----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 06:16:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnna (52) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.427185270000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.318651910000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.854745440000000 Atomic positions (fractional): *1 O 0.59459651777265 0.89684689964473 0.32759772615126 15.999 *2 O 0.54786134858674 0.61928894828199 0.58322445115911 15.999 3 O 0.54786134858674 0.88071105171801 0.91677554884089 15.999 4 O 0.95213865141326 0.38071105171801 0.58322445115911 15.999 5 O 0.59459651777265 0.60315310035527 0.17240227384873 15.999 6 O 0.90540348222735 0.10315310035527 0.32759772615126 15.999 7 O 0.90540348222735 0.39684689964473 0.17240227384873 15.999 8 O 0.40540348222735 0.10315310035527 0.67240227384873 15.999 9 O 0.40540348222735 0.39684689964473 0.82759772615127 15.999 10 O 0.95213865141326 0.11928894828198 0.91677554884089 15.999 11 O 0.09459651777265 0.89684689964473 0.67240227384873 15.999 12 O 0.04786134858674 0.88071105171801 0.08322445115911 15.999 13 O 0.04786134858674 0.61928894828199 0.41677554884089 15.999 14 O 0.45213865141326 0.11928894828198 0.08322445115911 15.999 15 O 0.45213865141326 0.38071105171801 0.41677554884089 15.999 16 O 0.09459651777265 0.60315310035527 0.82759772615127 15.999 *17 Sr 0.25000000000000 0.00000000000000 0.88330363877131 87.620 18 Sr 0.25000000000000 0.50000000000000 0.61669636122869 87.620 19 Sr 0.75000000000000 0.00000000000000 0.11669636122869 87.620 20 Sr 0.75000000000000 0.50000000000000 0.38330363877131 87.620 *21 Ag 0.42133781679525 0.23899397917536 0.53844203829095 107.868 22 Ag 0.92133781679525 0.23899397917536 0.46155796170905 107.868 23 Ag 0.92133781679525 0.26100602082465 0.03844203829095 107.868 24 Ag 0.57866218320475 0.76100602082464 0.46155796170905 107.868 *25 Ag 0.40577513213180 0.75000000000000 0.75000000000000 107.868 26 Ag 0.09422486786820 0.25000000000000 0.75000000000000 107.868 27 Ag 0.59422486786820 0.25000000000000 0.25000000000000 107.868 28 Ag 0.90577513213180 0.75000000000000 0.25000000000000 107.868 29 Ag 0.42133781679525 0.26100602082465 0.96155796170905 107.868 30 Ag 0.07866218320475 0.76100602082464 0.53844203829095 107.868 31 Ag 0.07866218320475 0.73899397917536 0.96155796170905 107.868 *32 Ag 0.29063406467605 0.87742488765847 0.24032567656081 107.868 33 Ag 0.29063406467605 0.62257511234153 0.25967432343919 107.868 34 Ag 0.20936593532395 0.12257511234153 0.24032567656081 107.868 35 Ag 0.20936593532395 0.37742488765847 0.25967432343919 107.868 36 Ag 0.70936593532395 0.12257511234153 0.75967432343918 107.868 37 Ag 0.70936593532395 0.37742488765847 0.74032567656082 107.868 38 Ag 0.79063406467605 0.87742488765847 0.75967432343918 107.868 39 Ag 0.79063406467605 0.62257511234153 0.74032567656082 107.868 *40 Ag 0.50000000000000 0.00000000000000 0.50000000000000 107.868 41 Ag 0.50000000000000 0.50000000000000 0.00000000000000 107.868 42 Ag 0.00000000000000 0.00000000000000 0.50000000000000 107.868 43 Ag 0.00000000000000 0.50000000000000 0.00000000000000 107.868 44 Ag 0.57866218320475 0.73899397917536 0.03844203829095 107.868 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.427185270000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.318651910000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.854745440000000 Atomic positions (fractional): *1 O 0.59459651777265 0.89684689964473 0.32759772615126 15.999 > 1 *2 O 0.54786134858674 0.61928894828199 0.58322445115911 15.999 > 2 3 O 0.54786134858674 0.88071105171801 0.91677554884089 15.999 > 3 4 O 0.95213865141326 0.38071105171801 0.58322445115911 15.999 > 4 5 O 0.59459651777265 0.60315310035527 0.17240227384873 15.999 > 5 6 O 0.90540348222735 0.10315310035527 0.32759772615126 15.999 > 6 7 O 0.90540348222735 0.39684689964473 0.17240227384873 15.999 > 7 8 O 0.40540348222735 0.10315310035527 0.67240227384873 15.999 > 8 9 O 0.40540348222735 0.39684689964473 0.82759772615127 15.999 > 9 10 O 0.95213865141326 0.11928894828198 0.91677554884089 15.999 > 10 11 O 0.09459651777265 0.89684689964473 0.67240227384873 15.999 > 11 12 O 0.04786134858674 0.88071105171801 0.08322445115911 15.999 > 12 13 O 0.04786134858674 0.61928894828199 0.41677554884089 15.999 > 13 14 O 0.45213865141326 0.11928894828198 0.08322445115911 15.999 > 14 15 O 0.45213865141326 0.38071105171801 0.41677554884089 15.999 > 15 16 O 0.09459651777265 0.60315310035527 0.82759772615127 15.999 > 16 *17 Sr 0.25000000000000 0.00000000000000 0.88330363877131 87.620 > 17 18 Sr 0.25000000000000 0.50000000000000 0.61669636122869 87.620 > 18 19 Sr 0.75000000000000 0.00000000000000 0.11669636122869 87.620 > 19 20 Sr 0.75000000000000 0.50000000000000 0.38330363877131 87.620 > 20 *21 Ag 0.42133781679525 0.23899397917536 0.53844203829095 107.868 > 21 22 Ag 0.92133781679525 0.23899397917536 0.46155796170905 107.868 > 22 23 Ag 0.92133781679525 0.26100602082465 0.03844203829095 107.868 > 23 24 Ag 0.57866218320475 0.76100602082464 0.46155796170905 107.868 > 24 *25 Ag 0.40577513213180 0.75000000000000 0.75000000000000 107.868 > 25 26 Ag 0.09422486786820 0.25000000000000 0.75000000000000 107.868 > 26 27 Ag 0.59422486786820 0.25000000000000 0.25000000000000 107.868 > 27 28 Ag 0.90577513213180 0.75000000000000 0.25000000000000 107.868 > 28 29 Ag 0.42133781679525 0.26100602082465 0.96155796170905 107.868 > 29 30 Ag 0.07866218320475 0.76100602082464 0.53844203829095 107.868 > 30 31 Ag 0.07866218320475 0.73899397917536 0.96155796170905 107.868 > 31 *32 Ag 0.29063406467605 0.87742488765847 0.24032567656081 107.868 > 32 33 Ag 0.29063406467605 0.62257511234153 0.25967432343919 107.868 > 33 34 Ag 0.20936593532395 0.12257511234153 0.24032567656081 107.868 > 34 35 Ag 0.20936593532395 0.37742488765847 0.25967432343919 107.868 > 35 36 Ag 0.70936593532395 0.12257511234153 0.75967432343918 107.868 > 36 37 Ag 0.70936593532395 0.37742488765847 0.74032567656082 107.868 > 37 38 Ag 0.79063406467605 0.87742488765847 0.75967432343918 107.868 > 38 39 Ag 0.79063406467605 0.62257511234153 0.74032567656082 107.868 > 39 *40 Ag 0.50000000000000 0.00000000000000 0.50000000000000 107.868 > 40 41 Ag 0.50000000000000 0.50000000000000 0.00000000000000 107.868 > 41 42 Ag 0.00000000000000 0.00000000000000 0.50000000000000 107.868 > 42 43 Ag 0.00000000000000 0.50000000000000 0.00000000000000 107.868 > 43 44 Ag 0.57866218320475 0.73899397917536 0.03844203829095 107.868 > 44 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.854370540000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.318651910000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.854745440000000 Atomic positions (fractional): *1 O 0.29729825888633 0.89684689964473 0.32759772615126 15.999 > 1 2 O 0.79729825888633 0.89684689964473 0.32759772615126 15.999 > 1 *3 O 0.27393067429337 0.61928894828199 0.58322445115911 15.999 > 2 4 O 0.77393067429337 0.61928894828199 0.58322445115911 15.999 > 2 5 O 0.27393067429337 0.88071105171801 0.91677554884089 15.999 > 3 6 O 0.77393067429337 0.88071105171801 0.91677554884089 15.999 > 3 7 O 0.47606932570663 0.38071105171801 0.58322445115911 15.999 > 4 8 O 0.97606932570663 0.38071105171801 0.58322445115911 15.999 > 4 9 O 0.29729825888633 0.60315310035527 0.17240227384873 15.999 > 5 10 O 0.79729825888633 0.60315310035527 0.17240227384873 15.999 > 5 11 O 0.45270174111367 0.10315310035527 0.32759772615126 15.999 > 6 12 O 0.95270174111367 0.10315310035527 0.32759772615126 15.999 > 6 13 O 0.45270174111367 0.39684689964473 0.17240227384873 15.999 > 7 14 O 0.95270174111367 0.39684689964473 0.17240227384873 15.999 > 7 15 O 0.20270174111367 0.10315310035527 0.67240227384873 15.999 > 8 16 O 0.70270174111367 0.10315310035527 0.67240227384873 15.999 > 8 17 O 0.20270174111367 0.39684689964473 0.82759772615127 15.999 > 9 18 O 0.70270174111367 0.39684689964473 0.82759772615127 15.999 > 9 19 O 0.47606932570663 0.11928894828198 0.91677554884089 15.999 > 10 20 O 0.97606932570663 0.11928894828198 0.91677554884089 15.999 > 10 21 O 0.04729825888633 0.89684689964473 0.67240227384873 15.999 > 11 22 O 0.54729825888633 0.89684689964473 0.67240227384873 15.999 > 11 23 O 0.02393067429337 0.88071105171801 0.08322445115911 15.999 > 12 24 O 0.52393067429337 0.88071105171801 0.08322445115911 15.999 > 12 25 O 0.02393067429337 0.61928894828199 0.41677554884089 15.999 > 13 26 O 0.52393067429337 0.61928894828199 0.41677554884089 15.999 > 13 27 O 0.22606932570663 0.11928894828198 0.08322445115911 15.999 > 14 28 O 0.72606932570663 0.11928894828198 0.08322445115911 15.999 > 14 29 O 0.22606932570663 0.38071105171801 0.41677554884089 15.999 > 15 30 O 0.72606932570663 0.38071105171801 0.41677554884089 15.999 > 15 31 O 0.04729825888633 0.60315310035527 0.82759772615127 15.999 > 16 32 O 0.54729825888633 0.60315310035527 0.82759772615127 15.999 > 16 *33 Sr 0.12500000000000 0.00000000000000 0.88330363877131 87.620 > 17 34 Sr 0.62500000000000 0.00000000000000 0.88330363877131 87.620 > 17 35 Sr 0.12500000000000 0.50000000000000 0.61669636122869 87.620 > 18 36 Sr 0.62500000000000 0.50000000000000 0.61669636122869 87.620 > 18 37 Sr 0.37500000000000 0.00000000000000 0.11669636122869 87.620 > 19 38 Sr 0.87500000000000 0.00000000000000 0.11669636122869 87.620 > 19 39 Sr 0.37500000000000 0.50000000000000 0.38330363877131 87.620 > 20 40 Sr 0.87500000000000 0.50000000000000 0.38330363877131 87.620 > 20 *41 Ag 0.21066890839763 0.23899397917536 0.53844203829095 107.868 > 21 42 Ag 0.71066890839763 0.23899397917536 0.53844203829095 107.868 > 21 43 Ag 0.46066890839763 0.23899397917536 0.46155796170905 107.868 > 22 44 Ag 0.96066890839763 0.23899397917536 0.46155796170905 107.868 > 22 45 Ag 0.46066890839763 0.26100602082465 0.03844203829095 107.868 > 23 46 Ag 0.96066890839763 0.26100602082465 0.03844203829095 107.868 > 23 47 Ag 0.28933109160237 0.76100602082464 0.46155796170905 107.868 > 24 48 Ag 0.78933109160237 0.76100602082464 0.46155796170905 107.868 > 24 *49 Ag 0.20288756606590 0.75000000000000 0.75000000000000 107.868 > 25 50 Ag 0.70288756606590 0.75000000000000 0.75000000000000 107.868 > 25 51 Ag 0.04711243393410 0.25000000000000 0.75000000000000 107.868 > 26 52 Ag 0.54711243393410 0.25000000000000 0.75000000000000 107.868 > 26 53 Ag 0.29711243393410 0.25000000000000 0.25000000000000 107.868 > 27 54 Ag 0.79711243393410 0.25000000000000 0.25000000000000 107.868 > 27 55 Ag 0.45288756606590 0.75000000000000 0.25000000000000 107.868 > 28 56 Ag 0.95288756606590 0.75000000000000 0.25000000000000 107.868 > 28 57 Ag 0.21066890839763 0.26100602082465 0.96155796170905 107.868 > 29 58 Ag 0.71066890839763 0.26100602082465 0.96155796170905 107.868 > 29 59 Ag 0.03933109160237 0.76100602082464 0.53844203829095 107.868 > 30 60 Ag 0.53933109160237 0.76100602082464 0.53844203829095 107.868 > 30 61 Ag 0.03933109160237 0.73899397917536 0.96155796170905 107.868 > 31 62 Ag 0.53933109160237 0.73899397917536 0.96155796170905 107.868 > 31 *63 Ag 0.14531703233803 0.87742488765847 0.24032567656081 107.868 > 32 64 Ag 0.64531703233803 0.87742488765847 0.24032567656081 107.868 > 32 65 Ag 0.14531703233803 0.62257511234153 0.25967432343919 107.868 > 33 66 Ag 0.64531703233803 0.62257511234153 0.25967432343919 107.868 > 33 67 Ag 0.10468296766198 0.12257511234153 0.24032567656081 107.868 > 34 68 Ag 0.60468296766198 0.12257511234153 0.24032567656081 107.868 > 34 69 Ag 0.10468296766198 0.37742488765847 0.25967432343919 107.868 > 35 70 Ag 0.60468296766198 0.37742488765847 0.25967432343919 107.868 > 35 71 Ag 0.35468296766197 0.12257511234153 0.75967432343918 107.868 > 36 72 Ag 0.85468296766197 0.12257511234153 0.75967432343918 107.868 > 36 73 Ag 0.35468296766197 0.37742488765847 0.74032567656082 107.868 > 37 74 Ag 0.85468296766197 0.37742488765847 0.74032567656082 107.868 > 37 75 Ag 0.39531703233803 0.87742488765847 0.75967432343918 107.868 > 38 76 Ag 0.89531703233803 0.87742488765847 0.75967432343918 107.868 > 38 77 Ag 0.39531703233803 0.62257511234153 0.74032567656082 107.868 > 39 78 Ag 0.89531703233803 0.62257511234153 0.74032567656082 107.868 > 39 *79 Ag 0.25000000000000 0.00000000000000 0.50000000000000 107.868 > 40 80 Ag 0.75000000000000 0.00000000000000 0.50000000000000 107.868 > 40 81 Ag 0.25000000000000 0.50000000000000 0.00000000000000 107.868 > 41 82 Ag 0.75000000000000 0.50000000000000 0.00000000000000 107.868 > 41 83 Ag 0.00000000000000 0.00000000000000 0.50000000000000 107.868 > 42 84 Ag 0.50000000000000 0.00000000000000 0.50000000000000 107.868 > 42 85 Ag 0.00000000000000 0.50000000000000 0.00000000000000 107.868 > 43 86 Ag 0.50000000000000 0.50000000000000 0.00000000000000 107.868 > 43 87 Ag 0.28933109160237 0.73899397917536 0.03844203829095 107.868 > 44 88 Ag 0.78933109160237 0.73899397917536 0.03844203829095 107.868 > 44 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.9027105 0.0000000 0.0000000 0.0000000 7.9222127 0.0000000 0.0000000 0.0000000 8.0076220 -------------------------- Born effective charges -------------------------- 1 O -1.7268199 0.0343847 -0.1193388 0.0331836 -2.1192813 -0.1495867 0.1870960 0.1025799 -1.9933929 2 O -2.0856208 0.1682760 0.0985650 -0.0572209 -2.3192129 0.1823476 -0.3597776 0.2362634 -2.1886444 3 O -2.0856208 -0.1682760 -0.0985650 0.0572209 -2.3192129 0.1823476 0.3597776 0.2362634 -2.1886444 4 O -2.0856208 0.1682760 -0.0985650 -0.0572209 -2.3192129 -0.1823476 0.3597776 -0.2362634 -2.1886444 5 O -1.7268199 -0.0343847 0.1193388 -0.0331836 -2.1192813 -0.1495867 -0.1870960 0.1025799 -1.9933929 6 O -1.7268199 0.0343847 0.1193388 0.0331836 -2.1192813 0.1495867 -0.1870960 -0.1025799 -1.9933929 7 O -1.7268199 -0.0343847 -0.1193388 -0.0331836 -2.1192813 0.1495867 0.1870960 -0.1025799 -1.9933929 8 O -1.7268199 0.0343847 -0.1193388 0.0331836 -2.1192813 -0.1495867 0.1870960 0.1025799 -1.9933929 9 O -1.7268199 -0.0343847 0.1193388 -0.0331836 -2.1192813 -0.1495867 -0.1870960 0.1025799 -1.9933929 10 O -2.0856208 -0.1682760 0.0985650 0.0572209 -2.3192129 -0.1823476 -0.3597776 -0.2362634 -2.1886444 11 O -1.7268199 0.0343847 0.1193388 0.0331836 -2.1192813 0.1495867 -0.1870960 -0.1025799 -1.9933929 12 O -2.0856208 -0.1682760 0.0985650 0.0572209 -2.3192129 -0.1823476 -0.3597776 -0.2362634 -2.1886444 13 O -2.0856208 0.1682760 -0.0985650 -0.0572209 -2.3192129 -0.1823476 0.3597776 -0.2362634 -2.1886444 14 O -2.0856208 -0.1682760 -0.0985650 0.0572209 -2.3192129 0.1823476 0.3597776 0.2362634 -2.1886444 15 O -2.0856208 0.1682760 0.0985650 -0.0572209 -2.3192129 0.1823476 -0.3597776 0.2362634 -2.1886444 16 O -1.7268199 -0.0343847 -0.1193388 -0.0331836 -2.1192813 0.1495867 0.1870960 -0.1025799 -1.9933929 17 Sr 2.7109776 0.2790428 -0.0000000 -0.0652732 3.2704489 -0.0000000 0.0000000 -0.0000000 2.9730102 18 Sr 2.7109776 -0.2790428 -0.0000000 0.0652732 3.2704489 -0.0000000 0.0000000 -0.0000000 2.9730102 19 Sr 2.7109776 0.2790428 -0.0000000 -0.0652732 3.2704489 -0.0000000 0.0000000 -0.0000000 2.9730102 20 Sr 2.7109776 -0.2790428 -0.0000000 0.0652732 3.2704489 -0.0000000 0.0000000 -0.0000000 2.9730102 21 Ag 0.1563670 -0.1029094 0.2004735 0.1817475 1.3101909 -0.6971074 0.0285909 -0.7310713 0.7043465 22 Ag 0.1563670 -0.1029094 -0.2004735 0.1817475 1.3101909 0.6971074 -0.0285909 0.7310713 0.7043465 23 Ag 0.1563670 0.1029094 0.2004735 -0.1817475 1.3101909 0.6971074 0.0285909 0.7310713 0.7043465 24 Ag 0.1563670 -0.1029094 0.2004735 0.1817475 1.3101909 -0.6971074 0.0285909 -0.7310713 0.7043465 25 Ag 1.3996421 0.0000000 -0.0000000 0.0000000 1.1603879 0.1260073 0.0000000 0.0836355 1.1636037 26 Ag 1.3996421 0.0000000 -0.0000000 0.0000000 1.1603879 -0.1260073 0.0000000 -0.0836355 1.1636037 27 Ag 1.3996421 0.0000000 -0.0000000 0.0000000 1.1603879 0.1260073 0.0000000 0.0836355 1.1636037 28 Ag 1.3996421 0.0000000 -0.0000000 0.0000000 1.1603879 -0.1260073 0.0000000 -0.0836355 1.1636037 29 Ag 0.1563670 0.1029094 -0.2004735 -0.1817475 1.3101909 -0.6971074 -0.0285909 -0.7310713 0.7043465 30 Ag 0.1563670 -0.1029094 -0.2004735 0.1817475 1.3101909 0.6971074 -0.0285909 0.7310713 0.7043465 31 Ag 0.1563670 0.1029094 0.2004735 -0.1817475 1.3101909 0.6971074 0.0285909 0.7310713 0.7043465 32 Ag 1.3730036 0.1382568 0.4864987 0.1317778 0.4446846 0.2543623 0.7049695 0.0789563 0.9986203 33 Ag 1.3730036 -0.1382568 -0.4864987 -0.1317778 0.4446846 0.2543623 -0.7049695 0.0789563 0.9986203 34 Ag 1.3730036 0.1382568 -0.4864987 0.1317778 0.4446846 -0.2543623 -0.7049695 -0.0789563 0.9986203 35 Ag 1.3730036 -0.1382568 0.4864987 -0.1317778 0.4446846 -0.2543623 0.7049695 -0.0789563 0.9986203 36 Ag 1.3730036 0.1382568 0.4864987 0.1317778 0.4446846 0.2543623 0.7049695 0.0789563 0.9986203 37 Ag 1.3730036 -0.1382568 -0.4864987 -0.1317778 0.4446846 0.2543623 -0.7049695 0.0789563 0.9986203 38 Ag 1.3730036 0.1382568 -0.4864987 0.1317778 0.4446846 -0.2543623 -0.7049695 -0.0789563 0.9986203 39 Ag 1.3730036 -0.1382568 0.4864987 -0.1317778 0.4446846 -0.2543623 0.7049695 -0.0789563 0.9986203 40 Ag 0.4555204 0.0034112 -0.2973623 -0.2370844 0.9364004 1.0363692 -0.3905785 0.6174478 0.8215269 41 Ag 0.4555204 -0.0034112 0.2973623 0.2370844 0.9364004 1.0363692 0.3905785 0.6174478 0.8215269 42 Ag 0.4555204 0.0034112 0.2973623 -0.2370844 0.9364004 -1.0363692 0.3905785 -0.6174478 0.8215269 43 Ag 0.4555204 -0.0034112 -0.2973623 0.2370844 0.9364004 -1.0363692 -0.3905785 -0.6174478 0.8215269 44 Ag 0.1563670 0.1029094 -0.2004735 -0.1817475 1.3101909 -0.6971074 -0.0285909 -0.7310713 0.7043465 ---------------------------------------------------------------------------- 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: 264/264 Permutation basis: 17556/17556 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2289 Number of blocks in projector: 2289 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: 488 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 484 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 279 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 279 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 279 Use standard eigh solver. Tree of FC basis block matrices: - (2289, 2234), data: False |-- (279, 272), data: True |-- (279, 272), data: True |-- (279, 272), data: True |-- (480, 470), data: True |-- (484, 472), data: True |-- (488, 476), data: True ----- Solver_atoms: 1 -- 88 / 88 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 720 - Time: 0.638 Solver_block: 200 / 720 - Time: 0.526 Solver_block: 300 / 720 - Time: 0.530 Solver_block: 400 / 720 - Time: 0.616 Solver_block: 500 / 720 - Time: 0.575 Solver_block: 600 / 720 - Time: 0.525 Solver_block: 700 / 720 - Time: 0.482 Solver_block: 720 / 720 - Time: 0.231 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.422 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 264/264 Permutation basis: 17556/17556 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2289 Number of blocks in projector: 2289 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: 488 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 484 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 279 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 279 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 279 Use standard eigh solver. Tree of FC basis block matrices: - (2289, 2234), data: False |-- (279, 272), data: True |-- (279, 272), data: True |-- (279, 272), data: True |-- (480, 470), data: True |-- (484, 472), data: True |-- (488, 476), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 06:16:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:16:41]------------------------- 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: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnna (52) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.427185270000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.318651910000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.854745440000000 Atomic positions (fractional): 1 O 0.59459651777265 0.89684689964473 0.32759772615126 15.999 2 O 0.54786134858674 0.61928894828199 0.58322445115911 15.999 3 O 0.54786134858674 0.88071105171801 0.91677554884089 15.999 4 O 0.95213865141326 0.38071105171801 0.58322445115911 15.999 5 O 0.59459651777265 0.60315310035527 0.17240227384873 15.999 6 O 0.90540348222735 0.10315310035527 0.32759772615126 15.999 7 O 0.90540348222735 0.39684689964473 0.17240227384873 15.999 8 O 0.40540348222735 0.10315310035527 0.67240227384873 15.999 9 O 0.40540348222735 0.39684689964473 0.82759772615127 15.999 10 O 0.95213865141326 0.11928894828198 0.91677554884089 15.999 11 O 0.09459651777265 0.89684689964473 0.67240227384873 15.999 12 O 0.04786134858674 0.88071105171801 0.08322445115911 15.999 13 O 0.04786134858674 0.61928894828199 0.41677554884089 15.999 14 O 0.45213865141326 0.11928894828198 0.08322445115911 15.999 15 O 0.45213865141326 0.38071105171801 0.41677554884089 15.999 16 O 0.09459651777265 0.60315310035527 0.82759772615127 15.999 17 Sr 0.25000000000000 0.00000000000000 0.88330363877131 87.620 18 Sr 0.25000000000000 0.50000000000000 0.61669636122869 87.620 19 Sr 0.75000000000000 0.00000000000000 0.11669636122869 87.620 20 Sr 0.75000000000000 0.50000000000000 0.38330363877131 87.620 21 Ag 0.42133781679525 0.23899397917536 0.53844203829095 107.868 22 Ag 0.92133781679525 0.23899397917536 0.46155796170905 107.868 23 Ag 0.92133781679525 0.26100602082465 0.03844203829095 107.868 24 Ag 0.57866218320475 0.76100602082464 0.46155796170905 107.868 25 Ag 0.40577513213180 0.75000000000000 0.75000000000000 107.868 26 Ag 0.09422486786820 0.25000000000000 0.75000000000000 107.868 27 Ag 0.59422486786820 0.25000000000000 0.25000000000000 107.868 28 Ag 0.90577513213180 0.75000000000000 0.25000000000000 107.868 29 Ag 0.42133781679525 0.26100602082465 0.96155796170905 107.868 30 Ag 0.07866218320475 0.76100602082464 0.53844203829095 107.868 31 Ag 0.07866218320475 0.73899397917536 0.96155796170905 107.868 32 Ag 0.29063406467605 0.87742488765847 0.24032567656081 107.868 33 Ag 0.29063406467605 0.62257511234153 0.25967432343919 107.868 34 Ag 0.20936593532395 0.12257511234153 0.24032567656081 107.868 35 Ag 0.20936593532395 0.37742488765847 0.25967432343919 107.868 36 Ag 0.70936593532395 0.12257511234153 0.75967432343918 107.868 37 Ag 0.70936593532395 0.37742488765847 0.74032567656082 107.868 38 Ag 0.79063406467605 0.87742488765847 0.75967432343918 107.868 39 Ag 0.79063406467605 0.62257511234153 0.74032567656082 107.868 40 Ag 0.50000000000000 0.00000000000000 0.50000000000000 107.868 41 Ag 0.50000000000000 0.50000000000000 0.00000000000000 107.868 42 Ag 0.00000000000000 0.00000000000000 0.50000000000000 107.868 43 Ag 0.00000000000000 0.50000000000000 0.00000000000000 107.868 44 Ag 0.57866218320475 0.73899397917536 0.03844203829095 107.868 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.854370540000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.318651910000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.854745440000000 Atomic positions (fractional): 1 O 0.29729825888633 0.89684689964473 0.32759772615126 15.999 > 1 2 O 0.79729825888633 0.89684689964473 0.32759772615126 15.999 > 1 3 O 0.27393067429337 0.61928894828199 0.58322445115911 15.999 > 3 4 O 0.77393067429337 0.61928894828199 0.58322445115911 15.999 > 3 5 O 0.27393067429337 0.88071105171801 0.91677554884089 15.999 > 5 6 O 0.77393067429337 0.88071105171801 0.91677554884089 15.999 > 5 7 O 0.47606932570663 0.38071105171801 0.58322445115911 15.999 > 7 8 O 0.97606932570663 0.38071105171801 0.58322445115911 15.999 > 7 9 O 0.29729825888633 0.60315310035527 0.17240227384873 15.999 > 9 10 O 0.79729825888633 0.60315310035527 0.17240227384873 15.999 > 9 11 O 0.45270174111367 0.10315310035527 0.32759772615126 15.999 > 11 12 O 0.95270174111367 0.10315310035527 0.32759772615126 15.999 > 11 13 O 0.45270174111367 0.39684689964473 0.17240227384873 15.999 > 13 14 O 0.95270174111367 0.39684689964473 0.17240227384873 15.999 > 13 15 O 0.20270174111367 0.10315310035527 0.67240227384873 15.999 > 15 16 O 0.70270174111367 0.10315310035527 0.67240227384873 15.999 > 15 17 O 0.20270174111367 0.39684689964473 0.82759772615127 15.999 > 17 18 O 0.70270174111367 0.39684689964473 0.82759772615127 15.999 > 17 19 O 0.47606932570663 0.11928894828198 0.91677554884089 15.999 > 19 20 O 0.97606932570663 0.11928894828198 0.91677554884089 15.999 > 19 21 O 0.04729825888633 0.89684689964473 0.67240227384873 15.999 > 21 22 O 0.54729825888633 0.89684689964473 0.67240227384873 15.999 > 21 23 O 0.02393067429337 0.88071105171801 0.08322445115911 15.999 > 23 24 O 0.52393067429337 0.88071105171801 0.08322445115911 15.999 > 23 25 O 0.02393067429337 0.61928894828199 0.41677554884089 15.999 > 25 26 O 0.52393067429337 0.61928894828199 0.41677554884089 15.999 > 25 27 O 0.22606932570663 0.11928894828198 0.08322445115911 15.999 > 27 28 O 0.72606932570663 0.11928894828198 0.08322445115911 15.999 > 27 29 O 0.22606932570663 0.38071105171801 0.41677554884089 15.999 > 29 30 O 0.72606932570663 0.38071105171801 0.41677554884089 15.999 > 29 31 O 0.04729825888633 0.60315310035527 0.82759772615127 15.999 > 31 32 O 0.54729825888633 0.60315310035527 0.82759772615127 15.999 > 31 33 Sr 0.12500000000000 0.00000000000000 0.88330363877131 87.620 > 33 34 Sr 0.62500000000000 0.00000000000000 0.88330363877131 87.620 > 33 35 Sr 0.12500000000000 0.50000000000000 0.61669636122869 87.620 > 35 36 Sr 0.62500000000000 0.50000000000000 0.61669636122869 87.620 > 35 37 Sr 0.37500000000000 0.00000000000000 0.11669636122869 87.620 > 37 38 Sr 0.87500000000000 0.00000000000000 0.11669636122869 87.620 > 37 39 Sr 0.37500000000000 0.50000000000000 0.38330363877131 87.620 > 39 40 Sr 0.87500000000000 0.50000000000000 0.38330363877131 87.620 > 39 41 Ag 0.21066890839763 0.23899397917536 0.53844203829095 107.868 > 41 42 Ag 0.71066890839763 0.23899397917536 0.53844203829095 107.868 > 41 43 Ag 0.46066890839763 0.23899397917536 0.46155796170905 107.868 > 43 44 Ag 0.96066890839763 0.23899397917536 0.46155796170905 107.868 > 43 45 Ag 0.46066890839763 0.26100602082465 0.03844203829095 107.868 > 45 46 Ag 0.96066890839763 0.26100602082465 0.03844203829095 107.868 > 45 47 Ag 0.28933109160237 0.76100602082464 0.46155796170905 107.868 > 47 48 Ag 0.78933109160237 0.76100602082464 0.46155796170905 107.868 > 47 49 Ag 0.20288756606590 0.75000000000000 0.75000000000000 107.868 > 49 50 Ag 0.70288756606590 0.75000000000000 0.75000000000000 107.868 > 49 51 Ag 0.04711243393410 0.25000000000000 0.75000000000000 107.868 > 51 52 Ag 0.54711243393410 0.25000000000000 0.75000000000000 107.868 > 51 53 Ag 0.29711243393410 0.25000000000000 0.25000000000000 107.868 > 53 54 Ag 0.79711243393410 0.25000000000000 0.25000000000000 107.868 > 53 55 Ag 0.45288756606590 0.75000000000000 0.25000000000000 107.868 > 55 56 Ag 0.95288756606590 0.75000000000000 0.25000000000000 107.868 > 55 57 Ag 0.21066890839763 0.26100602082465 0.96155796170905 107.868 > 57 58 Ag 0.71066890839763 0.26100602082465 0.96155796170905 107.868 > 57 59 Ag 0.03933109160237 0.76100602082464 0.53844203829095 107.868 > 59 60 Ag 0.53933109160237 0.76100602082464 0.53844203829095 107.868 > 59 61 Ag 0.03933109160237 0.73899397917536 0.96155796170905 107.868 > 61 62 Ag 0.53933109160237 0.73899397917536 0.96155796170905 107.868 > 61 63 Ag 0.14531703233803 0.87742488765847 0.24032567656081 107.868 > 63 64 Ag 0.64531703233803 0.87742488765847 0.24032567656081 107.868 > 63 65 Ag 0.14531703233803 0.62257511234153 0.25967432343919 107.868 > 65 66 Ag 0.64531703233803 0.62257511234153 0.25967432343919 107.868 > 65 67 Ag 0.10468296766198 0.12257511234153 0.24032567656081 107.868 > 67 68 Ag 0.60468296766198 0.12257511234153 0.24032567656081 107.868 > 67 69 Ag 0.10468296766198 0.37742488765847 0.25967432343919 107.868 > 69 70 Ag 0.60468296766198 0.37742488765847 0.25967432343919 107.868 > 69 71 Ag 0.35468296766197 0.12257511234153 0.75967432343918 107.868 > 71 72 Ag 0.85468296766197 0.12257511234153 0.75967432343918 107.868 > 71 73 Ag 0.35468296766197 0.37742488765847 0.74032567656082 107.868 > 73 74 Ag 0.85468296766197 0.37742488765847 0.74032567656082 107.868 > 73 75 Ag 0.39531703233803 0.87742488765847 0.75967432343918 107.868 > 75 76 Ag 0.89531703233803 0.87742488765847 0.75967432343918 107.868 > 75 77 Ag 0.39531703233803 0.62257511234153 0.74032567656082 107.868 > 77 78 Ag 0.89531703233803 0.62257511234153 0.74032567656082 107.868 > 77 79 Ag 0.25000000000000 0.00000000000000 0.50000000000000 107.868 > 79 80 Ag 0.75000000000000 0.00000000000000 0.50000000000000 107.868 > 79 81 Ag 0.25000000000000 0.50000000000000 0.00000000000000 107.868 > 81 82 Ag 0.75000000000000 0.50000000000000 0.00000000000000 107.868 > 81 83 Ag 0.00000000000000 0.00000000000000 0.50000000000000 107.868 > 83 84 Ag 0.50000000000000 0.00000000000000 0.50000000000000 107.868 > 83 85 Ag 0.00000000000000 0.50000000000000 0.00000000000000 107.868 > 85 86 Ag 0.50000000000000 0.50000000000000 0.00000000000000 107.868 > 85 87 Ag 0.28933109160237 0.73899397917536 0.03844203829095 107.868 > 87 88 Ag 0.78933109160237 0.73899397917536 0.03844203829095 107.868 > 87 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.9027105 0.0000000 0.0000000 0.0000000 7.9222127 0.0000000 0.0000000 0.0000000 8.0076220 -------------------------- Born effective charges -------------------------- 1 O -1.7268199 0.0343847 -0.1193388 0.0331836 -2.1192813 -0.1495867 0.1870960 0.1025799 -1.9933929 2 O -2.0856208 0.1682760 0.0985650 -0.0572209 -2.3192129 0.1823476 -0.3597776 0.2362634 -2.1886444 3 O -2.0856208 -0.1682760 -0.0985650 0.0572209 -2.3192129 0.1823476 0.3597776 0.2362634 -2.1886444 4 O -2.0856208 0.1682760 -0.0985650 -0.0572209 -2.3192129 -0.1823476 0.3597776 -0.2362634 -2.1886444 5 O -1.7268199 -0.0343847 0.1193388 -0.0331836 -2.1192813 -0.1495867 -0.1870960 0.1025799 -1.9933929 6 O -1.7268199 0.0343847 0.1193388 0.0331836 -2.1192813 0.1495867 -0.1870960 -0.1025799 -1.9933929 7 O -1.7268199 -0.0343847 -0.1193388 -0.0331836 -2.1192813 0.1495867 0.1870960 -0.1025799 -1.9933929 8 O -1.7268199 0.0343847 -0.1193388 0.0331836 -2.1192813 -0.1495867 0.1870960 0.1025799 -1.9933929 9 O -1.7268199 -0.0343847 0.1193388 -0.0331836 -2.1192813 -0.1495867 -0.1870960 0.1025799 -1.9933929 10 O -2.0856208 -0.1682760 0.0985650 0.0572209 -2.3192129 -0.1823476 -0.3597776 -0.2362634 -2.1886444 11 O -1.7268199 0.0343847 0.1193388 0.0331836 -2.1192813 0.1495867 -0.1870960 -0.1025799 -1.9933929 12 O -2.0856208 -0.1682760 0.0985650 0.0572209 -2.3192129 -0.1823476 -0.3597776 -0.2362634 -2.1886444 13 O -2.0856208 0.1682760 -0.0985650 -0.0572209 -2.3192129 -0.1823476 0.3597776 -0.2362634 -2.1886444 14 O -2.0856208 -0.1682760 -0.0985650 0.0572209 -2.3192129 0.1823476 0.3597776 0.2362634 -2.1886444 15 O -2.0856208 0.1682760 0.0985650 -0.0572209 -2.3192129 0.1823476 -0.3597776 0.2362634 -2.1886444 16 O -1.7268199 -0.0343847 -0.1193388 -0.0331836 -2.1192813 0.1495867 0.1870960 -0.1025799 -1.9933929 17 Sr 2.7109776 0.2790428 -0.0000000 -0.0652732 3.2704489 -0.0000000 0.0000000 -0.0000000 2.9730102 18 Sr 2.7109776 -0.2790428 -0.0000000 0.0652732 3.2704489 -0.0000000 0.0000000 -0.0000000 2.9730102 19 Sr 2.7109776 0.2790428 -0.0000000 -0.0652732 3.2704489 -0.0000000 0.0000000 -0.0000000 2.9730102 20 Sr 2.7109776 -0.2790428 -0.0000000 0.0652732 3.2704489 -0.0000000 0.0000000 -0.0000000 2.9730102 21 Ag 0.1563670 -0.1029094 0.2004735 0.1817475 1.3101909 -0.6971074 0.0285909 -0.7310713 0.7043465 22 Ag 0.1563670 -0.1029094 -0.2004735 0.1817475 1.3101909 0.6971074 -0.0285909 0.7310713 0.7043465 23 Ag 0.1563670 0.1029094 0.2004735 -0.1817475 1.3101909 0.6971074 0.0285909 0.7310713 0.7043465 24 Ag 0.1563670 -0.1029094 0.2004735 0.1817475 1.3101909 -0.6971074 0.0285909 -0.7310713 0.7043465 25 Ag 1.3996421 0.0000000 -0.0000000 0.0000000 1.1603879 0.1260073 0.0000000 0.0836355 1.1636037 26 Ag 1.3996421 0.0000000 -0.0000000 0.0000000 1.1603879 -0.1260073 0.0000000 -0.0836355 1.1636037 27 Ag 1.3996421 0.0000000 -0.0000000 0.0000000 1.1603879 0.1260073 0.0000000 0.0836355 1.1636037 28 Ag 1.3996421 0.0000000 -0.0000000 0.0000000 1.1603879 -0.1260073 0.0000000 -0.0836355 1.1636037 29 Ag 0.1563670 0.1029094 -0.2004735 -0.1817475 1.3101909 -0.6971074 -0.0285909 -0.7310713 0.7043465 30 Ag 0.1563670 -0.1029094 -0.2004735 0.1817475 1.3101909 0.6971074 -0.0285909 0.7310713 0.7043465 31 Ag 0.1563670 0.1029094 0.2004735 -0.1817475 1.3101909 0.6971074 0.0285909 0.7310713 0.7043465 32 Ag 1.3730036 0.1382568 0.4864987 0.1317778 0.4446846 0.2543623 0.7049695 0.0789563 0.9986203 33 Ag 1.3730036 -0.1382568 -0.4864987 -0.1317778 0.4446846 0.2543623 -0.7049695 0.0789563 0.9986203 34 Ag 1.3730036 0.1382568 -0.4864987 0.1317778 0.4446846 -0.2543623 -0.7049695 -0.0789563 0.9986203 35 Ag 1.3730036 -0.1382568 0.4864987 -0.1317778 0.4446846 -0.2543623 0.7049695 -0.0789563 0.9986203 36 Ag 1.3730036 0.1382568 0.4864987 0.1317778 0.4446846 0.2543623 0.7049695 0.0789563 0.9986203 37 Ag 1.3730036 -0.1382568 -0.4864987 -0.1317778 0.4446846 0.2543623 -0.7049695 0.0789563 0.9986203 38 Ag 1.3730036 0.1382568 -0.4864987 0.1317778 0.4446846 -0.2543623 -0.7049695 -0.0789563 0.9986203 39 Ag 1.3730036 -0.1382568 0.4864987 -0.1317778 0.4446846 -0.2543623 0.7049695 -0.0789563 0.9986203 40 Ag 0.4555204 0.0034112 -0.2973623 -0.2370844 0.9364004 1.0363692 -0.3905785 0.6174478 0.8215269 41 Ag 0.4555204 -0.0034112 0.2973623 0.2370844 0.9364004 1.0363692 0.3905785 0.6174478 0.8215269 42 Ag 0.4555204 0.0034112 0.2973623 -0.2370844 0.9364004 -1.0363692 0.3905785 -0.6174478 0.8215269 43 Ag 0.4555204 -0.0034112 -0.2973623 0.2370844 0.9364004 -1.0363692 -0.3905785 -0.6174478 0.8215269 44 Ag 0.1563670 0.1029094 -0.2004735 -0.1817475 1.3101909 -0.6971074 -0.0285909 -0.7310713 0.7043465 ---------------------------------------------------------------------------- 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[ 3, 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[ 33, 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[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 63, 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[ 79, 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 (xy) -0.00000000 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:17:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:17:08]------------------------- 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: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnna (52) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.427185270000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.318651910000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.854745440000000 Atomic positions (fractional): 1 O 0.59459651777265 0.89684689964473 0.32759772615126 15.999 2 O 0.54786134858674 0.61928894828199 0.58322445115911 15.999 3 O 0.54786134858674 0.88071105171801 0.91677554884089 15.999 4 O 0.95213865141326 0.38071105171801 0.58322445115911 15.999 5 O 0.59459651777265 0.60315310035527 0.17240227384873 15.999 6 O 0.90540348222735 0.10315310035527 0.32759772615126 15.999 7 O 0.90540348222735 0.39684689964473 0.17240227384873 15.999 8 O 0.40540348222735 0.10315310035527 0.67240227384873 15.999 9 O 0.40540348222735 0.39684689964473 0.82759772615127 15.999 10 O 0.95213865141326 0.11928894828198 0.91677554884089 15.999 11 O 0.09459651777265 0.89684689964473 0.67240227384873 15.999 12 O 0.04786134858674 0.88071105171801 0.08322445115911 15.999 13 O 0.04786134858674 0.61928894828199 0.41677554884089 15.999 14 O 0.45213865141326 0.11928894828198 0.08322445115911 15.999 15 O 0.45213865141326 0.38071105171801 0.41677554884089 15.999 16 O 0.09459651777265 0.60315310035527 0.82759772615127 15.999 17 Sr 0.25000000000000 0.00000000000000 0.88330363877131 87.620 18 Sr 0.25000000000000 0.50000000000000 0.61669636122869 87.620 19 Sr 0.75000000000000 0.00000000000000 0.11669636122869 87.620 20 Sr 0.75000000000000 0.50000000000000 0.38330363877131 87.620 21 Ag 0.42133781679525 0.23899397917536 0.53844203829095 107.868 22 Ag 0.92133781679525 0.23899397917536 0.46155796170905 107.868 23 Ag 0.92133781679525 0.26100602082465 0.03844203829095 107.868 24 Ag 0.57866218320475 0.76100602082464 0.46155796170905 107.868 25 Ag 0.40577513213180 0.75000000000000 0.75000000000000 107.868 26 Ag 0.09422486786820 0.25000000000000 0.75000000000000 107.868 27 Ag 0.59422486786820 0.25000000000000 0.25000000000000 107.868 28 Ag 0.90577513213180 0.75000000000000 0.25000000000000 107.868 29 Ag 0.42133781679525 0.26100602082465 0.96155796170905 107.868 30 Ag 0.07866218320475 0.76100602082464 0.53844203829095 107.868 31 Ag 0.07866218320475 0.73899397917536 0.96155796170905 107.868 32 Ag 0.29063406467605 0.87742488765847 0.24032567656081 107.868 33 Ag 0.29063406467605 0.62257511234153 0.25967432343919 107.868 34 Ag 0.20936593532395 0.12257511234153 0.24032567656081 107.868 35 Ag 0.20936593532395 0.37742488765847 0.25967432343919 107.868 36 Ag 0.70936593532395 0.12257511234153 0.75967432343918 107.868 37 Ag 0.70936593532395 0.37742488765847 0.74032567656082 107.868 38 Ag 0.79063406467605 0.87742488765847 0.75967432343918 107.868 39 Ag 0.79063406467605 0.62257511234153 0.74032567656082 107.868 40 Ag 0.50000000000000 0.00000000000000 0.50000000000000 107.868 41 Ag 0.50000000000000 0.50000000000000 0.00000000000000 107.868 42 Ag 0.00000000000000 0.00000000000000 0.50000000000000 107.868 43 Ag 0.00000000000000 0.50000000000000 0.00000000000000 107.868 44 Ag 0.57866218320475 0.73899397917536 0.03844203829095 107.868 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.854370540000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.318651910000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.854745440000000 Atomic positions (fractional): 1 O 0.29729825888633 0.89684689964473 0.32759772615126 15.999 > 1 2 O 0.79729825888633 0.89684689964473 0.32759772615126 15.999 > 1 3 O 0.27393067429337 0.61928894828199 0.58322445115911 15.999 > 3 4 O 0.77393067429337 0.61928894828199 0.58322445115911 15.999 > 3 5 O 0.27393067429337 0.88071105171801 0.91677554884089 15.999 > 5 6 O 0.77393067429337 0.88071105171801 0.91677554884089 15.999 > 5 7 O 0.47606932570663 0.38071105171801 0.58322445115911 15.999 > 7 8 O 0.97606932570663 0.38071105171801 0.58322445115911 15.999 > 7 9 O 0.29729825888633 0.60315310035527 0.17240227384873 15.999 > 9 10 O 0.79729825888633 0.60315310035527 0.17240227384873 15.999 > 9 11 O 0.45270174111367 0.10315310035527 0.32759772615126 15.999 > 11 12 O 0.95270174111367 0.10315310035527 0.32759772615126 15.999 > 11 13 O 0.45270174111367 0.39684689964473 0.17240227384873 15.999 > 13 14 O 0.95270174111367 0.39684689964473 0.17240227384873 15.999 > 13 15 O 0.20270174111367 0.10315310035527 0.67240227384873 15.999 > 15 16 O 0.70270174111367 0.10315310035527 0.67240227384873 15.999 > 15 17 O 0.20270174111367 0.39684689964473 0.82759772615127 15.999 > 17 18 O 0.70270174111367 0.39684689964473 0.82759772615127 15.999 > 17 19 O 0.47606932570663 0.11928894828198 0.91677554884089 15.999 > 19 20 O 0.97606932570663 0.11928894828198 0.91677554884089 15.999 > 19 21 O 0.04729825888633 0.89684689964473 0.67240227384873 15.999 > 21 22 O 0.54729825888633 0.89684689964473 0.67240227384873 15.999 > 21 23 O 0.02393067429337 0.88071105171801 0.08322445115911 15.999 > 23 24 O 0.52393067429337 0.88071105171801 0.08322445115911 15.999 > 23 25 O 0.02393067429337 0.61928894828199 0.41677554884089 15.999 > 25 26 O 0.52393067429337 0.61928894828199 0.41677554884089 15.999 > 25 27 O 0.22606932570663 