474 ( 3.274 0.199 2.424) 4.078 2.511 ( 1.550 -1.880 -1.376) 2.798 2.560 ( 6.736 1.912 -1.795) 7.228 2.587 ( -1.139 -0.729 -0.817) 1.580 2.682 ( 1.231 -1.836 0.915) 2.392 3.064 ( 3.496 -0.406 2.085) 4.091 3.095 ( 0.495 1.107 0.622) 1.363 3.190 ( 0.556 1.175 0.862) 1.560 3.238 ( 5.347 -10.123 0.090) 11.448 3.264 ( -1.591 2.140 1.373) 3.000 3.301 ( 4.088 -7.053 -0.614) 8.175 3.355 ( 3.212 -2.632 1.639) 4.464 3.401 ( 1.345 -2.328 3.200) 4.179 3.578 ( -1.200 2.597 -1.359) 3.167 3.663 ( -0.282 1.209 -2.717) 2.988 4.071 ( -7.725 -5.871 0.134) 9.703 4.102 ( -8.084 -5.800 -1.373) 10.044 4.755 ( 10.941 -9.308 -0.559) 14.376 4.825 ( 9.872 -9.689 0.528) 13.842 7.467 ( -3.062 1.305 0.028) 3.329 7.476 ( -2.782 1.130 0.028) 3.003 7.619 ( -0.416 4.985 0.348) 5.014 7.649 ( -0.006 5.037 -0.325) 5.048 7.780 ( 1.095 -2.701 0.467) 2.952 7.803 ( 1.606 -2.503 -0.514) 3.018 8.022 ( -1.173 0.580 -0.093) 1.312 8.048 ( -1.113 0.584 -0.133) 1.264 8.814 ( -3.307 4.122 0.178) 5.287 8.822 ( -3.312 3.439 -0.034) 4.775 8.869 ( -0.580 0.472 0.684) 1.014 8.881 ( -0.436 0.483 -0.059) 0.653 8.983 ( -0.128 2.087 0.822) 2.247 9.025 ( 0.265 0.105 -1.497) 1.524 9.053 ( -1.288 5.785 -0.220) 5.931 9.075 ( -1.754 4.767 0.254) 5.086 9.162 ( 0.398 -0.304 -0.166) 0.528 9.203 ( -0.144 -0.264 -0.171) 0.346 9.224 ( 1.255 -2.723 1.050) 3.177 9.253 ( 1.117 -2.545 -0.563) 2.836 10.192 ( -2.337 5.735 1.073) 6.285 10.260 ( -2.796 5.439 -0.678) 6.153 10.493 ( 2.397 -4.820 1.522) 5.594 10.563 ( 2.148 -5.778 -1.617) 6.373 ======================= Grid point 344 (134/171) ======================= q-point: ( 0.80 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( -7.370 6.313 -2.426) 10.003 1.514 ( -7.953 15.692 -2.290) 17.741 1.661 ( -2.405 6.010 1.782) 6.714 1.800 ( -9.313 13.997 2.718) 17.030 1.916 ( 8.716 -11.546 -1.426) 14.537 2.084 ( 4.517 -8.039 1.312) 9.314 2.194 ( 0.901 -0.019 1.968) 2.165 2.239 ( 3.298 -0.642 -0.991) 3.503 2.275 ( 1.468 -2.267 0.966) 2.868 2.327 ( 4.797 -4.349 0.455) 6.491 2.382 ( 1.199 1.245 -3.683) 4.068 2.454 ( -0.454 0.379 -1.166) 1.308 2.509 ( -4.214 -4.195 -0.819) 6.002 2.608 ( -5.100 2.931 -0.025) 5.883 2.635 ( -3.876 3.125 1.908) 5.332 2.688 ( -4.281 -0.015 -1.697) 4.605 2.890 ( 9.825 -7.982 0.309) 12.663 2.958 ( 6.836 -9.988 0.828) 12.132 3.116 ( 0.984 -1.386 -0.609) 1.806 3.133 ( 1.469 -0.417 -0.014) 1.528 3.236 ( 0.506 -1.312 3.633) 3.895 3.330 ( 0.130 0.934 -2.175) 2.371 3.349 ( 0.596 -1.091 2.676) 2.951 3.408 ( -0.569 1.671 -0.925) 1.993 3.666 ( -2.240 4.842 -0.760) 5.389 3.700 ( -1.189 2.512 -0.955) 2.938 4.180 ( -1.731 10.457 -0.033) 10.599 4.223 ( -4.280 10.241 -0.755) 11.125 4.486 ( 4.594 -15.595 -0.447) 16.263 4.559 ( 6.426 -15.215 0.218) 16.518 7.507 ( 0.078 0.800 0.071) 0.807 7.512 ( -0.384 0.818 -0.028) 0.904 7.677 ( -1.470 3.333 -0.173) 3.647 7.696 ( 0.034 3.475 0.208) 3.481 7.738 ( 0.248 -3.010 -0.292) 3.035 7.765 ( -1.141 -2.640 0.317) 2.893 8.035 ( -0.117 0.140 -0.367) 0.409 8.062 ( 0.129 0.331 0.065) 0.361 8.871 ( 0.069 0.361 0.149) 0.397 8.884 ( -0.791 1.924 -0.169) 2.087 8.895 ( -1.201 1.023 0.214) 1.592 8.903 ( -1.308 2.312 -0.149) 2.660 9.002 ( 0.151 1.322 0.390) 1.386 9.015 ( 0.304 -0.034 -0.594) 0.668 9.113 ( -1.148 2.850 -0.090) 3.074 9.131 ( -0.959 1.125 0.240) 1.498 9.151 ( 0.288 -0.559 -0.491) 0.798 9.174 ( 1.689 -2.910 0.671) 3.431 9.202 ( -0.032 0.094 -0.059) 0.115 9.214 ( 0.449 -1.458 -0.404) 1.578 10.285 ( -2.244 5.057 0.225) 5.537 10.356 ( -2.036 5.275 -0.304) 5.663 10.409 ( 2.877 -4.555 0.951) 5.471 10.468 ( 1.282 -5.542 -1.167) 5.807 ======================= Grid point 345 (135/171) ======================= q-point: (-0.10 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( 1.009 0.000 -0.895) 1.349 1.585 ( 13.794 -0.000 -1.813) 13.913 1.638 ( 13.497 -0.000 0.471) 13.505 1.836 ( -18.003 0.000 -1.493) 18.065 1.856 ( 12.869 -0.000 1.096) 12.916 2.138 ( -14.595 -0.000 3.341) 14.972 2.187 ( 0.496 -0.000 0.033) 0.497 2.190 ( 6.493 -0.000 0.436) 6.507 2.221 ( -2.288 0.000 -0.564) 2.356 2.251 ( 0.303 -0.000 0.631) 0.700 2.397 ( -2.927 0.000 -2.656) 3.952 2.490 ( -2.366 0.000 -0.850) 2.514 2.534 ( -3.210 0.000 -0.103) 3.212 2.647 ( 8.314 -0.000 -1.207) 8.401 2.690 ( -0.194 -0.000 2.734) 2.741 2.785 ( 1.194 -0.000 1.007) 1.562 2.805 ( -3.833 0.000 -1.699) 4.193 2.851 ( -12.460 0.000 -2.838) 12.779 3.121 ( -3.410 0.000 -0.181) 3.415 3.147 ( -4.418 0.000 0.321) 4.430 3.247 ( -0.874 -0.000 4.082) 4.174 3.321 ( 0.364 0.000 -3.964) 3.981 3.350 ( -0.351 -0.000 3.515) 3.533 3.401 ( 1.467 0.000 -1.859) 2.368 3.665 ( 5.004 -0.000 -0.608) 5.040 3.673 ( 6.147 -0.000 -0.659) 6.182 4.140 ( 9.677 -0.000 -0.442) 9.687 4.220 ( 10.388 -0.000 0.538) 10.402 4.526 ( -15.619 0.000 -0.520) 15.628 4.559 ( -15.589 0.000 -0.113) 15.590 7.486 ( 2.547 -0.000 -0.053) 2.548 7.496 ( 2.569 -0.000 0.074) 2.570 7.677 ( 2.083 -0.000 -0.065) 2.084 7.685 ( 2.280 -0.000 0.036) 2.280 7.773 ( -4.823 0.000 -0.175) 4.826 7.810 ( -4.043 0.000 0.311) 4.055 8.025 ( 1.281 0.000 -0.293) 1.314 8.049 ( 1.612 -0.000 0.007) 1.612 8.860 ( 1.116 0.000 -0.308) 1.158 8.883 ( 2.917 -0.000 -0.268) 2.929 8.907 ( 2.953 -0.000 0.067) 2.954 8.912 ( -1.285 -0.000 0.347) 1.330 8.999 ( 0.943 -0.000 -0.094) 0.948 9.009 ( 0.751 -0.000 0.037) 0.752 9.113 ( 3.441 -0.000 -0.086) 3.443 9.123 ( 1.315 -0.000 0.422) 1.381 9.154 ( -1.044 0.000 -0.053) 1.046 9.157 ( -2.100 0.000 -0.465) 2.151 9.200 ( 0.386 0.000 -0.219) 0.444 9.229 ( -2.380 0.000 0.078) 2.382 10.311 ( 4.804 -0.000 -0.050) 4.805 10.323 ( 5.471 -0.000 0.373) 5.483 10.386 ( -4.079 0.000 -1.282) 4.276 10.494 ( -5.761 0.000 0.373) 5.773 ======================= Grid point 346 (136/171) ======================= q-point: ( 0.00 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( 0.727 -0.000 0.000) 0.727 1.577 ( 14.318 -0.000 0.000) 14.318 1.640 ( 13.344 -0.000 0.000) 13.344 1.830 ( -18.185 0.000 -0.000) 18.185 1.860 ( 12.822 -0.000 0.000) 12.822 2.153 ( -16.068 0.000 -0.000) 16.068 2.186 ( 1.506 -0.000 0.000) 1.506 2.191 ( 6.791 -0.000 0.000) 6.791 2.219 ( -2.023 0.000 -0.000) 2.023 2.254 ( 0.543 -0.000 0.000) 0.543 2.386 ( -3.145 0.000 -0.000) 3.145 2.486 ( -2.470 0.000 -0.000) 2.470 2.533 ( -3.304 0.000 -0.000) 3.304 2.642 ( 8.650 -0.000 0.000) 8.650 2.702 ( 0.224 -0.000 0.000) 0.224 2.792 ( -9.779 0.000 -0.000) 9.779 2.795 ( 7.443 -0.000 0.000) 7.443 2.838 ( -12.469 0.000 -0.000) 12.469 3.120 ( -3.629 0.000 -0.000) 3.629 3.148 ( -4.578 0.000 -0.000) 4.578 3.272 ( -1.468 0.000 -0.000) 1.468 3.296 ( 0.756 -0.000 0.000) 0.756 3.369 ( -1.031 0.000 -0.000) 1.031 3.388 ( 2.178 -0.000 0.000) 2.178 3.663 ( 5.085 -0.000 0.000) 5.085 3.670 ( 6.288 -0.000 0.000) 6.288 4.138 ( 9.670 -0.000 0.000) 9.670 4.223 ( 10.412 -0.000 0.000) 10.412 4.523 ( -15.652 0.000 -0.000) 15.652 4.559 ( -15.623 0.000 -0.000) 15.623 7.486 ( 2.551 -0.000 0.000) 2.551 7.497 ( 2.575 -0.000 0.000) 2.575 7.677 ( 2.066 -0.000 0.000) 2.066 7.685 ( 2.271 -0.000 0.000) 2.271 7.772 ( -4.838 0.000 -0.000) 4.838 7.811 ( -4.019 0.000 -0.000) 4.019 8.024 ( 1.277 -0.000 0.000) 1.277 8.049 ( 1.624 -0.000 0.000) 1.624 8.859 ( 1.208 -0.000 0.000) 1.208 8.882 ( 2.886 -0.000 0.000) 2.886 8.907 ( 2.934 -0.000 0.000) 2.934 8.913 ( -1.332 0.000 -0.000) 1.332 8.998 ( 0.971 -0.000 0.000) 0.971 9.009 ( 0.754 -0.000 0.000) 0.754 9.113 ( 3.527 -0.000 0.000) 3.527 9.125 ( 1.415 -0.000 0.000) 1.415 9.154 ( -1.046 0.000 -0.000) 1.046 9.155 ( -2.323 0.000 -0.000) 2.323 9.199 ( 0.513 -0.000 0.000) 0.513 9.229 ( -2.431 0.000 -0.000) 2.431 10.311 ( 4.868 -0.000 0.000) 4.868 10.325 ( 5.900 -0.000 0.000) 5.900 10.381 ( -4.417 0.000 -0.000) 4.417 10.495 ( -5.853 0.000 -0.000) 5.853 ======================= Grid point 352 (137/171) ======================= q-point: ( 0.60 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( 0.000 10.303 5.445) 11.653 0.910 ( 0.000 18.777 4.524) 19.314 1.075 ( -0.000 9.618 -3.420) 10.208 1.122 ( -0.000 7.922 -5.189) 9.470 1.932 ( -0.000 23.556 -0.541) 23.562 1.946 ( 0.000 27.427 -1.005) 27.445 2.180 ( 0.000 2.054 0.721) 2.177 2.180 ( -0.000 -1.184 0.411) 1.253 2.340 ( -0.000 3.282 4.817) 5.829 2.348 ( 0.000 -0.216 1.772) 1.785 2.433 ( 0.000 -4.409 0.076) 4.409 2.529 ( -0.000 -5.040 4.157) 6.533 2.632 ( 0.000 0.379 -9.461) 9.469 2.702 ( -0.000 -2.350 -6.000) 6.444 2.861 ( -0.000 8.744 0.791) 8.780 2.867 ( 0.000 4.025 0.554) 4.063 2.974 ( -0.000 -14.274 -0.423) 14.280 2.975 ( 0.000 -20.624 -0.341) 20.626 3.158 ( -0.000 -0.993 2.243) 2.454 3.167 ( -0.000 -0.726 2.777) 2.871 3.424 ( -0.000 -3.695 4.644) 5.935 3.469 ( 0.000 -3.454 5.059) 6.125 3.589 ( 0.000 -4.847 -2.505) 5.456 3.675 ( -0.000 -2.257 -3.815) 4.433 3.879 ( 0.000 -13.746 0.500) 13.755 3.892 ( 0.000 -13.759 -0.221) 13.761 4.063 ( -0.000 -12.973 -0.455) 12.981 4.079 ( 0.000 -11.204 -1.180) 11.266 5.140 ( -0.000 -10.231 0.892) 10.269 5.172 ( 0.000 -10.773 -0.796) 10.802 7.366 ( -0.000 2.015 0.267) 2.032 7.374 ( 0.000 1.847 -0.150) 1.853 7.508 ( 0.000 6.596 0.872) 6.654 7.541 ( -0.000 6.945 -0.916) 7.005 7.842 ( -0.000 -1.099 0.711) 1.309 7.869 ( 0.000 -0.682 -0.733) 1.001 7.968 ( -0.000 1.265 0.961) 1.589 8.008 ( -0.000 0.436 -1.183) 1.261 8.651 ( -0.000 5.074 0.732) 5.127 8.672 ( 0.000 4.522 -0.412) 4.540 8.840 ( 0.000 2.503 1.258) 2.802 8.859 ( 0.000 2.964 -0.082) 2.966 8.867 ( 0.000 8.219 0.258) 8.223 8.870 ( 0.000 8.581 -0.008) 8.581 8.942 ( 0.000 2.657 1.970) 3.308 9.038 ( -0.000 -0.197 -3.041) 3.047 9.171 ( 0.000 -0.046 0.796) 0.797 9.209 ( -0.000 -0.776 -1.292) 1.507 9.274 ( -0.000 -0.728 1.358) 1.541 9.309 ( 0.000 -1.129 -0.600) 1.279 10.039 ( -0.000 5.364 2.003) 5.726 10.106 ( 0.000 5.387 -1.617) 5.624 10.634 ( -0.000 -5.288 1.918) 5.625 10.705 ( 0.000 -5.038 -1.963) 5.407 ======================= Grid point 353 (138/171) ======================= q-point: ( 0.70 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( -0.648 13.480 3.094) 13.846 1.113 ( 1.433 14.850 -3.231) 15.265 1.184 ( -6.191 15.652 3.310) 17.155 1.277 ( -7.588 10.345 -2.510) 13.073 2.123 ( -0.994 11.845 0.236) 11.889 2.162 ( -1.653 5.972 0.484) 6.215 2.172 ( 0.421 7.328 -1.914) 7.586 2.204 ( -0.554 3.912 -1.093) 4.099 2.346 ( -0.109 -2.409 0.893) 2.571 2.389 ( 1.177 4.514 3.763) 5.993 2.441 ( -3.154 -2.371 1.499) 4.221 2.495 ( 0.764 -1.344 2.583) 3.010 2.570 ( 5.215 2.645 -5.303) 7.894 2.651 ( 0.994 -5.130 -3.673) 6.387 2.727 ( 4.616 -16.799 0.120) 17.422 2.780 ( 2.168 -14.421 0.650) 14.597 2.987 ( -3.352 10.529 -0.177) 11.051 3.013 ( -3.371 10.287 -0.063) 10.825 3.163 ( 0.283 0.971 1.070) 1.472 3.174 ( -0.627 0.488 2.262) 2.397 3.379 ( 2.929 -3.757 