0.11928894828198 0.08322445115911 15.999 > 27 28 O 0.72606932570663 0.11928894828198 0.08322445115911 15.999 > 27 29 O 0.22606932570663 0.38071105171801 0.41677554884089 15.999 > 29 30 O 0.72606932570663 0.38071105171801 0.41677554884089 15.999 > 29 31 O 0.04729825888633 0.60315310035527 0.82759772615127 15.999 > 31 32 O 0.54729825888633 0.60315310035527 0.82759772615127 15.999 > 31 33 Sr 0.12500000000000 0.00000000000000 0.88330363877131 87.620 > 33 34 Sr 0.62500000000000 0.00000000000000 0.88330363877131 87.620 > 33 35 Sr 0.12500000000000 0.50000000000000 0.61669636122869 87.620 > 35 36 Sr 0.62500000000000 0.50000000000000 0.61669636122869 87.620 > 35 37 Sr 0.37500000000000 0.00000000000000 0.11669636122869 87.620 > 37 38 Sr 0.87500000000000 0.00000000000000 0.11669636122869 87.620 > 37 39 Sr 0.37500000000000 0.50000000000000 0.38330363877131 87.620 > 39 40 Sr 0.87500000000000 0.50000000000000 0.38330363877131 87.620 > 39 41 Ag 0.21066890839763 0.23899397917536 0.53844203829095 107.868 > 41 42 Ag 0.71066890839763 0.23899397917536 0.53844203829095 107.868 > 41 43 Ag 0.46066890839763 0.23899397917536 0.46155796170905 107.868 > 43 44 Ag 0.96066890839763 0.23899397917536 0.46155796170905 107.868 > 43 45 Ag 0.46066890839763 0.26100602082465 0.03844203829095 107.868 > 45 46 Ag 0.96066890839763 0.26100602082465 0.03844203829095 107.868 > 45 47 Ag 0.28933109160237 0.76100602082464 0.46155796170905 107.868 > 47 48 Ag 0.78933109160237 0.76100602082464 0.46155796170905 107.868 > 47 49 Ag 0.20288756606590 0.75000000000000 0.75000000000000 107.868 > 49 50 Ag 0.70288756606590 0.75000000000000 0.75000000000000 107.868 > 49 51 Ag 0.04711243393410 0.25000000000000 0.75000000000000 107.868 > 51 52 Ag 0.54711243393410 0.25000000000000 0.75000000000000 107.868 > 51 53 Ag 0.29711243393410 0.25000000000000 0.25000000000000 107.868 > 53 54 Ag 0.79711243393410 0.25000000000000 0.25000000000000 107.868 > 53 55 Ag 0.45288756606590 0.75000000000000 0.25000000000000 107.868 > 55 56 Ag 0.95288756606590 0.75000000000000 0.25000000000000 107.868 > 55 57 Ag 0.21066890839763 0.26100602082465 0.96155796170905 107.868 > 57 58 Ag 0.71066890839763 0.26100602082465 0.96155796170905 107.868 > 57 59 Ag 0.03933109160237 0.76100602082464 0.53844203829095 107.868 > 59 60 Ag 0.53933109160237 0.76100602082464 0.53844203829095 107.868 > 59 61 Ag 0.03933109160237 0.73899397917536 0.96155796170905 107.868 > 61 62 Ag 0.53933109160237 0.73899397917536 0.96155796170905 107.868 > 61 63 Ag 0.14531703233803 0.87742488765847 0.24032567656081 107.868 > 63 64 Ag 0.64531703233803 0.87742488765847 0.24032567656081 107.868 > 63 65 Ag 0.14531703233803 0.62257511234153 0.25967432343919 107.868 > 65 66 Ag 0.64531703233803 0.62257511234153 0.25967432343919 107.868 > 65 67 Ag 0.10468296766198 0.12257511234153 0.24032567656081 107.868 > 67 68 Ag 0.60468296766198 0.12257511234153 0.24032567656081 107.868 > 67 69 Ag 0.10468296766198 0.37742488765847 0.25967432343919 107.868 > 69 70 Ag 0.60468296766198 0.37742488765847 0.25967432343919 107.868 > 69 71 Ag 0.35468296766197 0.12257511234153 0.75967432343918 107.868 > 71 72 Ag 0.85468296766197 0.12257511234153 0.75967432343918 107.868 > 71 73 Ag 0.35468296766197 0.37742488765847 0.74032567656082 107.868 > 73 74 Ag 0.85468296766197 0.37742488765847 0.74032567656082 107.868 > 73 75 Ag 0.39531703233803 0.87742488765847 0.75967432343918 107.868 > 75 76 Ag 0.89531703233803 0.87742488765847 0.75967432343918 107.868 > 75 77 Ag 0.39531703233803 0.62257511234153 0.74032567656082 107.868 > 77 78 Ag 0.89531703233803 0.62257511234153 0.74032567656082 107.868 > 77 79 Ag 0.25000000000000 0.00000000000000 0.50000000000000 107.868 > 79 80 Ag 0.75000000000000 0.00000000000000 0.50000000000000 107.868 > 79 81 Ag 0.25000000000000 0.50000000000000 0.00000000000000 107.868 > 81 82 Ag 0.75000000000000 0.50000000000000 0.00000000000000 107.868 > 81 83 Ag 0.00000000000000 0.00000000000000 0.50000000000000 107.868 > 83 84 Ag 0.50000000000000 0.00000000000000 0.50000000000000 107.868 > 83 85 Ag 0.00000000000000 0.50000000000000 0.00000000000000 107.868 > 85 86 Ag 0.50000000000000 0.50000000000000 0.00000000000000 107.868 > 85 87 Ag 0.28933109160237 0.73899397917536 0.03844203829095 107.868 > 87 88 Ag 0.78933109160237 0.73899397917536 0.03844203829095 107.868 > 87 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 7.9027105 0.0000000 0.0000000 0.0000000 7.9222127 0.0000000 0.0000000 0.0000000 8.0076220 -------------------------- Born effective charges -------------------------- 1 O -1.7268199 0.0343847 -0.1193388 0.0331836 -2.1192813 -0.1495867 0.1870960 0.1025799 -1.9933929 2 O -2.0856208 0.1682760 0.0985650 -0.0572209 -2.3192129 0.1823476 -0.3597776 0.2362634 -2.1886444 3 O -2.0856208 -0.1682760 -0.0985650 0.0572209 -2.3192129 0.1823476 0.3597776 0.2362634 -2.1886444 4 O -2.0856208 0.1682760 -0.0985650 -0.0572209 -2.3192129 -0.1823476 0.3597776 -0.2362634 -2.1886444 5 O -1.7268199 -0.0343847 0.1193388 -0.0331836 -2.1192813 -0.1495867 -0.1870960 0.1025799 -1.9933929 6 O -1.7268199 0.0343847 0.1193388 0.0331836 -2.1192813 0.1495867 -0.1870960 -0.1025799 -1.9933929 7 O -1.7268199 -0.0343847 -0.1193388 -0.0331836 -2.1192813 0.1495867 0.1870960 -0.1025799 -1.9933929 8 O -1.7268199 0.0343847 -0.1193388 0.0331836 -2.1192813 -0.1495867 0.1870960 0.1025799 -1.9933929 9 O -1.7268199 -0.0343847 0.1193388 -0.0331836 -2.1192813 -0.1495867 -0.1870960 0.1025799 -1.9933929 10 O -2.0856208 -0.1682760 0.0985650 0.0572209 -2.3192129 -0.1823476 -0.3597776 -0.2362634 -2.1886444 11 O -1.7268199 0.0343847 0.1193388 0.0331836 -2.1192813 0.1495867 -0.1870960 -0.1025799 -1.9933929 12 O -2.0856208 -0.1682760 0.0985650 0.0572209 -2.3192129 -0.1823476 -0.3597776 -0.2362634 -2.1886444 13 O -2.0856208 0.1682760 -0.0985650 -0.0572209 -2.3192129 -0.1823476 0.3597776 -0.2362634 -2.1886444 14 O -2.0856208 -0.1682760 -0.0985650 0.0572209 -2.3192129 0.1823476 0.3597776 0.2362634 -2.1886444 15 O -2.0856208 0.1682760 0.0985650 -0.0572209 -2.3192129 0.1823476 -0.3597776 0.2362634 -2.1886444 16 O -1.7268199 -0.0343847 -0.1193388 -0.0331836 -2.1192813 0.1495867 0.1870960 -0.1025799 -1.9933929 17 Sr 2.7109776 0.2790428 -0.0000000 -0.0652732 3.2704489 -0.0000000 0.0000000 -0.0000000 2.9730102 18 Sr 2.7109776 -0.2790428 -0.0000000 0.0652732 3.2704489 -0.0000000 0.0000000 -0.0000000 2.9730102 19 Sr 2.7109776 0.2790428 -0.0000000 -0.0652732 3.2704489 -0.0000000 0.0000000 -0.0000000 2.9730102 20 Sr 2.7109776 -0.2790428 -0.0000000 0.0652732 3.2704489 -0.0000000 0.0000000 -0.0000000 2.9730102 21 Ag 0.1563670 -0.1029094 0.2004735 0.1817475 1.3101909 -0.6971074 0.0285909 -0.7310713 0.7043465 22 Ag 0.1563670 -0.1029094 -0.2004735 0.1817475 1.3101909 0.6971074 -0.0285909 0.7310713 0.7043465 23 Ag 0.1563670 0.1029094 0.2004735 -0.1817475 1.3101909 0.6971074 0.0285909 0.7310713 0.7043465 24 Ag 0.1563670 -0.1029094 0.2004735 0.1817475 1.3101909 -0.6971074 0.0285909 -0.7310713 0.7043465 25 Ag 1.3996421 0.0000000 -0.0000000 0.0000000 1.1603879 0.1260073 0.0000000 0.0836355 1.1636037 26 Ag 1.3996421 0.0000000 -0.0000000 0.0000000 1.1603879 -0.1260073 0.0000000 -0.0836355 1.1636037 27 Ag 1.3996421 0.0000000 -0.0000000 0.0000000 1.1603879 0.1260073 0.0000000 0.0836355 1.1636037 28 Ag 1.3996421 0.0000000 -0.0000000 0.0000000 1.1603879 -0.1260073 0.0000000 -0.0836355 1.1636037 29 Ag 0.1563670 0.1029094 -0.2004735 -0.1817475 1.3101909 -0.6971074 -0.0285909 -0.7310713 0.7043465 30 Ag 0.1563670 -0.1029094 -0.2004735 0.1817475 1.3101909 0.6971074 -0.0285909 0.7310713 0.7043465 31 Ag 0.1563670 0.1029094 0.2004735 -0.1817475 1.3101909 0.6971074 0.0285909 0.7310713 0.7043465 32 Ag 1.3730036 0.1382568 0.4864987 0.1317778 0.4446846 0.2543623 0.7049695 0.0789563 0.9986203 33 Ag 1.3730036 -0.1382568 -0.4864987 -0.1317778 0.4446846 0.2543623 -0.7049695 0.0789563 0.9986203 34 Ag 1.3730036 0.1382568 -0.4864987 0.1317778 0.4446846 -0.2543623 -0.7049695 -0.0789563 0.9986203 35 Ag 1.3730036 -0.1382568 0.4864987 -0.1317778 0.4446846 -0.2543623 0.7049695 -0.0789563 0.9986203 36 Ag 1.3730036 0.1382568 0.4864987 0.1317778 0.4446846 0.2543623 0.7049695 0.0789563 0.9986203 37 Ag 1.3730036 -0.1382568 -0.4864987 -0.1317778 0.4446846 0.2543623 -0.7049695 0.0789563 0.9986203 38 Ag 1.3730036 0.1382568 -0.4864987 0.1317778 0.4446846 -0.2543623 -0.7049695 -0.0789563 0.9986203 39 Ag 1.3730036 -0.1382568 0.4864987 -0.1317778 0.4446846 -0.2543623 0.7049695 -0.0789563 0.9986203 40 Ag 0.4555204 0.0034112 -0.2973623 -0.2370844 0.9364004 1.0363692 -0.3905785 0.6174478 0.8215269 41 Ag 0.4555204 -0.0034112 0.2973623 0.2370844 0.9364004 1.0363692 0.3905785 0.6174478 0.8215269 42 Ag 0.4555204 0.0034112 0.2973623 -0.2370844 0.9364004 -1.0363692 0.3905785 -0.6174478 0.8215269 43 Ag 0.4555204 -0.0034112 -0.2973623 0.2370844 0.9364004 -1.0363692 -0.3905785 -0.6174478 0.8215269 44 Ag 0.1563670 0.1029094 -0.2004735 -0.1817475 1.3101909 -0.6971074 -0.0285909 -0.7310713 0.7043465 ---------------------------------------------------------------------------- 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 (yy) 0.00000000 (yy) --------------------------- 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 ... [ 8 4 6 ] 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: 0.47, Number of G-points: 301, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.711 ( 0.000 0.000 0.000) 0.000 0.916 ( 0.000 0.000 0.000) 0.000 1.069 ( 0.000 0.000 0.000) 0.000 1.094 ( 0.000 0.000 0.000) 0.000 1.117 ( 0.000 0.000 0.000) 0.000 1.168 ( 0.000 0.000 0.000) 0.000 1.241 ( 0.000 0.000 0.000) 0.000 1.283 ( 0.000 0.000 0.000) 0.000 1.310 ( 0.000 0.000 0.000) 0.000 1.409 ( 0.000 0.000 0.000) 0.000 1.499 ( 0.000 0.000 0.000) 0.000 1.507 ( 0.000 0.000 0.000) 0.000 1.512 ( 0.000 0.000 0.000) 0.000 1.522 ( 0.000 0.000 0.000) 0.000 1.568 ( 0.000 0.000 0.000) 0.000 1.616 ( 0.000 0.000 0.000) 0.000 1.619 ( 0.000 0.000 0.000) 0.000 1.671 ( 0.000 0.000 0.000) 0.000 1.716 ( 0.000 0.000 0.000) 0.000 1.744 ( 0.000 0.000 0.000) 0.000 1.752 ( 0.000 0.000 0.000) 0.000 1.838 ( 0.000 0.000 0.000) 0.000 1.866 ( 0.000 0.000 0.000) 0.000 1.880 ( 0.000 0.000 0.000) 0.000 1.894 ( 0.000 0.000 0.000) 0.000 1.907 ( 0.000 0.000 0.000) 0.000 1.914 ( 0.000 0.000 0.000) 0.000 1.985 ( 0.000 0.000 0.000) 0.000 1.997 ( 0.000 0.000 0.000) 0.000 2.033 ( 0.000 0.000 0.000) 0.000 2.064 ( 0.000 0.000 0.000) 0.000 2.110 ( 0.000 0.000 0.000) 0.000 2.118 ( 0.000 0.000 0.000) 0.000 2.160 ( 0.000 0.000 0.000) 0.000 2.174 ( 0.000 0.000 0.000) 0.000 2.176 ( 0.000 0.000 0.000) 0.000 2.181 ( 0.000 0.000 0.000) 0.000 2.296 ( 0.000 0.000 0.000) 0.000 2.325 ( 0.000 0.000 0.000) 0.000 2.350 ( 0.000 0.000 0.000) 0.000 2.401 ( 0.000 0.000 0.000) 0.000 2.442 ( 0.000 0.000 0.000) 0.000 2.474 ( 0.000 0.000 0.000) 0.000 2.525 ( 0.000 0.000 0.000) 0.000 2.530 ( 0.000 0.000 0.000) 0.000 2.545 ( 0.000 0.000 0.000) 0.000 2.777 ( 0.000 0.000 0.000) 0.000 2.797 ( 0.000 0.000 0.000) 0.000 2.855 ( 0.000 0.000 0.000) 0.000 2.860 ( 0.000 0.000 0.000) 0.000 2.942 ( 0.000 0.000 0.000) 0.000 2.957 ( 0.000 0.000 0.000) 0.000 2.979 ( 0.000 0.000 0.000) 0.000 3.012 ( 0.000 0.000 0.000) 0.000 3.054 ( 0.000 0.000 0.000) 0.000 3.076 ( 0.000 0.000 0.000) 0.000 3.107 ( 0.000 0.000 0.000) 0.000 3.206 ( 0.000 0.000 0.000) 0.000 3.320 ( 0.000 0.000 0.000) 0.000 3.406 ( 0.000 0.000 0.000) 0.000 3.453 ( 0.000 0.000 0.000) 0.000 3.538 ( 0.000 0.000 0.000) 0.000 3.596 ( 0.000 0.000 0.000) 0.000 3.801 ( 0.000 0.000 0.000) 0.000 3.895 ( 0.000 0.000 0.000) 0.000 3.904 ( 0.000 0.000 0.000) 0.000 3.925 ( 0.000 0.000 0.000) 0.000 4.084 ( 0.000 0.000 0.000) 0.000 4.172 ( 0.000 0.000 0.000) 0.000 4.173 ( 0.000 0.000 0.000) 0.000 4.308 ( 0.000 0.000 0.000) 0.000 4.391 ( 0.000 0.000 0.000) 0.000 4.503 ( 0.000 0.000 0.000) 0.000 4.525 ( 0.000 0.000 0.000) 0.000 4.550 ( 0.000 0.000 0.000) 0.000 4.721 ( 0.000 0.000 0.000) 0.000 4.903 ( 0.000 0.000 0.000) 0.000 5.017 ( 0.000 0.000 0.000) 0.000 5.040 ( 0.000 0.000 0.000) 0.000 5.044 ( 0.000 0.000 0.000) 0.000 5.252 ( 0.000 0.000 0.000) 0.000 6.921 ( 0.000 0.000 0.000) 0.000 6.961 ( 0.000 0.000 0.000) 0.000 7.163 ( 0.000 0.000 0.000) 0.000 7.164 ( 0.000 0.000 0.000) 0.000 7.181 ( 0.000 0.000 0.000) 0.000 7.399 ( 0.000 0.000 0.000) 0.000 7.565 ( 0.000 0.000 0.000) 0.000 7.590 ( 0.000 0.000 0.000) 0.000 10.118 ( 0.000 0.000 0.000) 0.000 10.574 ( 0.000 0.000 0.000) 0.000 10.602 ( 0.000 0.000 0.000) 0.000 10.710 ( 0.000 0.000 0.000) 0.000 10.734 ( 0.000 0.000 0.000) 0.000 10.777 ( 0.000 0.000 0.000) 0.000 11.139 ( 0.000 0.000 0.000) 0.000 11.256 ( 0.000 0.000 0.000) 0.000 11.271 ( 0.000 0.000 0.000) 0.000 11.719 ( 0.000 0.000 0.000) 0.000 11.724 ( 0.000 0.000 0.000) 0.000 11.856 ( 0.000 0.000 0.000) 0.000 12.748 ( 0.000 0.000 0.000) 0.000 12.822 ( 0.000 0.000 0.000) 0.000 12.899 ( 0.000 0.000 0.000) 0.000 12.945 ( 0.000 0.000 0.000) 0.000 13.285 ( 0.000 0.000 0.000) 0.000 13.290 ( 0.000 0.000 0.000) 0.000 13.321 ( 0.000 0.000 0.000) 0.000 13.371 ( 0.000 0.000 0.000) 0.000 13.386 ( 0.000 0.000 0.000) 0.000 13.486 ( 0.000 0.000 0.000) 0.000 13.493 ( 0.000 0.000 0.000) 0.000 13.518 ( 0.000 0.000 0.000) 0.000 13.570 ( 0.000 0.000 0.000) 0.000 13.592 ( 0.000 0.000 0.000) 0.000 13.657 ( 0.000 0.000 0.000) 0.000 13.778 ( 0.000 0.000 0.000) 0.000 13.785 ( 0.000 0.000 0.000) 0.000 14.072 ( 0.000 0.000 0.000) 0.000 14.126 ( 0.000 0.000 0.000) 0.000 14.296 ( 0.000 0.000 0.000) 0.000 14.952 ( 0.000 0.000 0.000) 0.000 15.014 ( 0.000 0.000 0.000) 0.000 15.082 ( 0.000 0.000 0.000) 0.000 15.121 ( 0.000 0.000 0.000) 0.000 15.169 ( 0.000 0.000 0.000) 0.000 15.301 ( 0.000 0.000 0.000) 0.000 15.929 ( 0.000 0.000 0.000) 0.000 16.213 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.256 ( 13.129 0.000 0.000) 13.129 0.281 ( 14.163 0.000 0.000) 14.163 0.647 ( 30.616 0.000 0.000) 30.616 0.814 ( 9.485 0.000 0.000) 9.485 0.957 ( 3.847 0.000 0.000) 3.847 1.056 ( -0.742 0.000 0.000) 0.742 1.113 ( -0.559 0.000 0.000) 0.559 1.175 ( 0.516 0.000 0.000) 0.516 1.210 ( 1.251 0.000 0.000) 1.251 1.242 ( 0.240 0.000 0.000) 0.240 1.281 ( -1.886 0.000 0.000) 1.886 1.319 ( 3.172 0.000 0.000) 3.172 1.416 ( 0.725 0.000 0.000) 0.725 1.480 ( -0.860 0.000 0.000) 0.860 1.502 ( -0.513 0.000 0.000) 0.513 1.520 ( 2.156 0.000 0.000) 2.156 1.570 ( 1.989 0.000 0.000) 1.989 1.594 ( -2.687 0.000 0.000) 2.687 1.615 ( -0.013 0.000 0.000) 0.013 1.647 ( -1.825 0.000 0.000) 1.825 1.650 ( 4.740 0.000 0.000) 4.740 1.689 ( -5.440 0.000 0.000) 5.440 1.721 ( -2.035 0.000 0.000) 2.035 1.731 ( 1.465 0.000 0.000) 1.465 1.845 ( 0.063 0.000 0.000) 0.063 1.847 ( -1.905 0.000 0.000) 1.905 1.862 ( 0.141 0.000 0.000) 0.141 1.905 ( -0.268 0.000 0.000) 0.268 1.955 ( 2.682 0.000 0.000) 2.682 1.959 ( -2.770 0.000 0.000) 2.770 1.960 ( 3.955 0.000 0.000) 3.955 1.994 ( 0.283 0.000 0.000) 0.283 2.068 ( 0.823 0.000 0.000) 0.823 2.078 ( 2.907 0.000 0.000) 2.907 2.086 ( -2.223 0.000 0.000) 2.223 2.097 ( -1.319 0.000 0.000) 1.319 2.142 ( -2.949 0.000 0.000) 2.949 2.176 ( 1.799 0.000 0.000) 1.799 2.188 ( 0.325 0.000 0.000) 0.325 2.188 ( 1.194 0.000 0.000) 1.194 2.331 ( 2.241 0.000 0.000) 2.241 2.335 ( 0.751 0.000 0.000) 0.751 2.365 ( 1.352 0.000 0.000) 1.352 2.403 ( -0.202 0.000 0.000) 0.202 2.438 ( 0.061 0.000 0.000) 0.061 2.457 ( -1.342 0.000 0.000) 1.342 2.496 ( -2.818 0.000 0.000) 2.818 2.521 ( -0.654 0.000 0.000) 0.654 2.536 ( -0.886 0.000 0.000) 0.886 2.754 ( -4.131 0.000 0.000) 4.131 2.770 ( -0.709 0.000 0.000) 0.709 2.834 ( -2.195 0.000 0.000) 2.195 2.872 ( -4.248 0.000 0.000) 4.248 2.907 ( 3.181 0.000 0.000) 3.181 2.911 ( -4.569 0.000 0.000) 4.569 2.971 ( -4.748 0.000 0.000) 4.748 3.039 ( 3.217 0.000 0.000) 3.217 3.052 ( 0.818 0.000 0.000) 0.818 3.053 ( -3.247 0.000 0.000) 3.247 3.063 ( -3.934 0.000 0.000) 3.934 3.147 ( -4.486 0.000 0.000) 4.486 3.300 ( -0.682 0.000 0.000) 0.682 3.437 ( -8.360 0.000 0.000) 8.360 3.440 ( 2.970 0.000 0.000) 2.970 3.518 ( 5.528 0.000 0.000) 5.528 3.643 ( 4.111 0.000 0.000) 4.111 3.791 ( -1.452 0.000 0.000) 1.452 3.891 ( -1.651 0.000 0.000) 1.651 3.896 ( 0.297 0.000 0.000) 0.297 4.020 ( 7.861 0.000 0.000) 7.861 4.071 ( 0.638 0.000 0.000) 0.638 4.191 ( 1.552 0.000 0.000) 1.552 4.243 ( 5.907 0.000 0.000) 5.907 4.354 ( -1.061 0.000 0.000) 1.061 4.429 ( 3.259 0.000 0.000) 3.259 4.456 ( -4.560 0.000 0.000) 4.560 4.507 ( -1.950 0.000 0.000) 1.950 4.538 ( -1.206 0.000 0.000) 1.206 4.726 ( 0.561 0.000 0.000) 0.561 4.767 ( -9.979 0.000 0.000) 9.979 5.010 ( -0.717 0.000 0.000) 0.717 5.052 ( 0.813 0.000 0.000) 0.813 5.119 ( 4.246 0.000 0.000) 4.246 5.222 ( -3.071 0.000 0.000) 3.071 6.988 ( 2.379 0.000 0.000) 2.379 7.174 ( 1.000 0.000 0.000) 1.000 7.179 ( -0.116 0.000 0.000) 0.116 7.186 ( 2.446 0.000 0.000) 2.446 7.365 ( -2.682 0.000 0.000) 2.682 7.585 ( 1.945 0.000 0.000) 1.945 7.622 ( -1.497 0.000 0.000) 1.497 7.634 ( 3.592 0.000 0.000) 3.592 10.116 ( -0.086 0.000 0.000) 0.086 10.564 ( -0.997 0.000 0.000) 0.997 10.576 ( -3.085 0.000 0.000) 3.085 10.650 ( -5.831 0.000 0.000) 5.831 10.779 ( 5.378 0.000 0.000) 5.378 10.822 ( 1.787 0.000 0.000) 1.787 11.115 ( -2.848 0.000 0.000) 2.848 11.269 ( 1.299 0.000 0.000) 1.299 11.283 ( 1.770 0.000 0.000) 1.770 11.688 ( -3.006 0.000 0.000) 3.006 11.733 ( 0.748 0.000 0.000) 0.748 11.829 ( -2.217 0.000 0.000) 2.217 12.778 ( 3.129 0.000 0.000) 3.129 12.887 ( 5.668 0.000 0.000) 5.668 12.924 ( 2.556 0.000 0.000) 2.556 12.951 ( 0.691 0.000 0.000) 0.691 13.264 ( -2.097 0.000 0.000) 2.097 13.297 ( -1.856 0.000 0.000) 1.856 13.300 ( -5.718 0.000 0.000) 5.718 13.351 ( -0.119 0.000 0.000) 0.119 13.431 ( -2.614 0.000 0.000) 2.614 13.517 ( -4.881 0.000 0.000) 4.881 13.550 ( 1.966 0.000 0.000) 1.966 13.551 ( -3.658 0.000 0.000) 3.658 13.579 ( 5.733 0.000 0.000) 5.733 13.634 ( -2.402 0.000 0.000) 2.402 13.777 ( -0.800 0.000 0.000) 0.800 13.811 ( 2.852 0.000 0.000) 2.852 14.016 ( -10.145 0.000 0.000) 10.145 14.044 ( -5.551 0.000 0.000) 5.551 14.076 ( 0.233 0.000 0.000) 0.233 14.344 ( 1.043 0.000 0.000) 1.043 14.992 ( 3.778 0.000 0.000) 3.778 15.019 ( 0.524 0.000 0.000) 0.524 15.081 ( -0.156 0.000 0.000) 0.156 15.129 ( 0.679 0.000 0.000) 0.679 15.227 ( 4.878 0.000 0.000) 4.878 15.312 ( 1.239 0.000 0.000) 1.239 15.910 ( -1.962 0.000 0.000) 1.962 16.168 ( -4.419 0.000 0.000) 4.419 ======================= Grid point 2 (3/60) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.511 ( 12.994 0.000 0.000) 12.994 0.544 ( 12.707 0.000 0.000) 12.707 1.021 ( 9.333 0.000 0.000) 9.333 1.046 ( 4.767 0.000 0.000) 4.767 1.062 ( 1.575 0.000 0.000) 1.575 1.093 ( 12.401 0.000 0.000) 12.401 1.097 ( 0.182 0.000 0.000) 0.182 1.169 ( -1.522 0.000 0.000) 1.522 1.202 ( -1.679 0.000 0.000) 1.679 1.266 ( 2.525 0.000 0.000) 2.525 1.337 ( 7.467 0.000 0.000) 7.467 1.380 ( 2.206 0.000 0.000) 2.206 1.442 ( 2.134 0.000 0.000) 2.134 1.463 ( -4.215 0.000 0.000) 4.215 1.519 ( 6.471 0.000 0.000) 6.471 1.549 ( -0.679 0.000 0.000) 0.679 1.574 ( -4.376 0.000 0.000) 4.376 1.580 ( 2.779 0.000 0.000) 2.779 1.607 ( 1.460 0.000 0.000) 1.460 1.617 ( -1.081 0.000 0.000) 1.081 1.623 ( 0.959 0.000 0.000) 0.959 1.679 ( -1.810 0.000 0.000) 1.810 1.728 ( 2.468 0.000 0.000) 2.468 1.762 ( 1.174 0.000 0.000) 1.174 1.827 ( -2.032 0.000 0.000) 2.032 1.831 ( 1.508 0.000 0.000) 1.508 1.873 ( 0.783 0.000 0.000) 0.783 1.885 ( -2.891 0.000 0.000) 2.891 1.909 ( -1.210 0.000 0.000) 1.210 1.967 ( -3.060 0.000 0.000) 3.060 1.984 ( 0.175 0.000 0.000) 0.175 2.039 ( 2.029 0.000 0.000) 2.029 2.067 ( 0.222 0.000 0.000) 0.222 2.068 ( -0.251 0.000 0.000) 0.251 2.075 ( -3.161 0.000 0.000) 3.161 2.110 ( -0.354 0.000 0.000) 0.354 2.116 ( 4.022 0.000 0.000) 4.022 2.178 ( -1.545 0.000 0.000) 1.545 2.226 ( 2.841 0.000 0.000) 2.841 2.231 ( 3.599 0.000 0.000) 3.599 2.335 ( -1.377 0.000 0.000) 1.377 2.339 ( -1.295 0.000 0.000) 1.295 2.391 ( 0.977 0.000 0.000) 0.977 2.412 ( 1.734 0.000 0.000) 1.734 2.420 ( -3.592 0.000 0.000) 3.592 2.453 ( 0.496 0.000 0.000) 0.496 2.465 ( 2.305 0.000 0.000) 2.305 2.514 ( 0.065 0.000 0.000) 0.065 2.521 ( -0.252 0.000 0.000) 0.252 2.648 ( -6.323 0.000 0.000) 6.323 2.738 ( -3.111 0.000 0.000) 3.111 2.776 ( -3.484 0.000 0.000) 3.484 2.793 ( -4.040 0.000 0.000) 4.040 2.796 ( -6.640 0.000 0.000) 6.640 2.847 ( -6.397 0.000 0.000) 6.397 2.939 ( -7.481 0.000 0.000) 7.481 2.962 ( 0.975 0.000 0.000) 0.975 2.988 ( -2.839 0.000 0.000) 2.839 3.070 ( -3.560 0.000 0.000) 3.560 3.088 ( 1.647 0.000 0.000) 1.647 3.133 ( 8.478 0.000 0.000) 8.478 3.272 ( -7.593 0.000 0.000) 7.593 3.324 ( 3.025 0.000 0.000) 3.025 3.476 ( -0.885 0.000 0.000) 0.885 3.642 ( 6.918 0.000 0.000) 6.918 3.733 ( 4.863 0.000 0.000) 4.863 3.736 ( -4.209 0.000 0.000) 4.209 3.876 ( 2.007 0.000 0.000) 2.007 3.904 ( 0.230 0.000 0.000) 0.230 4.124 ( 4.264 0.000 0.000) 4.264 4.176 ( 7.330 0.000 0.000) 7.330 4.186 ( -4.538 0.000 0.000) 4.538 4.307 ( -4.406 0.000 0.000) 4.406 4.365 ( -2.507 0.000 0.000) 2.507 4.381 ( 7.860 0.000 0.000) 7.860 4.448 ( -4.036 0.000 0.000) 4.036 4.493 ( 2.946 0.000 0.000) 2.946 4.506 ( -1.970 0.000 0.000) 1.970 4.580 ( -8.147 0.000 0.000) 8.147 4.743 ( 1.195 0.000 0.000) 1.195 4.989 ( -1.536 0.000 0.000) 1.536 5.074 ( 1.410 0.000 0.000) 1.410 5.135 ( -5.804 0.000 0.000) 5.804 5.173 ( 1.226 0.000 0.000) 1.226 7.037 ( 2.470 0.000 0.000) 2.470 7.181 ( 0.496 0.000 0.000) 0.496 7.192 ( 0.598 0.000 0.000) 0.598 7.261 ( 5.017 0.000 0.000) 5.017 7.314 ( -2.394 0.000 0.000) 2.394 7.580 ( -2.774 0.000 0.000) 2.774 7.630 ( 2.436 0.000 0.000) 2.436 7.698 ( 2.482 0.000 0.000) 2.482 10.125 ( 1.302 0.000 0.000) 1.302 10.525 ( -2.002 0.000 0.000) 2.002 10.527 ( -6.649 0.000 0.000) 6.649 10.538 ( -1.499 0.000 0.000) 1.499 10.833 ( -0.437 0.000 0.000) 0.437 10.898 ( 6.804 0.000 0.000) 6.804 11.030 ( -5.420 0.000 0.000) 5.420 11.301 ( 1.609 0.000 0.000) 1.609 11.350 ( 5.011 0.000 0.000) 5.011 11.613 ( -4.108 0.000 0.000) 4.108 11.740 ( -0.372 0.000 0.000) 0.372 11.787 ( -2.229 0.000 0.000) 2.229 12.870 ( 6.203 0.000 0.000) 6.203 12.973 ( 1.516 0.000 0.000) 1.516 12.988 ( 3.704 0.000 0.000) 3.704 12.997 ( 4.802 0.000 0.000) 4.802 13.188 ( -5.195 0.000 0.000) 5.195 13.221 ( -1.975 0.000 0.000) 1.975 13.267 ( -1.148 0.000 0.000) 1.148 13.310 ( -5.111 0.000 0.000) 5.111 13.385 ( -2.114 0.000 0.000) 2.114 13.435 ( -1.898 0.000 0.000) 1.898 13.479 ( -2.592 0.000 0.000) 2.592 13.545 ( -4.309 0.000 0.000) 4.309 13.591 ( -0.184 0.000 0.000) 0.184 13.712 ( 7.755 0.000 0.000) 7.755 13.757 ( -1.105 0.000 0.000) 1.105 13.771 ( -13.275 0.000 0.000) 13.275 13.873 ( 3.293 0.000 0.000) 3.293 13.939 ( -6.141 0.000 0.000) 6.141 14.073 ( -0.691 0.000 0.000) 0.691 14.313 ( -3.924 0.000 0.000) 3.924 15.031 ( 0.657 0.000 0.000) 0.657 15.076 ( -0.333 0.000 0.000) 0.333 15.077 ( 4.250 0.000 0.000) 4.250 15.144 ( 0.792 0.000 0.000) 0.792 15.350 ( 7.317 0.000 0.000) 7.317 15.363 ( 4.456 0.000 0.000) 4.456 15.853 ( -3.849 0.000 0.000) 3.849 16.048 ( -7.750 0.000 0.000) 7.750 ======================= Grid point 3 (4/60) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.756 ( 11.934 0.000 0.000) 11.934 0.767 ( 9.916 0.000 0.000) 9.916 1.027 ( -3.362 0.000 0.000) 3.362 1.107 ( -4.452 0.000 0.000) 4.452 1.116 ( 3.596 0.000 0.000) 3.596 1.131 ( 3.449 0.000 0.000) 3.449 1.183 ( 0.003 0.000 0.000) 0.003 1.216 ( 3.135 0.000 0.000) 3.135 1.220 ( 4.956 0.000 0.000) 4.956 1.331 ( 3.696 0.000 0.000) 3.696 1.357 ( -4.367 0.000 0.000) 4.367 1.381 ( -2.134 0.000 0.000) 2.134 1.442 ( 4.142 0.000 0.000) 4.142 1.497 ( 3.014 0.000 0.000) 3.014 1.538 ( -1.034 0.000 0.000) 1.034 1.540 ( 1.771 0.000 0.000) 1.771 1.603 ( -2.112 0.000 0.000) 2.112 1.618 ( 1.085 0.000 0.000) 1.085 1.621 ( -0.129 0.000 0.000) 0.129 1.651 ( 1.434 0.000 0.000) 1.434 1.678 ( 5.169 0.000 0.000) 5.169 1.695 ( 2.895 0.000 0.000) 2.895 1.733 ( 0.177 0.000 0.000) 0.177 1.754 ( -1.853 0.000 0.000) 1.853 1.780 ( -1.647 0.000 0.000) 1.647 1.816 ( -3.565 0.000 0.000) 3.565 1.895 ( 1.819 0.000 0.000) 1.819 1.896 ( -3.710 0.000 0.000) 3.710 1.903 ( 0.425 0.000 0.000) 0.425 1.904 ( 0.947 0.000 0.000) 0.947 1.997 ( -3.455 0.000 0.000) 3.455 2.018 ( 6.115 0.000 0.000) 6.115 2.042 ( 0.349 0.000 0.000) 0.349 2.055 ( -4.890 0.000 0.000) 4.890 2.078 ( 0.750 0.000 0.000) 0.750 2.127 ( 3.632 0.000 0.000) 3.632 2.131 ( -2.914 0.000 0.000) 2.914 2.196 ( 3.521 0.000 0.000) 3.521 2.258 ( -0.582 0.000 0.000) 0.582 2.293 ( -1.413 0.000 0.000) 1.413 2.303 ( -2.169 0.000 0.000) 2.169 2.335 ( 6.715 0.000 0.000) 6.715 2.367 ( -0.883 0.000 0.000) 0.883 2.395 ( -0.404 0.000 0.000) 0.404 2.477 ( -3.768 0.000 0.000) 3.768 2.478 ( 4.972 0.000 0.000) 4.972 2.495 ( 3.123 0.000 0.000) 3.123 2.525 ( 0.930 0.000 0.000) 0.930 2.538 ( 1.971 0.000 0.000) 1.971 2.544 ( -1.961 0.000 0.000) 1.961 2.641 ( -6.330 0.000 0.000) 6.330 2.678 ( -4.987 0.000 0.000) 4.987 2.703 ( -4.196 0.000 0.000) 4.196 2.708 ( -4.756 0.000 0.000) 4.756 2.745 ( -3.558 0.000 0.000) 3.558 2.795 ( -6.600 0.000 0.000) 6.600 2.967 ( 0.076 0.000 0.000) 0.076 2.971 ( 0.933 0.000 0.000) 0.933 3.010 ( -2.486 0.000 0.000) 2.486 3.076 ( -3.232 0.000 0.000) 3.232 3.198 ( 0.947 0.000 0.000) 0.947 3.365 ( 14.572 0.000 0.000) 14.572 3.394 ( -6.433 0.000 0.000) 6.433 3.405 ( 5.062 0.000 0.000) 5.062 3.635 ( -5.878 0.000 0.000) 5.878 3.769 ( 5.254 0.000 0.000) 5.254 3.834 ( 5.551 0.000 0.000) 5.551 3.896 ( -1.127 0.000 0.000) 1.127 3.987 ( 8.303 0.000 0.000) 8.303 3.997 ( -12.507 0.000 0.000) 12.507 4.173 ( -8.766 0.000 0.000) 8.766 4.217 ( 4.960 0.000 0.000) 4.960 4.262 ( -0.496 0.000 0.000) 0.496 4.365 ( -3.397 0.000 0.000) 3.397 4.377 ( 2.224 0.000 0.000) 2.224 4.473 ( -3.309 0.000 0.000) 3.309 4.473 ( -0.653 0.000 0.000) 0.653 4.498 ( 1.763 0.000 0.000) 1.763 4.575 ( 7.434 0.000 0.000) 7.434 4.766 ( 0.711 0.000 0.000) 0.711 4.952 ( -2.036 0.000 0.000) 2.036 5.007 ( -6.681 0.000 0.000) 6.681 5.106 ( 1.834 0.000 0.000) 1.834 5.173 ( -0.979 0.000 0.000) 0.979 7.087 ( 2.816 0.000 0.000) 2.816 7.187 ( -1.284 0.000 0.000) 1.284 7.200 ( 1.456 0.000 0.000) 1.456 7.272 ( -1.996 0.000 0.000) 1.996 7.363 ( 5.053 0.000 0.000) 5.053 7.519 ( -3.333 0.000 0.000) 3.333 7.674 ( 1.985 0.000 0.000) 1.985 7.722 ( 0.055 0.000 0.000) 0.055 10.174 ( 3.844 0.000 0.000) 3.844 10.396 ( -6.737 0.000 0.000) 6.737 10.499 ( -0.764 0.000 0.000) 0.764 10.511 ( -1.223 0.000 0.000) 1.223 10.824 ( 0.034 0.000 0.000) 0.034 10.924 ( -5.015 0.000 0.000) 5.015 11.040 ( 7.683 0.000 0.000) 7.683 11.297 ( -3.038 0.000 0.000) 3.038 11.470 ( 7.063 0.000 0.000) 7.063 11.569 ( 0.605 0.000 0.000) 0.605 11.707 ( -3.113 0.000 0.000) 3.113 11.726 ( -4.475 0.000 0.000) 4.475 13.010 ( 7.487 0.000 0.000) 7.487 13.011 ( 2.280 0.000 0.000) 2.280 13.031 ( 1.212 0.000 0.000) 1.212 13.104 ( 6.393 0.000 0.000) 6.393 13.112 ( -2.391 0.000 0.000) 2.391 13.179 ( -2.940 0.000 0.000) 2.940 13.197 ( -5.154 0.000 0.000) 5.154 13.246 ( -0.004 0.000 0.000) 0.004 13.360 ( -0.006 0.000 0.000) 0.006 13.420 ( -0.825 0.000 0.000) 0.825 13.429 ( -6.784 0.000 0.000) 6.784 13.487 ( 2.919 0.000 0.000) 2.919 13.514 ( -12.981 0.000 0.000) 12.981 13.586 ( -0.925 0.000 0.000) 0.925 13.736 ( -0.646 0.000 0.000) 0.646 13.819 ( -5.549 0.000 0.000) 5.549 13.878 ( 8.883 0.000 0.000) 8.883 13.936 ( 3.180 0.000 0.000) 3.180 14.046 ( -2.079 0.000 0.000) 2.079 14.204 ( -6.997 0.000 0.000) 6.997 15.044 ( 0.659 0.000 0.000) 0.659 15.068 ( -0.507 0.000 0.000) 0.507 15.137 ( 1.827 0.000 0.000) 1.827 15.156 ( 0.371 0.000 0.000) 0.371 15.493 ( 8.660 0.000 0.000) 8.660 15.497 ( 7.638 0.000 0.000) 7.638 15.762 ( -5.546 0.000 0.000) 5.546 15.876 ( -9.681 0.000 0.000) 9.681 ======================= Grid point 4 (5/60) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( -3.170 0.000 0.000) 3.170 0.915 ( 3.170 0.000 0.000) 3.170 0.983 ( -5.858 0.000 0.000) 5.858 0.983 ( 5.858 0.000 0.000) 5.858 1.175 ( -1.763 0.000 0.000) 1.763 1.175 ( 1.763 0.000 0.000) 1.763 1.203 ( -3.672 0.000 0.000) 3.672 1.203 ( 3.672 0.000 0.000) 3.672 1.271 ( -3.570 0.000 0.000) 3.570 1.271 ( 3.570 0.000 0.000) 3.570 1.386 ( -0.939 0.000 0.000) 0.939 1.386 ( 0.939 0.000 0.000) 0.939 1.529 ( -4.560 0.000 0.000) 4.560 1.529 ( 4.560 0.000 0.000) 4.560 1.529 ( -0.006 0.000 0.000) 0.006 1.529 ( 0.006 0.000 0.000) 0.006 1.595 ( -2.451 0.000 0.000) 2.451 1.595 ( 2.451 0.000 0.000) 2.451 1.642 ( -1.540 0.000 0.000) 1.540 1.642 ( 1.540 0.000 0.000) 1.540 1.700 ( -0.615 0.000 0.000) 0.615 1.700 ( 0.615 0.000 0.000) 0.615 1.755 ( -2.399 0.000 0.000) 2.399 1.755 ( 2.399 0.000 0.000) 2.399 1.784 ( -1.831 0.000 0.000) 1.831 1.784 ( 1.831 0.000 0.000) 1.831 1.865 ( -2.202 0.000 0.000) 2.202 1.865 ( 2.202 0.000 0.000) 2.202 1.932 ( -2.377 0.000 0.000) 2.377 1.932 ( 2.377 0.000 0.000) 2.377 1.956 ( -4.145 0.000 0.000) 4.145 1.956 ( 4.145 0.000 0.000) 4.145 2.075 ( -2.618 0.000 0.000) 2.618 2.075 ( 2.618 0.000 0.000) 2.618 2.092 ( -0.068 0.000 0.000) 0.068 2.092 ( 0.068 0.000 0.000) 0.068 2.203 ( -4.001 0.000 0.000) 4.001 2.203 ( 4.001 0.000 0.000) 4.001 2.254 ( -2.860 0.000 0.000) 2.860 2.254 ( 2.860 0.000 0.000) 2.860 2.352 ( -6.756 0.000 0.000) 6.756 2.352 ( 6.756 0.000 0.000) 6.756 2.378 ( -1.064 0.000 0.000) 1.064 2.378 ( 1.064 0.000 0.000) 1.064 2.475 ( -6.690 0.000 0.000) 6.690 2.475 ( 6.690 0.000 0.000) 6.690 2.539 ( -0.291 0.000 0.000) 0.291 2.539 ( 0.291 0.000 0.000) 0.291 2.582 ( -1.139 0.000 0.000) 1.139 2.582 ( 1.139 0.000 0.000) 1.139 2.595 ( -6.555 0.000 0.000) 6.555 2.595 ( 6.555 0.000 0.000) 6.555 2.622 ( -2.062 0.000 0.000) 2.062 2.622 ( 2.062 0.000 0.000) 2.062 2.719 ( -0.999 0.000 0.000) 0.999 2.719 ( 0.999 0.000 0.000) 0.999 2.976 ( -0.979 0.000 0.000) 0.979 2.976 ( 0.979 0.000 0.000) 0.979 3.011 ( -2.874 0.000 0.000) 2.874 3.011 ( 2.874 0.000 0.000) 2.874 3.269 ( -5.619 0.000 0.000) 5.619 3.269 ( 5.619 0.000 0.000) 5.619 3.514 ( -5.950 0.000 0.000) 5.950 3.514 ( 5.950 0.000 0.000) 5.950 3.672 ( -15.614 0.000 0.000) 15.614 3.672 ( 15.614 0.000 0.000) 15.614 3.859 ( -2.485 0.000 0.000) 2.485 3.859 ( 2.485 0.000 0.000) 2.485 3.999 ( -8.480 0.000 0.000) 8.480 3.999 ( 8.480 0.000 0.000) 8.480 4.156 ( -8.217 0.000 0.000) 8.217 4.156 ( 8.217 0.000 0.000) 8.217 4.306 ( -3.893 0.000 0.000) 3.893 4.306 ( 3.893 0.000 0.000) 3.893 4.423 ( -2.307 0.000 0.000) 2.307 4.423 ( 2.307 0.000 0.000) 2.307 4.490 ( -1.508 0.000 0.000) 1.508 4.490 ( 1.508 0.000 0.000) 1.508 4.724 ( -6.071 0.000 0.000) 6.071 4.724 ( 6.071 0.000 0.000) 6.071 4.927 ( -0.475 0.000 0.000) 0.475 4.927 ( 0.475 0.000 0.000) 0.475 5.143 ( -1.876 0.000 0.000) 1.876 5.143 ( 1.876 0.000 0.000) 1.876 7.145 ( -2.854 0.000 0.000) 2.854 7.145 ( 2.854 0.000 0.000) 2.854 7.234 ( -1.912 0.000 0.000) 1.912 7.234 ( 1.912 0.000 0.000) 1.912 7.450 ( -3.881 0.000 0.000) 3.881 7.450 ( 3.881 0.000 0.000) 3.881 7.707 ( -1.389 0.000 0.000) 1.389 7.707 ( 1.389 0.000 0.000) 1.389 10.271 ( -5.911 0.000 0.000) 5.911 10.271 ( 5.911 0.000 0.000) 5.911 10.495 ( -0.349 0.000 0.000) 0.349 10.495 ( 0.349 0.000 0.000) 0.349 10.848 ( -2.609 0.000 0.000) 2.609 10.848 ( 2.609 0.000 0.000) 2.609 11.189 ( -7.228 0.000 0.000) 7.228 11.189 ( 7.228 0.000 0.000) 7.228 11.611 ( -6.999 0.000 0.000) 6.999 11.611 ( 6.999 0.000 0.000) 6.999 11.628 ( -4.436 0.000 0.000) 4.436 11.628 ( 4.436 0.000 0.000) 4.436 13.041 ( -0.307 0.000 0.000) 0.307 13.041 ( 0.307 0.000 0.000) 0.307 13.113 ( -2.727 0.000 0.000) 2.727 13.113 ( 2.727 0.000 0.000) 2.727 13.117 ( -3.720 0.000 0.000) 3.720 13.117 ( 3.720 0.000 0.000) 3.720 13.274 ( -11.092 0.000 0.000) 11.092 13.274 ( 11.092 0.000 0.000) 11.092 13.303 ( -5.462 0.000 0.000) 5.462 13.303 ( 5.462 0.000 0.000) 5.462 13.388 ( -2.313 0.000 0.000) 2.313 13.388 ( 2.313 0.000 0.000) 2.313 13.550 ( -2.801 0.000 0.000) 2.801 13.550 ( 2.801 0.000 0.000) 2.801 13.744 ( -1.917 0.000 0.000) 1.917 13.744 ( 1.917 0.000 0.000) 1.917 13.996 ( -2.943 0.000 0.000) 2.943 13.996 ( 2.943 0.000 0.000) 2.943 14.050 ( -8.596 0.000 0.000) 8.596 14.050 ( 8.596 0.000 0.000) 8.596 15.057 ( -0.621 0.000 0.000) 0.621 15.057 ( 0.621 0.000 0.000) 0.621 15.156 ( -0.381 0.000 0.000) 0.381 15.156 ( 0.381 0.000 0.000) 0.381 15.640 ( -6.885 0.000 0.000) 6.885 15.640 ( 6.885 0.000 0.000) 6.885 15.680 ( -10.190 0.000 0.000) 10.190 15.680 ( 10.190 0.000 0.000) 10.190 ======================= Grid point 9 (6/60) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.263 ( 0.000 12.281 0.000) 12.281 0.303 ( 0.000 14.726 0.000) 14.726 0.672 ( 0.000 5.640 0.000) 5.640 0.714 ( 0.000 16.869 0.000) 16.869 0.825 ( 0.000 -8.885 0.000) 8.885 1.070 ( 0.000 0.926 0.000) 0.926 1.127 ( 0.000 3.071 0.000) 3.071 1.148 ( 0.000 -1.728 0.000) 1.728 1.175 ( 0.000 3.049 0.000) 3.049 1.277 ( 0.000 3.682 0.000) 3.682 1.310 ( 0.000 2.335 0.000) 2.335 1.352 ( 0.000 -0.130 0.000) 0.130 1.397 ( 0.000 -1.356 0.000) 1.356 1.398 ( 0.000 -6.355 0.000) 6.355 1.465 ( 0.000 -7.460 0.000) 7.460 1.533 ( 0.000 2.489 0.000) 2.489 1.542 ( 0.000 5.166 0.000) 5.166 1.588 ( 0.000 1.560 0.000) 1.560 1.594 ( 0.000 -9.152 0.000) 9.152 1.607 ( 0.000 -0.877 0.000) 0.877 1.640 ( 0.000 1.651 0.000) 1.651 1.736 ( 0.000 4.243 0.000) 4.243 1.742 ( 0.000 0.574 0.000) 0.574 1.784 ( 0.000 2.150 0.000) 2.150 1.834 ( 0.000 -0.510 0.000) 0.510 1.871 ( 0.000 -3.829 0.000) 3.829 1.874 ( 0.000 -0.456 0.000) 0.456 1.885 ( 0.000 1.169 0.000) 1.169 1.896 ( 0.000 -0.501 0.000) 0.501 1.924 ( 0.000 -0.528 0.000) 0.528 1.950 ( 0.000 -2.111 0.000) 2.111 1.988 ( 0.000 0.018 0.000) 0.018 2.029 ( 0.000 -1.201 0.000) 1.201 2.073 ( 0.000 -1.226 0.000) 1.226 2.077 ( 0.000 0.978 0.000) 0.978 2.106 ( 0.000 -1.763 0.000) 1.763 2.135 ( 0.000 -5.359 0.000) 5.359 2.138 ( 0.000 -1.701 0.000) 1.701 2.195 ( 0.000 2.826 0.000) 2.826 2.228 ( 0.000 2.065 0.000) 2.065 2.371 ( 0.000 5.838 0.000) 5.838 2.386 ( 0.000 4.178 0.000) 4.178 2.408 ( 0.000 0.739 0.000) 0.739 2.443 ( 0.000 0.471 0.000) 0.471 2.461 ( 0.000 8.783 0.000) 8.783 2.482 ( 0.000 -0.473 0.000) 0.473 2.515 ( 0.000 -0.931 0.000) 0.931 2.524 ( 0.000 -1.549 0.000) 1.549 2.541 ( 0.000 1.590 0.000) 1.590 2.722 ( 0.000 -8.778 0.000) 8.778 2.763 ( 0.000 -3.723 0.000) 3.723 2.805 ( 0.000 1.958 0.000) 1.958 2.830 ( 0.000 -2.487 0.000) 2.487 2.870 ( 0.000 -12.007 0.000) 12.007 2.934 ( 0.000 -4.822 0.000) 4.822 2.953 ( 0.000 -1.129 0.000) 1.129 2.965 ( 0.000 2.134 0.000) 2.134 3.024 ( 0.000 0.520 0.000) 0.520 3.145 ( 0.000 6.198 0.000) 6.198 3.235 ( 0.000 2.897 0.000) 2.897 3.265 ( 0.000 8.402 0.000) 8.402 3.315 ( 0.000 -0.836 0.000) 0.836 3.381 ( 0.000 0.064 0.000) 0.064 3.440 ( 0.000 -2.756 0.000) 2.756 3.515 ( 0.000 -3.942 0.000) 3.942 3.527 ( 0.000 -1.014 0.000) 1.014 3.855 ( 0.000 3.221 0.000) 3.221 3.880 ( 0.000 -0.477 0.000) 0.477 3.927 ( 0.000 1.304 0.000) 1.304 4.040 ( 0.000 -3.622 0.000) 3.622 4.040 ( 0.000 8.751 0.000) 8.751 4.150 ( 0.000 -2.160 0.000) 2.160 4.187 ( 0.000 1.398 0.000) 1.398 4.188 ( 0.000 -6.094 0.000) 6.094 4.451 ( 0.000 -3.806 0.000) 3.806 4.516 ( 0.000 -4.332 0.000) 4.332 4.544 ( 0.000 1.079 0.000) 1.079 4.576 ( 0.000 11.298 0.000) 11.298 4.629 ( 0.000 -5.396 0.000) 5.396 4.874 ( 0.000 -2.956 0.000) 2.956 5.106 ( 0.000 5.966 0.000) 5.966 5.120 ( 0.000 5.278 0.000) 5.278 5.246 ( 0.000 -0.806 0.000) 0.806 5.392 ( 0.000 -5.134 0.000) 5.134 6.939 ( 0.000 1.839 0.000) 1.839 6.973 ( 0.000 1.433 0.000) 1.433 7.093 ( 0.000 -4.924 0.000) 4.924 7.117 ( 0.000 -4.108 0.000) 4.108 7.369 ( 0.000 5.043 0.000) 5.043 7.434 ( 0.000 3.097 0.000) 3.097 7.540 ( 0.000 -2.447 0.000) 2.447 7.567 ( 0.000 -2.193 0.000) 2.193 10.171 ( 0.000 4.997 0.000) 4.997 10.481 ( 0.000 -7.828 0.000) 7.828 10.612 ( 0.000 0.966 0.000) 0.966 10.684 ( 0.000 -2.034 0.000) 2.034 10.747 ( 0.000 1.119 0.000) 1.119 10.782 ( 0.000 -0.060 0.000) 0.060 11.168 ( 0.000 2.466 0.000) 2.466 11.243 ( 0.000 -0.685 0.000) 0.685 11.372 ( 0.000 7.888 0.000) 7.888 11.672 ( 0.000 -4.554 0.000) 4.554 11.742 ( 0.000 1.742 0.000) 1.742 11.836 ( 0.000 -1.884 0.000) 1.884 12.767 ( 0.000 1.785 0.000) 1.785 12.855 ( 0.000 3.041 0.000) 3.041 12.873 ( 0.000 -2.353 0.000) 2.353 13.017 ( 0.000 6.681 0.000) 6.681 13.101 ( 0.000 -8.972 0.000) 8.972 13.309 ( 0.000 -5.003 0.000) 5.003 13.349 ( 0.000 0.640 0.000) 0.640 13.369 ( 0.000 0.047 0.000) 0.047 13.482 ( 0.000 0.380 0.000) 0.380 13.524 ( 0.000 1.938 0.000) 1.938 13.548 ( 0.000 6.455 0.000) 6.455 13.558 ( 0.000 2.599 0.000) 2.599 13.566 ( 0.000 -0.314 0.000) 0.314 13.601 ( 0.000 5.403 0.000) 5.403 13.644 ( 0.000 -1.255 0.000) 1.255 13.776 ( 0.000 -0.681 0.000) 0.681 13.938 ( 0.000 -10.310 0.000) 10.310 14.031 ( 0.000 -7.576 0.000) 7.576 14.158 ( 0.000 2.818 0.000) 2.818 14.279 ( 0.000 -1.816 0.000) 1.816 14.981 ( 0.000 2.589 0.000) 2.589 15.039 ( 0.000 2.315 0.000) 2.315 15.088 ( 0.000 -0.838 0.000) 0.838 15.148 ( 0.000 -1.940 0.000) 1.940 15.414 ( 0.000 10.518 0.000) 10.518 15.856 ( 0.000 -7.058 0.000) 7.058 16.057 ( 0.000 2.651 0.000) 2.651 16.187 ( 0.000 -2.390 0.000) 2.390 ======================= Grid point 10 (7/60) ======================= q-point: ( 0.12 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.409 ( 9.290 10.442 0.000) 13.976 0.425 ( 10.516 9.802 0.000) 14.376 0.755 ( 7.984 -5.230 0.000) 9.544 0.854 ( 2.865 -8.671 0.000) 9.132 0.880 ( 15.396 17.146 0.000) 23.044 1.086 ( 1.626 2.040 0.000) 2.609 1.119 ( -0.654 1.490 0.000) 1.627 1.167 ( 1.665 -1.243 0.000) 2.078 1.224 ( 3.272 2.134 0.000) 3.907 1.269 ( -0.590 3.079 0.000) 3.135 1.322 ( -1.626 0.660 0.000) 1.755 1.327 ( 1.662 1.338 0.000) 2.133 1.394 ( 0.345 -4.457 0.000) 4.471 1.403 ( 0.530 -1.381 0.000) 1.479 1.501 ( 2.114 -2.606 0.000) 3.356 1.544 ( 1.185 1.840 0.000) 2.188 1.548 ( 0.470 0.161 0.000) 0.496 1.564 ( -2.307 -8.080 0.000) 8.403 1.609 ( -0.478 -1.804 0.000) 1.867 1.612 ( 0.924 0.127 0.000) 0.933 1.641 ( 0.468 4.392 0.000) 4.417 1.732 ( -0.593 2.040 0.000) 2.124 1.733 ( 0.350 4.194 0.000) 4.209 1.769 ( -0.606 1.846 0.000) 1.943 1.841 ( 0.365 -0.298 0.000) 0.471 1.854 ( -2.310 0.712 0.000) 2.417 1.883 ( 0.622 0.747 0.000) 0.972 1.893 ( 0.442 -1.551 0.000) 1.612 1.931 ( 4.414 -2.799 0.000) 5.227 1.941 ( 1.195 -1.164 0.000) 1.668 1.962 ( 1.263 -2.052 0.000) 2.409 1.965 ( -2.212 0.723 0.000) 2.327 2.032 ( 0.905 -2.422 0.000) 2.586 2.050 ( -2.221 -0.948 0.000) 2.415 2.098 ( -1.091 -2.260 0.000) 2.510 2.101 ( 1.896 1.129 0.000) 2.207 2.135 ( 0.023 -5.243 0.000) 5.243 2.157 ( 1.432 -1.798 0.000) 2.299 2.167 ( -2.560 3.837 0.000) 4.613 2.220 ( -0.725 1.583 0.000) 1.741 2.371 ( 0.248 3.879 0.000) 3.887 2.384 ( -0.632 2.900 0.000) 2.968 2.408 ( 0.666 1.920 0.000) 2.032 2.440 ( -0.431 1.092 0.000) 1.174 2.459 ( -0.535 4.496 0.000) 4.528 2.484 ( -0.341 0.008 0.000) 0.341 2.499 ( -1.184 1.046 0.000) 1.579 2.522 ( -1.383 1.147 0.000) 1.797 2.538 ( 1.504 1.958 0.000) 2.469 2.683 ( -3.329 -8.524 0.000) 9.151 2.740 ( -2.613 -2.049 0.000) 3.320 2.778 ( -1.772 0.228 0.000) 1.787 2.815 ( -3.049 -5.775 0.000) 6.531 2.884 ( -0.065 -8.164 0.000) 8.164 2.920 ( 0.060 -4.516 0.000) 4.516 2.944 ( -0.578 -0.366 0.000) 0.684 2.951 ( -1.612 2.685 0.000) 3.131 3.023 ( -0.449 -0.848 0.000) 0.959 3.126 ( -2.407 5.489 0.000) 5.993 3.169 ( -5.226 2.115 0.000) 5.638 3.219 ( -3.159 9.694 0.000) 10.196 3.291 ( -1.023 -1.023 0.000) 1.446 3.384 ( -6.483 -4.615 0.000) 7.958 3.437 ( 4.774 -0.217 0.000) 4.779 3.535 ( 5.000 1.323 0.000) 5.173 3.604 ( 4.912 -2.502 0.000) 5.513 3.827 ( -2.929 2.175 0.000) 3.648 3.847 ( -3.577 -1.498 0.000) 3.878 3.943 ( 1.218 2.065 0.000) 2.397 4.062 ( 2.146 -1.527 0.000) 2.633 4.114 ( 6.467 7.265 0.000) 9.727 4.119 ( -0.170 -5.506 0.000) 5.509 4.204 ( 1.399 1.463 0.000) 2.024 4.243 ( 2.787 -6.979 0.000) 7.515 4.406 ( -4.120 -3.549 0.000) 5.438 4.499 ( -1.835 -2.288 0.000) 2.932 4.538 ( -0.729 0.630 0.000) 0.964 4.609 ( 2.260 10.413 0.000) 10.655 4.647 ( 1.810 -5.712 0.000) 5.992 4.817 ( -4.577 2.337 0.000) 5.139 5.111 ( -0.871 4.326 0.000) 4.413 5.120 ( -0.290 2.625 