3.200) 5.739 3.454 ( 0.717 -3.766 4.416) 5.848 3.522 ( 1.880 -6.219 -0.151) 6.499 3.590 ( 7.711 -11.597 -1.021) 13.964 3.657 ( 7.619 -12.144 -2.008) 14.476 3.676 ( 3.863 -6.318 -1.623) 7.581 4.027 ( -8.183 -12.191 0.033) 14.683 4.048 ( -7.663 -10.998 -1.319) 13.469 4.991 ( 7.218 -8.787 0.028) 11.371 5.039 ( 5.039 -9.044 0.050) 10.353 7.404 ( -2.355 1.609 0.070) 2.853 7.414 ( -2.636 1.601 0.023) 3.085 7.570 ( 0.239 6.110 0.805) 6.167 7.597 ( 0.243 6.228 -0.859) 6.292 7.823 ( 1.003 -1.817 0.830) 2.235 7.844 ( 1.184 -1.650 -0.860) 2.205 7.995 ( -1.225 0.933 0.608) 1.656 8.019 ( -1.250 0.664 -0.769) 1.611 8.722 ( -2.562 4.620 0.544) 5.311 8.734 ( -2.542 4.150 -0.347) 4.879 8.858 ( -0.280 0.849 0.974) 1.322 8.870 ( -0.184 0.794 0.054) 0.817 8.957 ( -1.012 4.967 0.693) 5.116 8.966 ( -0.673 8.188 -0.020) 8.216 8.985 ( -0.955 5.309 0.617) 5.429 9.027 ( 0.074 0.625 -2.120) 2.211 9.171 ( 0.272 -0.248 0.390) 0.537 9.201 ( -0.337 -0.576 -0.714) 0.977 9.264 ( 0.561 -1.670 1.180) 2.120 9.287 ( 0.635 -1.864 -0.630) 2.068 10.112 ( -1.320 5.877 1.882) 6.311 10.165 ( -1.609 5.794 -1.470) 6.190 10.580 ( 1.361 -5.361 2.092) 5.914 10.637 ( 1.184 -5.555 -2.030) 6.032 ======================= Grid point 354 (139/171) ======================= q-point: ( 0.80 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( -6.906 8.857 -0.212) 11.233 1.256 ( -1.830 19.098 -2.268) 19.320 1.476 ( -9.464 11.974 3.310) 15.618 1.515 ( -7.734 15.067 -0.861) 16.959 2.118 ( 3.289 -6.561 0.757) 7.378 2.164 ( 1.247 0.228 0.134) 1.274 2.246 ( -0.465 -1.740 -0.183) 1.810 2.270 ( -1.856 0.819 -0.029) 2.029 2.315 ( 0.032 -3.261 -0.479) 3.297 2.364 ( 2.898 -2.446 -1.742) 4.173 2.434 ( -1.663 -6.121 0.521) 6.365 2.492 ( 3.449 -5.978 1.513) 7.065 2.505 ( 1.947 5.748 0.502) 6.090 2.543 ( 6.062 3.564 -2.463) 7.451 2.583 ( -1.348 -1.504 -0.281) 2.039 2.687 ( 1.372 -2.073 0.431) 2.523 3.078 ( 3.190 0.491 1.164) 3.431 3.099 ( 1.037 0.787 0.327) 1.342 3.195 ( 0.611 2.882 0.367) 2.969 3.240 ( 4.895 -10.490 0.343) 11.581 3.274 ( 1.442 -2.990 1.240) 3.544 3.295 ( 1.479 -2.116 -0.767) 2.694 3.365 ( 4.587 -3.551 1.047) 5.894 3.425 ( 1.872 -3.071 2.389) 4.318 3.569 ( -1.232 3.532 -0.596) 3.788 3.642 ( -0.878 1.366 -2.375) 2.877 4.074 ( -7.830 -6.098 0.497) 9.937 4.091 ( -8.261 -5.931 -1.262) 10.248 4.751 ( 10.979 -9.461 -0.316) 14.497 4.828 ( 9.902 -9.539 0.297) 13.753 7.467 ( -3.131 1.268 0.018) 3.378 7.476 ( -2.678 1.193 0.017) 2.931 7.622 ( -0.150 4.957 0.251) 4.966 7.647 ( -0.327 5.044 -0.237) 5.060 7.784 ( 1.364 -2.799 0.430) 3.143 7.799 ( 1.338 -2.400 -0.459) 2.786 8.021 ( -1.093 0.320 -0.055) 1.141 8.047 ( -1.170 0.815 -0.085) 1.428 8.815 ( -3.098 4.066 0.126) 5.113 8.821 ( -3.439 3.617 -0.036) 4.991 8.874 ( -0.453 0.330 0.584) 0.810 8.880 ( -0.451 0.334 -0.186) 0.591 8.991 ( -0.096 1.642 1.097) 1.978 9.013 ( 0.121 0.617 -1.517) 1.642 9.052 ( -1.124 5.981 -0.117) 6.086 9.076 ( -1.838 4.757 0.151) 5.102 9.161 ( 0.495 -0.457 -0.127) 0.685 9.202 ( -0.243 -0.168 -0.082) 0.306 9.232 ( 1.304 -2.777 1.004) 3.228 9.248 ( 1.130 -2.531 -0.726) 2.865 10.200 ( -1.942 5.613 0.803) 5.993 10.255 ( -2.988 5.769 -0.566) 6.521 10.506 ( 2.502 -5.196 1.546) 5.970 10.549 ( 2.073 -5.558 -1.597) 6.143 ======================= Grid point 355 (140/171) ======================= q-point: ( 0.90 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( -7.585 6.012 -0.852) 9.716 1.501 ( -7.886 15.648 -0.795) 17.541 1.670 ( -2.025 5.916 0.573) 6.279 1.815 ( -9.431 14.774 1.028) 17.558 1.908 ( 9.253 -11.643 -0.532) 14.882 2.091 ( 4.274 -7.325 0.426) 8.491 2.211 ( 1.576 -0.852 2.165) 2.811 2.228 ( 2.312 -1.228 -1.851) 3.206 2.285 ( 1.930 -2.062 1.159) 3.053 2.326 ( 1.611 -3.479 -0.719) 3.901 2.362 ( 3.844 0.050 -1.120) 4.004 2.446 ( -0.357 1.083 -0.533) 1.259 2.505 ( -4.170 -4.234 -0.267) 5.949 2.608 ( -5.154 3.486 -0.058) 6.223 2.650 ( -5.015 3.241 1.377) 6.128 2.675 ( -3.015 -1.116 -1.281) 3.461 2.891 ( 10.375 -8.250 0.115) 13.256 2.962 ( 6.857 -9.818 0.249) 11.978 3.113 ( 1.125 -1.471 -0.169) 1.860 3.133 ( 1.533 -0.247 0.004) 1.553 3.268 ( 0.635 -0.773 4.129) 4.248 3.302 ( -0.135 0.289 -4.010) 4.023 3.375 ( 1.114 -1.000 2.681) 3.070 3.398 ( -0.316 1.661 -1.576) 2.311 3.662 ( -2.196 4.816 -0.280) 5.301 3.694 ( -1.455 2.876 -0.402) 3.248 4.180 ( -1.633 10.216 0.009) 10.346 4.219 ( -4.631 10.373 -0.307) 11.364 4.483 ( 4.406 -15.727 -0.170) 16.333 4.560 ( 6.747 -15.065 0.081) 16.507 7.507 ( 0.138 0.677 0.031) 0.692 7.512 ( -0.435 0.968 -0.014) 1.062 7.676 ( -1.457 3.288 -0.060) 3.597 7.698 ( 0.053 3.453 0.077) 3.454 7.736 ( 0.339 -3.025 -0.109) 3.046 7.767 ( -1.295 -2.574 0.114) 2.884 8.033 ( -0.112 0.067 -0.132) 0.186 8.062 ( 0.152 0.381 0.017) 0.411 8.872 ( 0.361 0.201 0.110) 0.428 8.883 ( -0.803 2.491 -0.155) 2.622 8.896 ( -1.127 0.288 0.133) 1.171 8.903 ( -1.538 2.507 -0.069) 2.942 9.006 ( 0.259 0.924 0.335) 1.016 9.011 ( 0.123 0.478 -0.413) 0.643 9.113 ( -1.177 3.117 -0.031) 3.332 9.132 ( -0.961 0.968 0.168) 1.374 9.147 ( 0.368 -0.622 -0.274) 0.773 9.178 ( 1.926 -3.082 0.290) 3.646 9.202 ( -0.037 0.063 -0.032) 0.080 9.211 ( 0.285 -1.309 -0.175) 1.351 10.286 ( -2.158 4.986 0.093) 5.433 10.354 ( -1.567 5.617 -0.138) 5.833 10.415 ( 2.909 -4.978 0.518) 5.789 10.461 ( 0.894 -5.407 -0.586) 5.511 ======================= Grid point 363 (141/171) ======================= q-point: ( 0.70 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( 0.000 16.888 4.486) 17.473 0.951 ( 0.000 10.778 5.213) 11.973 1.047 ( -0.000 10.779 -3.221) 11.251 1.078 ( -0.000 8.223 -5.653) 9.978 1.930 ( -0.000 23.536 0.053) 23.536 1.938 ( 0.000 25.599 -0.927) 25.615 2.182 ( -0.000 -0.298 0.221) 0.371 2.183 ( 0.000 1.435 0.210) 1.450 2.363 ( -0.000 -0.438 1.947) 1.996 2.372 ( 0.000 1.898 2.474) 3.118 2.445 ( 0.000 -2.224 3.507) 4.153 2.558 ( -0.000 -0.668 -8.570) 8.596 2.566 ( -0.000 -2.565 4.517) 5.195 2.654 ( -0.000 -2.720 -5.997) 6.585 2.866 ( -0.000 8.638 0.615) 8.660 2.870 ( 0.000 5.925 0.178) 5.928 2.972 ( -0.000 -16.371 -0.262) 16.373 2.972 ( 0.000 -19.912 -0.298) 19.914 3.173 ( -0.000 -0.594 1.499) 1.612 3.181 ( 0.000 -0.634 0.847) 1.058 3.463 ( -0.000 -4.121 4.916) 6.415 3.505 ( 0.000 -4.147 2.777) 4.991 3.574 ( 0.000 -3.346 -0.200) 3.352 3.640 ( -0.000 -2.144 -5.077) 5.511 3.883 ( 0.000 -13.683 0.504) 13.693 3.890 ( -0.000 -13.710 -0.325) 13.714 4.061 ( -0.000 -12.872 0.023) 12.872 4.070 ( 0.000 -11.875 -1.047) 11.921 5.148 ( -0.000 -10.343 1.027) 10.394 5.165 ( 0.000 -10.629 -0.967) 10.672 7.369 ( -0.000 1.983 0.283) 2.003 7.373 ( 0.000 1.895 -0.210) 1.906 7.515 ( 0.000 6.657 1.039) 6.738 7.533 ( -0.000 6.836 -1.068) 6.919 7.848 ( -0.000 -0.988 0.844) 1.300 7.862 ( 0.000 -0.771 -0.857) 1.153 7.977 ( -0.000 1.066 1.192) 1.599 7.997 ( 0.000 0.631 -1.329) 1.471 8.657 ( -0.000 4.935 0.764) 4.994 8.668 ( 0.000 4.655 -0.573) 4.690 8.849 ( 0.000 3.518 0.897) 3.630 8.857 ( 0.000 3.963 -0.264) 3.972 8.869 ( 0.000 7.207 0.198) 7.210 8.870 ( 0.000 7.341 -0.013) 7.341 8.961 ( 0.000 2.127 2.810) 3.524 9.012 ( -0.000 0.495 -3.394) 3.430 9.179 ( 0.000 -0.213 1.084) 1.104 9.199 ( -0.000 -0.599 -1.360) 1.486 9.285 ( -0.000 -0.821 1.304) 1.541 9.303 ( 0.000 -1.027 -0.878) 1.352 10.056 ( -0.000 5.425 2.251) 5.873 10.091 ( 0.000 5.440 -2.013) 5.800 10.651 ( -0.000 -5.159 2.268) 5.635 10.688 ( 0.000 -5.021 -2.295) 5.520 ======================= Grid point 364 (142/171) ======================= q-point: ( 0.80 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( 0.660 13.270 3.820) 13.824 1.082 ( 1.762 14.366 -4.049) 15.029 1.211 ( -6.218 17.346 2.805) 18.639 1.256 ( -8.855 9.459 -2.323) 13.164 2.129 ( -1.165 12.658 1.074) 12.757 2.147 ( -1.360 14.264 -2.043) 14.473 2.179 ( 0.045 -0.178 1.576) 1.587 2.194 ( -0.447 1.612 -1.437) 2.205 2.351 ( -0.367 -3.229 0.304) 3.264 2.411 ( 0.011 2.234 1.277) 2.573 2.463 ( -0.974 -0.894 4.038) 4.249 2.496 ( 0.925 -1.096 -3.055) 3.375 2.543 ( 5.621 4.774 -0.784) 7.416 2.628 ( -0.715 -5.421 -1.832) 5.767 2.728 ( 4.857 -16.967 0.053) 17.649 2.784 ( 1.998 -14.246 0.234) 14.387 2.986 ( -2.888 10.731 -0.044) 11.113 3.012 ( -3.692 11.031 -0.041) 11.632 3.169 ( 0.652 0.838 0.351) 1.118 3.185 ( -0.714 0.309 0.713) 1.055 3.400 ( 3.546 -4.554 1.652) 6.004 3.477 ( 0.082 -4.733 1.087) 4.857 3.529 ( 3.741 -3.216 1.464) 5.146 3.581 ( 3.948 -8.155 -1.010) 9.116 3.638 ( 7.649 -13.163 -1.789) 15.329 3.670 ( 6.477 -9.480 -0.202) 11.484 4.029 ( -8.323 -12.021 0.386) 14.626 4.039 ( -7.829 -11.502 -0.880) 13.941 4.992 ( 7.410 -8.897 0.012) 11.578 5.040 ( 4.869 -8.928 0.018) 10.170 7.405 ( -2.316 1.573 0.028) 2.800 7.414 ( -2.657 1.650 0.008) 3.127 7.576 ( 0.489 6.148 0.557) 6.193 7.591 ( -0.032 6.168 -0.578) 6.195 7.830 ( 1.070 -1.792 0.926) 2.283 7.837 ( 1.125 -1.677 -0.937) 2.226 7.999 ( -1.020 0.548 0.408) 1.228 8.014 ( -1.462 1.050 -0.469) 1.860 8.726 ( -2.478 4.518 0.474) 5.175 8.730 ( -2.580 4.276 -0.399) 5.010 8.864 ( -0.232 0.773 0.478) 0.938 8.870 ( -0.208 0.685 -0.084) 0.721 8.961 ( -1.179 7.429 0.337) 7.529 8.966 ( -1.020 6.897 -0.030) 6.972 8.991 ( 0.034 2.712 0.847) 2.841 9.012 ( -0.364 2.247 -1.467) 2.708 9.173 ( 0.487 -0.467 0.210) 0.707 9.196 ( -0.588 -0.369 -0.328) 0.768 9.273 ( 0.606 -1.714 1.031) 2.090 9.281 ( 0.619 -1.837 -0.832) 2.110 10.126 ( -0.909 5.822 1.293) 6.033 10.154 ( -1.965 5.951 -1.137) 6.369 10.597 ( 1.520 -5.458 1.911) 5.979 10.621 ( 1.045 -5.429 -1.886) 5.842 ======================= Grid point 365 (143/171) ======================= q-point: ( 0.90 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( -6.706 7.534 -0.000) 10.086 1.247 ( -1.788 20.279 -0.000) 20.357 1.493 ( -9.275 8.700 -0.000) 12.717 1.508 ( -8.044 18.557 -0.000) 20.226 2.121 ( 3.973 -6.127 0.000) 7.303 2.165 ( 1.135 -0.717 0.000) 1.342 2.244 ( -1.730 -0.131 -0.000) 1.735 2.271 ( -2.322 1.534 -0.000) 2.783 2.313 ( 0.650 -4.403 0.000) 4.450 2.356 ( 3.714 -3.561 0.000) 5.146 2.437 ( -1.943 -6.583 0.000) 6.864 2.495 ( 1.763 -6.175 0.000) 6.422 2.521 ( 2.069 2.074 -0.000) 2.929 2.523 ( 7.610 8.272 -0.000) 11.240 2.582 ( -1.358 -1.600 0.000) 2.099 2.689 ( 1.440 -2.171 0.000) 2.605 3.082 ( 2.891 1.063 0.000) 3.081 3.101 ( 1.411 0.370 0.000) 1.459 3.196 ( 0.641 3.312 -0.000) 3.374 3.242 ( 4.613 -10.284 0.000) 11.271 3.281 ( 5.605 -10.559 0.000) 11.954 3.290 ( -2.566 5.437 -0.000) 6.012 3.370 ( 5.503 -4.338 0.000) 7.007 3.435 ( 1.888 -3.128 0.000) 3.654 3.568 ( -1.098 3.993 -0.000) 4.141 3.631 ( -1.315 1.404 -0.000) 1.924 4.077 ( -7.623 -6.306 0.000) 9.893 4.084 ( -8.577 -5.862 0.000) 10.389 4.750 ( 10.996 -9.513 0.000) 14.539 4.829 ( 9.912 -9.489 0.000) 13.722 7.467 ( -3.158 1.253 -0.000) 3.398 7.476 ( -2.637 1.217 -0.000) 2.905 7.623 ( -0.015 4.944 -0.000) 4.944 7.646 ( -0.485 5.049 -0.000) 5.072 7.786 ( 1.577 -2.900 0.000) 3.301 7.797 ( 1.125 -2.297 0.000) 2.558 8.021 ( -1.063 0.219 -0.000) 1.085 8.047 ( -1.192 0.905 -0.000) 1.497 8.815 ( -2.989 4.037 -0.000) 5.023 8.821 ( -3.517 3.689 -0.000) 5.097 8.877 ( -0.050 0.354 -0.000) 0.357 8.878 ( -0.812 0.200 -0.000) 0.837 9.000 ( 0.055 1.017 -0.000) 1.018 9.002 ( -0.071 1.273 -0.000) 1.275 9.051 ( -1.068 6.044 -0.000) 6.138 9.077 ( -1.865 4.766 -0.000) 5.118 9.161 ( 0.534 -0.522 0.000) 0.747 9.201 ( -0.279 -0.128 -0.000) 0.308 9.238 ( 1.464 -2.993 0.000) 3.331 9.243 ( 0.994 -2.329 0.000) 2.532 10.204 ( -1.734 5.536 -0.000) 5.801 10.252 ( -3.118 5.923 -0.000) 6.693 10.513 ( 2.643 -5.452 0.000) 6.059 10.541 ( 1.944 -5.358 0.000) 5.699 ======================= Grid point 375 (144/171) ======================= q-point: (-0.20 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( 0.000 14.135 -0.535) 14.145 0.973 ( 0.000 14.135 0.535) 14.145 1.040 ( 0.000 9.209 -2.130) 9.452 1.040 ( 0.000 9.209 2.130) 9.452 1.932 ( 0.000 24.245 -0.587) 24.252 1.932 ( 0.000 24.245 0.587) 24.252 2.184 ( 0.000 0.598 -0.023) 0.598 2.184 ( 0.000 0.598 0.023) 0.598 2.376 ( -0.000 -0.209 -0.976) 0.998 2.376 ( 0.000 -0.209 0.976) 0.998 2.491 ( -0.000 0.385 -7.570) 7.580 2.491 ( 0.000 0.385 7.570) 7.580 2.608 ( -0.000 -3.238 -5.459) 6.347 2.608 ( 0.000 -3.238 5.459) 6.347 2.870 ( 0.000 7.685 -0.228) 7.688 2.870 ( 0.000 7.685 0.228) 7.688 2.971 ( -0.000 -18.470 -0.004) 18.470 2.971 ( -0.000 -18.470 0.004) 18.470 3.182 ( -0.000 -0.519 -0.458) 0.692 3.182 ( 0.000 -0.519 0.458) 0.692 3.498 ( -0.000 -4.574 -3.442) 5.724 3.498 ( 0.000 -4.574 3.442) 5.724 3.598 ( -0.000 -2.199 -5.053) 5.510 3.598 ( 0.000 -2.199 5.053) 5.510 3.887 ( -0.000 -13.675 -0.352) 13.679 3.887 ( -0.000 -13.675 0.352) 13.679 4.064 ( -0.000 -12.485 -0.586) 12.499 4.064 ( -0.000 -12.485 0.586) 12.499 5.156 ( -0.000 -10.480 -0.944) 10.522 5.156 ( -0.000 -10.480 0.944) 10.522 7.371 ( 0.000 1.942 -0.242) 1.957 7.371 ( 0.000 1.942 0.242) 1.957 7.524 ( 0.000 6.738 -1.100) 6.827 7.524 ( 0.000 6.738 1.100) 6.827 7.855 ( -0.000 -0.875 -0.892) 1.250 7.855 ( 0.000 -0.875 0.892) 1.250 7.987 ( -0.000 0.848 -1.324) 1.572 7.987 ( 0.000 0.848 1.324) 1.572 8.663 ( 0.000 4.795 -0.700) 4.845 8.663 ( 0.000 4.795 0.700) 4.845 8.854 ( 0.000 4.199 -0.473) 4.226 8.854 ( 0.000 4.199 0.473) 4.226 8.870 ( 0.000 6.795 -0.021) 6.795 8.870 ( 0.000 6.795 0.021) 6.795 8.985 ( -0.000 1.316 -3.324) 3.575 8.985 ( 0.000 1.316 3.324) 3.575 9.188 ( -0.000 -0.404 -1.261) 1.324 9.188 ( 0.000 -0.404 1.261) 1.324 9.295 ( -0.000 -0.921 -1.126) 1.455 9.295 ( 0.000 -0.921 1.126) 1.455 10.074 ( 0.000 5.454 -2.234) 5.894 10.074 ( 0.000 5.454 2.234) 5.894 10.669 ( -0.000 -5.062 -2.395) 5.600 10.669 ( -0.000 -5.062 2.395) 5.600 ======================= Grid point 393 (145/171) ======================= q-point: ( 0.40 0.70 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( 4.570 -0.000 2.661) 5.288 1.587 ( 7.597 0.000 -2.378) 7.960 1.698 ( 14.941 0.000 5.577) 15.948 1.784 ( 13.535 0.000 -4.834) 14.372 1.918 ( -15.594 -0.000 5.125) 16.415 2.010 ( -14.168 -0.000 -6.200) 15.465 2.173 ( 1.061 0.000 -0.328) 1.110 2.174 ( 3.067 -0.000 -0.476) 3.104 2.242 ( -1.667 -0.000 0.480) 1.735 2.244 ( -0.863 0.000 0.103) 0.869 2.486 ( -1.637 -0.000 2.898) 3.329 2.507 ( -1.208 -0.000 -0.087) 1.211 2.550 ( -2.669 0.000 1.937) 3.297 2.600 ( -2.568 0.000 -3.903) 4.672 2.707 ( 7.558 -0.000 3.076) 8.160 2.750 ( 7.086 -0.000 -2.224) 7.427 2.869 ( -13.587 -0.000 3.228) 13.965 2.905 ( -15.762 0.000 -0.491) 15.769 3.127 ( 0.502 0.000 0.219) 0.548 3.133 ( -1.706 -0.000 -0.561) 1.796 3.198 ( -2.036 -0.000 1.439) 2.493 3.249 ( -1.305 -0.000 -4.264) 4.459 3.395 ( 1.545 0.000 2.009) 2.534 3.416 ( 1.759 -0.000 -0.579) 1.852 3.689 ( 4.468 -0.000 0.851) 4.548 3.693 ( 4.839 0.000 0.400) 4.855 4.165 ( 9.858 0.000 1.574) 9.983 4.192 ( 10.102 0.000 -1.669) 10.239 4.548 ( -15.341 0.000 0.999) 15.373 4.559 ( -15.324 -0.000 -0.356) 15.328 7.489 ( 2.514 -0.000 0.192) 2.521 7.492 ( 2.519 0.000 -0.213) 2.528 7.680 ( 2.260 0.000 0.160) 2.266 7.683 ( 2.329 -0.000 -0.131) 2.333 7.783 ( -4.600 -0.000 0.661) 4.648 7.795 ( -4.343 0.000 -0.792) 4.415 8.038 ( 1.360 -0.000 0.620) 1.495 8.046 ( 1.470 0.000 -0.338) 1.508 8.877 ( 0.096 -0.000 1.010) 1.014 8.894 ( -0.678 0.000 -1.051) 1.251 8.894 ( 3.163 -0.000 0.563) 3.212 8.902 ( 3.184 0.000 -0.382) 3.207 9.003 ( 0.726 0.000 0.234) 0.762 9.006 ( 0.699 -0.000 -0.158) 0.717 9.115 ( 2.403 -0.000 0.035) 2.403 9.116 ( 1.640 0.000 -0.090) 1.643 9.158 ( -0.960 0.000 0.273) 0.998 9.162 ( -1.041 -0.000 -0.177) 1.056 9.213 ( -1.009 -0.000 0.740) 1.251 9.223 ( -1.735 0.000 -0.453) 1.793 10.313 ( 4.207 0.000 0.107) 4.208 10.315 ( 4.112 -0.000 -0.184) 4.116 10.437 ( -3.783 -0.000 2.354) 4.456 10.470 ( -4.642 0.000 -1.692) 4.941 ======================= Grid point 404 (146/171) ======================= q-point: ( 0.40 -0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( -5.710 10.064 2.304) 11.798 1.587 ( -5.401 5.532 -0.733) 7.766 1.597 ( -7.951 14.521 0.713) 16.571 1.714 ( -8.473 11.801 -2.213) 14.695 1.968 ( 4.095 -11.414 1.622) 12.235 2.030 ( 7.478 -12.008 -1.692) 14.247 2.178 ( 1.085 3.478 0.196) 3.649 2.224 ( 4.436 0.481 -0.774) 4.529 2.281 ( 2.261 -2.720 0.328) 3.552 2.319 ( 5.880 -4.141 -0.027) 7.192 2.458 ( -1.194 2.219 1.012) 2.716 2.475 ( -1.002 -1.346 0.236) 1.694 2.548 ( -2.749 -3.630 1.766) 4.883 2.575 ( -0.101 -3.247 -1.745) 3.688 2.625 ( -7.992 9.396 0.217) 12.337 2.712 ( -5.800 2.065 0.154) 6.159 2.891 ( 7.360 -6.877 0.634) 10.093 2.919 ( 6.585 -11.364 -1.353) 13.203 3.131 ( 0.048 -0.179 0.037) 0.189 3.147 ( 1.511 -2.587 0.550) 3.046 3.207 ( 0.838 -1.938 2.092) 2.973 3.236 ( 0.702 -1.878 -3.910) 4.394 3.388 ( -2.118 3.299 0.706) 3.984 3.412 ( -0.615 0.921 -0.161) 1.119 3.685 ( -2.468 4.913 0.309) 5.507 3.719 ( -0.423 1.258 0.257) 1.352 4.183 ( -1.940 11.131 0.071) 11.299 4.240 ( -2.962 10.097 0.244) 10.525 4.497 ( 5.699 -15.041 0.177) 16.086 4.553 ( 4.703 -15.920 -0.095) 16.601 7.505 ( -0.078 1.107 -0.019) 1.110 7.512 ( -0.263 0.396 0.002) 0.476 7.684 ( -2.099 3.600 0.209) 4.173 7.690 ( 0.537 3.581 -0.209) 3.627 7.748 ( -1.343 -2.954 0.311) 3.259 7.754 ( 0.707 -3.003 -0.333) 3.103 8.047 ( -0.132 0.779 0.254) 0.830 8.058 ( 0.027 -0.212 -0.140) 0.255 8.873 ( -0.816 0.371 0.367) 0.969 8.876 ( -1.010 0.336 -0.504) 1.178 8.896 ( -1.361 3.282 0.068) 3.554 8.907 ( -0.555 2.134 0.063) 2.206 8.996 ( 0.110 2.023 -0.085) 2.028 9.027 ( 0.651 -1.177 0.163) 1.355 9.116 ( -1.240 1.457 0.075) 1.914 9.128 ( -1.129 2.619 -0.010) 2.851 9.157 ( 1.229 -2.375 0.018) 2.674 9.160 ( 0.242 -1.055 -0.198) 1.100 9.205 ( -0.078 0.235 0.054) 0.253 9.221 ( 0.744 -1.694 0.102) 1.853 10.280 ( -2.639 5.329 -0.066) 5.947 10.360 ( -4.194 2.131 -0.010) 4.705 10.396 ( 3.864 -1.255 -0.079) 4.063 10.489 ( 2.004 -5.897 0.267) 6.234 ======================= Grid point 405 (147/171) ======================= q-point: (-0.50 -0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( 6.158 0.000 -2.199) 6.539 1.567 ( 6.158 0.000 2.199) 6.539 1.743 ( 14.148 0.000 -5.238) 15.086 1.743 ( 14.148 -0.000 5.238) 15.086 1.962 ( -14.773 0.000 -5.535) 15.776 1.962 ( -14.773 0.000 5.535) 15.776 2.172 ( 1.902 0.000 -0.064) 1.903 2.172 ( 1.902 0.000 0.064) 1.903 2.244 ( -1.251 0.000 -0.003) 1.251 2.244 ( -1.251 0.000 0.003) 1.251 2.502 ( -1.230 0.000 -1.163) 1.693 2.502 ( -1.230 -0.000 1.163) 1.693 2.571 ( -2.696 0.000 -3.233) 4.209 2.571 ( -2.696 -0.000 3.233) 4.209 2.730 ( 7.333 0.000 -2.657) 7.799 2.730 ( 7.333 -0.000 2.657) 7.799 2.892 ( -15.240 0.000 -1.780) 15.344 2.892 ( -15.240 0.000 1.780) 15.344 3.130 ( -0.183 0.000 -0.354) 0.399 3.130 ( -0.183 -0.000 0.354) 0.399 3.218 ( -1.826 0.000 -3.390) 3.851 3.218 ( -1.826 -0.000 3.390) 3.851 3.408 ( 1.741 0.000 -1.282) 2.162 3.408 ( 1.741 -0.000 1.282) 2.162 3.693 ( 4.547 -0.000 -0.226) 4.553 3.693 ( 4.547 -0.000 0.226) 4.553 4.178 ( 9.976 0.000 -1.428) 10.077 4.178 ( 9.976 0.000 1.428) 10.077 4.555 ( -15.301 0.000 -0.356) 15.305 4.555 ( -15.301 0.000 0.356) 15.305 7.491 ( 2.512 0.000 -0.123) 2.515 7.491 ( 2.512 0.000 0.123) 2.515 7.682 ( 2.308 0.000 -0.026) 2.308 7.682 ( 2.308 0.000 0.026) 2.308 7.789 ( -4.477 0.000 -0.494) 4.504 7.789 ( -4.477 0.000 0.494) 4.504 8.043 ( 1.411 0.000 -0.420) 1.472 8.043 ( 1.411 0.000 0.420) 1.472 8.885 ( -0.310 0.000 -1.084) 1.127 8.885 ( -0.310 -0.000 1.084) 1.127 8.899 ( 3.198 -0.000 -0.486) 3.234 8.899 ( 3.198 -0.000 0.486) 3.234 9.005 ( 0.696 0.000 -0.060) 0.699 9.005 ( 0.696 0.000 0.060) 0.699 9.115 ( 1.987 0.000 -0.002) 1.987 9.115 ( 1.987 0.000 0.002) 1.987 9.160 ( -0.951 0.000 -0.186) 0.969 9.160 ( -0.951 0.000 0.186) 0.969 9.219 ( -1.406 0.000 -0.581) 1.522 9.219 ( -1.406 -0.000 0.581) 1.522 10.314 ( 4.089 0.000 -0.016) 4.089 10.314 ( 4.089 0.000 0.016) 4.089 10.454 ( -4.174 0.000 -1.658) 4.491 10.454 ( -4.174 0.000 1.658) 4.491 ======================= Grid point 415 (148/171) ======================= q-point: ( 0.40 -0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( -9.655 13.352 -0.000) 16.477 1.351 ( -2.003 17.051 -0.000) 17.168 1.366 ( -9.641 13.241 -0.000) 16.379 1.494 ( -5.786 10.664 -0.000) 12.132 2.084 ( 0.190 -7.100 0.000) 7.103 2.160 ( 0.835 2.391 -0.000) 2.533 2.266 ( 3.851 -11.534 0.000) 12.160 2.282 ( 1.982 0.642 0.000) 2.084 2.351 ( 0.611 -5.491 0.000) 5.525 2.374 ( -1.213 1.391 -0.000) 1.846 2.417 ( -2.568 14.836 -0.000) 15.057 2.453 ( -0.362 -3.510 0.000) 3.529 2.539 ( 2.796 -9.824 0.000) 10.214 2.581 ( 8.191 3.305 0.000) 8.832 2.627 ( -3.132 1.033 -0.000) 3.298 2.643 ( 3.958 -2.656 0.000) 4.766 3.026 ( 2.850 -1.225 0.000) 3.102 3.080 ( -0.020 -0.977 0.000) 0.977 3.169 ( 0.880 -4.222 0.000) 4.313 3.243 ( -5.456 8.058 -0.000) 9.731 3.260 ( 3.022 -2.625 0.000) 4.003 3.293 ( 5.170 -8.906 0.000) 10.297 3.310 ( 6.686 -11.852 0.000) 13.608 3.374 ( -1.131 2.209 -0.000) 2.481 3.600 ( -1.207 1.212 -0.000) 1.711 3.699 ( 0.268 0.807 -0.000) 0.851 4.073 ( -7.273 -5.359 0.000) 9.034 4.122 ( -7.838 -5.402 0.000) 9.520 4.766 ( 10.914 -8.652 0.000) 13.927 4.814 ( 9.724 -10.337 0.000) 14.192 7.466 ( -2.881 1.402 -0.000) 3.204 7.475 ( -3.054 0.967 -0.000) 3.203 7.614 ( -0.840 5.037 -0.000) 5.106 7.654 ( 0.561 5.044 -0.000) 5.075 7.773 ( 0.763 -2.623 0.000) 2.732 7.810 ( 1.942 -2.598 0.000) 3.244 8.024 ( -1.381 1.244 -0.000) 1.858 8.051 ( -0.963 -0.004 -0.000) 0.963 8.811 ( -3.670 4.225 -0.000) 5.596 8.822 ( -3.176 2.955 -0.000) 