0.000) 2.641 5.193 ( -8.862 5.829 0.000) 10.607 5.218 ( -2.800 -0.602 0.000) 2.864 6.993 ( 1.795 0.873 0.000) 1.996 7.088 ( 2.521 -4.135 0.000) 4.843 7.128 ( 1.131 -4.587 0.000) 4.724 7.143 ( 5.349 -6.740 0.000) 8.605 7.425 ( -0.327 4.774 0.000) 4.785 7.453 ( 5.991 -1.329 0.000) 6.137 7.574 ( 3.089 -2.522 0.000) 3.988 7.606 ( 3.211 -2.776 0.000) 4.244 10.167 ( -0.276 4.834 0.000) 4.842 10.470 ( -0.987 -7.792 0.000) 7.854 10.583 ( -2.573 0.912 0.000) 2.730 10.646 ( -4.355 -1.124 0.000) 4.498 10.769 ( 3.758 0.376 0.000) 3.777 10.815 ( 1.718 -0.765 0.000) 1.880 11.157 ( -1.488 3.288 0.000) 3.609 11.253 ( 1.002 -0.970 0.000) 1.394 11.371 ( 0.338 7.015 0.000) 7.024 11.645 ( -2.600 -4.188 0.000) 4.929 11.743 ( 0.289 1.312 0.000) 1.344 11.819 ( -1.466 -1.304 0.000) 1.962 12.796 ( 3.049 1.713 0.000) 3.498 12.897 ( 2.427 -2.249 0.000) 3.309 12.915 ( 5.114 2.671 0.000) 5.769 13.013 ( -0.147 5.510 0.000) 5.512 13.144 ( 1.291 -8.343 0.000) 8.443 13.252 ( -4.681 -4.078 0.000) 6.208 13.296 ( -2.120 2.291 0.000) 3.121 13.467 ( -2.848 2.649 0.000) 3.889 13.474 ( 1.787 -7.652 0.000) 7.858 13.508 ( -2.797 4.363 0.000) 5.183 13.527 ( 2.378 -0.709 0.000) 2.481 13.536 ( -0.877 -1.465 0.000) 1.708 13.581 ( -0.579 5.541 0.000) 5.571 13.618 ( 3.887 1.864 0.000) 4.311 13.625 ( -1.462 -0.452 0.000) 1.531 13.772 ( -0.469 -0.291 0.000) 0.552 13.956 ( 1.607 -9.535 0.000) 9.670 13.985 ( -4.830 -6.568 0.000) 8.152 14.135 ( -6.427 3.362 0.000) 7.253 14.209 ( -1.546 -3.396 0.000) 3.731 15.009 ( 2.728 1.748 0.000) 3.240 15.043 ( 0.402 2.370 0.000) 2.404 15.086 ( -0.192 -0.545 0.000) 0.578 15.168 ( 1.598 -2.381 0.000) 2.867 15.423 ( 0.949 10.030 0.000) 10.075 15.741 ( -17.042 23.462 0.000) 28.998 15.840 ( -1.574 -6.697 0.000) 6.880 16.136 ( -4.985 -3.268 0.000) 5.961 ======================= Grid point 11 (8/60) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.612 ( 10.833 6.166 0.000) 12.465 0.622 ( 10.163 8.559 0.000) 13.287 0.929 ( 4.632 -7.331 0.000) 8.671 0.931 ( 8.067 -6.431 0.000) 10.317 1.115 ( 1.018 1.737 0.000) 2.014 1.129 ( 2.461 2.939 0.000) 3.833 1.132 ( 7.793 2.881 0.000) 8.309 1.189 ( -0.291 0.919 0.000) 0.964 1.252 ( -1.103 1.947 0.000) 2.238 1.274 ( 1.756 1.070 0.000) 2.057 1.334 ( 3.362 -1.322 0.000) 3.612 1.369 ( 2.463 -0.338 0.000) 2.486 1.409 ( -0.418 -2.642 0.000) 2.675 1.437 ( 1.409 -0.096 0.000) 1.413 1.512 ( -1.933 -5.650 0.000) 5.971 1.535 ( 2.224 -0.238 0.000) 2.237 1.558 ( 0.296 0.590 0.000) 0.660 1.587 ( 2.599 0.452 0.000) 2.638 1.605 ( 0.622 -0.619 0.000) 0.878 1.610 ( 1.587 1.849 0.000) 2.436 1.673 ( 2.568 5.137 0.000) 5.743 1.707 ( -1.586 2.284 0.000) 2.780 1.763 ( 2.243 2.206 0.000) 3.146 1.775 ( 0.036 0.363 0.000) 0.365 1.800 ( -2.878 -0.697 0.000) 2.961 1.838 ( -0.598 1.470 0.000) 1.587 1.891 ( -1.824 -1.539 0.000) 2.386 1.901 ( 1.234 1.706 0.000) 2.106 1.931 ( 0.707 2.045 0.000) 2.164 1.966 ( 1.144 -0.474 0.000) 1.239 1.980 ( -1.486 1.480 0.000) 2.097 2.005 ( 0.207 -3.595 0.000) 3.601 2.030 ( 3.762 -2.255 0.000) 4.386 2.060 ( -1.571 -1.175 0.000) 1.962 2.076 ( 3.208 -3.060 0.000) 4.433 2.115 ( -2.441 3.674 0.000) 4.411 2.122 ( -0.428 0.684 0.000) 0.807 2.128 ( -0.508 -5.077 0.000) 5.102 2.187 ( 1.528 -2.460 0.000) 2.896 2.209 ( 0.081 -0.784 0.000) 0.788 2.351 ( -2.647 1.765 0.000) 3.182 2.378 ( 0.206 2.060 0.000) 2.070 2.430 ( -1.233 2.592 0.000) 2.870 2.431 ( -1.390 -0.211 0.000) 1.405 2.441 ( -0.112 -0.922 0.000) 0.928 2.444 ( 0.266 2.616 0.000) 2.629 2.498 ( -0.251 2.542 0.000) 2.554 2.517 ( 1.777 1.826 0.000) 2.547 2.573 ( 1.466 3.749 0.000) 4.026 2.607 ( -4.520 -6.144 0.000) 7.628 2.669 ( -4.023 -1.059 0.000) 4.160 2.710 ( -5.219 -3.838 0.000) 6.478 2.738 ( -4.470 -1.731 0.000) 4.793 2.858 ( -2.855 1.403 0.000) 3.182 2.898 ( -3.926 3.065 0.000) 4.981 2.905 ( 0.116 -5.234 0.000) 5.235 2.962 ( 0.498 -6.362 0.000) 6.382 2.967 ( -5.627 2.299 0.000) 6.079 3.062 ( -4.816 -0.899 0.000) 4.899 3.082 ( -2.186 -0.109 0.000) 2.189 3.214 ( 4.104 11.026 0.000) 11.765 3.260 ( -4.162 -0.506 0.000) 4.193 3.312 ( 2.391 -1.328 0.000) 2.735 3.533 ( 3.400 2.941 0.000) 4.496 3.652 ( 6.531 0.806 0.000) 6.580 3.703 ( 5.063 -2.031 0.000) 5.455 3.750 ( -4.718 0.745 0.000) 4.776 3.765 ( -2.647 -6.272 0.000) 6.807 3.958 ( 0.244 1.918 0.000) 1.933 4.124 ( -0.455 -7.034 0.000) 7.048 4.127 ( 4.138 -0.844 0.000) 4.223 4.192 ( -4.093 0.907 0.000) 4.192 4.251 ( 5.571 5.154 0.000) 7.589 4.286 ( 2.193 -8.237 0.000) 8.524 4.324 ( -2.397 -2.122 0.000) 3.202 4.448 ( -3.081 -0.695 0.000) 3.158 4.518 ( -1.066 1.477 0.000) 1.821 4.646 ( 1.545 10.696 0.000) 10.807 4.695 ( 2.897 -4.710 0.000) 5.530 4.738 ( -3.056 8.042 0.000) 8.603 5.039 ( -4.377 3.573 0.000) 5.650 5.088 ( -1.638 1.627 0.000) 2.309 5.143 ( -4.488 0.197 0.000) 4.492 5.151 ( -0.372 -1.850 0.000) 1.887 7.033 ( 2.142 0.103 0.000) 2.144 7.117 ( 1.154 -2.459 0.000) 2.716 7.156 ( 1.536 -5.648 0.000) 5.853 7.198 ( 1.160 -3.286 0.000) 3.484 7.436 ( 1.485 7.151 0.000) 7.304 7.527 ( 1.764 -0.776 0.000) 1.927 7.628 ( 2.087 -1.689 0.000) 2.685 7.666 ( 2.508 -3.184 0.000) 4.053 10.170 ( 0.911 4.311 0.000) 4.406 10.448 ( -1.084 -7.379 0.000) 7.458 10.531 ( -3.034 0.676 0.000) 3.108 10.540 ( -5.601 0.740 0.000) 5.650 10.832 ( 0.643 0.022 0.000) 0.643 10.872 ( 6.138 -1.949 0.000) 6.440 11.100 ( -4.317 5.516 0.000) 7.004 11.276 ( 0.857 -2.191 0.000) 2.353 11.404 ( 3.261 4.440 0.000) 5.509 11.583 ( -3.078 -2.871 0.000) 4.209 11.745 ( -0.550 0.710 0.000) 0.898 11.788 ( -1.945 -0.335 0.000) 1.973 12.884 ( 5.830 1.340 0.000) 5.982 12.954 ( 2.686 -1.454 0.000) 3.055 13.000 ( 2.715 1.262 0.000) 2.994 13.032 ( 2.939 2.973 0.000) 4.181 13.135 ( -1.576 -5.342 0.000) 5.570 13.163 ( -3.839 -2.343 0.000) 4.498 13.265 ( -1.203 1.832 0.000) 2.192 13.387 ( -6.099 -0.032 0.000) 6.099 13.409 ( -2.953 2.274 0.000) 3.727 13.468 ( -0.633 2.973 0.000) 3.040 13.499 ( -2.842 2.997 0.000) 4.130 13.522 ( -3.660 -2.128 0.000) 4.233 13.604 ( 0.031 1.550 0.000) 1.551 13.629 ( 0.401 -6.381 0.000) 6.393 13.711 ( 4.183 -1.408 0.000) 4.413 13.766 ( 0.984 2.095 0.000) 2.315 13.851 ( -7.414 -4.994 0.000) 8.939 13.990 ( 1.644 -7.007 0.000) 7.197 13.991 ( -5.889 4.524 0.000) 7.426 14.198 ( -1.289 -6.618 0.000) 6.743 15.053 ( 0.522 2.599 0.000) 2.651 15.074 ( 2.414 0.269 0.000) 2.429 15.085 ( 1.203 0.200 0.000) 1.219 15.193 ( 0.749 -1.492 0.000) 1.670 15.457 ( 2.839 8.173 0.000) 8.652 15.563 ( -2.800 17.884 0.000) 18.102 15.796 ( -2.973 -5.521 0.000) 6.271 16.009 ( -7.719 -4.086 0.000) 8.734 ======================= Grid point 12 (9/60) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( 8.929 3.901 0.000) 9.744 0.820 ( 9.775 5.350 0.000) 11.143 1.006 ( -0.101 -2.300 0.000) 2.302 1.021 ( 3.924 -5.216 0.000) 6.527 1.146 ( -1.853 2.339 0.000) 2.984 1.170 ( 3.008 -0.399 0.000) 3.034 1.181 ( 1.412 1.952 0.000) 2.409 1.217 ( 0.442 -1.151 0.000) 1.232 1.234 ( 1.541 2.381 0.000) 2.836 1.329 ( 3.036 -0.024 0.000) 3.037 1.357 ( -3.146 -0.142 0.000) 3.150 1.399 ( 1.126 -0.623 0.000) 1.287 1.424 ( 1.274 -0.221 0.000) 1.293 1.436 ( 3.251 -3.768 0.000) 4.977 1.508 ( 0.691 -3.570 0.000) 3.636 1.532 ( -0.805 -3.173 0.000) 3.273 1.551 ( -1.266 1.665 0.000) 2.092 1.593 ( -1.150 0.956 0.000) 1.495 1.666 ( 3.448 -1.652 0.000) 3.824 1.694 ( 2.285 -1.818 0.000) 2.920 1.695 ( 0.971 1.588 0.000) 1.862 1.722 ( 1.812 4.706 0.000) 5.043 1.739 ( -2.942 -0.777 0.000) 3.042 1.740 ( -1.324 2.729 0.000) 3.033 1.804 ( 0.470 -0.379 0.000) 0.604 1.826 ( -0.870 2.300 0.000) 2.459 1.852 ( -1.167 -1.686 0.000) 2.050 1.909 ( -2.796 1.148 0.000) 3.023 1.929 ( 0.168 2.433 0.000) 2.438 1.953 ( -0.006 1.261 0.000) 1.261 1.999 ( -1.390 0.541 0.000) 1.492 2.035 ( -0.561 -1.007 0.000) 1.153 2.037 ( 1.786 1.013 0.000) 2.053 2.064 ( 0.452 1.173 0.000) 1.257 2.092 ( 1.416 2.213 0.000) 2.628 2.101 ( -1.007 -1.667 0.000) 1.948 2.119 ( 3.568 -0.466 0.000) 3.598 2.173 ( 3.342 -2.357 0.000) 4.089 2.209 ( 1.128 -5.008 0.000) 5.133 2.243 ( 2.740 -3.412 0.000) 4.376 2.299 ( -1.938 2.841 0.000) 3.439 2.377 ( -0.050 0.720 0.000) 0.721 2.393 ( -1.246 1.027 0.000) 1.614 2.401 ( -0.922 -0.081 0.000) 0.926 2.452 ( 0.300 -0.943 0.000) 0.989 2.460 ( 0.669 0.028 0.000) 0.669 2.497 ( -5.205 -2.146 0.000) 5.630 2.517 ( 1.104 -0.382 0.000) 1.168 2.571 ( 2.142 2.101 0.000) 3.001 2.588 ( -0.728 0.643 0.000) 0.971 2.606 ( -2.357 -1.744 0.000) 2.932 2.617 ( -3.396 -1.354 0.000) 3.656 2.642 ( -3.505 1.132 0.000) 3.683 2.793 ( -3.247 2.120 0.000) 3.878 2.806 ( -4.707 2.203 0.000) 5.197 2.847 ( -6.506 6.201 0.000) 8.988 2.908 ( 0.107 -2.730 0.000) 2.732 2.960 ( -3.946 -3.830 0.000) 5.499 2.982 ( 1.859 -4.169 0.000) 4.565 3.058 ( -1.353 -2.718 0.000) 3.036 3.228 ( 0.873 3.317 0.000) 3.430 3.327 ( 3.013 5.291 0.000) 6.088 3.386 ( 4.928 -2.106 0.000) 5.359 3.550 ( 3.175 7.859 0.000) 8.476 3.635 ( -6.231 -0.892 0.000) 6.294 3.776 ( 5.659 0.156 0.000) 5.662 3.798 ( 5.003 -2.401 0.000) 5.549 3.820 ( 5.143 -7.453 0.000) 9.055 3.956 ( -0.324 -1.691 0.000) 1.722 4.020 ( -12.018 3.148 0.000) 12.423 4.078 ( -2.624 -5.596 0.000) 6.181 4.221 ( 4.977 0.533 0.000) 5.005 4.247 ( -4.762 -4.566 0.000) 6.597 4.337 ( 2.730 -6.447 0.000) 7.002 4.348 ( 0.736 2.024 0.000) 2.154 4.401 ( -1.483 0.257 0.000) 1.505 4.524 ( 2.465 5.173 0.000) 5.730 4.652 ( -1.783 9.974 0.000) 10.132 4.722 ( 2.087 7.737 0.000) 8.013 4.753 ( 2.743 -2.278 0.000) 3.566 4.970 ( -2.948 1.592 0.000) 3.350 5.013 ( -5.473 1.153 0.000) 5.594 5.095 ( -0.343 -1.200 0.000) 1.248 5.133 ( -1.399 -3.811 0.000) 4.060 7.077 ( 2.404 -0.423 0.000) 2.441 7.133 ( 0.320 -1.936 0.000) 1.963 7.181 ( 0.901 -5.297 0.000) 5.373 7.204 ( -0.416 -2.477 0.000) 2.512 7.474 ( 2.158 7.036 0.000) 7.359 7.534 ( -0.670 2.329 0.000) 2.423 7.661 ( 1.483 -1.622 0.000) 2.198 7.694 ( 0.386 -2.852 0.000) 2.877 10.210 ( 3.342 3.460 0.000) 4.811 10.415 ( -6.374 1.688 0.000) 6.593 10.436 ( -0.031 -6.058 0.000) 6.058 10.487 ( -2.251 -1.128 0.000) 2.518 10.852 ( 1.848 2.685 0.000) 3.260 11.003 ( -5.233 6.485 0.000) 8.333 11.004 ( 7.226 -3.271 0.000) 7.932 11.255 ( -3.649 -4.027 0.000) 5.435 11.495 ( 5.843 2.080 0.000) 6.202 11.562 ( 1.562 -0.704 0.000) 1.714 11.709 ( -3.246 0.376 0.000) 3.268 11.729 ( -4.337 0.042 0.000) 4.337 12.982 ( 1.935 -0.652 0.000) 2.042 13.016 ( 5.210 -0.985 0.000) 5.302 13.023 ( 0.066 -0.310 0.000) 0.317 13.098 ( -1.801 -3.871 0.000) 4.269 13.125 ( 0.847 1.413 0.000) 1.648 13.133 ( 6.762 1.696 0.000) 6.971 13.253 ( 0.498 1.394 0.000) 1.480 13.278 ( -4.867 2.568 0.000) 5.503 13.362 ( -1.486 0.482 0.000) 1.562 13.421 ( -5.957 -0.962 0.000) 6.035 13.443 ( -3.346 1.892 0.000) 3.844 13.480 ( -2.411 -0.048 0.000) 2.412 13.534 ( -4.533 1.533 0.000) 4.785 13.599 ( -0.923 1.466 0.000) 1.733 13.725 ( -0.630 -2.278 0.000) 2.363 13.759 ( -2.915 -6.490 0.000) 7.114 13.853 ( 5.390 0.190 0.000) 5.394 13.926 ( -0.896 2.020 0.000) 2.210 14.017 ( 1.423 -3.389 0.000) 3.676 14.149 ( -3.704 -5.025 0.000) 6.243 15.062 ( 0.415 2.743 0.000) 2.774 15.075 ( -0.274 1.362 0.000) 1.390 15.146 ( 2.764 -0.066 0.000) 2.765 15.197 ( -0.254 0.281 0.000) 0.379 15.541 ( 5.791 4.275 0.000) 7.198 15.572 ( 2.693 7.576 0.000) 8.041 15.728 ( -3.900 -3.206 0.000) 5.049 15.848 ( -8.588 -3.032 0.000) 9.107 ======================= Grid point 13 (10/60) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( -2.884 2.217 0.000) 3.638 0.939 ( 2.884 2.217 0.000) 3.638 1.001 ( -4.024 1.004 0.000) 4.147 1.001 ( 4.024 1.004 0.000) 4.147 1.159 ( -0.981 -0.516 0.000) 1.108 1.159 ( 0.981 -0.516 0.000) 1.108 1.209 ( -0.200 -0.505 0.000) 0.543 1.209 ( 0.200 -0.505 0.000) 0.543 1.288 ( -2.533 2.081 0.000) 3.278 1.288 ( 2.533 2.081 0.000) 3.278 1.383 ( -0.394 -0.235 0.000) 0.458 1.383 ( 0.394 -0.235 0.000) 0.458 1.486 ( -0.703 -3.332 0.000) 3.406 1.486 ( 0.703 -3.332 0.000) 3.406 1.499 ( -0.719 -3.945 0.000) 4.010 1.499 ( 0.719 -3.945 0.000) 4.010 1.560 ( -1.404 1.517 0.000) 2.067 1.560 ( 1.404 1.517 0.000) 2.067 1.678 ( -0.012 -2.372 0.000) 2.372 1.678 ( 0.012 -2.372 0.000) 2.372 1.725 ( -1.529 1.341 0.000) 2.033 1.725 ( 1.529 1.341 0.000) 2.033 1.740 ( -0.110 2.293 0.000) 2.296 1.740 ( 0.110 2.293 0.000) 2.296 1.819 ( -0.007 0.425 0.000) 0.425 1.819 ( 0.007 0.425 0.000) 0.425 1.849 ( -0.658 0.298 0.000) 0.723 1.849 ( 0.658 0.298 0.000) 0.723 1.960 ( -0.633 2.139 0.000) 2.230 1.960 ( 0.633 2.139 0.000) 2.230 1.967 ( -0.692 1.741 0.000) 1.874 1.967 ( 0.692 1.741 0.000) 1.874 2.052 ( -0.862 -1.694 0.000) 1.900 2.052 ( 0.862 -1.694 0.000) 1.900 2.114 ( -0.299 0.741 0.000) 0.799 2.114 ( 0.299 0.741 0.000) 0.799 2.208 ( -2.061 0.237 0.000) 2.075 2.208 ( 2.061 0.237 0.000) 2.075 2.245 ( -0.569 -1.390 0.000) 1.502 2.245 ( 0.569 -1.390 0.000) 1.502 2.320 ( -3.198 -1.051 0.000) 3.366 2.320 ( 3.198 -1.051 0.000) 3.366 2.397 ( -0.375 1.433 0.000) 1.481 2.397 ( 0.375 1.433 0.000) 1.481 2.448 ( -1.635 -2.697 0.000) 3.154 2.448 ( 1.635 -2.697 0.000) 3.154 2.501 ( -0.190 -2.003 0.000) 2.012 2.501 ( 0.190 -2.003 0.000) 2.012 2.554 ( -0.135 -0.958 0.000) 0.967 2.554 ( 0.135 -0.958 0.000) 0.967 2.580 ( -0.002 -1.175 0.000) 1.175 2.580 ( 0.002 -1.175 0.000) 1.175 2.712 ( -4.763 5.234 0.000) 7.077 2.712 ( 4.763 5.234 0.000) 7.077 2.760 ( -0.017 3.334 0.000) 3.334 2.760 ( 0.017 3.334 0.000) 3.334 2.917 ( -0.099 -2.828 0.000) 2.830 2.917 ( 0.099 -2.828 0.000) 2.830 3.023 ( -0.649 -2.706 0.000) 2.782 3.023 ( 0.649 -2.706 0.000) 2.782 3.283 ( -1.927 3.707 0.000) 4.177 3.283 ( 1.927 3.707 0.000) 4.177 3.498 ( -4.820 -2.151 0.000) 5.278 3.498 ( 4.820 -2.151 0.000) 5.278 3.759 ( -13.555 6.391 0.000) 14.986 3.759 ( 13.555 6.391 0.000) 14.986 3.849 ( -0.414 -0.681 0.000) 0.797 3.849 ( 0.414 -0.681 0.000) 0.797 3.907 ( -2.754 -5.023 0.000) 5.729 3.907 ( 2.754 -5.023 0.000) 5.729 4.122 ( -5.569 -4.884 0.000) 7.407 4.122 ( 5.569 -4.884 0.000) 7.407 4.310 ( -3.323 0.614 0.000) 3.379 4.310 ( 3.323 0.614 0.000) 3.379 4.378 ( -0.186 -2.759 0.000) 2.766 4.378 ( 0.186 -2.759 0.000) 2.766 4.594 ( -3.127 8.243 0.000) 8.816 4.594 ( 3.127 8.243 0.000) 8.816 4.774 ( -0.716 2.447 0.000) 2.549 4.774 ( 0.716 2.447 0.000) 2.549 4.939 ( -0.767 1.708 0.000) 1.872 4.939 ( 0.767 1.708 0.000) 1.872 5.105 ( -1.131 -3.561 0.000) 3.736 5.105 ( 1.131 -3.561 0.000) 3.736 7.120 ( -0.771 -1.272 0.000) 1.488 7.120 ( 0.771 -1.272 0.000) 1.488 7.193 ( -0.033 -3.524 0.000) 3.525 7.193 ( 0.033 -3.524 0.000) 3.525 7.511 ( -0.255 5.011 0.000) 5.017 7.511 ( 0.255 5.011 0.000) 5.017 7.686 ( -0.118 -2.211 0.000) 2.215 7.686 ( 0.118 -2.211 0.000) 2.215 10.298 ( -5.069 2.522 0.000) 5.662 10.298 ( 5.069 2.522 0.000) 5.662 10.450 ( -1.366 -3.768 0.000) 4.008 10.450 ( 1.366 -3.768 0.000) 4.008 10.910 ( -2.340 5.369 0.000) 5.857 10.910 ( 2.340 5.369 0.000) 5.857 11.145 ( -5.814 -4.126 0.000) 7.129 11.145 ( 5.814 -4.126 0.000) 7.129 11.618 ( -5.848 0.572 0.000) 5.876 11.618 ( 5.848 0.572 0.000) 5.876 11.631 ( -2.409 0.160 0.000) 2.415 11.631 ( 2.409 0.160 0.000) 2.415 13.009 ( -0.179 -1.120 0.000) 1.134 13.009 ( 0.179 -1.120 0.000) 1.134 13.071 ( -0.348 -2.933 0.000) 2.953 13.071 ( 0.348 -2.933 0.000) 2.953 13.194 ( -1.672 4.889 0.000) 5.167 13.194 ( 1.672 4.889 0.000) 5.167 13.288 ( -3.747 0.351 0.000) 3.764 13.288 ( 3.747 0.351 0.000) 3.764 13.313 ( -0.873 1.228 0.000) 1.507 13.313 ( 0.873 1.228 0.000) 1.507 13.381 ( -2.351 -0.917 0.000) 2.524 13.381 ( 2.351 -0.917 0.000) 2.524 13.565 ( -2.015 1.658 0.000) 2.610 13.565 ( 2.015 1.658 0.000) 2.610 13.722 ( -0.114 -3.329 0.000) 3.331 13.722 ( 0.114 -3.329 0.000) 3.331 13.919 ( -0.066 -1.432 0.000) 1.433 13.919 ( 0.066 -1.432 0.000) 1.433 14.068 ( -0.740 -2.008 0.000) 2.140 14.068 ( 0.740 -2.008 0.000) 2.140 15.069 ( -0.007 2.329 0.000) 2.329 15.069 ( 0.007 2.329 0.000) 2.329 15.184 ( -0.109 0.539 0.000) 0.550 15.184 ( 0.109 0.539 0.000) 0.550 15.638 ( -0.425 0.644 0.000) 0.772 15.638 ( 0.425 0.644 0.000) 0.772 15.688 ( -2.048 0.035 0.000) 2.049 15.688 ( 2.048 0.035 0.000) 2.049 ======================= Grid point 18 (11/60) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.493 ( 0.000 -10.407 0.000) 10.407 0.493 ( 0.000 10.407 0.000) 10.407 0.591 ( 0.000 -13.343 0.000) 13.343 0.591 ( 0.000 13.343 0.000) 13.343 1.106 ( 0.000 -2.232 0.000) 2.232 1.106 ( 0.000 2.232 0.000) 2.232 1.154 ( 0.000 -8.756 0.000) 8.756 1.154 ( 0.000 8.756 0.000) 8.756 1.253 ( 0.000 -5.826 0.000) 5.826 1.253 ( 0.000 5.826 0.000) 5.826 1.318 ( 0.000 -2.264 0.000) 2.264 1.318 ( 0.000 2.264 0.000) 2.264 1.356 ( 0.000 -2.649 0.000) 2.649 1.356 ( 0.000 2.649 0.000) 2.649 1.405 ( 0.000 -8.046 0.000) 8.046 1.405 ( 0.000 8.046 0.000) 8.046 1.581 ( 0.000 -1.707 0.000) 1.707 1.581 ( 0.000 1.707 0.000) 1.707 1.600 ( 0.000 -0.232 0.000) 0.232 1.600 ( 0.000 0.232 0.000) 0.232 1.777 ( 0.000 -4.527 0.000) 4.527 1.777 ( 0.000 4.527 0.000) 4.527 1.786 ( 0.000 -3.572 0.000) 3.572 1.786 ( 0.000 3.572 0.000) 3.572 1.819 ( 0.000 -1.291 0.000) 1.291 1.819 ( 0.000 1.291 0.000) 1.291 1.862 ( 0.000 -1.012 0.000) 1.012 1.862 ( 0.000 1.012 0.000) 1.012 1.912 ( 0.000 -1.601 0.000) 1.601 1.912 ( 0.000 1.601 0.000) 1.601 1.967 ( 0.000 -7.129 0.000) 7.129 1.967 ( 0.000 7.129 0.000) 7.129 2.006 ( 0.000 -1.177 0.000) 1.177 2.006 ( 0.000 1.177 0.000) 1.177 2.074 ( 0.000 -0.996 0.000) 0.996 2.074 ( 0.000 0.996 0.000) 0.996 2.103 ( 0.000 -1.550 0.000) 1.550 2.103 ( 0.000 1.550 0.000) 1.550 2.240 ( 0.000 -0.955 0.000) 0.955 2.240 ( 0.000 0.955 0.000) 0.955 2.427 ( 0.000 -0.584 0.000) 0.584 2.427 ( 0.000 0.584 0.000) 0.584 2.453 ( 0.000 -0.009 0.000) 0.009 2.453 ( 0.000 0.009 0.000) 0.009 2.489 ( 0.000 -1.465 0.000) 1.465 2.489 ( 0.000 1.465 0.000) 1.465 2.553 ( 0.000 -6.704 0.000) 6.704 2.553 ( 0.000 6.704 0.000) 6.704 2.628 ( 0.000 -8.101 0.000) 8.101 2.628 ( 0.000 8.101 0.000) 8.101 2.642 ( 0.000 -7.914 0.000) 7.914 2.642 ( 0.000 7.914 0.000) 7.914 2.821 ( 0.000 -0.314 0.000) 0.314 2.821 ( 0.000 0.314 0.000) 0.314 2.912 ( 0.000 -2.124 0.000) 2.124 2.912 ( 0.000 2.124 0.000) 2.124 3.009 ( 0.000 -1.735 0.000) 1.735 3.009 ( 0.000 1.735 0.000) 1.735 3.258 ( 0.000 -4.014 0.000) 4.014 3.258 ( 0.000 4.014 0.000) 4.014 3.331 ( 0.000 -5.463 0.000) 5.463 3.331 ( 0.000 5.463 0.000) 5.463 3.381 ( 0.000 -2.139 0.000) 2.139 3.381 ( 0.000 2.139 0.000) 2.139 3.504 ( 0.000 -1.001 0.000) 1.001 3.504 ( 0.000 1.001 0.000) 1.001 3.886 ( 0.000 -0.364 0.000) 0.364 3.886 ( 0.000 0.364 0.000) 0.364 3.963 ( 0.000 -2.868 0.000) 2.868 3.963 ( 0.000 2.868 0.000) 2.868 4.120 ( 0.000 -0.248 0.000) 0.248 4.120 ( 0.000 0.248 0.000) 0.248 4.190 ( 0.000 -3.520 0.000) 3.520 4.190 ( 0.000 3.520 0.000) 3.520 4.409 ( 0.000 -2.204 0.000) 2.204 4.409 ( 0.000 2.204 0.000) 2.204 4.569 ( 0.000 -1.561 0.000) 1.561 4.569 ( 0.000 1.561 0.000) 1.561 4.772 ( 0.000 -7.369 0.000) 7.369 4.772 ( 0.000 7.369 0.000) 7.369 5.209 ( 0.000 -3.086 0.000) 3.086 5.209 ( 0.000 3.086 0.000) 3.086 5.254 ( 0.000 -7.812 0.000) 7.812 5.254 ( 0.000 7.812 0.000) 7.812 6.999 ( 0.000 -4.000 0.000) 4.000 6.999 ( 0.000 4.000 0.000) 4.000 7.028 ( 0.000 -3.935 0.000) 3.935 7.028 ( 0.000 3.935 0.000) 3.935 7.468 ( 0.000 -4.436 0.000) 4.436 7.468 ( 0.000 4.436 0.000) 4.436 7.506 ( 0.000 -3.609 0.000) 3.609 7.506 ( 0.000 3.609 0.000) 3.609 10.309 ( 0.000 -8.222 0.000) 8.222 10.309 ( 0.000 8.222 0.000) 8.222 10.642 ( 0.000 -1.926 0.000) 1.926 10.642 ( 0.000 1.926 0.000) 1.926 10.771 ( 0.000 -1.038 0.000) 1.038 10.771 ( 0.000 1.038 0.000) 1.038 11.218 ( 0.000 -1.963 0.000) 1.963 11.218 ( 0.000 1.963 0.000) 1.963 11.542 ( 0.000 -7.925 0.000) 7.925 11.542 ( 0.000 7.925 0.000) 7.925 11.788 ( 0.000 -2.570 0.000) 2.570 11.788 ( 0.000 2.570 0.000) 2.570 12.816 ( 0.000 -2.899 0.000) 2.899 12.816 ( 0.000 2.899 0.000) 2.899 12.948 ( 0.000 -6.073 0.000) 6.073 12.948 ( 0.000 6.073 0.000) 6.073 13.178 ( 0.000 -7.900 0.000) 7.900 13.178 ( 0.000 7.900 0.000) 7.900 13.363 ( 0.000 -0.587 0.000) 0.587 13.363 ( 0.000 0.587 0.000) 0.587 13.519 ( 0.000 -2.387 0.000) 2.387 13.519 ( 0.000 2.387 0.000) 2.387 13.562 ( 0.000 -0.086 0.000) 0.086 13.562 ( 0.000 0.086 0.000) 0.086 13.608 ( 0.000 -2.218 0.000) 2.218 13.608 ( 0.000 2.218 0.000) 2.218 13.785 ( 0.000 -3.045 0.000) 3.045 13.785 ( 0.000 3.045 0.000) 3.045 13.830 ( 0.000 -11.678 0.000) 11.678 13.830 ( 0.000 11.678 0.000) 11.678 14.224 ( 0.000 -3.323 0.000) 3.323 14.224 ( 0.000 3.323 0.000) 3.323 15.043 ( 0.000 -3.117 0.000) 3.117 15.043 ( 0.000 3.117 0.000) 3.117 15.096 ( 0.000 -2.966 0.000) 2.966 15.096 ( 0.000 2.966 0.000) 2.966 15.658 ( 0.000 -11.878 0.000) 11.878 15.658 ( 0.000 11.878 0.000) 11.878 16.124 ( 0.000 -3.541 0.000) 3.541 16.124 ( 0.000 3.541 0.000) 3.541 ======================= Grid point 20 (12/60) ======================= q-point: ( 0.12 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.607 ( 9.478 -8.333 0.000) 12.620 0.607 ( 9.478 8.333 0.000) 12.620 0.642 ( 4.935 -11.618 0.000) 12.623 0.642 ( 4.935 11.618 0.000) 12.623 1.129 ( 2.218 -2.174 0.000) 3.106 1.129 ( 2.218 2.174 0.000) 3.106 1.137 ( -0.362 -4.000 0.000) 4.017 1.137 ( -0.362 4.000 0.000) 4.017 1.264 ( 0.863 -3.706 0.000) 3.806 1.264 ( 0.863 3.706 0.000) 3.806 1.353 ( -0.625 -2.851 0.000) 2.918 1.353 ( -0.625 2.851 0.000) 2.918 1.393 ( 5.886 -5.687 0.000) 8.185 1.393 ( 5.886 5.687 0.000) 8.185 1.397 ( -0.269 -6.012 0.000) 6.018 1.397 ( -0.269 6.012 0.000) 6.018 1.580 ( 0.134 -1.521 0.000) 1.527 1.580 ( 0.134 1.521 0.000) 1.527 1.598 ( -0.011 -1.517 0.000) 1.517 1.598 ( -0.011 1.517 0.000) 1.517 1.771 ( -0.500 -3.298 0.000) 3.336 1.771 ( -0.500 3.298 0.000) 3.336 1.780 ( -0.739 -1.596 0.000) 1.759 1.780 ( -0.739 1.596 0.000) 1.759 1.849 ( 2.652 -1.979 0.000) 3.308 1.849 ( 2.652 1.979 0.000) 3.308 1.865 ( -0.122 -0.786 0.000) 0.796 1.865 ( -0.122 0.786 0.000) 0.796 1.924 ( 1.494 -1.529 0.000) 2.138 1.924 ( 1.494 1.529 0.000) 2.138 1.960 ( -0.193 -5.557 0.000) 5.561 1.960 ( -0.193 5.557 0.000) 5.561 2.000 ( -0.112 -3.408 0.000) 3.410 2.000 ( -0.112 3.408 0.000) 3.410 2.059 ( -1.572 -1.407 0.000) 2.110 2.059 ( -1.572 1.407 0.000) 2.110 2.126 ( 1.646 -1.337 0.000) 2.121 2.126 ( 1.646 1.337 0.000) 2.121 2.225 ( -1.537 -1.336 0.000) 2.037 2.225 ( -1.537 1.336 0.000) 2.037 2.425 ( -0.484 -1.488 0.000) 1.565 2.425 ( -0.484 1.488 0.000) 1.565 2.442 ( -1.085 -1.569 0.000) 1.908 2.442 ( -1.085 1.569 0.000) 1.908 2.495 ( 0.354 -1.203 0.000) 1.254 2.495 ( 0.354 1.203 0.000) 1.254 2.526 ( -2.018 -5.869 0.000) 6.206 2.526 ( -2.018 5.869 0.000) 6.206 2.621 ( -0.423 -8.861 0.000) 8.871 2.621 ( -0.423 8.861 0.000) 8.871 2.654 ( 0.543 -6.274 0.000) 6.298 2.654 ( 0.543 6.274 0.000) 6.298 2.787 ( -2.446 -1.111 0.000) 2.686 2.787 ( -2.446 1.111 0.000) 2.686 2.920 ( -0.121 -1.623 0.000) 1.627 2.920 ( -0.121 1.623 0.000) 1.627 2.997 ( -1.395 -1.860 0.000) 2.325 2.997 ( -1.395 1.860 0.000) 2.325 3.208 ( -5.510 -1.156 0.000) 5.630 3.208 ( -5.510 1.156 0.000) 5.630 3.288 ( -2.326 -3.270 0.000) 4.013 3.288 ( -2.326 3.270 0.000) 4.013 3.388 ( 1.257 -5.734 0.000) 5.870 3.388 ( 1.257 5.734 0.000) 5.870 3.564 ( 5.013 -1.570 0.000) 5.253 3.564 ( 5.013 1.570 0.000) 5.253 3.844 ( -4.173 -0.686 0.000) 4.229 3.844 ( -4.173 0.686 0.000) 4.229 3.986 ( 1.769 -3.102 0.000) 3.571 3.986 ( 1.769 3.102 0.000) 3.571 4.123 ( 0.687 -3.896 0.000) 3.956 4.123 ( 0.687 3.896 0.000) 3.956 4.222 ( 2.454 -1.987 0.000) 3.158 4.222 ( 2.454 1.987 0.000) 3.158 4.402 ( -0.553 -4.974 0.000) 5.005 4.402 ( -0.553 4.974 0.000) 5.005 4.566 ( -0.116 -2.199 0.000) 2.202 4.566 ( -0.116 2.199 0.000) 2.202 4.784 ( 0.910 -5.773 0.000) 5.844 4.784 ( 0.910 5.773 0.000) 5.844 5.187 ( -2.206 -2.697 0.000) 3.484 5.187 ( -2.206 2.697 0.000) 3.484 5.197 ( -4.797 -3.803 0.000) 6.122 5.197 ( -4.797 3.803 0.000) 6.122 7.038 ( 0.975 -3.632 0.000) 3.761 7.038 ( 0.975 3.632 0.000) 3.761 7.053 ( 4.058 -1.310 0.000) 4.264 7.053 ( 4.058 1.310 0.000) 4.264 7.506 ( 3.327 -3.923 0.000) 5.144 7.506 ( 3.327 3.923 0.000) 5.144 7.527 ( 1.965 -4.791 0.000) 5.178 7.527 ( 1.965 4.791 0.000) 5.178 10.301 ( -0.687 -8.040 0.000) 8.069 10.301 ( -0.687 8.040 0.000) 8.069 10.612 ( -2.677 -1.805 0.000) 3.229 10.612 ( -2.677 1.805 0.000) 3.229 10.792 ( 1.808 -1.423 0.000) 2.301 10.792 ( 1.808 1.423 0.000) 2.301 11.219 ( 0.065 -2.466 0.000) 2.467 11.219 ( 0.065 2.466 0.000) 2.467 11.525 ( -1.453 -7.291 0.000) 7.435 11.525 ( -1.453 7.291 0.000) 7.435 11.781 ( -0.494 -2.172 0.000) 2.228 11.781 ( -0.494 2.172 0.000) 2.228 12.844 ( 2.779 -2.749 0.000) 3.909 12.844 ( 2.779 2.749 0.000) 3.909 12.998 ( 3.871 -5.683 0.000) 6.876 12.998 ( 3.871 5.683 0.000) 6.876 13.144 ( -2.776 -6.440 0.000) 7.013 13.144 ( -2.776 6.440 0.000) 7.013 13.357 ( -0.658 -3.851 0.000) 3.907 13.357 ( -0.658 3.851 0.000) 3.907 13.514 ( -1.170 -1.475 0.000) 1.883 13.514 ( -1.170 1.475 0.000) 1.883 13.528 ( -2.811 -0.571 0.000) 2.868 13.528 ( -2.811 0.571 0.000) 2.868 13.628 ( 1.901 -0.939 0.000) 2.120 13.628 ( 1.901 0.939 0.000) 2.120 13.795 ( -3.382 -11.177 0.000) 11.678 13.795 ( -3.382 11.177 0.000) 11.678 13.798 ( 1.482 -4.229 0.000) 4.481 13.798 ( 1.482 4.229 0.000) 4.481 14.176 ( -4.349 -1.247 0.000) 4.524 14.176 ( -4.349 1.247 0.000) 4.524 15.054 ( 1.062 -2.302 0.000) 2.536 15.054 ( 1.062 2.302 0.000) 2.536 15.105 ( 0.863 -3.411 0.000) 3.519 15.105 ( 0.863 3.411 0.000) 3.519 15.653 ( -0.464 -11.219 0.000) 11.229 15.653 ( -0.464 11.219 0.000) 11.229 16.027 ( -8.284 -8.102 0.000) 11.587 16.027 ( -8.284 8.102 0.000) 11.587 ======================= Grid point 22 (13/60) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.766 ( 7.403 -8.309 0.000) 11.129 0.766 ( 7.403 8.309 0.000) 11.129 0.790 ( 8.559 -7.541 0.000) 11.407 0.790 ( 8.559 7.541 0.000) 11.407 1.157 ( 1.964 -1.514 0.000) 2.480 1.157 ( 1.964 1.514 0.000) 2.480 1.178 ( 2.145 -1.779 0.000) 2.787 1.178 ( 2.145 1.779 0.000) 2.787 1.281 ( 1.030 -2.957 0.000) 3.131 1.281 ( 1.030 2.957 0.000) 3.131 1.330 ( -1.027 -4.056 0.000) 4.184 1.330 ( -1.027 4.056 0.000) 4.184 1.408 ( 1.097 -3.478 0.000) 3.647 1.408 ( 1.097 3.478 0.000) 3.647 1.476 ( 1.417 -3.283 0.000) 3.575 1.476 ( 1.417 3.283 0.000) 3.575 1.596 ( 1.528 -0.390 0.000) 1.577 1.596 ( 1.528 0.390 0.000) 1.577 1.616 ( 1.770 -1.971 0.000) 2.649 1.616 ( 1.770 1.971 0.000) 2.649 1.755 ( -1.885 -2.051 0.000) 2.785 1.755 ( -1.885 2.051 0.000) 2.785 1.763 ( -0.036 -1.684 0.000) 1.684 1.763 ( -0.036 1.684 0.000) 1.684 1.844 ( -1.556 -3.139 0.000) 3.503 1.844 ( -1.556 3.139 0.000) 3.503 1.890 ( 0.989 -3.001 0.000) 3.159 1.890 ( 0.989 3.001 0.000) 3.159 1.981 ( 2.984 -1.890 0.000) 3.532 1.981 ( 2.984 1.890 0.000) 3.532 1.988 ( 1.458 -6.622 0.000) 6.781 1.988 ( 1.458 6.622 0.000) 6.781 2.010 ( 2.875 -3.174 0.000) 4.283 2.010 ( 2.875 3.174 0.000) 4.283 2.022 ( -0.580 -2.242 0.000) 2.316 2.022 ( -0.580 2.242 0.000) 2.316 2.146 ( 0.009 -1.561 0.000) 1.561 2.146 ( 0.009 1.561 0.000) 1.561 2.185 ( -2.328 -2.328 0.000) 3.293 2.185 ( -2.328 2.328 0.000) 3.293 2.398 ( -2.157 -2.474 0.000) 3.283 2.398 ( -2.157 2.474 0.000) 3.283 2.414 ( -1.710 -1.579 0.000) 2.327 2.414 ( -1.710 1.579 0.000) 2.327 2.493 ( -1.319 -3.756 0.000) 3.981 2.493 ( -1.319 3.756 0.000) 3.981 2.494 ( -0.483 -1.644 0.000) 1.714 2.494 ( -0.483 1.644 0.000) 1.714 2.617 ( -0.376 -5.727 0.000) 5.739 2.617 ( -0.376 5.727 0.000) 5.739 2.646 ( -1.584 -2.408 0.000) 2.883 2.646 ( -1.584 2.408 0.000) 2.883 2.755 ( -0.676 -4.499 0.000) 4.549 2.755 ( -0.676 4.499 0.000) 4.549 2.898 ( -1.518 -2.271 0.000) 2.732 2.898 ( -1.518 2.271 0.000) 2.732 2.953 ( -3.160 -2.893 0.000) 4.284 2.953 ( -3.160 2.893 0.000) 4.284 3.073 ( -7.064 -1.141 0.000) 7.155 3.073 ( -7.064 1.141 0.000) 7.155 3.274 ( 0.802 -1.845 0.000) 2.012 3.274 ( 0.802 1.845 0.000) 2.012 3.452 ( 5.397 -10.532 0.000) 11.834 3.452 ( 5.397 10.532 0.000) 11.834 3.671 ( 5.622 -1.150 0.000) 5.738 3.671 ( 5.622 1.150 0.000) 5.738 3.735 ( -6.445 -2.248 0.000) 6.826 3.735 ( -6.445 2.248 0.000) 6.826 4.002 ( -0.500 -3.608 0.000) 3.643 4.002 ( -0.500 3.608 0.000) 3.643 4.165 ( 3.677 -3.586 0.000) 5.136 4.165 ( 3.677 3.586 0.000) 5.136 4.232 ( -2.610 -2.966 0.000) 3.951 4.232 ( -2.610 2.966 0.000) 3.951 4.399 ( 0.254 -4.535 0.000) 4.542 4.399 ( 0.254 4.535 0.000) 4.542 4.582 ( 2.276 -5.086 0.000) 5.572 4.582 ( 2.276 5.086 0.000) 5.572 4.797 ( 0.318 -3.059 0.000) 3.075 4.797 ( 0.318 3.059 0.000) 3.075 5.104 ( -4.352 -2.872 0.000) 5.214 5.104 ( -4.352 2.872 0.000) 5.214 5.128 ( -3.653 -1.687 0.000) 4.023 5.128 ( -3.653 1.687 0.000) 4.023 7.063 ( 1.547 -3.160 0.000) 3.518 7.063 ( 1.547 3.160 0.000) 3.518 7.116 ( 2.181 -2.668 0.000) 3.446 7.116 ( 2.181 2.668 0.000) 3.446 7.569 ( 2.657 -3.483 0.000) 4.381 7.569 ( 2.657 3.483 0.000) 4.381 7.572 ( 2.333 -5.920 0.000) 6.363 7.572 ( 2.333 5.920 0.000) 6.363 10.291 ( -0.051 -7.333 0.000) 7.334 10.291 ( -0.051 7.333 0.000) 7.334 10.545 ( -4.188 -0.366 0.000) 4.204 10.545 ( -4.188 0.366 0.000) 4.204 10.840 ( 3.373 -0.979 0.000) 3.512 10.840 ( 3.373 0.979 0.000) 3.512 11.208 ( -1.691 -4.547 0.000) 4.851 11.208 ( -1.691 4.547 0.000) 4.851 11.503 ( -0.151 -4.787 0.000) 4.790 11.503 ( -0.151 4.787 0.000) 4.790 11.768 ( -1.166 -1.369 0.000) 1.798 11.768 ( -1.166 1.369 0.000) 1.798 12.919 ( 4.566 -1.903 0.000) 4.946 12.919 ( 4.566 1.903 0.000) 4.946 13.046 ( 0.555 -3.336 0.000) 3.382 13.046 ( 0.555 3.336 0.000) 3.382 13.102 ( -0.800 -3.491 0.000) 3.581 13.102 ( -0.800 3.491 0.000) 3.581 13.329 ( -2.353 -4.114 0.000) 4.739 13.329 ( -2.353 4.114 0.000) 4.739 13.467 ( -3.486 -3.075 0.000) 4.648 13.467 ( -3.486 3.075 0.000) 4.648 13.494 ( -0.158 -1.290 0.000) 1.300 13.494 ( -0.158 1.290 0.000) 1.300 13.657 ( 0.572 -3.249 0.000) 3.299 13.657 ( 0.572 3.249 0.000) 3.299 13.706 ( -5.587 -8.410 0.000) 10.097 13.706 ( -5.587 8.410 0.000) 10.097 13.848 ( 3.514 -5.874 0.000) 6.845 13.848 ( 3.514 5.874 0.000) 6.845 14.087 ( -4.135 -4.872 0.000) 6.390 14.087 ( -4.135 4.872 0.000) 6.390 15.083 ( 1.823 -0.403 0.000) 1.867 15.083 ( 1.823 0.403 0.000) 1.867 15.125 ( 1.102 -4.093 0.000) 4.239 15.125 ( 1.102 4.093 0.000) 4.239 15.642 ( -0.464 -9.068 0.000) 9.080 15.642 ( -0.464 9.068 0.000) 9.080 15.865 ( -7.549 -10.692 0.000) 13.089 15.865 ( -7.549 10.692 0.000) 13.089 ======================= Grid point 24 (14/60) ======================= q-point: ( 0.38 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( 6.658 -5.556 0.000) 8.672 0.909 ( 6.658 5.556 0.000) 8.672 0.931 ( 5.761 -4.922 0.000) 7.577 0.931 ( 5.761 4.922 0.000) 7.577 1.183 ( 0.215 -1.572 0.000) 1.587 1.183 ( 0.215 1.572 0.000) 1.587 1.190 ( -0.700 -1.188 0.000) 1.379 1.190 ( -0.700 1.188 0.000) 1.379 1.314 ( 2.393 -5.095 0.000) 5.629 1.314 ( 2.393 5.095 0.000) 5.629 1.337 ( 1.513 -1.202 0.000) 1.932 1.337 ( 1.513 1.202 0.000) 1.932 1.429 ( 0.919 -3.091 0.000) 3.225 1.429 ( 0.919 3.091 0.000) 3.225 1.469 ( -1.182 -2.788 0.000) 3.028 1.469 ( -1.182 2.788 0.000) 3.028 1.622 ( -1.201 -4.240 0.000) 4.406 1.622 ( -1.201 4.240 0.000) 4.406 1.627 ( 0.743 -2.006 0.000) 2.139 1.627 ( 0.743 2.006 0.000) 2.139 1.719 ( -0.634 -1.067 0.000) 1.241 1.719 ( -0.634 1.067 0.000) 1.241 1.775 ( 0.608 -0.602 0.000) 0.855 1.775 ( 0.608 0.602 0.000) 0.855 1.825 ( -0.384 -1.864 0.000) 1.903 1.825 ( -0.384 1.864 0.000) 1.903 1.878 ( -2.224 -2.889 0.000) 3.646 1.878 ( -2.224 2.889 0.000) 3.646 1.981 ( 0.656 -2.184 0.000) 2.280 1.981 ( 0.656 2.184 0.000) 2.280 1.991 ( 0.228 -3.414 0.000) 3.422 1.991 ( 0.228 3.414 0.000) 3.422 2.077 ( 0.691 -3.508 0.000) 3.576 2.077 ( 0.691 3.508 0.000) 3.576 2.110 ( -0.290 -2.555 0.000) 2.571 2.110 ( -0.290 2.555 0.000) 2.571 2.128 ( 4.061 -3.436 0.000) 5.319 2.128 ( 4.061 3.436 0.000) 5.319 2.168 ( 2.548 -4.050 0.000) 4.785 2.168 ( 2.548 4.050 0.000) 4.785 2.364 ( -0.786 -3.174 0.000) 3.269 2.364 ( -0.786 3.174 0.000) 3.269 2.380 ( -1.743 -1.157 0.000) 2.092 2.380 ( -1.743 1.157 0.000) 2.092 2.473 ( -0.888 -0.713 0.000) 1.139 2.473 ( -0.888 0.713 0.000) 1.139 2.475 ( -1.497 -2.716 0.000) 3.101 2.475 ( -1.497 2.716 0.000) 3.101 2.590 ( -2.314 -1.625 0.000) 2.827 2.590 ( -2.314 1.625 0.000) 2.827 2.594 ( -3.266 -1.018 0.000) 3.421 2.594 ( -3.266 1.018 0.000) 3.421 2.752 ( 0.599 -6.533 0.000) 6.561 2.752 ( 0.599 6.533 0.000) 6.561 2.871 ( -4.825 -4.100 0.000) 6.332 2.871 ( -4.825 4.100 0.000) 6.332 2.893 ( 1.176 -2.474 0.000) 2.739 2.893 ( 1.176 2.474 0.000) 2.739 2.972 ( -3.181 -5.330 0.000) 6.207 2.972 ( -3.181 5.330 0.000) 6.207 3.315 ( 3.403 -4.532 0.000) 5.668 3.315 ( 3.403 4.532 0.000) 5.668 3.516 ( -3.328 -10.324 0.000) 10.847 3.516 ( -3.328 10.324 0.000) 10.847 3.685 ( 5.665 -5.214 0.000) 7.700 3.685 ( 5.665 5.214 0.000) 7.700 3.773 ( 4.549 -0.179 0.000) 4.552 3.773 ( 4.549 0.179 0.000) 4.552 3.974 ( -1.914 -3.813 0.000) 4.266 3.974 ( -1.914 3.813 0.000) 4.266 4.124 ( -7.792 -6.397 0.000) 10.082 4.124 ( -7.792 6.397 0.000) 10.082 4.250 ( 4.668 -2.542 0.000) 5.315 4.250 ( 4.668 2.542 0.000) 5.315 4.388 ( -1.709 -1.396 0.000) 2.207 4.388 ( -1.709 1.396 0.000) 2.207 4.657 ( 4.871 -6.662 0.000) 8.252 4.657 ( 4.871 6.662 0.000) 8.252 4.791 ( -1.098 -2.279 0.000) 2.530 4.791 ( -1.098 2.279 0.000) 2.530 5.034 ( -2.630 -5.021 0.000) 5.668 5.034 ( -2.630 5.021 0.000) 5.668 5.056 ( -3.351 -2.481 0.000) 4.169 5.056 ( -3.351 2.481 0.000) 4.169 7.096 ( 1.763 -2.644 0.000) 3.178 7.096 ( 1.763 2.644 0.000) 3.178 7.138 ( 0.208 -2.464 0.000) 2.473 7.138 ( 0.208 2.464 0.000) 2.473 7.604 ( 1.044 -3.741 0.000) 3.884 7.604 ( 1.044 3.741 0.000) 3.884 7.607 ( 1.119 -5.649 0.000) 5.759 7.607 ( 1.119 5.649 0.000) 5.759 10.308 ( 1.930 -5.928 0.000) 6.234 10.308 ( 1.930 5.928 0.000) 6.234 10.454 ( -4.841 -1.975 0.000) 5.229 10.454 ( -4.841 1.975 0.000) 5.229 10.924 ( 5.173 -4.151 0.000) 6.633 10.924 ( 5.173 4.151 0.000) 6.633 11.143 ( -4.834 -6.652 0.000) 8.223 11.143 ( -4.834 6.652 0.000) 8.223 11.537 ( 3.622 -1.764 0.000) 4.029 11.537 ( 3.622 1.764 0.000) 4.029 11.722 ( -3.777 -0.689 0.000) 3.839 11.722 ( -3.777 0.689 0.000) 3.839 12.989 ( 2.130 -1.206 0.000) 2.448 12.989 ( 2.130 1.206 0.000) 2.448 13.037 ( -0.860 -1.890 0.000) 2.077 13.037 ( -0.860 1.890 0.000) 2.077 13.148 ( 5.865 -0.472 0.000) 5.884 13.148 ( 5.865 0.472 0.000) 5.884 13.286 ( -1.352 -1.351 0.000) 1.911 13.286 ( -1.352 1.351 0.000) 1.911 13.389 ( -4.147 -1.944 0.000) 4.580 13.389 ( -4.147 1.944 0.000) 4.580 13.472 ( -4.603 -1.028 0.000) 4.717 13.472 ( -4.603 1.028 0.000) 4.717 13.615 ( -1.773 -6.456 0.000) 6.695 13.615 ( -1.773 6.456 0.000) 6.695 13.651 ( -0.952 -3.658 0.000) 3.780 13.651 ( -0.952 3.658 0.000) 3.780 13.920 ( 3.496 -5.197 0.000) 6.263 13.920 ( 3.496 5.197 0.000) 6.263 14.024 ( -2.491 -6.471 0.000) 6.934 14.024 ( -2.491 6.471 0.000) 6.934 15.119 ( 1.741 -2.341 0.000) 2.917 15.119 ( 1.741 2.341 0.000) 2.917 15.143 ( 0.588 -4.378 0.000) 4.418 15.143 ( 0.588 4.378 0.000) 4.418 15.641 ( 0.495 -5.026 0.000) 5.050 15.641 ( 0.495 5.026 0.000) 5.050 15.742 ( -5.021 -7.425 0.000) 8.964 15.742 ( -5.021 7.425 0.000) 8.964 ======================= Grid point 26 (15/60) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( -0.230 -2.146 0.000) 2.159 0.990 ( 0.230 -2.146 0.000) 2.159 0.990 ( -0.230 2.146 0.000) 2.159 0.990 ( 0.230 2.146 0.000) 2.159 1.178 ( -0.000 -1.991 0.000) 1.991 1.178 ( -0.000 1.991 0.000) 1.991 1.178 ( 0.000 -1.991 0.000) 1.991 1.178 ( 0.000 1.991 0.000) 1.991 1.353 ( -0.078 -3.429 0.000) 3.430 1.353 ( -0.078 3.429 0.000) 3.430 1.353 ( 0.078 -3.429 0.000) 3.430 1.353 ( 0.078 3.429 0.000) 3.430 1.445 ( -0.098 -0.782 0.000) 0.788 1.445 ( -0.098 0.782 0.000) 0.788 1.445 ( 0.098 -0.782 0.000) 0.788 1.445 ( 0.098 0.782 0.000) 0.788 1.611 ( -0.479 -3.232 0.000) 3.268 1.611 ( 0.479 -3.232 0.000) 3.268 1.611 ( -0.479 3.232 0.000) 3.268 1.611 ( 0.479 3.232 0.000) 3.268 1.755 ( -0.886 -0.621 0.000) 1.082 1.755 ( -0.886 0.621 0.000) 1.082 1.755 ( 0.886 -0.621 0.000) 1.082 1.755 ( 0.886 0.621 0.000) 1.082 1.834 ( -0.245 -1.730 0.000) 1.747 1.834 ( -0.245 1.730 0.000) 1.747 1.834 ( 0.245 -1.730 0.000) 1.747 1.834 ( 0.245 1.730 0.000) 1.747 2.004 ( -0.002 -1.714 0.000) 1.714 2.004 ( -0.002 1.714 0.000) 1.714 2.004 ( 0.002 -1.714 0.000) 1.714 2.004 ( 0.002 1.714 0.000) 1.714 2.062 ( -0.258 -5.102 0.000) 5.109 2.062 ( 0.258 -5.102 0.000) 5.109 2.062 ( -0.258 5.102 0.000) 5.109 2.062 ( 0.258 5.102 0.000) 5.109 2.217 ( -0.112 -1.074 0.000) 1.079 2.217 ( -0.112 1.074 0.000) 1.079 2.217 ( 0.112 -1.074 0.000) 1.079 2.217 ( 0.112 1.074 0.000) 1.079 2.359 ( -0.000 -3.818 0.000) 3.818 2.359 ( -0.000 3.818 0.000) 3.818 2.359 ( 0.000 -3.818 0.000) 3.818 2.359 ( 0.000 3.818 0.000) 3.818 2.454 ( -0.007 -2.588 0.000) 2.588 2.454 ( -0.007 2.588 0.000) 2.588 2.454 ( 0.007 -2.588 0.000) 2.588 2.454 ( 0.007 2.588 0.000) 2.588 2.557 ( -0.067 -0.987 0.000) 0.989 2.557 ( 0.067 -0.987 0.000) 0.989 2.557 ( -0.067 0.987 0.000) 0.989 2.557 ( 0.067 0.987 0.000) 0.989 2.790 ( -2.188 -2.017 0.000) 2.976 2.790 ( -2.188 2.017 0.000) 2.976 2.790 ( 2.188 -2.017 0.000) 2.976 2.790 ( 2.188 2.017 0.000) 2.976 2.927 ( -0.698 -4.657 0.000) 4.709 2.927 ( 0.698 -4.657 0.000) 4.709 2.927 ( -0.698 4.657 0.000) 4.709 2.927 ( 0.698 4.657 0.000) 4.709 3.406 ( -5.778 -6.600 0.000) 8.772 3.406 ( 5.778 -6.600 0.000) 8.772 3.406 ( -5.778 6.600 0.000) 8.772 3.406 ( 5.778 6.600 0.000) 8.772 3.817 ( -0.664 -1.085 0.000) 1.272 3.817 ( -0.664 1.085 0.000) 1.272 3.817 ( 0.664 -1.085 0.000) 1.272 3.817 ( 0.664 1.085 0.000) 1.272 3.975 ( -2.889 -8.346 0.000) 8.832 3.975 ( 2.889 -8.346 0.000) 8.832 3.975 ( -2.889 8.346 0.000) 8.832 3.975 ( 2.889 8.346 0.000) 8.832 4.334 ( -1.683 -1.669 0.000) 2.370 4.334 ( -1.683 1.669 0.000) 2.370 4.334 ( 1.683 -1.669 0.000) 2.370 4.334 ( 1.683 1.669 0.000) 2.370 4.745 ( -3.634 -5.285 0.000) 6.414 4.745 ( 3.634 -5.285 0.000) 6.414 4.745 ( -3.634 5.285 0.000) 6.414 4.745 ( 3.634 5.285 0.000) 6.414 5.013 ( -0.478 -4.945 0.000) 4.968 5.013 ( 0.478 -4.945 0.000) 4.968 5.013 ( -0.478 4.945 0.000) 4.968 5.013 ( 0.478 4.945 0.000) 4.968 7.127 ( -0.234 -2.156 0.000) 2.169 7.127 ( -0.234 2.156 0.000) 2.169 7.127 ( 0.234 -2.156 0.000) 2.169 7.127 ( 0.234 2.156 0.000) 2.169 7.615 ( -0.002 -4.649 0.000) 4.649 7.615 ( -0.002 4.649 0.000) 4.649 7.615 ( 0.002 -4.649 0.000) 4.649 7.615 ( 0.002 4.649 0.000) 4.649 10.366 ( -3.455 -4.039 0.000) 5.315 10.366 ( 3.455 -4.039 0.000) 5.315 10.366 ( -3.455 4.039 0.000) 5.315 10.366 ( 3.455 4.039 0.000) 5.315 11.035 ( -3.909 -6.306 0.000) 7.420 11.035 ( 3.909 -6.306 0.000) 7.420 11.035 ( -3.909 6.306 0.000) 7.420 11.035 ( 3.909 6.306 0.000) 7.420 11.629 ( -3.123 -0.425 0.000) 3.152 11.629 ( -3.123 0.425 0.000) 3.152 11.629 ( 3.123 -0.425 0.000) 3.152 11.629 ( 3.123 0.425 0.000) 3.152 13.018 ( -0.141 -1.858 0.000) 1.864 13.018 ( -0.141 1.858 0.000) 1.864 13.018 ( 0.141 -1.858 0.000) 1.864 13.018 ( 0.141 1.858 0.000) 1.864 13.272 ( -0.727 -2.220 0.000) 2.336 13.272 ( -0.727 2.220 0.000) 2.336 13.272 ( 0.727 -2.220 0.000) 2.336 13.272 ( 0.727 2.220 0.000) 2.336 13.348 ( -2.883 -2.029 0.000) 3.525 13.348 ( -2.883 2.029 0.000) 3.525 13.348 ( 2.883 -2.029 0.000) 3.525 13.348 ( 2.883 2.029 0.000) 3.525 13.626 ( -0.601 -4.464 0.000) 4.504 13.626 ( 0.601 -4.464 0.000) 4.504 13.626 ( -0.601 4.464 0.000) 4.504 13.626 ( 0.601 4.464 0.000) 4.504 13.978 ( -0.265 -5.398 0.000) 5.405 13.978 ( -0.265 5.398 0.000) 5.405 13.978 ( 0.265 -5.398 0.000) 5.405 13.978 ( 0.265 5.398 0.000) 5.405 15.143 ( -0.025 -3.915 0.000) 3.915 15.143 ( -0.025 3.915 0.000) 3.915 15.143 ( 0.025 -3.915 0.000) 3.915 15.143 ( 0.025 3.915 0.000) 3.915 15.669 ( -0.268 -1.791 0.000) 1.811 15.669 ( -0.268 1.791 0.000) 1.811 15.669 ( 0.268 -1.791 0.000) 1.811 15.669 ( 0.268 1.791 0.000) 1.811 ======================= Grid point 45 (16/60) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.276 ( 0.000 0.000 14.206) 14.206 0.291 ( 0.000 0.000 15.550) 15.550 0.617 ( 0.000 0.000 29.250) 29.250 0.762 ( 0.000 0.000 4.964) 4.964 0.889 ( 0.000 0.000 -1.435) 1.435 1.076 ( 0.000 0.000 -3.263) 3.263 1.098 ( 0.000 0.000 -2.952) 2.952 1.104 ( 0.000 0.000 -0.338) 0.338 1.113 ( 0.000 0.000 4.322) 4.322 1.284 ( 0.000 