4.339 8.858 ( -0.764 0.931 -0.000) 1.205 8.881 ( -0.548 0.818 -0.000) 0.984 8.974 ( -0.033 2.705 -0.000) 2.705 9.045 ( 0.254 0.282 -0.000) 0.379 9.060 ( -1.800 3.398 -0.000) 3.845 9.069 ( -1.260 5.783 -0.000) 5.919 9.165 ( 0.195 -0.034 0.000) 0.197 9.207 ( 0.065 -0.675 0.000) 0.678 9.208 ( 1.233 -2.412 0.000) 2.709 9.260 ( 1.009 -2.518 0.000) 2.712 10.176 ( -3.012 5.862 -0.000) 6.591 10.269 ( -2.658 4.715 -0.000) 5.413 10.473 ( 2.314 -4.088 0.000) 4.697 10.584 ( 2.157 -6.052 0.000) 6.425 ======================= Grid point 425 (149/171) ======================= q-point: ( 0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( 0.000 11.122 -0.000) 11.122 1.182 ( 0.000 8.080 -0.000) 8.080 1.345 ( 0.000 16.005 -0.000) 16.005 1.391 ( 0.000 18.167 -0.000) 18.167 2.088 ( -0.000 -6.661 0.000) 6.661 2.185 ( 0.000 1.427 -0.000) 1.427 2.284 ( 0.000 4.822 -0.000) 4.822 2.310 ( -0.000 -9.430 0.000) 9.430 2.334 ( 0.000 0.264 -0.000) 0.264 2.350 ( -0.000 -5.735 0.000) 5.735 2.416 ( 0.000 13.439 -0.000) 13.439 2.457 ( 0.000 15.411 -0.000) 15.411 2.571 ( -0.000 -17.554 0.000) 17.554 2.584 ( -0.000 -17.609 0.000) 17.609 2.820 ( 0.000 7.710 -0.000) 7.710 2.836 ( 0.000 11.188 -0.000) 11.188 3.001 ( 0.000 6.595 -0.000) 6.595 3.032 ( 0.000 4.490 -0.000) 4.490 3.126 ( 0.000 5.767 -0.000) 5.767 3.144 ( 0.000 6.725 -0.000) 6.725 3.320 ( -0.000 -1.748 0.000) 1.748 3.347 ( -0.000 -2.837 0.000) 2.837 3.460 ( -0.000 -11.953 0.000) 11.953 3.598 ( -0.000 -14.838 0.000) 14.838 3.623 ( -0.000 -14.663 0.000) 14.663 3.643 ( -0.000 -9.648 0.000) 9.648 3.805 ( -0.000 -11.047 0.000) 11.047 3.892 ( -0.000 -9.962 0.000) 9.962 4.991 ( -0.000 -4.423 0.000) 4.423 5.020 ( -0.000 -5.906 0.000) 5.906 7.395 ( 0.000 1.310 -0.000) 1.310 7.402 ( 0.000 0.955 -0.000) 0.955 7.613 ( 0.000 5.692 -0.000) 5.692 7.674 ( 0.000 5.296 -0.000) 5.296 7.800 ( -0.000 -1.973 0.000) 1.973 7.854 ( -0.000 -2.065 0.000) 2.065 7.985 ( 0.000 1.420 -0.000) 1.420 8.021 ( -0.000 -0.407 0.000) 0.407 8.728 ( 0.000 3.658 -0.000) 3.658 8.744 ( 0.000 2.655 -0.000) 2.655 8.845 ( 0.000 1.127 -0.000) 1.127 8.870 ( 0.000 0.098 -0.000) 0.098 8.973 ( 0.000 2.772 -0.000) 2.772 9.028 ( 0.000 7.347 -0.000) 7.347 9.051 ( 0.000 7.879 -0.000) 7.879 9.055 ( -0.000 -1.488 0.000) 1.488 9.168 ( 0.000 0.462 -0.000) 0.462 9.205 ( -0.000 -1.280 0.000) 1.280 9.230 ( -0.000 -1.774 0.000) 1.774 9.278 ( -0.000 -2.661 0.000) 2.661 10.123 ( 0.000 6.253 -0.000) 6.253 10.222 ( 0.000 4.129 -0.000) 4.129 10.513 ( -0.000 -3.877 0.000) 3.877 10.621 ( -0.000 -6.282 0.000) 6.282 ======================= Grid point 426 (150/171) ======================= q-point: ( 0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.196 ( -6.772 8.238 -0.729) 10.689 1.281 ( -7.489 0.924 1.409) 7.676 1.501 ( 0.329 17.272 -0.688) 17.289 1.578 ( -1.007 15.655 0.321) 15.691 2.013 ( 0.047 -7.755 0.607) 7.779 2.143 ( 0.785 -13.307 0.518) 13.341 2.232 ( 1.081 0.205 -0.598) 1.252 2.300 ( 0.630 -2.609 -0.493) 2.729 2.307 ( -0.123 -0.962 -0.518) 1.100 2.338 ( -0.629 -2.006 0.374) 2.136 2.441 ( 0.555 -4.549 -0.222) 4.588 2.461 ( -0.405 -6.155 0.558) 6.193 2.510 ( -0.527 4.867 -1.355) 5.079 2.551 ( -1.763 0.240 -0.279) 1.801 2.828 ( 10.365 14.152 0.106) 17.542 2.882 ( 11.272 17.337 0.069) 20.679 3.053 ( 0.999 -0.078 1.131) 1.511 3.074 ( 0.293 -0.657 1.557) 1.716 3.154 ( 4.120 -8.128 0.474) 9.125 3.231 ( -0.529 0.396 0.135) 0.675 3.290 ( 2.322 -0.384 -1.391) 2.734 3.304 ( 2.260 -3.142 0.674) 3.928 3.320 ( 5.797 -7.856 1.397) 9.862 3.370 ( -2.600 3.153 0.279) 4.096 3.545 ( -6.617 -2.972 0.064) 7.254 3.668 ( -5.563 -7.088 -0.032) 9.011 3.813 ( -9.776 -5.893 -0.738) 11.439 3.878 ( -8.279 -9.032 -0.662) 12.270 4.893 ( 8.201 -2.097 -0.307) 8.470 4.912 ( 7.760 -3.727 0.336) 8.615 7.427 ( -2.506 0.762 -0.051) 2.620 7.431 ( -2.552 0.410 0.097) 2.587 7.660 ( 0.288 4.733 0.142) 4.744 7.705 ( 0.543 2.150 -0.100) 2.220 7.774 ( 1.442 -0.644 0.058) 1.580 7.815 ( 1.649 -2.901 -0.156) 3.340 8.010 ( -1.374 1.142 -0.069) 1.788 8.028 ( -1.266 -0.566 0.013) 1.387 8.782 ( -2.951 2.177 0.075) 3.667 8.788 ( -2.837 1.354 0.044) 3.144 8.858 ( -0.375 0.920 0.160) 1.006 8.872 ( -0.465 -0.404 0.072) 0.620 8.998 ( -0.001 2.491 0.015) 2.491 9.038 ( 0.127 -1.714 -0.223) 1.733 9.092 ( -0.377 5.239 0.118) 5.253 9.113 ( -0.148 4.610 -0.096) 4.613 9.171 ( 0.340 0.492 -0.022) 0.598 9.193 ( 0.188 -1.819 0.060) 1.830 9.209 ( 0.518 -0.828 0.078) 0.980 9.245 ( 0.521 -3.208 -0.023) 3.250 10.195 ( -1.588 5.781 0.370) 6.006 10.259 ( -1.610 0.536 0.090) 1.699 10.482 ( 1.260 -0.123 0.098) 1.269 10.553 ( 1.100 -5.978 -0.257) 6.083 ======================= Grid point 427 (151/171) ======================= q-point: ( 0.60 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( -10.388 0.000 -5.520) 11.764 1.466 ( -11.400 -0.000 5.939) 12.854 1.609 ( -1.679 0.000 -4.443) 4.750 1.680 ( -3.391 -0.000 4.225) 5.417 1.981 ( 2.554 0.000 -1.590) 3.009 2.017 ( 1.316 -0.000 2.912) 3.195 2.226 ( 1.684 0.000 -1.823) 2.481 2.254 ( 1.439 -0.000 1.369) 1.986 2.310 ( -0.247 0.000 -1.485) 1.505 2.328 ( 0.377 -0.000 0.852) 0.932 2.431 ( -1.430 0.000 -1.600) 2.146 2.464 ( -0.663 -0.000 2.346) 2.438 2.518 ( -0.344 0.000 -5.282) 5.294 2.575 ( -0.922 -0.000 1.489) 1.751 2.737 ( 10.711 -0.000 -0.507) 10.723 2.745 ( 11.208 -0.000 0.463) 11.218 2.956 ( 6.015 -0.000 1.213) 6.136 2.963 ( 5.087 -0.000 1.777) 5.389 3.131 ( -0.122 0.000 -0.300) 0.324 3.141 ( 0.386 -0.000 0.945) 1.021 3.224 ( 2.747 0.000 -1.425) 3.095 3.272 ( 2.321 -0.000 4.318) 4.902 3.383 ( -0.976 0.000 -1.161) 1.517 3.398 ( -1.760 -0.000 0.693) 1.891 3.679 ( -2.866 0.000 -0.688) 2.948 3.684 ( -3.405 0.000 -0.055) 3.406 4.016 ( -15.760 0.000 -0.884) 15.784 4.019 ( -16.311 0.000 -0.530) 16.320 4.684 ( 14.965 -0.000 -1.494) 15.040 4.708 ( 14.582 -0.000 1.471) 14.656 7.481 ( -3.165 0.000 -0.134) 3.168 7.484 ( -2.948 0.000 0.190) 2.954 7.693 ( -0.171 0.000 -0.266) 0.316 7.700 ( -0.516 -0.000 0.560) 0.761 7.751 ( 2.116 0.000 -0.461) 2.165 7.756 ( 2.205 -0.000 0.142) 2.209 8.038 ( -1.152 0.000 -0.703) 1.350 8.048 ( -1.195 -0.000 0.534) 1.309 8.849 ( -2.997 0.000 0.085) 2.998 8.852 ( -3.208 0.000 0.330) 3.225 8.878 ( -1.565 0.000 -0.148) 1.572 8.881 ( -1.454 0.000 0.081) 1.457 9.017 ( 0.120 0.000 -0.225) 0.255 9.018 ( 0.211 0.000 -0.105) 0.236 9.134 ( -0.206 0.000 -0.026) 0.208 9.135 ( -0.495 0.000 -0.079) 0.501 9.157 ( 1.163 -0.000 0.021) 1.163 9.164 ( 1.438 -0.000 0.614) 1.564 9.209 ( 0.042 0.000 -0.492) 0.494 9.214 ( 0.377 -0.000 0.107) 0.392 10.274 ( -2.717 0.000 -0.404) 2.747 10.288 ( -3.101 -0.000 1.374) 3.392 10.471 ( 2.287 0.000 -0.684) 2.387 10.475 ( 2.367 -0.000 -0.052) 2.367 ======================= Grid point 437 (152/171) ======================= q-point: ( 0.50 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( 0.000 10.904 1.900) 11.068 1.184 ( 0.000 7.744 0.611) 7.768 1.344 ( 0.000 16.190 -0.314) 16.193 1.386 ( 0.000 18.523 -1.244) 18.565 2.092 ( -0.000 -6.475 1.145) 6.575 2.186 ( 0.000 2.013 0.261) 2.030 2.278 ( 0.000 3.814 -1.395) 4.061 2.311 ( -0.000 -8.757 0.240) 8.760 2.323 ( -0.000 -0.362 -2.413) 2.440 2.354 ( -0.000 -3.387 0.580) 3.436 2.420 ( 0.000 12.169 1.033) 12.213 2.458 ( 0.000 12.390 0.262) 12.393 2.572 ( -0.000 -17.193 0.181) 17.194 2.584 ( -0.000 -17.194 -0.113) 17.195 2.812 ( 0.000 8.422 -1.720) 8.596 2.828 ( 0.000 12.302 -1.876) 12.444 3.013 ( 0.000 7.281 2.539) 7.711 3.043 ( 0.000 5.239 2.398) 5.762 3.131 ( 0.000 4.811 1.292) 4.981 3.145 ( 0.000 6.023 0.377) 6.035 3.325 ( -0.000 -1.900 1.159) 2.225 3.355 ( 0.000 -2.658 1.981) 3.315 3.459 ( -0.000 -11.806 -0.079) 11.806 3.597 ( -0.000 -14.686 -0.084) 14.687 3.623 ( -0.000 -14.688 -0.079) 14.688 3.646 ( -0.000 -9.192 0.621) 9.213 3.798 ( -0.000 -11.548 -1.588) 11.656 3.886 ( -0.000 -10.145 -1.391) 10.240 4.992 ( -0.000 -4.458 0.218) 4.463 5.020 ( -0.000 -5.870 -0.134) 5.872 7.396 ( 0.000 1.303 0.089) 1.306 7.402 ( 0.000 0.966 0.005) 0.966 7.615 ( 0.000 5.688 0.342) 5.698 7.673 ( 0.000 5.316 -0.408) 5.331 7.801 ( -0.000 -1.995 0.306) 2.019 7.853 ( -0.000 -2.078 -0.364) 2.110 7.986 ( 0.000 1.383 0.177) 1.394 8.020 ( -0.000 -0.356 -0.270) 0.447 8.729 ( 0.000 3.637 0.194) 3.642 8.744 ( 0.000 2.684 0.022) 2.684 8.847 ( 0.000 1.070 0.504) 1.182 8.870 ( 0.000 0.115 0.113) 0.162 8.974 ( 0.000 2.748 0.175) 2.754 9.029 ( 0.000 7.322 0.290) 7.328 9.049 ( 0.000 5.606 -0.564) 5.634 9.054 ( 0.000 0.884 -0.313) 0.937 9.169 ( 0.000 0.447 0.081) 0.455 9.204 ( -0.000 -1.241 -0.415) 1.309 9.233 ( -0.000 -1.819 0.577) 1.908 9.278 ( -0.000 -2.644 -0.076) 2.645 10.126 ( 0.000 6.251 0.868) 6.311 10.221 ( 0.000 4.258 -0.288) 4.268 10.515 ( -0.000 -3.983 0.637) 4.033 10.618 ( -0.000 -6.242 -0.623) 6.273 ======================= Grid point 438 (153/171) ======================= q-point: ( 0.60 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( -5.267 6.500 -1.242) 8.458 1.300 ( -8.748 2.197 3.046) 9.520 1.492 ( 1.233 17.483 -1.559) 17.596 1.582 ( -1.905 15.963 0.586) 16.087 2.023 ( 0.249 -8.000 1.702) 8.183 2.151 ( 0.689 -14.142 1.252) 14.214 2.224 ( 1.320 1.283 -1.326) 2.268 2.294 ( 0.335 -1.382 -1.153) 1.831 2.300 ( -0.250 -1.869 -1.108) 2.187 2.342 ( -0.849 -2.062 0.527) 2.291 2.438 ( 0.640 -6.552 -0.550) 6.606 2.464 ( 0.433 -0.980 -0.472) 1.171 2.496 ( -0.737 -0.144 -1.272) 1.477 2.546 ( -2.229 0.775 -0.889) 2.522 2.830 ( 10.428 14.985 0.245) 18.257 2.883 ( 11.188 17.495 0.085) 20.767 3.070 ( 1.636 -0.359 3.088) 3.513 3.094 ( 0.532 0.240 3.040) 3.095 3.162 ( 3.965 -8.185 1.601) 9.235 3.233 ( -0.534 -0.089 0.276) 0.608 3.280 ( 4.182 -2.867 -1.028) 5.174 3.306 ( 1.903 -3.298 0.048) 3.808 3.339 ( 3.504 -4.130 2.951) 6.168 3.375 ( -1.675 2.024 1.171) 2.876 3.546 ( -6.289 -2.499 0.245) 6.772 3.667 ( -4.711 -6.089 -0.214) 7.702 3.802 ( -10.701 -6.832 -1.971) 12.848 3.867 ( -8.609 -9.354 -1.932) 12.858 4.890 ( 8.545 -2.438 -0.550) 8.903 4.916 ( 7.443 -3.388 0.627) 8.201 7.427 ( -2.446 0.682 -0.073) 2.540 7.432 ( -2.599 0.495 0.194) 2.653 7.663 ( 0.322 4.692 0.408) 4.720 7.704 ( 0.530 2.456 -0.310) 2.531 7.775 ( 1.430 -0.965 0.195) 1.736 7.813 ( 1.600 -2.855 -0.444) 3.303 8.009 ( -1.236 0.907 -0.170) 1.542 8.028 ( -1.376 -0.328 0.025) 1.415 8.783 ( -2.942 2.157 0.205) 3.654 8.789 ( -2.841 1.408 0.105) 3.172 8.860 ( -0.319 0.796 0.433) 0.960 8.873 ( -0.419 -0.334 0.187) 0.568 8.999 ( -0.000 2.325 0.078) 2.326 9.035 ( 0.132 -1.474 -0.617) 1.603 9.094 ( -0.347 5.212 0.291) 5.232 9.111 ( -0.162 4.589 -0.244) 4.598 9.171 ( 0.374 0.423 -0.023) 0.565 9.193 ( -0.149 -1.317 -0.014) 1.326 9.211 ( 0.768 -1.332 0.383) 1.585 9.245 ( 0.563 -3.128 -0.108) 