0.000 4.337) 4.337 1.300 ( 0.000 0.000 0.537) 0.537 1.315 ( 0.000 0.000 -7.024) 7.024 1.322 ( 0.000 0.000 1.406) 1.406 1.443 ( 0.000 0.000 -6.055) 6.055 1.494 ( 0.000 0.000 -0.972) 0.972 1.504 ( 0.000 0.000 -2.158) 2.158 1.578 ( 0.000 0.000 2.652) 2.652 1.597 ( 0.000 0.000 -2.626) 2.626 1.624 ( 0.000 0.000 -3.748) 3.748 1.643 ( 0.000 0.000 6.103) 6.103 1.678 ( 0.000 0.000 7.366) 7.366 1.727 ( 0.000 0.000 -1.781) 1.781 1.761 ( 0.000 0.000 3.218) 3.218 1.765 ( 0.000 0.000 0.863) 0.863 1.787 ( 0.000 0.000 -4.929) 4.929 1.836 ( 0.000 0.000 -2.030) 2.030 1.852 ( 0.000 0.000 -4.639) 4.639 1.858 ( 0.000 0.000 -3.728) 3.728 1.916 ( 0.000 0.000 1.523) 1.523 1.959 ( 0.000 0.000 2.822) 2.822 1.990 ( 0.000 0.000 0.831) 0.831 2.003 ( 0.000 0.000 0.371) 0.371 2.030 ( 0.000 0.000 -0.192) 0.192 2.082 ( 0.000 0.000 2.393) 2.393 2.085 ( 0.000 0.000 -1.951) 1.951 2.095 ( 0.000 0.000 -1.757) 1.757 2.126 ( 0.000 0.000 -2.790) 2.790 2.182 ( 0.000 0.000 -1.287) 1.287 2.218 ( 0.000 0.000 4.179) 4.179 2.222 ( 0.000 0.000 2.532) 2.532 2.332 ( 0.000 0.000 2.327) 2.327 2.346 ( 0.000 0.000 -0.169) 0.169 2.367 ( 0.000 0.000 2.952) 2.952 2.387 ( 0.000 0.000 -5.545) 5.545 2.403 ( 0.000 0.000 0.272) 0.272 2.503 ( 0.000 0.000 0.955) 0.955 2.538 ( 0.000 0.000 1.350) 1.350 2.573 ( 0.000 0.000 2.787) 2.787 2.585 ( 0.000 0.000 5.272) 5.272 2.731 ( 0.000 0.000 -1.650) 1.650 2.747 ( 0.000 0.000 -7.382) 7.382 2.758 ( 0.000 0.000 -6.119) 6.119 2.798 ( 0.000 0.000 -4.393) 4.393 2.934 ( 0.000 0.000 -0.362) 0.362 2.969 ( 0.000 0.000 -1.497) 1.497 2.974 ( 0.000 0.000 -0.615) 0.615 2.999 ( 0.000 0.000 -0.780) 0.780 3.091 ( 0.000 0.000 2.841) 2.841 3.112 ( 0.000 0.000 6.853) 6.853 3.166 ( 0.000 0.000 4.880) 4.880 3.217 ( 0.000 0.000 -7.053) 7.053 3.268 ( 0.000 0.000 -5.081) 5.081 3.350 ( 0.000 0.000 -10.553) 10.553 3.411 ( 0.000 0.000 10.417) 10.417 3.618 ( 0.000 0.000 -3.420) 3.420 3.746 ( 0.000 0.000 8.018) 8.018 3.787 ( 0.000 0.000 -1.623) 1.623 3.877 ( 0.000 0.000 -1.949) 1.949 3.925 ( 0.000 0.000 0.144) 0.144 3.938 ( 0.000 0.000 3.240) 3.240 4.043 ( 0.000 0.000 -1.407) 1.407 4.117 ( 0.000 0.000 -3.506) 3.506 4.230 ( 0.000 0.000 3.743) 3.743 4.294 ( 0.000 0.000 -1.601) 1.601 4.405 ( 0.000 0.000 1.770) 1.770 4.503 ( 0.000 0.000 -2.250) 2.250 4.573 ( 0.000 0.000 -2.749) 2.749 4.586 ( 0.000 0.000 7.089) 7.089 4.738 ( 0.000 0.000 -5.823) 5.823 4.922 ( 0.000 0.000 0.768) 0.768 4.947 ( 0.000 0.000 -3.483) 3.483 4.986 ( 0.000 0.000 -4.282) 4.282 5.140 ( 0.000 0.000 6.042) 6.042 5.297 ( 0.000 0.000 3.357) 3.357 6.906 ( 0.000 0.000 -1.458) 1.458 6.930 ( 0.000 0.000 -2.558) 2.558 7.166 ( 0.000 0.000 0.317) 0.317 7.174 ( 0.000 0.000 0.816) 0.816 7.232 ( 0.000 0.000 4.759) 4.759 7.569 ( 0.000 0.000 0.694) 0.694 7.575 ( 0.000 0.000 -1.625) 1.625 7.824 ( 0.000 0.000 -2.865) 2.865 10.131 ( 0.000 0.000 1.415) 1.415 10.501 ( 0.000 0.000 -6.292) 6.292 10.660 ( 0.000 0.000 5.836) 5.836 10.758 ( 0.000 0.000 4.973) 4.973 10.764 ( 0.000 0.000 3.028) 3.028 10.834 ( 0.000 0.000 4.617) 4.617 11.131 ( 0.000 0.000 -0.884) 0.884 11.234 ( 0.000 0.000 -2.501) 2.501 11.234 ( 0.000 0.000 -3.502) 3.502 11.601 ( 0.000 0.000 -9.479) 9.479 11.772 ( 0.000 0.000 4.651) 4.651 11.924 ( 0.000 0.000 4.192) 4.192 12.767 ( 0.000 0.000 1.928) 1.928 12.849 ( 0.000 0.000 2.837) 2.837 12.933 ( 0.000 0.000 -1.116) 1.116 12.969 ( 0.000 0.000 6.916) 6.916 13.271 ( 0.000 0.000 -3.025) 3.025 13.289 ( 0.000 0.000 0.420) 0.420 13.360 ( 0.000 0.000 3.549) 3.549 13.363 ( 0.000 0.000 -2.545) 2.545 13.370 ( 0.000 0.000 -0.725) 0.725 13.491 ( 0.000 0.000 -0.404) 0.404 13.513 ( 0.000 0.000 2.880) 2.880 13.528 ( 0.000 0.000 1.081) 1.081 13.538 ( 0.000 0.000 -2.409) 2.409 13.557 ( 0.000 0.000 -1.245) 1.245 13.760 ( 0.000 0.000 -1.847) 1.847 13.876 ( 0.000 0.000 7.238) 7.238 13.993 ( 0.000 0.000 -3.997) 3.997 14.039 ( 0.000 0.000 -9.945) 9.945 14.065 ( 0.000 0.000 -6.191) 6.191 14.283 ( 0.000 0.000 -2.002) 2.002 14.957 ( 0.000 0.000 0.501) 0.501 15.057 ( 0.000 0.000 -1.845) 1.845 15.115 ( 0.000 0.000 9.747) 9.747 15.145 ( 0.000 0.000 1.692) 1.692 15.174 ( 0.000 0.000 0.523) 0.523 15.899 ( 0.000 0.000 -3.466) 3.466 15.911 ( 0.000 0.000 1.745) 1.745 16.171 ( 0.000 0.000 -4.021) 4.021 ======================= Grid point 46 (17/60) ======================= q-point: ( 0.12 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.343 ( 7.957 0.000 9.356) 12.282 0.367 ( 8.293 0.000 9.755) 12.804 0.843 ( 7.244 0.000 3.246) 7.938 0.868 ( 16.118 0.000 12.729) 20.539 0.935 ( 5.632 0.000 1.166) 5.752 1.061 ( -0.975 0.000 -2.073) 2.291 1.104 ( -0.810 0.000 1.732) 1.912 1.111 ( 1.492 0.000 -2.496) 2.908 1.150 ( 3.393 0.000 -3.073) 4.578 1.273 ( -1.468 0.000 2.734) 3.103 1.288 ( -0.761 0.000 0.680) 1.021 1.318 ( 2.019 0.000 -1.306) 2.405 1.356 ( 2.739 0.000 -4.028) 4.871 1.477 ( -0.011 0.000 -2.045) 2.045 1.489 ( 2.155 0.000 -3.442) 4.061 1.533 ( 1.620 0.000 -1.717) 2.361 1.559 ( -1.543 0.000 3.963) 4.252 1.574 ( -1.930 0.000 -1.933) 2.731 1.597 ( -2.708 0.000 -3.128) 4.137 1.642 ( 1.556 0.000 3.087) 3.457 1.685 ( -2.626 0.000 -2.453) 3.593 1.724 ( 2.866 0.000 5.887) 6.547 1.725 ( -3.042 0.000 0.826) 3.152 1.753 ( -1.364 0.000 0.569) 1.477 1.794 ( -0.255 0.000 -2.111) 2.126 1.808 ( 0.589 0.000 -2.839) 2.899 1.891 ( 2.137 0.000 -4.054) 4.583 1.913 ( -0.465 0.000 1.094) 1.189 1.935 ( 4.749 0.000 -1.176) 4.892 1.958 ( -3.185 0.000 -0.361) 3.205 1.967 ( 0.661 0.000 1.394) 1.542 1.987 ( -0.589 0.000 1.562) 1.669 2.057 ( -2.597 0.000 -1.155) 2.842 2.072 ( 2.558 0.000 -1.132) 2.797 2.078 ( -0.246 0.000 0.151) 0.289 2.109 ( 1.774 0.000 2.346) 2.941 2.136 ( -3.302 0.000 -0.201) 3.308 2.136 ( 1.007 0.000 -3.479) 3.622 2.219 ( -0.239 0.000 2.691) 2.701 2.221 ( -0.001 0.000 3.099) 3.099 2.344 ( 0.870 0.000 1.091) 1.396 2.358 ( 0.822 0.000 -0.089) 0.827 2.374 ( 0.689 0.000 2.316) 2.416 2.375 ( -1.407 0.000 -5.645) 5.817 2.411 ( 0.767 0.000 0.790) 1.101 2.474 ( -2.208 0.000 0.792) 2.346 2.537 ( -0.226 0.000 1.835) 1.849 2.558 ( -0.901 0.000 2.685) 2.833 2.585 ( -0.353 0.000 5.919) 5.930 2.699 ( -2.699 0.000 -4.426) 5.184 2.737 ( -3.295 0.000 -3.134) 4.547 2.777 ( -0.906 0.000 -5.166) 5.245 2.790 ( 3.154 0.000 -6.255) 7.005 2.886 ( -3.512 0.000 -0.265) 3.522 2.929 ( -4.256 0.000 1.050) 4.384 2.964 ( -2.820 0.000 -0.725) 2.912 2.970 ( -0.615 0.000 0.400) 0.734 3.053 ( -2.442 0.000 1.302) 2.768 3.150 ( 2.587 0.000 6.164) 6.685 3.163 ( -1.636 0.000 7.841) 8.010 3.208 ( 0.297 0.000 -4.130) 4.141 3.315 ( 2.843 0.000 -5.978) 6.620 3.327 ( -1.959 0.000 0.236) 1.973 3.449 ( -10.496 0.000 -0.079) 10.496 3.453 ( 4.778 0.000 -2.772) 5.524 3.720 ( -1.921 0.000 2.758) 3.361 3.771 ( -1.876 0.000 -2.036) 2.769 3.872 ( 0.351 0.000 -2.458) 2.483 3.924 ( -1.094 0.000 3.590) 3.753 4.026 ( 6.806 0.000 0.005) 6.806 4.065 ( 3.212 0.000 1.671) 3.621 4.187 ( 4.456 0.000 -1.604) 4.736 4.255 ( 3.265 0.000 2.340) 4.017 4.317 ( 0.934 0.000 -2.892) 3.039 4.434 ( 2.514 0.000 1.209) 2.790 4.490 ( -1.310 0.000 -1.847) 2.265 4.532 ( -5.090 0.000 6.067) 7.919 4.544 ( -2.476 0.000 -1.105) 2.711 4.699 ( -3.017 0.000 -3.816) 4.864 4.778 ( -7.798 0.000 1.095) 7.875 4.964 ( 1.373 0.000 -2.201) 2.595 5.075 ( 4.238 0.000 -3.165) 5.290 5.128 ( -1.171 0.000 5.146) 5.277 5.265 ( -3.335 0.000 2.819) 4.367 6.961 ( 2.755 0.000 -2.301) 3.590 7.091 ( 7.950 0.000 -10.866) 13.464 7.178 ( 0.319 0.000 0.593) 0.673 7.193 ( 3.243 0.000 -1.300) 3.494 7.241 ( 1.254 0.000 4.387) 4.563 7.568 ( -0.886 0.000 -2.057) 2.239 7.594 ( 2.371 0.000 1.100) 2.614 7.773 ( -2.349 0.000 2.471) 3.410 10.132 ( 0.015 0.000 1.612) 1.612 10.491 ( -1.011 0.000 -5.837) 5.924 10.629 ( -3.187 0.000 5.364) 6.239 10.702 ( -4.971 0.000 3.932) 6.339 10.807 ( 4.762 0.000 3.685) 6.022 10.853 ( 0.680 0.000 2.960) 3.037 11.107 ( -3.219 0.000 -1.193) 3.433 11.248 ( 1.424 0.000 -2.379) 2.773 11.255 ( 2.910 0.000 -2.568) 3.881 11.589 ( -0.928 0.000 -8.142) 8.195 11.773 ( 0.093 0.000 4.049) 4.050 11.886 ( -3.549 0.000 3.718) 5.140 12.799 ( 3.243 0.000 2.049) 3.836 12.897 ( 4.127 0.000 1.746) 4.482 12.942 ( 0.846 0.000 -0.926) 1.255 12.991 ( 2.251 0.000 6.101) 6.503 13.278 ( -5.701 0.000 -2.235) 6.124 13.286 ( -0.450 0.000 1.535) 1.600 13.327 ( -2.638 0.000 3.184) 4.135 13.367 ( 0.883 0.000 0.657) 1.100 13.410 ( 5.092 0.000 -9.404) 10.694 13.439 ( -3.280 0.000 1.247) 3.509 13.501 ( -5.044 0.000 -1.483) 5.258 13.509 ( -1.749 0.000 -2.526) 3.073 13.587 ( 4.512 0.000 0.981) 4.617 13.599 ( 3.895 0.000 -0.072) 3.895 13.778 ( 0.973 0.000 -1.273) 1.602 13.867 ( -0.264 0.000 5.782) 5.788 13.947 ( -5.090 0.000 -8.978) 10.321 14.007 ( 0.968 0.000 -4.310) 4.417 14.060 ( -8.184 0.000 -2.072) 8.442 14.196 ( -2.652 0.000 -7.034) 7.517 14.995 ( 3.584 0.000 0.353) 3.601 15.062 ( 0.395 0.000 -1.415) 1.469 15.113 ( -0.054 0.000 8.784) 8.784 15.152 ( 0.711 0.000 1.852) 1.984 15.217 ( 4.270 0.000 0.419) 4.291 15.669 ( -12.389 0.000 17.207) 21.203 15.878 ( -2.127 0.000 -3.646) 4.221 16.131 ( -4.017 0.000 -3.628) 5.413 ======================= Grid point 47 (18/60) ======================= q-point: ( 0.25 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.545 ( 11.282 0.000 1.720) 11.413 0.561 ( 11.041 0.000 4.931) 12.092 0.970 ( 3.691 0.000 -2.207) 4.301 0.983 ( 3.687 0.000 -5.306) 6.461 1.050 ( -0.501 0.000 -2.926) 2.969 1.103 ( 2.355 0.000 -3.456) 4.182 1.128 ( 5.301 0.000 2.464) 5.846 1.165 ( 2.767 0.000 0.304) 2.784 1.215 ( 1.449 0.000 3.158) 3.475 1.260 ( 1.125 0.000 1.609) 1.964 1.345 ( 6.828 0.000 0.828) 6.878 1.368 ( 2.233 0.000 -2.000) 2.998 1.408 ( 2.168 0.000 -3.286) 3.936 1.428 ( -4.187 0.000 -3.446) 5.423 1.497 ( -2.616 0.000 -3.531) 4.394 1.538 ( -0.399 0.000 -1.129) 1.197 1.550 ( -1.052 0.000 -1.544) 1.868 1.585 ( 4.704 0.000 2.951) 5.553 1.589 ( 3.379 0.000 0.046) 3.379 1.639 ( -2.168 0.000 -2.125) 3.036 1.666 ( -2.554 0.000 0.797) 2.675 1.696 ( 3.504 0.000 0.263) 3.514 1.723 ( -1.398 0.000 -1.591) 2.119 1.772 ( 2.574 0.000 3.517) 4.359 1.795 ( -1.979 0.000 -3.164) 3.732 1.809 ( 0.687 0.000 0.234) 0.726 1.884 ( -3.748 0.000 -0.867) 3.847 1.896 ( -1.436 0.000 0.645) 1.574 1.912 ( -0.466 0.000 -2.307) 2.354 1.965 ( -0.054 0.000 -1.439) 1.440 1.973 ( -1.021 0.000 0.308) 1.066 1.989 ( -3.833 0.000 -0.598) 3.879 2.017 ( 2.676 0.000 -0.482) 2.720 2.074 ( -1.980 0.000 -0.127) 1.984 2.089 ( 1.373 0.000 1.637) 2.136 2.106 ( 0.316 0.000 -0.789) 0.849 2.162 ( 1.713 0.000 -5.003) 5.288 2.171 ( 3.859 0.000 5.156) 6.440 2.214 ( -0.269 0.000 2.385) 2.401 2.226 ( 1.012 0.000 -0.052) 1.013 2.329 ( -2.874 0.000 -4.098) 5.005 2.361 ( -0.321 0.000 1.278) 1.318 2.364 ( 0.931 0.000 -0.560) 1.086 2.390 ( 0.739 0.000 0.566) 0.931 2.434 ( -1.742 0.000 -0.897) 1.959 2.446 ( 2.906 0.000 1.854) 3.447 2.528 ( -0.281 0.000 2.382) 2.399 2.563 ( 1.521 0.000 5.219) 5.436 2.581 ( 0.285 0.000 5.679) 5.686 2.619 ( -5.461 0.000 -2.330) 5.937 2.666 ( -3.450 0.000 -7.135) 7.926 2.761 ( -1.014 0.000 0.147) 1.025 2.766 ( -4.696 0.000 -1.270) 4.864 2.829 ( -5.426 0.000 3.954) 6.714 2.883 ( 0.959 0.000 -3.312) 3.448 2.917 ( -1.702 0.000 -0.788) 1.876 2.921 ( -2.962 0.000 3.675) 4.720 3.055 ( 2.505 0.000 -1.151) 2.757 3.078 ( -6.429 0.000 9.773) 11.698 3.197 ( 0.742 0.000 1.266) 1.468 3.202 ( -3.163 0.000 6.159) 6.923 3.292 ( 1.342 0.000 -2.496) 2.834 3.298 ( -2.526 0.000 3.314) 4.167 3.380 ( 1.876 0.000 -7.955) 8.173 3.578 ( 7.447 0.000 -5.642) 9.342 3.696 ( 0.143 0.000 -3.802) 3.805 3.712 ( -4.068 0.000 -2.178) 4.614 3.877 ( -0.205 0.000 -2.798) 2.805 3.939 ( 3.349 0.000 5.384) 6.341 4.140 ( 3.111 0.000 2.222) 3.823 4.146 ( 4.230 0.000 -2.305) 4.817 4.216 ( -1.694 0.000 2.487) 3.009 4.316 ( -0.873 0.000 -0.716) 1.129 4.367 ( 5.614 0.000 0.823) 5.674 4.432 ( -1.456 0.000 3.577) 3.862 4.448 ( -3.401 0.000 -0.296) 3.413 4.482 ( -3.605 0.000 -1.557) 3.927 4.486 ( 2.091 0.000 0.119) 2.094 4.578 ( -6.102 0.000 -0.302) 6.109 4.733 ( 0.782 0.000 -1.222) 1.450 4.984 ( 0.281 0.000 0.036) 0.283 5.103 ( -1.035 0.000 2.388) 2.602 5.114 ( -1.448 0.000 -1.699) 2.233 5.184 ( -3.602 0.000 0.632) 3.657 7.020 ( 3.012 0.000 -1.526) 3.377 7.156 ( 1.112 0.000 -4.650) 4.781 7.183 ( 0.276 0.000 0.302) 0.409 7.252 ( 1.352 0.000 -3.352) 3.614 7.292 ( 3.878 0.000 2.837) 4.805 7.539 ( -1.995 0.000 -2.615) 3.289 7.651 ( 3.148 0.000 2.131) 3.801 7.765 ( 0.771 0.000 3.752) 3.830 10.140 ( 1.070 0.000 1.610) 1.933 10.460 ( -2.395 0.000 -4.430) 5.036 10.564 ( -3.102 0.000 3.778) 4.889 10.595 ( -5.482 0.000 3.286) 6.391 10.845 ( -1.257 0.000 1.273) 1.789 10.917 ( 6.145 0.000 2.212) 6.531 11.017 ( -5.178 0.000 -1.284) 5.335 11.285 ( 2.085 0.000 -1.849) 2.786 11.345 ( 5.952 0.000 -0.528) 5.976 11.569 ( -1.255 0.000 -4.184) 4.368 11.767 ( -0.970 0.000 2.697) 2.866 11.808 ( -3.973 0.000 1.783) 4.355 12.888 ( 5.575 0.000 1.772) 5.850 12.967 ( 1.717 0.000 -0.504) 1.790 12.981 ( 4.453 0.000 0.438) 4.474 13.036 ( 1.540 0.000 3.159) 3.514 13.171 ( -4.820 0.000 -1.699) 5.110 13.265 ( -1.980 0.000 3.856) 4.335 13.296 ( -0.042 0.000 1.522) 1.522 13.316 ( -6.485 0.000 0.142) 6.486 13.371 ( -3.221 0.000 0.966) 3.363 13.415 ( -1.457 0.000 -1.737) 2.267 13.471 ( 0.128 0.000 -6.100) 6.102 13.480 ( -0.546 0.000 0.136) 0.563 13.615 ( -1.831 0.000 2.743) 3.298 13.694 ( 6.352 0.000 -1.625) 6.557 13.768 ( -1.745 0.000 0.464) 1.806 13.818 ( -12.960 0.000 2.622) 13.222 13.856 ( -4.556 0.000 -8.047) 9.247 13.892 ( 2.551 0.000 2.074) 3.288 14.029 ( 0.656 0.000 -4.552) 4.599 14.165 ( -2.535 0.000 -11.165) 11.449 15.068 ( 2.511 0.000 1.983) 3.199 15.070 ( 0.402 0.000 -0.330) 0.521 15.127 ( 2.309 0.000 5.442) 5.911 15.171 ( 1.141 0.000 2.419) 2.675 15.332 ( 7.251 0.000 0.041) 7.251 15.536 ( -2.552 0.000 12.669) 12.923 15.818 ( -3.943 0.000 -3.891) 5.540 16.021 ( -7.112 0.000 -2.643) 7.587 ======================= Grid point 48 (19/60) ======================= q-point: ( 0.38 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.750 ( 9.374 0.000 -1.049) 9.432 0.779 ( 10.909 0.000 2.170) 11.123 0.974 ( -2.394 0.000 -4.631) 5.213 1.053 ( 2.542 0.000 -6.233) 6.732 1.080 ( 3.802 0.000 -3.012) 4.851 1.094 ( -1.859 0.000 -1.836) 2.612 1.195 ( 1.234 0.000 0.612) 1.377 1.239 ( 1.934 0.000 1.139) 2.245 1.242 ( 1.028 0.000 -0.115) 1.034 1.302 ( 2.991 0.000 0.466) 3.027 1.327 ( -4.195 0.000 -3.751) 5.627 1.378 ( -0.892 0.000 -0.515) 1.030 1.394 ( 0.740 0.000 -3.349) 3.429 1.469 ( -0.621 0.000 -4.790) 4.830 1.489 ( 4.484 0.000 -6.372) 7.792 1.548 ( 1.573 0.000 -0.370) 1.616 1.555 ( 1.084 0.000 -0.003) 1.084 1.589 ( -1.918 0.000 -1.824) 2.647 1.608 ( -0.867 0.000 -0.784) 1.169 1.656 ( 1.668 0.000 -0.461) 1.731 1.672 ( 1.339 0.000 -4.278) 4.483 1.692 ( -1.652 0.000 -2.150) 2.711 1.741 ( -2.926 0.000 -3.220) 4.351 1.747 ( -0.858 0.000 1.542) 1.765 1.755 ( -2.664 0.000 -0.883) 2.806 1.817 ( -2.886 0.000 -0.110) 2.888 1.853 ( 2.155 0.000 -0.835) 2.311 1.885 ( -2.084 0.000 -1.235) 2.423 1.893 ( 1.693 0.000 0.210) 1.706 1.927 ( -1.232 0.000 1.174) 1.702 1.951 ( -1.537 0.000 -1.203) 1.952 1.984 ( -0.903 0.000 -0.850) 1.240 2.015 ( 2.212 0.000 -0.965) 2.413 2.088 ( -1.418 0.000 -0.301) 1.450 2.096 ( 1.170 0.000 3.387) 3.584 2.131 ( 3.705 0.000 0.771) 3.784 2.181 ( -0.409 0.000 0.998) 1.078 2.220 ( 0.375 0.000 -3.613) 3.632 2.226 ( 1.980 0.000 1.562) 2.522 2.262 ( -3.277 0.000 -1.500) 3.604 2.263 ( 1.954 0.000 -0.500) 2.017 2.370 ( 1.151 0.000 -0.129) 1.158 2.377 ( 0.132 0.000 0.652) 0.665 2.414 ( -1.152 0.000 -3.341) 3.534 2.415 ( 2.887 0.000 3.136) 4.262 2.510 ( 2.980 0.000 0.170) 2.985 2.516 ( -3.898 0.000 -3.008) 4.924 2.535 ( 1.229 0.000 3.263) 3.487 2.588 ( -1.440 0.000 -2.250) 2.671 2.609 ( -0.862 0.000 2.803) 2.933 2.622 ( 4.212 0.000 9.263) 10.175 2.682 ( -2.863 0.000 -0.061) 2.863 2.711 ( -5.185 0.000 6.658) 8.439 2.751 ( -1.282 0.000 3.486) 3.715 2.826 ( -3.802 0.000 5.709) 6.859 2.889 ( -2.943 0.000 2.946) 4.164 2.924 ( 0.740 0.000 -3.340) 3.421 2.950 ( -4.574 0.000 5.819) 7.401 3.088 ( -0.378 0.000 1.761) 1.801 3.124 ( -3.696 0.000 7.286) 8.170 3.160 ( -0.201 0.000 -3.450) 3.456 3.292 ( -3.238 0.000 -7.165) 7.863 3.418 ( 3.696 0.000 -1.661) 4.052 3.429 ( 12.521 0.000 4.116) 13.180 3.620 ( -5.119 0.000 -0.995) 5.215 3.704 ( 4.478 0.000 -5.350) 6.977 3.769 ( 7.729 0.000 -5.789) 9.656 3.857 ( -1.900 0.000 -3.835) 4.280 4.021 ( -8.843 0.000 3.658) 9.570 4.056 ( 3.819 0.000 4.222) 5.693 4.116 ( -7.092 0.000 -3.940) 8.113 4.244 ( 3.618 0.000 2.298) 4.286 4.309 ( -0.859 0.000 2.331) 2.484 4.351 ( -5.000 0.000 -1.286) 5.163 4.400 ( 1.788 0.000 2.486) 3.062 4.453 ( 0.425 0.000 -0.152) 0.452 4.501 ( -2.471 0.000 1.088) 2.700 4.509 ( 0.246 0.000 0.311) 0.397 4.557 ( 8.794 0.000 -0.887) 8.839 4.757 ( 0.966 0.000 -1.085) 1.453 4.965 ( -2.058 0.000 1.323) 2.447 5.009 ( -6.819 0.000 0.253) 6.824 5.101 ( 0.850 0.000 -0.621) 1.053 5.154 ( -1.066 0.000 -1.901) 2.180 7.076 ( 2.902 0.000 -0.988) 3.065 7.161 ( -0.581 0.000 -2.718) 2.780 7.193 ( 0.848 0.000 -0.620) 1.051 7.247 ( -1.411 0.000 -1.983) 2.434 7.376 ( 4.289 0.000 1.316) 4.487 7.497 ( -2.214 0.000 -1.545) 2.700 7.709 ( 2.716 0.000 3.361) 4.322 7.774 ( -0.217 0.000 4.041) 4.047 10.183 ( 3.507 0.000 1.025) 3.653 10.386 ( -5.292 0.000 -1.255) 5.439 10.514 ( -2.409 0.000 0.453) 2.451 10.515 ( -1.831 0.000 1.554) 2.402 10.823 ( -0.582 0.000 -0.012) 0.582 10.905 ( -4.662 0.000 -1.788) 4.993 11.062 ( 7.380 0.000 2.389) 7.757 11.298 ( -1.844 0.000 -0.121) 1.848 11.472 ( 6.627 0.000 0.042) 6.627 11.551 ( 0.243 0.000 -1.698) 1.715 11.728 ( -2.932 0.000 2.043) 3.574 11.739 ( -3.363 0.000 1.206) 3.573 12.992 ( 4.388 0.000 -0.533) 4.420 13.008 ( 2.419 0.000 -0.111) 2.421 13.045 ( 0.591 0.000 -0.770) 0.971 13.090 ( 6.714 0.000 1.147) 6.811 13.098 ( -2.565 0.000 -1.347) 2.897 13.189 ( -5.480 0.000 -0.862) 5.547 13.200 ( -4.293 0.000 1.447) 4.530 13.301 ( 0.103 0.000 1.355) 1.359 13.358 ( 2.189 0.000 3.792) 4.378 13.379 ( -3.192 0.000 -1.667) 3.601 13.423 ( -5.245 0.000 -3.645) 6.387 13.507 ( 3.241 0.000 1.497) 3.570 13.536 ( -6.826 0.000 4.253) 8.042 13.635 ( -3.941 0.000 3.115) 5.023 13.730 ( -1.831 0.000 -0.473) 1.891 13.765 ( -4.501 0.000 -5.035) 6.753 13.828 ( 7.256 0.000 -4.566) 8.573 13.947 ( 2.899 0.000 0.773) 3.001 14.028 ( -0.841 0.000 -2.328) 2.475 14.088 ( -5.256 0.000 -10.063) 11.353 15.077 ( 0.280 0.000 1.056) 1.092 15.084 ( 0.014 0.000 3.789) 3.789 15.186 ( 2.327 0.000 3.583) 4.273 15.193 ( 1.009 0.000 3.427) 3.572 15.490 ( 8.711 0.000 -0.174) 8.713 15.543 ( 3.152 0.000 4.673) 5.637 15.728 ( -5.208 0.000 -3.527) 6.290 15.862 ( -8.973 0.000 -1.437) 9.088 ======================= Grid point 49 (20/60) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.896 ( -5.218 0.000 -2.393) 5.740 0.896 ( 5.218 0.000 -2.393) 5.740 0.970 ( -7.726 0.000 -0.684) 7.756 0.970 ( 7.726 0.000 -0.684) 7.756 1.139 ( -0.349 0.000 -3.446) 3.463 1.139 ( 0.349 0.000 -3.446) 3.463 1.199 ( -0.001 0.000 -0.992) 0.992 1.199 ( 0.001 0.000 -0.992) 0.992 1.262 ( -2.253 0.000 -2.489) 3.357 1.262 ( 2.253 0.000 -2.489) 3.357 1.365 ( -1.122 0.000 -0.489) 1.224 1.365 ( 1.122 0.000 -0.489) 1.224 1.435 ( -1.718 0.000 -5.190) 5.467 1.435 ( 1.718 0.000 -5.190) 5.467 1.555 ( -0.341 0.000 -4.571) 4.584 1.555 ( 0.341 0.000 -4.571) 4.584 1.575 ( -0.036 0.000 0.076) 0.084 1.575 ( 0.036 0.000 0.076) 0.084 1.626 ( -2.634 0.000 -2.675) 3.754 1.626 ( 2.634 0.000 -2.675) 3.754 1.676 ( -0.007 0.000 -3.476) 3.476 1.676 ( 0.007 0.000 -3.476) 3.476 1.701 ( -0.061 0.000 -2.532) 2.533 1.701 ( 0.061 0.000 -2.532) 2.533 1.775 ( -0.762 0.000 0.580) 0.958 1.775 ( 0.762 0.000 0.580) 0.958 1.861 ( -0.029 0.000 0.324) 0.325 1.861 ( 0.029 0.000 0.324) 0.325 1.923 ( -0.326 0.000 -0.854) 0.914 1.923 ( 0.326 0.000 -0.854) 0.914 1.941 ( -1.338 0.000 0.683) 1.503 1.941 ( 1.338 0.000 0.683) 1.503 2.070 ( -0.110 0.000 -0.555) 0.566 2.070 ( 0.110 0.000 -0.555) 0.566 2.133 ( -4.373 0.000 2.170) 4.882 2.133 ( 4.373 0.000 2.170) 4.882 2.185 ( -0.707 0.000 -1.189) 1.383 2.185 ( 0.707 0.000 -1.189) 1.383 2.250 ( -0.005 0.000 -0.251) 0.251 