3.180 10.200 ( -1.491 5.664 1.022) 5.945 10.260 ( -1.629 1.015 0.179) 1.928 10.484 ( 1.292 -0.580 0.329) 1.454 10.549 ( 1.112 -5.832 -0.745) 5.984 ======================= Grid point 439 (154/171) ======================= q-point: ( 0.70 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( -9.713 0.000 -4.574) 10.736 1.510 ( -11.568 -0.000 5.163) 12.668 1.575 ( -0.998 0.000 -3.811) 3.940 1.711 ( -4.257 -0.000 3.733) 5.662 1.970 ( 3.136 0.000 -1.259) 3.379 2.041 ( 1.001 -0.000 3.236) 3.387 2.213 ( 1.490 0.000 -1.301) 1.978 2.263 ( 1.135 -0.000 0.922) 1.463 2.297 ( -0.215 0.000 -1.834) 1.846 2.334 ( 0.607 -0.000 0.668) 0.902 2.421 ( -1.557 0.000 -1.141) 1.930 2.474 ( -0.361 0.000 -5.684) 5.696 2.483 ( -0.084 -0.000 2.210) 2.211 2.580 ( -1.742 0.000 -0.227) 1.756 2.733 ( 10.770 -0.000 -0.413) 10.778 2.749 ( 11.528 -0.000 0.449) 11.537 2.970 ( 6.974 -0.000 2.048) 7.269 2.979 ( 5.084 -0.000 1.873) 5.418 3.130 ( 0.405 -0.000 0.166) 0.438 3.149 ( 1.041 -0.000 1.026) 1.462 3.220 ( 2.257 -0.000 0.539) 2.320 3.309 ( 1.999 -0.000 5.019) 5.403 3.373 ( -0.217 0.000 -1.577) 1.591 3.403 ( -1.817 -0.000 0.505) 1.886 3.673 ( -2.469 0.000 -1.013) 2.669 3.683 ( -3.358 0.000 -0.349) 3.376 4.007 ( -15.977 0.000 -1.441) 16.042 4.013 ( -16.955 0.000 -0.914) 16.979 4.673 ( 15.175 -0.000 -1.282) 15.229 4.719 ( 14.438 -0.000 1.243) 14.491 7.480 ( -3.252 0.000 -0.091) 3.254 7.485 ( -2.841 0.000 0.182) 2.847 7.692 ( 0.019 0.000 -0.111) 0.113 7.705 ( -0.637 -0.000 0.622) 0.890 7.747 ( 2.016 0.000 -0.543) 2.088 7.756 ( 2.182 -0.000 -0.009) 2.182 8.032 ( -1.113 0.000 -0.657) 1.292 8.051 ( -1.194 -0.000 0.385) 1.254 8.851 ( -3.037 0.000 0.283) 3.050 8.855 ( -3.454 0.000 0.399) 3.477 8.878 ( -1.342 0.000 -0.084) 1.345 8.881 ( -1.136 0.000 -0.032) 1.136 9.015 ( 0.055 0.000 -0.316) 0.321 9.017 ( 0.202 0.000 -0.194) 0.280 9.133 ( -0.462 0.000 -0.342) 0.575 9.134 ( -0.125 -0.000 0.089) 0.154 9.160 ( 0.915 -0.000 0.595) 1.092 9.169 ( 1.678 -0.000 0.490) 1.748 9.205 ( -0.147 0.000 -0.466) 0.489 9.214 ( 0.536 0.000 -0.157) 0.558 10.272 ( -2.460 0.000 -0.037) 2.460 10.301 ( -3.248 -0.000 1.705) 3.668 10.464 ( 2.369 0.000 -1.025) 2.581 10.474 ( 2.464 -0.000 -0.266) 2.478 ======================= Grid point 449 (155/171) ======================= q-point: ( 0.60 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( 0.000 10.235 3.451) 10.801 1.190 ( 0.000 6.763 0.826) 6.814 1.340 ( 0.000 16.770 -0.578) 16.780 1.372 ( 0.000 19.560 -2.182) 19.681 2.106 ( -0.000 -5.930 2.162) 6.312 2.189 ( 0.000 3.368 0.601) 3.421 2.263 ( 0.000 2.376 -2.393) 3.372 2.300 ( 0.000 1.375 -3.117) 3.407 2.314 ( 0.000 -8.268 0.533) 8.286 2.357 ( -0.000 -1.846 -0.030) 1.846 2.431 ( 0.000 8.923 1.564) 9.059 2.460 ( 0.000 5.747 0.386) 5.760 2.573 ( -0.000 -16.103 0.188) 16.104 2.582 ( -0.000 -15.791 -0.299) 15.794 2.797 ( -0.000 10.238 -1.915) 10.416 2.811 ( -0.000 14.498 -2.095) 14.649 3.035 ( -0.000 9.144 2.651) 9.521 3.063 ( 0.000 7.505 2.377) 7.872 3.145 ( -0.000 2.568 2.145) 3.346 3.151 ( -0.000 3.914 1.024) 4.046 3.339 ( 0.000 -2.372 2.356) 3.343 3.379 ( 0.000 -2.156 4.055) 4.593 3.459 ( 0.000 -11.341 -0.018) 11.341 3.596 ( 0.000 -14.172 -0.229) 14.174 3.622 ( 0.000 -14.746 -0.108) 14.746 3.652 ( -0.000 -7.542 0.938) 7.600 3.780 ( 0.000 -13.356 -2.701) 13.626 3.870 ( 0.000 -10.729 -2.691) 11.061 4.994 ( -0.000 -4.561 0.405) 4.579 5.018 ( 0.000 -5.764 -0.268) 5.770 7.397 ( -0.000 1.283 0.157) 1.293 7.402 ( 0.000 0.996 -0.003) 0.996 7.619 ( 0.000 5.674 0.656) 5.711 7.668 ( 0.000 5.368 -0.765) 5.423 7.805 ( -0.000 -2.051 0.586) 2.133 7.848 ( 0.000 -2.113 -0.676) 2.219 7.988 ( -0.000 1.272 0.346) 1.318 8.017 ( -0.000 -0.209 -0.498) 0.540 8.731 ( 0.000 3.575 0.347) 3.592 8.745 ( 0.000 2.766 -0.001) 2.766 8.852 ( 0.000 0.915 0.851) 1.250 8.871 ( 0.000 0.164 0.170) 0.237 8.976 ( 0.000 2.661 0.432) 2.696 9.032 ( -0.000 7.249 0.480) 7.265 9.041 ( -0.000 1.991 -1.322) 2.390 9.051 ( -0.000 4.788 -0.258) 4.795 9.170 ( -0.000 0.385 0.217) 0.442 9.199 ( -0.000 -1.120 -0.704) 1.323 9.239 ( -0.000 -1.932 0.955) 2.155 9.277 ( -0.000 -2.596 -0.216) 2.605 10.136 ( -0.000 6.236 1.588) 6.435 10.217 ( -0.000 4.602 -0.662) 4.649 10.523 ( -0.000 -4.266 1.241) 4.443 10.611 ( 0.000 -6.126 -1.205) 6.243 ======================= Grid point 450 (156/171) ======================= q-point: ( 0.70 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( -3.619 4.840 -0.945) 6.117 1.326 ( -10.000 3.025 3.225) 10.934 1.478 ( 2.275 17.873 -1.641) 18.092 1.586 ( -2.957 16.528 0.404) 16.795 2.040 ( 0.689 -8.655 2.446) 9.021 2.160 ( 0.510 -15.306 0.664) 15.329 2.215 ( 1.431 2.932 -0.476) 3.297 2.283 ( 0.220 -0.343 -1.521) 1.575 2.291 ( -0.406 -1.872 -0.972) 2.148 2.345 ( -1.482 -2.657 0.178) 3.048 2.424 ( 0.906 -4.266 -3.320) 5.481 2.457 ( 1.801 -0.919 -0.245) 2.037 2.496 ( -1.704 -3.339 0.745) 3.821 2.539 ( -2.365 -0.129 -0.963) 2.557 2.832 ( 10.668 16.338 0.372) 19.516 2.883 ( 10.964 17.306 -0.088) 20.487 3.098 ( 2.504 -0.732 3.419) 4.300 3.116 ( 1.074 1.038 2.276) 2.722 3.180 ( 3.385 -7.363 2.718) 8.548 3.235 ( -0.389 -0.567 0.046) 0.689 3.275 ( 5.413 -5.393 -0.188) 7.643 3.305 ( 0.803 -1.192 -0.168) 1.447 3.364 ( 1.801 -1.934 3.146) 4.108 3.391 ( 0.230 -0.586 2.702) 2.775 3.549 ( -5.585 -1.327 0.692) 5.782 3.663 ( -2.877 -3.713 -0.897) 4.782 3.784 ( -12.672 -9.021 -2.286) 15.722 3.848 ( -9.348 -10.058 -2.980) 14.051 4.885 ( 8.899 -2.680 -0.488) 9.306 4.921 ( 7.132 -3.149 0.584) 7.818 7.426 ( -2.384 0.627 -0.045) 2.465 7.434 ( -2.639 0.558 0.196) 2.705 7.667 ( 0.394 4.605 0.623) 4.663 7.700 ( 0.489 2.948 -0.522) 3.033 7.777 ( 1.425 -1.488 0.367) 2.093 7.809 ( 1.511 -2.757 -0.654) 3.211 8.008 ( -1.044 0.590 -0.195) 1.215 8.028 ( -1.525 -0.004 0.016) 1.525 8.785 ( -2.927 2.110 0.275) 3.619 8.790 ( -2.846 1.505 0.099) 3.221 8.864 ( -0.232 0.585 0.569) 0.848 8.875 ( -0.340 -0.211 0.222) 0.457 9.000 ( 0.006 2.001 0.221) 2.013 9.029 ( 0.131 -1.014 -0.877) 1.347 9.096 ( -0.282 5.132 0.313) 5.149 9.109 ( -0.221 4.536 -0.266) 4.549 9.171 ( 0.438 0.414 -0.023) 0.603 9.192 ( -0.472 -0.737 -0.148) 0.888 9.216 ( 0.963 -1.975 0.713) 2.310 9.243 ( 0.631 -2.998 -0.263) 3.075 10.210 ( -1.301 5.397 1.421) 5.730 10.261 ( -1.694 1.907 0.057) 2.552 10.488 ( 1.354 -1.433 0.634) 2.071 10.541 ( 1.122 -5.524 -1.141) 5.751 ======================= Grid point 451 (157/171) ======================= q-point: ( 0.80 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( -9.081 0.000 -3.274) 9.653 1.546 ( -11.454 -0.000 3.711) 12.040 1.549 ( -0.508 0.000 -2.752) 2.798 1.739 ( -5.145 -0.000 3.174) 6.045 1.960 ( 3.572 0.000 -1.268) 3.790 2.066 ( 0.971 -0.000 2.924) 3.081 2.206 ( 1.162 0.000 -0.525) 1.275 2.270 ( 0.860 -0.000 1.140) 1.428 2.282 ( 0.066 0.000 -1.831) 1.833 2.337 ( 0.707 0.000 -0.194) 0.733 2.411 ( -2.395 0.000 -1.475) 2.812 2.433 ( 0.359 0.000 -4.002) 4.019 2.499 ( 0.623 -0.000 1.756) 1.864 2.574 ( -2.663 0.000 -0.934) 2.822 2.731 ( 10.899 -0.000 -0.236) 10.901 2.752 ( 11.772 -0.000 0.371) 11.778 2.985 ( 7.689 -0.000 1.519) 7.838 2.992 ( 5.083 -0.000 1.333) 5.255 3.133 ( 1.346 -0.000 0.364) 1.395 3.157 ( 1.656 -0.000 0.871) 1.871 3.233 ( 1.392 -0.000 2.572) 2.925 3.349 ( 1.766 -0.000 4.725) 5.044 3.358 ( 0.849 0.000 -2.161) 2.321 3.406 ( -1.554 0.000 0.266) 1.577 3.664 ( -2.178 0.000 -1.096) 2.438 3.679 ( -3.112 0.000 -0.517) 3.154 3.995 ( -16.474 0.000 -1.534) 16.545 4.005 ( -17.652 0.000 -0.912) 17.675 4.664 ( 15.364 -0.000 -0.939) 15.392 4.728 ( 14.332 -0.000 0.899) 14.360 7.479 ( -3.316 0.000 -0.053) 3.316 7.486 ( -2.752 0.000 0.145) 2.756 7.692 ( 0.189 -0.000 -0.007) 0.189 7.710 ( -0.730 -0.000 0.585) 0.935 7.742 ( 1.923 0.000 -0.529) 1.995 7.756 ( 2.132 -0.000 -0.092) 2.134 8.027 ( -1.071 0.000 -0.510) 1.186 8.054 ( -1.184 -0.000 0.238) 1.208 8.854 ( -3.214 0.000 0.375) 3.236 8.857 ( -3.764 0.000 0.323) 3.778 8.877 ( -1.000 0.000 0.010) 1.000 8.880 ( -0.672 0.000 -0.136) 0.686 9.013 ( 0.003 0.000 -0.294) 0.294 9.016 ( 0.161 0.000 -0.188) 0.248 9.130 ( -0.419 0.000 -0.360) 0.553 9.135 ( -0.140 -0.000 0.123) 0.186 9.166 ( 0.701 -0.000 0.800) 1.063 9.172 ( 1.995 -0.000 0.251) 2.011 9.202 ( -0.339 0.000 -0.291) 0.447 9.212 ( 0.686 0.000 -0.345) 0.768 10.273 ( -2.207 0.000 0.144) 2.212 10.314 ( -3.432 -0.000 1.694) 3.827 10.455 ( 2.565 0.000 -1.146) 2.809 10.472 ( 2.557 -0.000 -0.316) 2.577 ======================= Grid point 461 (158/171) ======================= q-point: ( 0.70 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( 0.000 9.066 4.365) 10.062 1.195 ( 0.000 5.368 0.245) 5.374 1.335 ( 0.000 17.818 -0.702) 17.832 1.353 ( 0.000 21.038 -2.418) 21.176 2.126 ( -0.000 -5.065 2.946) 5.860 2.196 ( 0.000 4.448 0.934) 4.545 2.241 ( -0.000 1.376 -2.930) 3.237 2.275 ( 0.000 3.716 -3.216) 4.914 2.320 ( 0.000 -8.087 0.923) 8.140 2.354 ( -0.000 -2.065 -0.592) 2.148 2.444 ( 0.000 4.592 1.548) 4.846 2.463 ( 0.000 -0.468 0.293) 0.552 2.574 ( -0.000 -14.294 0.044) 14.294 2.579 ( -0.000 -13.451 -0.424) 13.457 2.784 ( -0.000 12.446 -1.148) 12.499 2.797 ( -0.000 16.101 -1.585) 16.179 3.053 ( -0.000 10.890 1.867) 11.049 3.077 ( 0.000 10.124 0.882) 10.163 3.161 ( -0.000 1.495 1.440) 2.075 3.162 ( -0.000 0.681 1.862) 1.983 3.361 ( 0.000 -3.186 3.242) 4.546 3.414 ( 0.000 -2.396 3.848) 4.533 3.463 ( 0.000 -9.580 1.925) 9.771 3.593 ( 0.000 -12.909 -0.647) 12.925 3.621 ( 0.000 -14.749 -0.019) 14.749 3.657 ( -0.000 -4.562 -0.076) 4.563 3.760 ( 0.000 -16.912 -2.002) 17.030 3.844 ( 0.000 -11.811 -3.738) 12.388 4.998 ( -0.000 -4.723 0.536) 4.753 5.015 ( 0.000 -5.599 -0.397) 5.613 7.398 ( -0.000 1.251 0.189) 1.265 7.402 ( 0.000 1.041 -0.034) 1.042 7.625 ( 0.000 5.650 0.917) 5.723 7.661 ( 0.000 5.437 -1.028) 5.533 7.811 ( -0.000 -2.117 0.817) 2.269 7.842 ( 0.000 -2.156 -0.903) 2.337 7.991 ( -0.000 1.093 0.498) 1.201 8.012 ( -0.000 0.014 -0.653) 0.654 8.734 ( 0.000 3.477 0.427) 3.503 8.744 ( 0.000 2.890 -0.086) 2.891 8.860 ( 0.000 0.717 0.934) 1.178 8.873 ( 0.000 0.233 0.117) 0.260 8.981 ( 0.000 2.478 0.802) 2.605 9.029 ( -0.000 1.286 -1.731) 2.156 9.036 ( -0.000 7.126 0.535) 7.146 9.049 ( -0.000 5.959 -0.276) 5.965 9.172 ( -0.000 0.241 0.379) 0.449 9.193 ( -0.000 -0.912 -0.818) 1.225 9.247 ( -0.000 -2.072 1.096) 2.344 9.274 ( -0.000 -2.525 -0.427) 2.561 10.151 ( -0.000 6.183 2.044) 6.512 10.210 ( -0.000 5.051 -1.135) 5.177 10.535 ( -0.000 -4.646 1.752) 4.966 10.599 ( 0.000 -5.942 -1.700) 6.180 ======================= Grid point 462 (159/171) ======================= q-point: ( 0.80 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( -2.337 3.632 -0.515) 4.350 1.349 ( -10.887 3.275 2.409) 11.621 1.467 ( 3.045 18.308 -1.180) 18.597 1.588 ( -3.764 17.222 0.144) 17.629 2.060 ( 1.451 -10.003 2.565) 10.428 2.157 ( 0.147 -12.422 -1.263) 12.487 2.221 ( 1.294 0.924 1.786) 2.392 2.270 ( 0.413 0.306 -1.548) 1.631 2.286 ( -0.681 -1.086 -0.455) 1.360 2.344 ( -2.620 -3.256 -0.572) 4.219 2.395 ( 2.191 -2.666 -3.407) 4.849 2.459 ( 2.035 -3.381 0.438) 3.970 2.501 ( -2.756 -2.438 0.444) 3.706 2.533 ( -1.789 -1.805 -0.427) 2.577 2.835 ( 11.052 17.668 0.403) 20.844 2.882 ( 10.637 16.802 -0.211) 19.887 3.121 ( 3.285 -1.380 2.252) 4.215 3.129 ( 1.606 1.083 1.155) 2.255 3.202 ( 2.448 -5.241 2.583) 6.335 3.233 ( 0.033 -0.698 -0.401) 0.805 3.276 ( 6.539 -8.943 0.420) 11.086 3.303 ( -1.127 2.468 -0.364) 2.737 3.389 ( 1.920 -1.980 3.265) 4.274 3.414 ( 1.333 -2.753 2.610) 4.021 3.559 ( -4.352 0.792 1.842) 4.792 3.650 ( -0.971 -0.327 -2.498) 2.700 3.770 ( -14.748 -12.009 -0.876) 19.040 3.821 ( -10.597 -11.187 -3.482) 15.797 4.882 ( 9.165 -2.820 -0.319) 9.594 4.925 ( 6.909 -3.012 0.398) 7.548 7.426 ( -2.335 0.597 -0.019) 2.410 7.435 ( -2.666 0.596 0.141) 2.735 7.672 ( 0.516 4.464 0.734) 4.553 7.696 ( 0.392 3.462 -0.668) 3.548 7.781 ( 1.461 -2.060 0.507) 2.576 7.803 ( 1.388 -2.579 -0.725) 3.017 8.007 ( -0.877 0.326 -0.148) 0.948 8.028 ( -1.648 0.267 0.003) 1.670 8.787 ( -2.908 2.029 0.272) 3.556 8.790 ( -2.855 1.632 0.025) 3.289 8.869 ( -0.151 0.341 0.507) 0.630 8.876 ( -0.252 -0.052 0.154) 0.300 9.002 ( 0.027 1.525 0.436) 1.587 9.021 ( 0.111 -0.387 -0.963) 1.043 9.098 ( -0.170 4.973 0.183) 4.979 9.108 ( -0.348 4.502 -0.151) 4.518 9.171 ( 0.513 0.466 -0.051) 0.695 9.191 ( -0.640 -0.359 -0.111) 0.742 9.222 ( 1.014 -2.480 0.818) 2.802 9.240 ( 0.697 -2.818 -0.443) 2.937 10.222 ( -1.015 4.923 1.401) 5.218 10.261 ( -1.855 3.055 -0.215) 3.580 10.494 ( 1.450 -2.538 0.941) 3.071 10.531 ( 1.099 -5.012 -1.344) 5.304 ======================= Grid point 463 (160/171) ======================= q-point: ( 0.90 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( -8.630 0.000 -1.711) 8.798 1.532 ( -0.218 0.000 -1.431) 1.448 1.569 ( -11.182 0.000 1.883) 11.339 1.761 ( -6.040 -0.000 2.071) 6.386 1.950 ( 3.963 0.000 -1.025) 4.093 2.086 ( 1.118 -0.000 1.780) 2.102 2.204 ( 0.807 -0.000 0.014) 0.807 2.269 ( 0.447 0.000 -1.236) 1.314 2.283 ( 0.548 -0.000 2.083) 2.154 2.327 ( 1.072 0.000 -2.219) 2.464 2.395 ( -4.093 0.000 -1.807) 4.474 2.417 ( 1.715 0.000 -0.710) 1.856 2.510 ( 1.420 -0.000 1.034) 1.756 2.567 ( -3.536 0.000 -0.768) 3.619 2.730 ( 10.973 -0.000 -0.092) 10.973 2.754 ( 11.923 -0.000 0.212) 11.925 2.993 ( 7.966 -0.000 0.649) 7.993 2.999 ( 5.051 -0.000 0.653) 5.093 3.135 ( 2.089 -0.000 0.218) 2.100 3.163 ( 2.064 -0.000 0.496) 2.122 3.258 ( 0.347 -0.000 3.360) 3.377 3.339 ( 2.328 0.000 -2.543) 3.448 3.381 ( 1.067 -0.000 3.198) 3.372 3.406 ( -0.595 0.000 -0.139) 0.611 3.656 ( -2.064 0.000 -0.743) 2.194 3.675 ( -2.817 0.000 -0.418) 2.848 3.984 ( -17.021 0.000 -1.004) 17.051 3.999 ( -18.193 0.000 -0.558) 18.202 4.658 ( 15.497 -0.000 -0.497) 15.505 4.733 ( 14.269 -0.000 0.471) 14.276 7.479 ( -3.353 0.000 -0.023) 3.353 7.487 ( -2.694 0.000 0.080) 2.695 7.692 ( 0.307 -0.000 0.024) 0.308 7.714 ( -0.823 -0.000 0.394) 0.913 7.739 ( 1.893 -0.000 -0.365) 1.928 7.755 ( 2.083 -0.000 -0.081) 2.085 8.024 ( -1.040 0.000 -0.278) 1.076 8.055 ( -1.174 0.000 0.111) 1.179 8.856 ( -3.520 0.000 0.288) 3.531 8.859 ( -4.011 0.000 0.163) 4.014 8.878 ( -0.708 0.000 0.050) 0.710 8.879 ( -0.150 0.000 -0.145) 0.208 9.011 ( -0.030 0.000 -0.174) 0.177 9.014 ( 0.117 0.000 -0.111) 0.162 9.127 ( -0.415 0.000 -0.211) 0.466 9.136 ( -0.206 -0.000 0.079) 0.221 9.172 ( 0.567 -0.000 0.592) 0.819 9.173 ( 2.265 -0.000 0.065) 2.266 9.201 ( -0.471 0.000 -0.105) 0.483 9.209 ( 0.814 0.000 -0.324) 0.877 10.274 ( -2.021 0.000 0.133) 2.025 10.326 ( -3.671 -0.000 1.130) 3.841 10.447 ( 2.840 0.000 -0.824) 2.957 10.469 ( 2.623 -0.000 -0.208) 2.632 ======================= Grid point 465 (161/171) ======================= q-point: ( 1.00 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( -8.467 0.000 -0.000) 8.467 1.527 ( -0.122 0.000 -0.000) 0.122 1.576 ( -11.039 0.000 -0.000) 11.039 1.769 ( -6.488 0.000 -0.000) 6.488 1.946 ( 4.181 -0.000 0.000) 4.181 2.093 ( 1.213 -0.000 0.000) 1.213 2.204 ( 0.628 -0.000 0.000) 0.628 2.264 ( 0.646 -0.000 0.000) 0.646 2.300 ( -0.931 0.000 -0.000) 0.931 2.308 ( 2.532 -0.000 0.000) 2.532 2.388 ( -4.398 0.000 -0.000) 4.398 2.414 ( 1.908 -0.000 0.000) 1.908 2.514 ( 1.867 -0.000 0.000) 1.867 2.564 ( -3.991 0.000 -0.000) 3.991 2.729 ( 10.992 -0.000 0.000) 10.992 2.755 ( 11.974 -0.000 0.000) 11.974 2.996 ( 8.018 -0.000 0.000) 8.018 3.002 ( 5.033 -0.000 0.000) 5.033 3.136 ( 2.330 -0.000 0.000) 2.330 3.165 ( 2.203 -0.000 0.000) 2.203 3.276 ( -0.950 0.000 -0.000) 0.950 3.325 ( 3.892 -0.000 0.000) 3.892 3.396 ( -1.103 0.000 -0.000) 1.103 3.404 ( 1.722 -0.000 0.000) 1.722 3.653 ( -2.052 0.000 -0.000) 2.052 3.673 ( -2.686 0.000 -0.000) 2.686 3.980 ( -17.267 0.000 -0.000) 17.267 3.997 ( -18.397 0.000 -0.000) 18.397 4.656 ( 15.545 -0.000 0.000) 15.545 4.735 ( 14.247 -0.000 0.000) 14.247 7.479 ( -3.366 0.000 -0.000) 3.366 7.488 ( -2.674 0.000 -0.000) 2.674 7.692 ( 0.351 -0.000 0.000) 0.351 7.716 ( -0.885 0.000 -0.000) 0.885 7.737 ( 1.912 -0.000 0.000) 1.912 7.755 ( 2.063 -0.000 0.000) 2.063 8.023 ( -1.028 0.000 -0.000) 1.028 8.056 ( -1.170 0.000 -0.000) 1.170 8.858 ( -3.713 0.000 -0.000) 3.713 8.860 ( -4.096 0.000 -0.000) 4.096 8.878 ( -0.603 0.000 -0.000) 0.603 8.878 ( 0.125 -0.000 0.000) 0.125 9.010 ( -0.041 0.000 -0.000) 0.041 9.014 ( 0.099 -0.000 0.000) 0.099 9.127 ( -0.419 0.000 -0.000) 0.419 9.136 ( -0.244 0.000 -0.000) 0.244 9.173 ( 2.367 -0.000 0.000) 2.367 9.174 ( 0.512 -0.000 0.000) 0.512 9.200 ( -0.512 0.000 -0.000) 0.512 9.208 ( 0.875 -0.000 0.000) 0.875 10.275 ( -1.952 0.000 -0.000) 1.952 10.331 ( -3.807 0.000 -0.000) 3.807 10.443 ( 2.994 -0.000 0.000) 2.994 10.469 ( 2.647 -0.000 0.000) 2.647 ======================= Grid point 476 (162/171) ======================= q-point: ( 0.80 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( 0.000 7.361 4.395) 8.574 1.191 ( 0.000 4.514 -1.371) 4.718 1.330 ( -0.000 19.390 -0.504) 19.396 1.336 ( 0.000 21.993 -1.614) 22.052 2.152 ( -0.000 -3.935 3.419) 5.213 2.200 ( 0.000 1.568 -0.807) 1.764 2.222 ( -0.000 3.719 -0.987) 3.848 2.250 ( 0.000 5.535 -2.883) 6.241 2.329 ( 0.000 -7.338 1.203) 7.436 2.348 ( -0.000 -3.678 -1.014) 3.815 2.455 ( 0.000 0.045 1.164) 1.165 2.464 ( 0.000 -3.762 -0.052) 3.763 2.574 ( -0.000 -12.136 -0.035) 12.136 2.576 ( 0.000 -11.257 -0.335) 11.262 2.779 ( -0.000 14.399 -0.232) 14.401 2.786 ( -0.000 16.469 -1.027) 16.501 3.065 ( -0.000 11.764 1.302) 11.836 3.079 ( 0.000 11.528 -0.269) 11.531 3.171 ( -0.000 0.201 1.005) 1.025 3.173 ( -0.000 -0.145 0.883) 0.895 3.388 ( 0.000 -4.307 3.279) 5.413 3.425 ( 0.000 -5.609 -0.729) 5.657 3.500 ( 0.000 -4.645 6.552) 8.031 3.583 ( -0.000 -9.454 -2.234) 9.715 3.622 ( 0.000 -14.345 0.353) 14.349 3.647 ( -0.000 -5.494 -2.444) 6.013 3.757 ( -0.000 -18.427 1.456) 18.484 3.812 ( 0.000 -13.531 -4.246) 14.182 5.003 ( -0.000 -4.929 0.594) 4.965 5.012 ( 0.000 -5.390 -0.508) 5.414 7.400 ( -0.000 1.206 0.180) 1.219 7.402 ( 0.000 1.096 -0.083) 1.099 7.633 ( 0.000 5.614 1.103) 5.721 7.652 ( -0.000 5.505 -1.173) 5.629 7.818 ( -0.000 -2.169 0.977) 2.379 7.834 ( 0.000 -2.187 -1.028) 2.417 7.996 ( -0.000 0.856 0.624) 1.059 8.007 ( -0.000 0.288 -0.721) 0.777 8.738 ( 0.000 3.348 0.421) 3.374 8.743 ( 0.000 3.040 -0.214) 3.047 8.866 ( 0.000 0.536 0.747) 0.919 8.873 ( 0.000 0.311 -0.083) 0.322 8.989 ( 0.000 2.180 1.240) 2.508 9.014 ( -0.000 1.430 -1.818) 2.313 9.040 ( 0.000 6.948 0.487) 6.965 9.047 ( -0.000 6.416 -0.323) 6.424 9.176 ( -0.000 0.004 0.532) 0.532 9.186 ( -0.000 -0.628 -0.786) 1.006 9.256 ( -0.000 -2.209 1.056) 2.449 9.270 ( 0.000 -2.436 -0.671) 2.527 10.168 ( -0.000 6.059 2.183) 6.440 10.199 ( -0.000 5.487 -1.630) 5.724 10.550 ( -0.000 -5.041 2.088) 5.456 10.584 ( 0.000 -5.698 -2.047) 6.055 ======================= Grid point 477 (163/171) ======================= q-point: ( 0.90 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( -1.637 2.983 -0.157) 3.406 1.362 ( -11.340 3.249 0.893) 11.830 1.460 ( 3.431 18.599 -0.423) 18.918 1.589 ( -4.190 17.736 0.018) 18.224 2.077 ( 2.490 -12.013 1.364) 12.344 2.146 ( -0.680 -8.326 -1.069) 8.422 2.238 ( 1.352 -2.644 1.878) 3.513 2.259 ( 0.560 1.475 -1.282) 2.033 2.284 ( -0.955 0.062 -0.004) 0.957 2.337 ( -3.540 -3.546 -0.931) 5.096 2.377 ( 3.191 -3.002 -1.035) 4.502 2.462 ( 2.102 -3.937 0.204) 4.467 2.503 ( -3.646 -1.704 0.045) 4.025 2.531 ( -1.100 -2.899 -0.033) 3.101 2.838 ( 11.374 18.529 0.185) 21.742 2.880 ( 10.365 16.340 -0.115) 19.350 3.133 ( 2.988 -0.532 0.741) 3.124 3.135 ( 2.631 -0.450 0.351) 2.692 3.219 ( 1.901 -3.898 1.610) 4.626 3.228 ( 0.199 -0.355 -0.855) 0.947 3.280 ( 8.134 -13.096 0.322) 15.420 3.300 ( -3.380 6.732 -0.264) 7.538 3.413 ( 3.024 -3.362 2.457) 5.146 3.425 ( 1.154 -3.467 0.030) 3.654 3.579 ( -2.424 3.283 2.707) 4.897 3.626 ( -1.288 1.219 -3.103) 3.574 3.772 ( -14.774 -13.255 1.173) 19.884 3.795 ( -12.202 -12.570 -2.756) 17.734 4.880 ( 9.306 -2.885 -0.110) 9.744 4.927 ( 6.794 -2.949 0.140) 7.408 7.426 ( -2.309 0.583 -0.004) 2.382 7.436 ( -2.678 0.615 0.051) 2.748 7.678 ( 0.733 4.273 0.508) 4.366 7.690 ( 0.188 3.867 -0.487) 3.902 7.785 ( 1.568 -2.581 0.363) 3.042 7.798 ( 1.230 -2.284 -0.442) 2.632 8.006 ( -0.784 0.181 -0.055) 0.807 8.028 ( -1.716 0.416 -0.001) 1.765 8.789 ( -2.886 1.914 0.200) 3.469 8.790 ( -2.869 1.774 -0.088) 3.374 8.872 ( -0.105 0.132 0.219) 0.276 8.877 ( -0.191 0.105 0.039) 0.222 9.007 ( 0.079 0.892 0.606) 1.081 9.014 ( 0.057 0.349 -0.807) 0.881 9.099 ( -0.067 4.806 0.042) 4.807 9.107 ( -0.469 4.520 -0.030) 4.544 9.170 ( 0.563 0.519 -0.031) 0.766 9.191 ( -0.707 -0.173 -0.032) 0.729 9.228 ( 1.046 -2.965 0.583) 3.197 9.237 ( 0.707 -2.487 -0.442) 2.623 10.231 ( -0.663 4.306 0.687) 4.410 10.259 ( -2.130 4.112 -0.236) 4.637 10.502 ( 1.639 -3.683 0.805) 4.111 10.521 ( 0.955 -4.256 -0.956) 4.466 ======================= Grid point 488 (164/171) ======================= q-point: (-0.10 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( 0.000 5.429 -2.818) 6.116 1.172 ( 0.000 5.429 2.818) 6.116 1.329 ( 0.000 21.194 -0.063) 21.195 1.329 ( 0.000 21.194 0.063) 21.195 2.179 ( -0.000 -2.524 -3.414) 4.246 2.179 ( 0.000 -2.524 3.414) 4.246 2.230 ( 0.000 6.392 -2.121) 6.735 2.230 ( 0.000 6.392 2.121) 6.735 2.338 ( -0.000 -5.733 -0.979) 5.816 2.338 ( -0.000 -5.733 0.979) 5.816 2.462 ( 0.000 -3.321 -0.289) 3.333 2.462 ( 0.000 -3.321 0.289) 3.333 2.574 ( -0.000 -10.735 -0.026) 10.735 2.574 ( -0.000 -10.735 0.026) 10.735 2.780 ( 0.000 15.796 -0.224) 15.798 2.780 ( 0.000 15.796 0.224) 15.798 3.074 ( 0.000 11.950 -0.752) 11.973 3.074 ( 0.000 11.950 0.752) 11.973 3.176 ( -0.000 -0.239 -0.124) 0.269 3.176 ( -0.000 -0.239 0.124) 0.269 3.411 ( -0.000 -5.461 -2.283) 5.919 3.411 ( 0.000 -5.461 2.283) 5.919 3.551 ( -0.000 -4.522 -5.677) 7.258 3.551 ( 0.000 -4.522 5.677) 7.258 3.629 ( -0.000 -11.877 -1.052) 11.923 3.629 ( -0.000 -11.877 1.052) 11.923 3.779 ( -0.000 -15.984 -3.689) 16.404 3.779 ( -0.000 -15.984 3.689) 16.404 5.007 ( -0.000 -5.159 -0.436) 5.177 5.007 ( -0.000 -5.159 0.436) 5.177 7.401 ( 0.000 1.153 -0.104) 1.158 7.401 ( 0.000 1.153 0.104) 1.158 7.642 ( 0.000 5.566 -1.187) 5.691 7.642 ( 0.000 5.566 1.187) 5.691 7.826 ( -0.000 -2.194 -1.048) 2.431 7.826 ( -0.000 -2.194 1.048) 2.431 8.001 ( -0.000 0.578 -0.673) 0.887 8.001 ( 0.000 0.578 0.673) 0.887 8.741 ( 0.000 3.197 -0.340) 3.215 8.741 ( 0.000 3.197 0.340) 3.215 8.871 ( -0.000 0.405 -0.401) 0.570 8.871 ( 0.000 0.405 0.401) 0.570 9.000 ( -0.000 1.797 -1.625) 2.422 9.000 ( 0.000 1.797 1.625) 2.422 9.044 ( 0.000 6.713 -0.377) 6.724 9.044 ( 0.000 6.713 0.377) 6.724 9.181 ( -0.000 -0.304 -0.635) 0.704 9.181 ( 0.000 -0.304 0.635) 0.704 9.264 ( -0.000 -2.331 -0.897) 2.498 9.264 ( -0.000 -2.331 0.897) 2.498 10.185 ( 0.000 5.832 -2.005) 6.167 10.185 ( 0.000 5.832 2.005) 6.167 10.567 ( -0.000 -5.397 -2.183) 5.822 10.567 ( -0.000 -5.397 2.183) 5.822 ======================= Grid point 530 (165/171) ======================= q-point: ( 0.50 -0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( -10.982 -2.238 0.000) 11.208 1.418 ( -10.982 2.238 0.000) 11.208 1.645 ( -2.507 -5.397 0.000) 5.950 1.645 ( -2.507 5.397 0.000) 5.950 1.996 ( 1.883 -7.353 0.000) 7.590 1.996 ( 1.883 7.353 -0.000) 7.590 2.241 ( 1.666 -3.709 0.000) 4.066 2.241 ( 1.666 3.709 0.000) 4.066 2.320 ( -0.001 -2.572 0.000) 2.572 2.320 ( -0.001 2.572 0.000) 2.572 2.446 ( -1.128 -0.382 0.000) 1.191 2.446 ( -1.128 0.382 0.000) 1.191 2.555 ( -0.448 -0.192 0.000) 0.487 2.555 ( -0.448 0.192 0.000) 0.487 2.741 ( 10.882 -5.054 0.000) 11.999 2.741 ( 10.882 5.054 0.000) 11.999 2.953 ( 5.323 -0.782 0.000) 5.380 2.953 ( 5.323 0.782 0.000) 5.380 3.135 ( -0.076 -2.217 0.000) 2.219 3.135 ( -0.076 2.217 0.000) 2.219 3.242 ( 2.685 -0.036 0.000) 2.686 3.242 ( 2.685 0.036 0.000) 2.686 3.391 ( -1.479 -2.908 0.000) 3.262 3.391 ( -1.479 2.908 -0.000) 3.262 3.683 ( -3.221 -4.697 0.000) 5.696 3.683 ( -3.221 4.697 -0.000) 5.696 4.020 ( -15.882 -2.523 -0.000) 16.081 4.020 ( -15.882 2.523 -0.000) 16.081 4.696 ( 14.762 -0.809 0.000) 14.784 4.696 ( 14.762 0.809 0.000) 14.784 7.482 ( -3.061 -0.165 -0.000) 3.065 7.482 ( -3.061 0.165 -0.000) 3.065 7.696 ( -0.356 -2.938 0.000) 2.960 7.696 ( -0.356 2.938 -0.000) 2.960 7.754 ( 2.183 -2.840 0.000) 3.582 7.754 ( 2.183 2.840 -0.000) 3.582 8.043 ( -1.181 -0.465 0.000) 1.270 8.043 ( -1.181 0.465 0.000) 1.270 8.850 ( -3.057 -0.047 -0.000) 3.058 8.850 ( -3.057 0.047 -0.000) 3.058 8.880 ( -1.602 -1.131 0.000) 1.961 8.880 ( -1.602 1.131 -0.000) 1.961 9.019 ( 0.180 -1.989 0.000) 1.997 9.019 ( 0.180 1.989 -0.000) 1.997 9.134 ( -0.368 -1.959 0.000) 1.993 9.134 ( -0.368 1.959 -0.000) 1.993 9.159 ( 1.300 -0.013 0.000) 1.300 9.159 ( 1.300 0.013 0.000) 1.300 9.213 ( 0.213 -1.592 0.000) 1.606 9.213 ( 0.213 1.592 -0.000) 1.606 10.279 ( -2.934 -3.936 0.000) 4.910 10.279 ( -2.934 3.936 -0.000) 4.910 10.475 ( 2.297 -4.631 0.000) 5.169 10.475 ( 2.297 4.631 -0.000) 5.169 ======================= Grid point 542 (166/171) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.196 ( -0.000 -4.270 0.000) 4.270 1.196 ( 0.000 4.270 -0.000) 4.270 1.636 ( -0.000 -6.496 0.000) 6.496 1.636 ( 0.000 6.496 -0.000) 6.496 2.009 ( -0.000 -10.471 0.000) 10.471 2.009 ( 0.000 10.471 -0.000) 10.471 2.264 ( -0.000 -3.637 0.000) 3.637 2.264 ( 0.000 3.637 -0.000) 3.637 2.327 ( -0.000 -1.096 0.000) 1.096 2.327 ( 0.000 1.096 -0.000) 1.096 2.411 ( -0.000 -0.251 0.000) 0.251 2.411 ( 0.000 0.251 -0.000) 0.251 2.540 ( -0.000 -1.392 0.000) 1.392 2.540 ( 0.000 1.392 -0.000) 1.392 3.053 ( -0.000 -0.606 0.000) 0.606 3.053 ( 0.000 0.606 -0.000) 0.606 3.097 ( -0.000 -12.123 0.000) 12.123 3.097 ( 0.000 12.123 -0.000) 12.123 3.251 ( -0.000 -11.006 0.000) 11.006 3.251 ( 0.000 11.006 -0.000) 11.006 3.326 ( -0.000 -13.538 0.000) 13.538 3.326 ( 0.000 13.538 -0.000) 13.538 3.348 ( -0.000 -5.597 0.000) 5.597 3.348 ( 0.000 5.597 -0.000) 5.597 3.354 ( -0.000 -13.511 0.000) 13.511 3.354 ( 0.000 13.511 -0.000) 13.511 3.767 ( -0.000 -3.140 0.000) 3.140 3.767 ( 0.000 3.140 -0.000) 3.140 4.958 ( -0.000 -0.788 0.000) 0.788 4.958 ( 0.000 0.788 -0.000) 0.788 7.410 ( -0.000 -0.189 0.000) 0.189 7.410 ( 0.000 0.189 -0.000) 0.189 7.701 ( -0.000 -3.049 0.000) 3.049 7.701 ( 0.000 3.049 -0.000) 3.049 7.803 ( -0.000 -2.845 0.000) 2.845 7.803 ( 0.000 2.845 -0.000) 2.845 8.008 ( -0.000 -0.978 0.000) 0.978 8.008 ( 0.000 0.978 -0.000) 0.978 8.768 ( -0.000 -0.369 0.000) 0.369 8.768 ( 0.000 0.369 -0.000) 0.369 8.862 ( -0.000 -0.771 0.000) 0.771 8.862 ( 0.000 0.771 -0.000) 0.771 9.021 ( -0.000 -2.201 0.000) 2.201 9.021 ( 0.000 2.201 -0.000) 2.201 9.126 ( -0.000 -1.877 0.000) 1.877 9.126 ( 0.000 1.877 -0.000) 1.877 9.183 ( -0.000 -1.043 0.000) 1.043 9.183 ( 0.000 1.043 -0.000) 1.043 9.220 ( -0.000 -2.522 0.000) 2.522 9.220 ( 0.000 2.522 -0.000) 2.522 10.228 ( -0.000 -3.870 0.000) 3.870 10.228 ( 0.000 3.870 -0.000) 3.870 10.513 ( -0.000 -4.141 0.000) 4.141 10.513 ( 0.000 4.141 -0.000) 4.141 ======================= Grid point 554 (167/171) ======================= q-point: (-0.40 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( -0.000 -3.939 0.662) 3.994 1.199 ( 0.000 3.939 0.662) 3.994 1.636 ( -0.000 -6.174 -0.120) 6.175 1.636 ( 0.000 6.174 -0.120) 6.175 2.012 ( -0.000 -10.156 0.791) 10.187 2.012 ( 0.000 10.156 0.791) 10.187 2.263 ( -0.000 -3.624 -0.195) 3.629 2.263 ( 0.000 3.624 -0.195) 3.629 2.321 ( -0.000 -1.053 -1.415) 1.764 2.321 ( -0.000 1.053 -1.415) 1.764 2.417 ( 0.000 -0.046 1.280) 1.281 2.417 ( 0.000 0.046 1.280) 1.281 2.531 ( -0.000 -0.997 -2.166) 2.384 2.531 ( -0.000 0.997 -2.166) 2.384 3.068 ( 0.000 -0.318 3.463) 3.478 3.068 ( 0.000 0.318 3.463) 3.478 3.099 ( -0.000 -11.765 0.608) 11.781 3.099 ( 0.000 11.765 0.608) 11.781 3.250 ( -0.000 -10.546 -0.146) 10.547 3.250 ( 0.000 10.546 -0.146) 10.547 3.320 ( -0.000 -11.944 -1.165) 12.001 3.320 ( 0.000 11.944 -1.165) 12.001 3.349 ( -0.000 -7.102 -0.080) 7.102 3.349 ( 0.000 7.102 -0.080) 7.102 3.366 ( 0.000 -0.716 2.870) 2.958 3.366 ( 0.000 0.716 2.870) 2.958 3.760 ( -0.000 -3.183 -1.889) 3.702 3.760 ( 0.000 3.183 -1.889) 3.702 4.958 ( -0.000 -0.716 0.042) 0.717 4.958 ( 0.000 0.716 0.042) 0.717 7.410 ( 0.000 -0.170 0.052) 0.178 7.410 ( 0.000 0.170 0.052) 0.178 7.702 ( -0.000 -2.950 0.188) 2.956 7.702 ( 0.000 2.950 0.188) 2.956 7.802 ( -0.000 -2.754 -0.276) 2.767 7.802 ( 0.000 2.754 -0.276) 2.767 8.008 ( -0.000 -0.919 -0.027) 0.919 8.008 ( 0.000 0.919 -0.027) 0.919 8.768 ( -0.000 -0.356 0.124) 0.377 8.768 ( 0.000 0.356 0.124) 0.377 8.864 ( -0.000 -0.724 0.265) 0.771 8.864 ( 0.000 0.724 0.265) 0.771 9.020 ( -0.000 -2.100 -0.169) 2.107 9.020 ( 0.000 2.100 -0.169) 2.107 9.126 ( -0.000 -1.735 0.081) 1.737 9.126 ( 0.000 1.735 0.081) 1.737 9.182 ( -0.000 -0.926 -0.146) 0.938 9.182 ( 0.000 0.926 -0.146) 0.938 9.220 ( -0.000 -2.401 0.161) 2.406 9.220 ( 0.000 2.401 0.161) 2.406 10.230 ( -0.000 -3.725 0.605) 3.773 10.230 ( 0.000 3.725 0.605) 3.773 10.512 ( -0.000 -3.984 -0.235) 3.991 10.512 ( 0.000 3.984 -0.235) 3.991 ======================= Grid point 566 (168/171) ======================= q-point: (-0.30 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( -0.000 -3.010 1.072) 3.195 1.206 ( 0.000 3.010 1.072) 3.195 1.635 ( -0.000 -5.215 -0.198) 5.219 1.635 ( 0.000 5.215 -0.198) 5.219 2.021 ( -0.000 -9.119 1.305) 9.212 2.021 ( 0.000 9.119 1.305) 9.212 2.262 ( -0.000 -3.473 -0.234) 3.481 2.262 ( 0.000 3.473 -0.234) 3.481 2.307 ( -0.000 -1.177 -1.806) 2.155 2.307 ( -0.000 1.177 -1.806) 2.155 2.428 ( 0.000 -0.000 1.140) 1.140 2.428 ( 0.000 0.000 1.140) 1.140 2.510 ( -0.000 -0.281 -2.706) 2.721 2.510 ( -0.000 0.281 -2.706) 2.721 3.101 ( 0.000 -3.391 3.525) 4.891 3.101 ( 0.000 3.391 3.525) 4.891 3.108 ( -0.000 -7.170 2.208) 7.502 3.108 ( 0.000 7.170 2.208) 7.502 3.249 ( -0.000 -9.012 -0.199) 9.014 3.249 ( 0.000 9.012 -0.199) 9.014 3.311 ( -0.000 -10.452 -0.875) 10.489 3.311 ( 0.000 10.452 -0.875) 10.489 3.347 ( -0.000 -9.381 -0.217) 9.383 3.347 ( 0.000 9.381 -0.217) 9.383 3.397 ( 0.000 -5.064 4.771) 6.957 3.397 ( 0.000 5.064 4.771) 6.957 3.737 ( -0.000 -3.313 -3.758) 5.010 3.737 ( -0.000 3.313 -3.758) 5.010 4.959 ( 0.000 -0.524 0.069) 0.528 4.959 ( 0.000 0.524 0.069) 0.528 7.411 ( 0.000 -0.122 0.085) 0.148 7.411 ( 0.000 0.122 0.085) 0.148 7.704 ( -0.000 -2.633 0.321) 2.653 7.704 ( 0.000 2.633 0.321) 2.653 7.799 ( -0.000 -2.459 -0.462) 2.502 7.799 ( 0.000 2.459 -0.462) 2.502 8.007 ( -0.000 -0.747 -0.046) 0.749 8.007 ( 0.000 0.747 -0.046) 0.749 8.770 ( 0.000 -0.313 0.197) 0.370 8.770 ( 0.000 0.313 0.197) 0.370 8.866 ( 0.000 -0.592 0.441) 0.738 8.866 ( 0.000 0.592 0.441) 0.738 9.018 ( -0.000 -1.804 -0.264) 1.823 9.018 ( 0.000 1.804 -0.264) 1.823 9.127 ( -0.000 -1.334 0.047) 1.334 9.127 ( 0.000 1.334 0.047) 1.334 9.181 ( -0.000 -0.598 -0.107) 0.607 9.181 ( 0.000 0.598 -0.107) 0.607 9.222 ( -0.000 -2.066 0.198) 2.076 9.222 ( 0.000 2.066 0.198) 2.076 10.237 ( -0.000 -3.271 1.000) 3.421 10.237 ( 0.000 3.271 1.000) 3.421 10.509 ( -0.000 -3.496 -0.401) 3.518 10.509 ( 0.000 3.496 -0.401) 3.518 ======================= Grid point 579 (169/171) ======================= q-point: (-0.20 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.215 ( 0.000 -1.712 1.072) 2.021 1.215 ( 0.000 1.712 1.072) 2.021 1.633 ( -0.000 -3.650 -0.204) 3.656 1.633 ( 0.000 3.650 -0.204) 3.656 2.032 ( -0.000 -7.105 1.339) 7.231 2.032 ( 0.000 7.105 1.339) 7.231 2.260 ( -0.000 -2.896 -0.026) 2.896 2.260 ( 0.000 2.896 -0.026) 2.896 2.293 ( -0.000 -1.231 -1.634) 2.046 2.293 ( 0.000 1.231 -1.634) 2.046 2.432 ( 0.000 -0.052 -0.228) 0.233 2.432 ( 0.000 0.052 -0.228) 0.233 2.493 ( 0.000 -0.036 -1.348) 1.348 2.493 ( 0.000 0.036 -1.348) 1.348 3.114 ( -0.000 -8.794 1.130) 8.866 3.114 ( 0.000 8.794 1.130) 8.866 3.138 ( 0.000 -0.251 3.527) 3.536 3.138 ( 0.000 0.251 3.527) 3.536 3.248 ( -0.000 -6.109 -0.112) 6.110 3.248 ( 0.000 6.109 -0.112) 6.110 3.306 ( -0.000 -8.511 -0.419) 8.522 3.306 ( 0.000 8.511 -0.419) 8.522 3.345 ( -0.000 -7.659 -0.257) 7.664 3.345 ( 0.000 7.659 -0.257) 7.664 3.442 ( 0.000 -5.555 6.619) 8.641 3.442 ( 0.000 5.555 6.619) 8.641 3.701 ( -0.000 -3.505 -5.450) 6.480 3.701 ( -0.000 3.505 -5.450) 6.480 4.959 ( 0.000 -0.281 0.069) 0.290 4.959 ( 0.000 0.281 0.069) 0.290 7.411 ( 0.000 -0.064 0.085) 0.107 7.411 ( 0.000 0.064 0.085) 0.107 7.707 ( -0.000 -2.045 0.345) 2.074 7.707 ( 0.000 2.045 0.345) 2.074 7.795 ( -0.000 -1.907 -0.485) 1.968 7.795 ( 0.000 1.907 -0.485) 1.968 8.007 ( 0.000 -0.484 -0.047) 0.486 8.007 ( 0.000 0.484 -0.047) 0.486 8.771 ( 0.000 -0.237 0.193) 0.305 8.771 ( 0.000 0.237 0.193) 0.305 8.870 ( 0.000 -0.404 0.456) 0.610 8.870 ( 0.000 0.404 0.456) 0.610 9.016 ( -0.000 -1.329 -0.255) 1.353 9.016 ( 0.000 1.329 -0.255) 1.353 9.127 ( -0.000 -0.801 -0.055) 0.803 9.127 ( 0.000 0.801 -0.055) 0.803 9.180 ( 0.000 -0.196 0.036) 0.199 9.180 ( 0.000 0.196 0.036) 0.199 9.223 ( -0.000 -1.542 0.138) 1.548 9.223 ( 0.000 1.542 0.138) 1.548 10.245 ( -0.000 -2.472 1.028) 2.677 10.245 ( 0.000 2.472 1.028) 2.677 10.506 ( -0.000 -2.644 -0.430) 2.679 10.506 ( 0.000 2.644 -0.430) 2.679 ======================= Grid point 592 (170/171) ======================= q-point: (-0.10 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( 0.000 -0.506 0.664) 0.835 1.222 ( 0.000 0.506 0.664) 0.835 1.631 ( 0.000 -1.573 -0.129) 1.578 1.631 ( 0.000 1.573 -0.129) 1.578 2.041 ( -0.000 -3.861 0.845) 3.953 2.041 ( 0.000 3.861 0.845) 3.953 2.261 ( 0.000 -1.559 0.297) 1.587 2.261 ( 0.000 1.559 0.297) 1.587 2.282 ( -0.000 -0.808 -1.193) 1.440 2.282 ( -0.000 0.808 -1.193) 1.440 2.426 ( 0.000 -0.069 -0.867) 0.869 2.426 ( 0.000 0.069 -0.867) 0.869 2.488 ( 0.000 -0.007 -0.102) 0.102 2.488 ( 0.000 0.007 -0.102) 0.102 3.121 ( -0.000 -5.256 0.747) 5.309 3.121 ( 0.000 5.256 0.747) 5.309 3.158 ( 0.000 -0.764 1.570) 1.746 3.158 ( 0.000 0.764 1.570) 1.746 3.247 ( 0.000 -2.291 0.000) 2.291 3.247 ( 0.000 2.291 0.000) 2.291 3.304 ( -0.000 -4.902 -0.093) 4.903 3.304 ( 0.000 4.902 -0.093) 4.903 3.343 ( 0.000 -3.844 -0.184) 3.848 3.343 ( 0.000 3.844 -0.184) 3.848 3.499 ( 0.000 -4.639 7.139) 8.514 3.499 ( 0.000 4.639 7.139) 8.514 3.653 ( -0.000 -3.483 -6.225) 7.133 3.653 ( -0.000 3.483 -6.225) 7.133 4.960 ( 0.000 -0.079 0.043) 0.090 4.960 ( 0.000 0.079 0.043) 0.090 7.412 ( 0.000 -0.018 0.053) 0.056 7.412 ( 0.000 0.018 0.053) 0.056 7.709 ( -0.000 -1.141 0.228) 1.163 7.709 ( 0.000 1.141 0.228) 1.163 7.792 ( -0.000 -1.045 -0.314) 1.091 7.792 ( 0.000 1.045 -0.314) 1.091 8.007 ( 0.000 -0.175 -0.030) 0.178 8.007 ( 0.000 0.175 -0.030) 0.178 8.772 ( 0.000 -0.129 0.117) 0.174 8.772 ( 0.000 0.129 0.117) 0.174 8.873 ( 0.000 -0.187 0.290) 0.345 8.873 ( 0.000 0.187 0.290) 0.345 9.014 ( -0.000 -0.705 -0.155) 0.722 9.014 ( 0.000 0.705 -0.155) 0.722 9.126 ( -0.000 -0.325 -0.080) 0.335 9.126 ( 0.000 0.325 -0.080) 0.335 9.181 ( 0.000 -0.006 0.085) 0.086 9.181 ( 0.000 0.006 0.085) 0.086 9.224 ( -0.000 -0.823 0.059) 0.825 9.224 ( 0.000 0.823 0.059) 0.825 10.252 ( 0.000 -1.313 0.652) 1.466 10.252 ( 0.000 1.313 0.652) 1.466 10.503 ( -0.000 -1.428 -0.282) 1.456 10.503 ( 0.000 1.428 -0.282) 1.456 ======================= Grid point 594 (171/171) ======================= q-point: (-1.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( -6.457 0.000 -0.000) 6.457 1.225 ( 6.457 -0.000 0.000) 6.457 1.631 ( -3.781 0.000 -0.000) 3.781 1.631 ( 3.781 -0.000 0.000) 3.781 2.044 ( -2.648 0.000 -0.000) 2.648 2.044 ( 2.648 -0.000 0.000) 2.648 2.263 ( -2.956 0.000 -0.000) 2.956 2.263 ( 2.956 -0.000 0.000) 2.956 2.276 ( -0.482 0.000 -0.000) 0.482 2.276 ( 0.482 -0.000 0.000) 0.482 2.422 ( -4.239 0.000 -0.000) 4.239 2.422 ( 4.239 -0.000 0.000) 4.239 2.488 ( -2.364 0.000 -0.000) 2.364 2.488 ( 2.364 -0.000 0.000) 2.364 3.124 ( -1.495 0.000 -0.000) 1.495 3.124 ( 1.495 -0.000 0.000) 1.495 3.164 ( -0.287 0.000 -0.000) 0.287 3.164 ( 0.287 -0.000 0.000) 0.287 3.247 ( -6.403 0.000 -0.000) 6.403 3.247 ( 6.403 -0.000 0.000) 6.403 3.304 ( -3.667 0.000 -0.000) 3.667 3.304 ( 3.667 -0.000 0.000) 3.667 3.343 ( -7.063 0.000 -0.000) 7.063 3.343 ( 7.063 -0.000 0.000) 7.063 3.537 ( -2.826 0.000 -0.000) 2.826 3.537 ( 2.826 -0.000 0.000) 2.826 3.618 ( -0.228 0.000 -0.000) 0.228 3.618 ( 0.228 -0.000 0.000) 0.228 4.960 ( -1.514 0.000 -0.000) 1.514 4.960 ( 1.514 -0.000 0.000) 1.514 7.412 ( -0.394 0.000 -0.000) 0.394 7.412 ( 0.394 -0.000 0.000) 0.394 7.710 ( -0.214 0.000 -0.000) 0.214 7.710 ( 0.214 -0.000 0.000) 0.214 7.790 ( -0.579 0.000 -0.000) 0.579 7.790 ( 0.579 -0.000 0.000) 0.579 8.007 ( -0.855 0.000 -0.000) 0.855 8.007 ( 0.855 -0.000 0.000) 0.855 8.773 ( -0.012 0.000 -0.000) 0.012 8.773 ( 0.012 -0.000 0.000) 0.012 8.874 ( -0.219 0.000 -0.000) 0.219 8.874 ( 0.219 -0.000 0.000) 0.219 9.014 ( -0.145 0.000 -0.000) 0.145 9.014 ( 0.145 -0.000 0.000) 0.145 9.126 ( -0.265 0.000 -0.000) 0.265 9.126 ( 0.265 -0.000 0.000) 0.265 9.181 ( -0.347 0.000 -0.000) 0.347 9.181 ( 0.347 -0.000 0.000) 0.347 9.224 ( -0.420 0.000 -0.000) 0.420 9.224 ( 0.420 -0.000 0.000) 0.420 10.255 ( -0.801 0.000 -0.000) 0.801 10.255 ( 0.801 -0.000 0.000) 0.801 10.502 ( -0.495 0.000 -0.000) 0.495 10.502 ( 0.495 -0.000 0.000) 0.495 =================== 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 3/54000 10.0 62.262 81.718 66.393 -0.000 0.000 0.000 3/54000 20.0 31.041 35.924 15.292 -0.000 0.000 0.000 3/54000 30.0 17.590 19.471 6.386 -0.000 0.000 0.000 3/54000 40.0 12.699 13.806 3.746 -0.000 0.000 0.000 3/54000 50.0 10.278 11.084 2.632 -0.000 0.000 0.000 3/54000 60.0 8.784 9.436 2.038 -0.000 0.000 0.000 3/54000 70.0 7.728 8.286 1.672 -0.000 0.000 0.000 3/54000 80.0 6.921 7.413 1.423 -0.000 0.000 0.000 3/54000 90.0 6.275 6.717 1.242 -0.000 0.000 0.000 3/54000 100.0 5.742 6.144 1.104 -0.000 0.000 0.000 3/54000 110.0 5.294 5.663 0.996 -0.000 0.000 0.000 3/54000 120.0 4.911 5.252 0.908 -0.000 0.000 0.000 3/54000 130.0 4.579 4.897 0.835 -0.000 0.000 0.000 3/54000 140.0 4.290 4.586 0.773 -0.000 0.000 0.000 3/54000 150.0 4.034 4.313 0.720 -0.000 0.000 0.000 3/54000 160.0 3.807 4.070 0.675 -0.000 0.000 0.000 3/54000 170.0 3.604 3.853 0.634 -0.000 0.000 0.000 3/54000 180.0 3.422 3.657 0.599 -0.000 0.000 0.000 3/54000 190.0 3.257 3.481 0.568 -0.000 0.000 0.000 3/54000 200.0 3.107 3.320 0.539 -0.000 0.000 0.000 3/54000 210.0 2.970 3.174 0.514 -0.000 0.000 0.000 3/54000 220.0 2.844 3.040 0.491 -0.000 0.000 0.000 3/54000 230.0 2.729 2.916 0.469 -0.000 0.000 0.000 3/54000 240.0 2.623 2.802 0.450 -0.000 0.000 0.000 3/54000 250.0 2.524 2.697 0.432 -0.000 0.000 0.000 3/54000 260.0 2.433 2.599 0.416 -0.000 0.000 0.000 3/54000 270.0 2.348 2.508 0.401 -0.000 0.000 0.000 3/54000 280.0 2.268 2.424 0.387 -0.000 0.000 0.000 3/54000 290.0 2.194 2.344 0.374 -0.000 0.000 0.000 3/54000 300.0 2.125 2.270 0.361 -0.000 0.000 0.000 3/54000 310.0 2.059 2.200 0.350 -0.000 0.000 0.000 3/54000 320.0 1.998 2.135 0.339 -0.000 0.000 0.000 3/54000 330.0 1.940 2.073 0.329 -0.000 0.000 0.000 3/54000 340.0 1.886 2.014 0.320 -0.000 0.000 0.000 3/54000 350.0 1.834 1.959 0.311 -0.000 0.000 0.000 3/54000 360.0 1.785 1.907 0.302 -0.000 0.000 0.000 3/54000 370.0 1.739 1.857 0.294 -0.000 0.000 0.000 3/54000 380.0 1.695 1.810 0.287 -0.000 0.000 0.000 3/54000 390.0 1.653 1.765 0.279 -0.000 0.000 0.000 3/54000 400.0 1.613 1.723 0.272 -0.000 0.000 0.000 3/54000 410.0 1.575 1.682 0.266 -0.000 0.000 0.000 3/54000 420.0 1.539 1.643 0.260 -0.000 0.000 0.000 3/54000 430.0 1.504 1.606 0.254 -0.000 0.000 0.000 3/54000 440.0 1.471 1.571 0.248 -0.000 0.000 0.000 3/54000 450.0 1.439 1.537 0.243 -0.000 0.000 0.000 3/54000 460.0 1.409 1.505 0.238 -0.000 0.000 0.000 3/54000 470.0 1.380 1.474 0.233 -0.000 0.000 0.000 3/54000 480.0 1.352 1.444 0.228 -0.000 0.000 0.000 3/54000 490.0 1.325 1.415 0.223 -0.000 0.000 0.000 3/54000 500.0 1.299 1.388 0.219 -0.000 0.000 0.000 3/54000 510.0 1.275 1.361 0.215 -0.000 0.000 0.000 3/54000 520.0 1.251 1.336 0.211 -0.000 0.000 0.000 3/54000 530.0 1.228 1.311 0.207 -0.000 0.000 0.000 3/54000 540.0 1.206 1.287 0.203 -0.000 0.000 0.000 3/54000 550.0 1.184 1.265 0.199 -0.000 0.000 0.000 3/54000 560.0 1.164 1.242 0.196 -0.000 0.000 0.000 3/54000 570.0 1.144 1.221 0.192 -0.000 0.000 0.000 3/54000 580.0 1.124 1.201 0.189 -0.000 0.000 0.000 3/54000 590.0 1.106 1.181 0.186 -0.000 0.000 0.000 3/54000 600.0 1.088 1.161 0.183 -0.000 0.000 0.000 3/54000 610.0 1.070 1.143 0.180 -0.000 0.000 0.000 3/54000 620.0 1.053 1.125 0.177 -0.000 0.000 0.000 3/54000 630.0 1.037 1.107 0.174 -0.000 0.000 0.000 3/54000 640.0 1.021 1.090 0.172 -0.000 0.000 0.000 3/54000 650.0 1.006 1.074 0.169 -0.000 0.000 0.000 3/54000 660.0 0.991 1.058 0.167 -0.000 0.000 0.000 3/54000 670.0 0.976 1.042 0.164 -0.000 0.000 0.000 3/54000 680.0 0.962 1.027 0.162 -0.000 0.000 0.000 3/54000 690.0 0.949 1.013 0.159 -0.000 0.000 0.000 3/54000 700.0 0.935 0.999 0.157 -0.000 0.000 0.000 3/54000 710.0 0.922 0.985 0.155 -0.000 0.000 0.000 3/54000 720.0 0.910 0.971 0.153 -0.000 0.000 0.000 3/54000 730.0 0.897 0.958 0.151 -0.000 0.000 0.000 3/54000 740.0 0.886 0.946 0.149 -0.000 0.000 0.000 3/54000 750.0 0.874 0.933 0.147 -0.000 0.000 0.000 3/54000 760.0 0.863 0.921 0.145 -0.000 0.000 0.000 3/54000 770.0 0.852 0.909 0.143 -0.000 0.000 0.000 3/54000 780.0 0.841 0.898 0.141 -0.000 0.000 0.000 3/54000 790.0 0.830 0.887 0.140 -0.000 0.000 0.000 3/54000 800.0 0.820 0.876 0.138 -0.000 0.000 0.000 3/54000 810.0 0.810 0.865 0.136 -0.000 0.000 0.000 3/54000 820.0 0.801 0.855 0.135 -0.000 0.000 0.000 3/54000 830.0 0.791 0.845 0.133 -0.000 0.000 0.000 3/54000 840.0 0.782 0.835 0.131 -0.000 0.000 0.000 3/54000 850.0 0.773 0.825 0.130 -0.000 0.000 0.000 3/54000 860.0 0.764 0.815 0.128 -0.000 0.000 0.000 3/54000 870.0 0.755 0.806 0.127 -0.000 0.000 0.000 3/54000 880.0 0.747 0.797 0.125 -0.000 0.000 0.000 3/54000 890.0 0.738 0.788 0.124 -0.000 0.000 0.000 3/54000 900.0 0.730 0.780 0.123 -0.000 0.000 0.000 3/54000 910.0 0.722 0.771 0.121 -0.000 0.000 0.000 3/54000 920.0 0.715 0.763 0.120 -0.000 0.000 0.000 3/54000 930.0 0.707 0.755 0.119 -0.000 0.000 0.000 3/54000 940.0 0.700 0.747 0.118 -0.000 0.000 0.000 3/54000 950.0 0.692 0.739 0.116 -0.000 0.000 0.000 3/54000 960.0 0.685 0.732 0.115 -0.000 0.000 0.000 3/54000 970.0 0.678 0.724 0.114 -0.000 0.000 0.000 3/54000 980.0 0.672 0.717 0.113 -0.000 0.000 0.000 3/54000 990.0 0.665 0.710 0.112 -0.000 0.000 0.000 3/54000 1000.0 0.658 0.703 0.111 -0.000 0.000 0.000 3/54000 Thermal conductivity related properties were written into "kappa-m101010.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:41:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|