2.250 ( 0.005 0.000 -0.251) 0.251 2.334 ( -5.044 0.000 -1.602) 5.292 2.334 ( 5.044 0.000 -1.602) 5.292 2.381 ( -0.017 0.000 0.070) 0.072 2.381 ( 0.017 0.000 0.070) 0.072 2.485 ( -0.527 0.000 -4.043) 4.078 2.485 ( 0.527 0.000 -4.043) 4.078 2.537 ( -1.007 0.000 1.023) 1.436 2.537 ( 1.007 0.000 1.023) 1.436 2.603 ( -4.360 0.000 6.391) 7.737 2.603 ( 4.360 0.000 6.391) 7.737 2.623 ( -1.095 0.000 2.319) 2.565 2.623 ( 1.095 0.000 2.319) 2.565 2.740 ( -1.116 0.000 8.612) 8.684 2.740 ( 1.116 0.000 8.612) 8.684 2.786 ( -1.435 0.000 7.778) 7.909 2.786 ( 1.435 0.000 7.778) 7.909 2.930 ( -0.001 0.000 -2.676) 2.676 2.930 ( 0.001 0.000 -2.676) 2.676 3.079 ( -0.210 0.000 5.191) 5.195 3.079 ( 0.210 0.000 5.191) 5.195 3.207 ( -2.164 0.000 -5.749) 6.142 3.207 ( 2.164 0.000 -5.749) 6.142 3.511 ( -4.011 0.000 -1.235) 4.197 3.511 ( 4.011 0.000 -1.235) 4.197 3.705 ( -10.636 0.000 1.438) 10.732 3.705 ( 10.636 0.000 1.438) 10.732 3.819 ( -0.350 0.000 -2.078) 2.107 3.819 ( 0.350 0.000 -2.078) 2.107 3.945 ( -7.434 0.000 -4.510) 8.695 3.945 ( 7.434 0.000 -4.510) 8.695 4.202 ( -7.023 0.000 3.442) 7.822 4.202 ( 7.023 0.000 3.442) 7.822 4.304 ( -1.933 0.000 -0.178) 1.941 4.304 ( 1.933 0.000 -0.178) 1.941 4.441 ( -0.487 0.000 1.725) 1.793 4.441 ( 0.487 0.000 1.725) 1.793 4.496 ( -0.931 0.000 0.303) 0.979 4.496 ( 0.931 0.000 0.303) 0.979 4.715 ( -5.518 0.000 -0.707) 5.563 4.715 ( 5.518 0.000 -0.707) 5.563 4.932 ( -0.004 0.000 0.506) 0.506 4.932 ( 0.004 0.000 0.506) 0.506 5.127 ( -1.575 0.000 -1.629) 2.266 5.127 ( 1.575 0.000 -1.629) 2.266 7.131 ( -1.916 0.000 -1.300) 2.316 7.131 ( 1.916 0.000 -1.300) 2.316 7.216 ( -0.281 0.000 -1.681) 1.704 7.216 ( 0.281 0.000 -1.681) 1.704 7.448 ( -1.018 0.000 0.036) 1.018 7.448 ( 1.018 0.000 0.036) 1.018 7.753 ( -0.593 0.000 4.121) 4.164 7.753 ( 0.593 0.000 4.121) 4.164 10.274 ( -5.403 0.000 0.302) 5.411 10.274 ( 5.403 0.000 0.302) 5.411 10.495 ( -0.097 0.000 -0.052) 0.111 10.495 ( 0.097 0.000 -0.052) 0.111 10.836 ( -1.057 0.000 -0.998) 1.454 10.836 ( 1.057 0.000 -0.998) 1.454 11.206 ( -6.159 0.000 1.713) 6.393 11.206 ( 6.159 0.000 1.713) 6.393 11.565 ( -0.553 0.000 -2.533) 2.593 11.565 ( 0.553 0.000 -2.533) 2.593 11.686 ( -0.035 0.000 3.498) 3.498 11.686 ( 0.035 0.000 3.498) 3.498 13.031 ( -0.056 0.000 -1.162) 1.163 13.031 ( 0.056 0.000 -1.162) 1.163 13.095 ( -0.991 0.000 -1.990) 2.223 13.095 ( 0.991 0.000 -1.990) 2.223 13.108 ( -0.024 0.000 0.267) 0.268 13.108 ( 0.024 0.000 0.267) 0.268 13.265 ( -7.732 0.000 -0.275) 7.736 13.265 ( 7.732 0.000 -0.275) 7.736 13.318 ( -2.383 0.000 -0.384) 2.414 13.318 ( 2.383 0.000 -0.384) 2.414 13.429 ( -4.051 0.000 4.711) 6.213 13.429 ( 4.051 0.000 4.711) 6.213 13.580 ( -3.442 0.000 2.618) 4.325 13.580 ( 3.442 0.000 2.618) 4.325 13.711 ( -0.117 0.000 -2.868) 2.870 13.711 ( 0.117 0.000 -2.868) 2.870 13.967 ( -3.884 0.000 -7.123) 8.113 13.967 ( 3.884 0.000 -7.123) 8.113 13.998 ( -0.366 0.000 -0.758) 0.842 13.998 ( 0.366 0.000 -0.758) 0.842 15.081 ( -0.006 0.000 2.547) 2.547 15.081 ( 0.006 0.000 2.547) 2.547 15.205 ( -0.000 0.000 4.241) 4.241 15.205 ( 0.000 0.000 4.241) 4.241 15.622 ( -3.019 0.000 -1.568) 3.402 15.622 ( 3.019 0.000 -1.568) 3.402 15.680 ( -5.456 0.000 -0.227) 5.461 15.680 ( 5.456 0.000 -0.227) 5.461 ======================= Grid point 54 (21/60) ======================= q-point: ( 0.00 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.391 ( 0.000 8.128 11.352) 13.962 0.396 ( 0.000 11.243 7.805) 13.687 0.721 ( 0.000 -5.447 4.628) 7.148 0.861 ( 0.000 15.252 9.957) 18.215 0.864 ( 0.000 -5.078 3.001) 5.898 0.989 ( 0.000 -4.237 -4.195) 5.962 1.082 ( 0.000 2.030 -0.366) 2.062 1.131 ( 0.000 2.812 -2.609) 3.836 1.180 ( 0.000 2.989 1.645) 3.412 1.287 ( 0.000 -2.425 -5.974) 6.448 1.308 ( 0.000 2.556 3.029) 3.963 1.322 ( 0.000 2.580 0.611) 2.652 1.365 ( 0.000 1.976 0.496) 2.037 1.399 ( 0.000 -4.623 -2.796) 5.402 1.456 ( 0.000 -1.090 -2.502) 2.729 1.538 ( 0.000 -1.212 -0.165) 1.224 1.550 ( 0.000 -1.289 1.572) 2.033 1.602 ( 0.000 1.191 0.934) 1.513 1.607 ( 0.000 -6.773 0.431) 6.786 1.625 ( 0.000 1.071 -0.013) 1.071 1.695 ( 0.000 2.773 -1.885) 3.353 1.706 ( 0.000 3.349 7.135) 7.882 1.755 ( 0.000 -0.109 0.724) 0.732 1.768 ( 0.000 -1.199 -5.093) 5.232 1.820 ( 0.000 2.421 2.355) 3.378 1.844 ( 0.000 -1.449 -1.993) 2.464 1.848 ( 0.000 1.003 -1.972) 2.213 1.886 ( 0.000 1.403 -4.904) 5.100 1.915 ( 0.000 -0.342 1.031) 1.086 1.934 ( 0.000 -1.649 1.146) 2.008 1.963 ( 0.000 -1.161 4.583) 4.728 1.996 ( 0.000 -0.197 0.479) 0.518 2.026 ( 0.000 -0.839 0.088) 0.844 2.056 ( 0.000 -1.403 -0.888) 1.660 2.088 ( 0.000 -2.608 -1.467) 2.992 2.092 ( 0.000 0.507 1.222) 1.323 2.121 ( 0.000 -0.682 -1.354) 1.516 2.162 ( 0.000 -4.759 2.573) 5.410 2.166 ( 0.000 2.128 -2.284) 3.121 2.250 ( 0.000 0.299 1.710) 1.736 2.343 ( 0.000 1.269 -0.391) 1.328 2.383 ( 0.000 -0.305 -4.947) 4.957 2.413 ( 0.000 1.571 -0.043) 1.572 2.433 ( 0.000 5.888 -2.046) 6.234 2.433 ( 0.000 4.797 0.554) 4.829 2.515 ( 0.000 0.472 2.441) 2.487 2.536 ( 0.000 -2.181 1.363) 2.572 2.546 ( 0.000 0.370 0.894) 0.968 2.562 ( 0.000 -1.919 3.026) 3.584 2.671 ( 0.000 -3.206 -2.076) 3.819 2.753 ( 0.000 0.334 0.559) 0.651 2.809 ( 0.000 -1.719 -5.606) 5.864 2.815 ( 0.000 1.209 -2.147) 2.464 2.872 ( 0.000 -5.590 0.684) 5.631 2.886 ( 0.000 -1.131 -0.562) 1.263 2.928 ( 0.000 -2.439 1.181) 2.710 3.010 ( 0.000 0.109 2.144) 2.147 3.122 ( 0.000 2.520 -3.008) 3.924 3.127 ( 0.000 -3.799 6.169) 7.245 3.165 ( 0.000 3.393 1.832) 3.856 3.246 ( 0.000 -1.287 -6.732) 6.853 3.259 ( 0.000 2.478 -4.735) 5.345 3.393 ( 0.000 3.531 -6.577) 7.465 3.452 ( 0.000 3.557 8.826) 9.516 3.534 ( 0.000 -3.724 0.509) 3.759 3.639 ( 0.000 -4.660 8.209) 9.439 3.851 ( 0.000 2.185 -0.963) 2.388 3.870 ( 0.000 -0.417 -1.767) 1.815 3.953 ( 0.000 1.133 3.058) 3.262 3.991 ( 0.000 2.035 -2.112) 2.933 4.065 ( 0.000 3.108 -1.157) 3.316 4.093 ( 0.000 -2.075 -3.834) 4.360 4.179 ( 0.000 -5.131 2.326) 5.634 4.244 ( 0.000 1.045 3.915) 4.052 4.438 ( 0.000 -0.954 -4.023) 4.134 4.541 ( 0.000 -3.436 0.299) 3.449 4.550 ( 0.000 -0.806 1.576) 1.770 4.598 ( 0.000 -8.119 -3.873) 8.995 4.612 ( 0.000 7.881 4.003) 8.839 4.865 ( 0.000 -3.121 -0.262) 3.132 5.058 ( 0.000 6.152 -3.725) 7.192 5.099 ( 0.000 7.641 -4.124) 8.683 5.245 ( 0.000 2.452 -4.448) 5.079 5.283 ( 0.000 -1.562 2.676) 3.098 6.921 ( 0.000 1.566 -1.680) 2.296 6.962 ( 0.000 1.865 -3.001) 3.533 7.101 ( 0.000 -3.971 2.214) 4.547 7.134 ( 0.000 -3.428 1.446) 3.721 7.285 ( 0.000 3.729 0.434) 3.754 7.487 ( 0.000 -5.024 -2.848) 5.775 7.611 ( 0.000 0.764 2.148) 2.280 7.657 ( 0.000 -6.269 7.395) 9.695 10.177 ( 0.000 4.353 0.741) 4.416 10.434 ( 0.000 -5.945 -4.296) 7.335 10.669 ( 0.000 0.918 5.732) 5.806 10.737 ( 0.000 -1.823 5.068) 5.386 10.777 ( 0.000 1.144 3.052) 3.259 10.824 ( 0.000 -0.887 3.929) 4.028 11.164 ( 0.000 2.755 -0.589) 2.817 11.238 ( 0.000 0.207 -1.339) 1.355 11.323 ( 0.000 6.532 -4.635) 8.010 11.565 ( 0.000 -3.497 -8.833) 9.501 11.791 ( 0.000 1.819 4.516) 4.869 11.899 ( 0.000 -2.335 4.205) 4.810 12.812 ( 0.000 3.011 3.321) 4.483 12.880 ( 0.000 2.980 2.614) 3.964 12.940 ( 0.000 -2.572 6.486) 6.977 12.991 ( 0.000 4.655 -1.847) 5.008 13.137 ( 0.000 -6.925 2.466) 7.351 13.287 ( 0.000 -4.322 -1.603) 4.610 13.312 ( 0.000 0.039 -1.881) 1.881 13.333 ( 0.000 -0.253 -2.932) 2.943 13.492 ( 0.000 2.252 -0.863) 2.412 13.494 ( 0.000 0.862 -2.137) 2.304 13.528 ( 0.000 -0.368 -0.987) 1.053 13.556 ( 0.000 1.894 -1.453) 2.387 13.566 ( 0.000 0.885 0.873) 1.244 13.622 ( 0.000 10.094 3.302) 10.620 13.680 ( 0.000 -3.786 1.395) 4.035 13.855 ( 0.000 -1.837 6.485) 6.740 13.896 ( 0.000 -7.840 -4.322) 8.953 14.006 ( 0.000 -4.279 -2.738) 5.080 14.101 ( 0.000 3.204 -5.708) 6.546 14.250 ( 0.000 -2.845 -2.889) 4.055 14.981 ( 0.000 2.041 0.037) 2.042 15.019 ( 0.000 -0.802 -1.450) 1.656 15.144 ( 0.000 0.454 4.840) 4.861 15.159 ( 0.000 -1.322 1.046) 1.686 15.369 ( 0.000 14.120 -2.053) 14.269 15.829 ( 0.000 -6.691 -2.982) 7.325 15.980 ( 0.000 4.689 -3.333) 5.752 16.143 ( 0.000 -2.655 -4.191) 4.961 ======================= Grid point 55 (22/60) ======================= q-point: ( 0.12 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.436 ( 6.751 8.801 5.352) 12.316 0.502 ( 7.120 9.555 6.354) 13.504 0.780 ( 5.391 -5.805 3.412) 8.625 0.894 ( 2.951 -5.114 2.464) 6.398 0.967 ( 6.378 3.681 -0.040) 7.364 1.031 ( 5.310 -1.179 -2.393) 5.942 1.092 ( 1.465 3.278 2.036) 4.128 1.130 ( 0.495 2.317 -0.955) 2.555 1.210 ( 2.034 3.034 -1.552) 3.969 1.276 ( -1.903 0.169 -0.588) 1.999 1.303 ( 0.938 0.416 -1.101) 1.505 1.322 ( 1.137 -0.070 -1.594) 1.960 1.363 ( 0.934 1.684 0.540) 2.000 1.428 ( 0.576 -2.285 0.091) 2.359 1.489 ( 2.774 0.162 -3.096) 4.160 1.517 ( -1.064 -2.257 0.328) 2.517 1.566 ( -0.395 -0.627 0.687) 1.010 1.585 ( -1.665 -6.178 1.043) 6.483 1.609 ( 0.654 3.231 0.132) 3.300 1.628 ( 0.771 1.431 -0.668) 1.757 1.666 ( -0.428 2.446 1.058) 2.699 1.723 ( -1.235 1.423 1.620) 2.485 1.753 ( 0.168 1.278 -0.105) 1.294 1.765 ( 1.055 0.863 0.693) 1.529 1.813 ( -0.936 -0.364 -2.272) 2.484 1.821 ( -0.873 1.888 -1.574) 2.609 1.882 ( 1.867 -1.418 -2.050) 3.114 1.899 ( -1.166 -0.326 -2.273) 2.575 1.919 ( 0.174 -1.757 -0.114) 1.769 1.948 ( 1.912 0.400 0.622) 2.050 1.964 ( 0.776 -1.944 2.419) 3.199 1.982 ( 0.026 1.247 2.064) 2.412 2.035 ( -0.991 -1.462 -0.347) 1.800 2.051 ( 0.493 -1.618 1.241) 2.098 2.078 ( -0.801 -2.137 -1.700) 2.846 2.100 ( 0.177 0.206 -0.283) 0.393 2.124 ( -0.046 -0.041 -1.644) 1.646 2.152 ( 0.178 0.505 -0.413) 0.676 2.174 ( 0.545 -2.588 2.008) 3.321 2.243 ( -0.804 -0.013 1.799) 1.970 2.341 ( 0.006 0.782 -0.486) 0.921 2.375 ( -0.786 0.049 -4.537) 4.605 2.402 ( -1.333 1.317 -0.004) 1.874 2.428 ( 0.018 5.117 -0.959) 5.206 2.447 ( 0.564 3.718 -0.108) 3.762 2.499 ( -1.295 0.985 0.713) 1.777 2.528 ( -1.157 -0.512 1.417) 1.899 2.538 ( 0.948 -0.727 2.351) 2.637 2.585 ( 1.179 -0.523 3.855) 4.065 2.655 ( -1.707 -3.972 -1.784) 4.677 2.728 ( -1.565 -0.028 -0.182) 1.576 2.762 ( -4.740 1.447 -2.745) 5.666 2.823 ( -1.756 -2.630 0.325) 3.179 2.867 ( 0.886 1.561 -3.291) 3.749 2.877 ( -0.242 -6.063 0.382) 6.080 2.918 ( -0.549 -3.344 0.978) 3.527 2.999 ( -1.415 1.753 0.778) 2.384 3.057 ( -4.238 1.332 -0.882) 4.529 3.150 ( 0.081 -1.113 6.023) 6.125 3.163 ( -0.611 1.655 3.493) 3.913 3.225 ( 0.276 0.474 -4.347) 4.382 3.311 ( 1.470 -1.175 -5.279) 5.604 3.372 ( -2.750 4.530 4.153) 6.733 3.440 ( -4.093 0.747 -1.863) 4.559 3.486 ( 2.811 2.432 -1.361) 3.958 3.651 ( 1.127 -4.267 4.032) 5.978 3.810 ( -3.403 1.488 -2.401) 4.423 3.844 ( -3.225 -1.645 -0.949) 3.743 3.953 ( 0.089 1.872 1.341) 2.304 4.040 ( 4.313 0.258 -0.330) 4.334 4.096 ( 2.789 0.243 -1.235) 3.060 4.140 ( 3.816 -2.934 -1.587) 5.068 4.192 ( 1.447 -2.067 2.608) 3.629 4.279 ( 3.049 -0.225 3.063) 4.328 4.425 ( -1.746 -2.540 -1.360) 3.369 4.505 ( -2.771 -1.704 0.378) 3.275 4.523 ( -2.299 -0.288 -0.066) 2.318 4.615 ( 1.518 -3.546 -2.943) 4.852 4.629 ( 1.221 5.591 1.332) 5.875 4.809 ( -4.426 1.652 -0.362) 4.739 5.068 ( -2.178 6.854 -3.794) 8.131 5.088 ( 1.540 2.174 -2.783) 3.853 5.185 ( -3.684 2.445 1.327) 4.616 5.253 ( -3.217 -1.235 2.080) 4.025 6.960 ( 2.442 0.406 -2.555) 3.558 7.053 ( 4.651 -3.178 -5.915) 8.169 7.118 ( 1.197 -2.896 2.116) 3.781 7.171 ( 4.513 -3.846 1.402) 6.093 7.296 ( 1.519 4.884 -1.558) 5.347 7.520 ( 3.006 -4.524 -2.560) 6.005 7.589 ( -1.015 0.591 3.590) 3.777 7.695 ( 2.587 -3.930 4.695) 6.647 10.176 ( -0.121 4.166 0.965) 4.278 10.426 ( -0.802 -5.823 -3.946) 7.080 10.635 ( -3.119 0.702 5.111) 6.028 10.688 ( -4.633 -1.300 3.732) 6.090 10.808 ( 3.545 0.484 4.184) 5.505 10.844 ( 1.186 -0.735 3.048) 3.352 11.151 ( -1.857 3.495 -0.932) 4.066 11.247 ( 0.906 -0.325 -1.176) 1.520 11.325 ( 1.019 5.717 -4.114) 7.117 11.551 ( -1.110 -3.600 -7.790) 8.653 11.792 ( 0.007 1.692 4.239) 4.564 11.873 ( -2.515 -1.374 3.776) 4.741 12.828 ( 2.230 2.424 2.761) 4.298 12.911 ( 2.662 0.748 1.888) 3.348 12.970 ( 1.819 0.104 4.098) 4.485 12.992 ( 1.056 3.084 -0.630) 3.320 13.181 ( 1.825 -6.975 2.871) 7.761 13.232 ( -4.365 -4.030 -1.705) 6.180 13.298 ( -0.792 0.997 0.194) 1.288 13.377 ( 3.058 -2.616 -6.120) 7.324 13.449 ( -3.048 1.019 -1.341) 3.482 13.488 ( -2.307 1.492 -2.140) 3.483 13.516 ( -3.448 1.773 0.261) 3.886 13.531 ( 1.324 1.514 -0.849) 2.183 13.587 ( 0.597 3.589 0.889) 3.746 13.630 ( 1.057 0.980 0.543) 1.540 13.700 ( 1.836 -0.893 3.785) 4.300 13.828 ( -2.135 -1.755 4.772) 5.515 13.897 ( -1.196 -5.963 -5.648) 8.300 13.959 ( -2.712 -4.269 -2.457) 5.623 14.113 ( -2.935 2.620 -2.424) 4.621 14.168 ( -3.632 -1.724 -3.720) 5.478 15.007 ( 2.487 1.111 -0.220) 2.733 15.015 ( -0.309 -1.171 -1.647) 2.044 15.141 ( 0.045 0.282 4.244) 4.253 15.183 ( 1.751 -1.103 1.730) 2.698 15.371 ( 0.495 13.155 -2.329) 13.369 15.792 ( -6.623 -0.476 -0.809) 6.689 15.842 ( -5.845 4.928 3.071) 8.239 16.100 ( -4.144 -3.027 -3.362) 6.135 ======================= Grid point 56 (23/60) ======================= q-point: ( 0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.606 ( 9.661 5.538 0.903) 11.172 0.658 ( 8.834 7.944 3.101) 12.279 0.882 ( 4.471 -6.404 -0.817) 7.853 0.968 ( 3.556 -4.091 -0.343) 5.432 1.040 ( 2.858 0.712 -6.295) 6.950 1.110 ( 3.156 0.365 -0.382) 3.200 1.131 ( 1.767 0.121 -5.490) 5.769 1.182 ( 2.513 1.897 2.690) 4.142 1.242 ( 0.492 0.676 -1.191) 1.455 1.271 ( 0.915 0.612 1.016) 1.497 1.333 ( 1.916 -1.149 0.123) 2.238 1.363 ( 4.452 0.190 -1.676) 4.761 1.387 ( 0.874 -1.154 -1.931) 2.414 1.422 ( -1.520 0.260 -2.030) 2.549 1.482 ( -2.727 -2.784 -1.766) 4.278 1.515 ( -0.322 0.063 -0.739) 0.809 1.549 ( -0.885 -0.916 -1.406) 1.897 1.591 ( 1.265 -1.480 1.085) 2.229 1.612 ( 1.154 1.466 -0.281) 1.887 1.650 ( 0.318 1.260 -2.100) 2.470 1.682 ( 1.107 4.955 2.545) 5.680 1.724 ( 2.763 0.204 1.819) 3.314 1.751 ( -0.502 0.881 -1.302) 1.650 1.767 ( -1.341 0.515 -1.429) 2.026 1.798 ( -1.186 -0.091 -0.835) 1.453 1.815 ( 0.444 1.103 -1.107) 1.625 1.854 ( -1.509 0.636 -2.262) 2.792 1.893 ( -1.849 -1.665 -0.657) 2.573 1.924 ( 0.328 -0.263 -2.716) 2.748 1.952 ( 0.223 -1.104 -0.861) 1.418 1.987 ( -0.912 -0.096 0.811) 1.224 1.993 ( -0.557 1.458 0.870) 1.787 2.023 ( -1.759 -0.065 -1.785) 2.506 2.045 ( 3.389 -1.160 1.221) 3.784 2.091 ( 0.730 -0.371 -0.582) 1.004 2.108 ( 0.787 0.218 -0.678) 1.061 2.126 ( 1.234 -1.985 1.403) 2.727 2.175 ( 0.755 -2.750 2.711) 3.934 2.182 ( 1.311 -0.214 1.263) 1.833 2.223 ( -0.871 -0.518 1.002) 1.425 2.339 ( -1.392 0.309 -2.710) 3.063 2.356 ( -0.692 0.952 -1.581) 1.971 2.370 ( -1.109 0.138 -0.471) 1.213 2.428 ( -0.060 3.896 0.424) 3.919 2.450 ( 0.202 -0.041 0.638) 0.670 2.486 ( -0.423 2.651 -0.971) 2.855 2.512 ( -0.209 -1.408 1.567) 2.117 2.566 ( 2.019 1.182 5.089) 5.601 2.602 ( -1.695 -4.587 0.409) 4.907 2.613 ( 0.039 1.966 2.121) 2.892 2.656 ( -5.404 2.241 -1.622) 6.071 2.697 ( -1.765 -0.994 2.138) 2.945 2.766 ( -3.388 -2.463 3.598) 5.522 2.826 ( -3.602 1.687 -2.603) 4.753 2.879 ( -0.456 -0.130 -0.798) 0.928 2.948 ( -0.190 -6.196 2.004) 6.515 2.963 ( -1.802 1.085 1.078) 2.364 2.995 ( 0.559 1.649 -2.794) 3.292 3.093 ( -5.146 0.859 9.794) 11.097 3.155 ( -1.143 -1.209 4.011) 4.343 3.232 ( -5.049 -1.473 -0.168) 5.262 3.265 ( 1.758 2.027 -1.486) 3.067 3.335 ( 0.189 3.724 3.652) 5.219 3.445 ( 2.877 4.259 -7.327) 8.950 3.585 ( 6.272 0.267 -6.080) 8.740 3.687 ( 1.722 -0.275 -1.748) 2.469 3.728 ( -4.684 0.144 -2.844) 5.481 3.792 ( -0.143 -6.112 2.212) 6.501 3.954 ( -0.020 0.774 0.256) 0.816 4.105 ( -1.072 -5.620 -2.607) 6.287 4.133 ( 2.965 -0.240 1.509) 3.335 4.202 ( 1.296 -2.795 0.741) 3.169 4.249 ( 3.655 0.764 1.368) 3.976 4.340 ( 1.301 -2.443 2.844) 3.968 4.361 ( -2.106 -1.287 3.710) 4.456 4.450 ( -3.064 -0.474 -0.165) 3.105 4.488 ( -0.529 1.835 -2.415) 3.079 4.645 ( 1.209 8.996 -0.389) 9.085 4.663 ( 2.301 -1.560 -2.810) 3.953 4.734 ( -2.527 4.403 -0.343) 5.088 5.024 ( -2.150 3.329 -0.765) 4.036 5.096 ( -1.567 -0.219 -0.472) 1.651 5.129 ( -2.162 0.629 0.321) 2.274 5.169 ( -4.659 -1.298 0.704) 4.887 7.011 ( 2.658 -0.306 -1.787) 3.218 7.102 ( 1.569 -4.180 -3.970) 5.974 7.135 ( 0.628 -1.746 1.269) 2.248 7.236 ( 1.191 -4.352 2.208) 5.023 7.356 ( 4.030 5.963 -4.423) 8.448 7.570 ( 0.484 2.559 0.435) 2.641 7.596 ( 2.770 -3.646 0.937) 4.674 7.740 ( 1.863 -2.556 4.105) 5.182 10.179 ( 0.753 3.771 1.040) 3.983 10.407 ( -0.974 -5.123 -3.324) 6.184 10.566 ( -3.693 0.176 3.199) 4.889 10.577 ( -6.431 -0.757 3.002) 7.137 10.853 ( 0.174 0.765 2.095) 2.237 10.905 ( 5.719 -1.204 3.504) 6.814 11.085 ( -4.473 5.586 -1.676) 7.350 11.269 ( 0.973 -1.883 -1.011) 2.348 11.380 ( 4.502 3.204 -2.037) 5.889 11.533 ( -0.525 -3.154 -4.567) 5.575 11.782 ( -1.472 1.210 3.239) 3.758 11.813 ( -3.296 0.175 2.121) 3.923 12.902 ( 5.061 1.290 1.682) 5.487 12.952 ( 0.637 -0.963 0.078) 1.157 12.999 ( 3.186 1.303 -0.668) 3.506 13.030 ( 0.864 -0.409 0.687) 1.176 13.155 ( -2.897 -1.535 -0.422) 3.306 13.177 ( -1.799 -4.403 3.234) 5.752 13.291 ( 0.161 0.951 1.569) 1.842 13.352 ( -3.840 -0.682 -1.113) 4.056 13.410 ( -3.778 1.939 -0.919) 4.345 13.454 ( 0.057 -1.301 -4.080) 4.283 13.476 ( -0.037 2.903 0.580) 2.960 13.500 ( -3.084 4.854 -0.472) 5.771 13.604 ( -2.854 -3.018 1.523) 4.425 13.655 ( 4.426 -2.257 -1.628) 5.228 13.728 ( -0.786 -1.110 2.330) 2.698 13.795 ( -0.941 -0.327 0.891) 1.336 13.814 ( -7.166 -2.520 -1.793) 7.805 13.900 ( -2.390 -1.688 -5.460) 6.194 14.038 ( -0.839 0.843 1.592) 1.987 14.163 ( 0.145 -0.645 -3.563) 3.624 15.008 ( -0.325 -1.774 -1.995) 2.690 15.068 ( 3.306 -1.259 -0.752) 3.617 15.146 ( 0.333 1.232 4.581) 4.755 15.212 ( 1.305 0.132 1.644) 2.104 15.406 ( 3.285 7.923 -2.468) 8.925 15.651 ( -5.263 6.566 3.946) 9.295 15.787 ( -2.348 -0.950 0.326) 2.554 15.994 ( -6.401 -2.795 -1.382) 7.120 ======================= Grid point 57 (24/60) ======================= q-point: ( 0.38 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.787 ( 8.496 3.377 -1.548) 9.273 0.835 ( 8.924 4.837 1.290) 10.232 0.952 ( 1.706 -2.604 -3.945) 5.025 1.009 ( 1.878 -3.279 -1.982) 4.267 1.092 ( 1.485 2.888 -5.600) 6.473 1.138 ( 0.121 1.581 -3.006) 3.398 1.189 ( 3.325 -0.704 -0.384) 3.420 1.217 ( 0.164 -2.285 -0.949) 2.480 1.234 ( 0.186 0.358 0.750) 0.852 1.287 ( 0.764 -0.511 -2.316) 2.492 1.360 ( -2.933 0.629 0.052) 3.001 1.377 ( -1.298 0.745 -4.171) 4.432 1.385 ( 1.998 -0.762 0.269) 2.155 1.441 ( 0.898 -1.896 -6.539) 6.868 1.484 ( 2.523 -3.700 1.812) 4.831 1.498 ( 1.141 1.923 -3.514) 4.165 1.538 ( -0.395 -3.147 -1.846) 3.670 1.583 ( -0.549 0.793 -0.558) 1.114 1.637 ( 0.284 0.466 -0.391) 0.672 1.655 ( -0.097 -1.186 -3.236) 3.447 1.688 ( -0.495 1.387 -2.630) 3.014 1.711 ( -2.329 2.018 -1.739) 3.539 1.739 ( -2.972 -0.405 -1.280) 3.261 1.750 ( -1.443 -0.371 0.471) 1.563 1.770 ( -0.132 -0.965 -2.655) 2.827 1.802 ( -1.175 2.984 -1.897) 3.726 1.852 ( -1.196 0.022 0.405) 1.263 1.887 ( -1.163 0.083 -1.740) 2.094 1.894 ( 1.474 0.197 -2.068) 2.547 1.949 ( -0.107 1.436 -0.471) 1.515 1.979 ( -0.491 0.004 -0.804) 0.942 1.990 ( -0.172 1.496 0.810) 1.710 2.026 ( 2.683 0.338 -2.781) 3.879 2.071 ( -1.746 -1.544 -0.771) 2.455 2.103 ( -0.098 0.733 -0.297) 0.797 2.138 ( 4.175 2.078 1.358) 4.857 2.150 ( -1.251 -2.054 3.066) 3.896 2.175 ( 2.064 -1.768 2.120) 3.447 2.218 ( 0.251 -1.444 0.628) 1.594 2.250 ( 2.491 -0.470 -0.840) 2.670 2.307 ( 1.107 0.810 -1.593) 2.103 2.348 ( -0.261 -0.873 -0.422) 1.005 2.362 ( -0.331 0.273 -0.292) 0.519 2.420 ( -0.914 0.991 0.868) 1.603 2.448 ( -2.175 -2.339 -2.064) 3.803 2.474 ( -0.012 0.508 2.633) 2.681 2.514 ( -0.132 -1.824 1.860) 2.608 2.554 ( -1.377 -1.386 1.868) 2.703 2.571 ( -1.130 2.063 -0.387) 2.384 2.629 ( -0.079 0.945 2.825) 2.980 2.639 ( 3.906 0.650 7.505) 8.485 2.668 ( -0.965 2.230 2.728) 3.654 2.693 ( -3.773 -1.617 5.751) 7.066 2.763 ( -1.882 2.389 0.214) 3.048 2.870 ( -0.738 0.642 2.343) 2.539 2.902 ( -3.369 1.696 1.926) 4.235 2.925 ( -2.262 0.398 3.913) 4.537 2.998 ( -2.972 0.843 4.754) 5.669 3.031 ( 0.719 -4.678 1.012) 4.840 3.091 ( -4.157 -3.336 7.856) 9.493 3.172 ( -0.292 3.612 -4.541) 5.809 3.298 ( -0.744 3.225 -4.511) 5.595 3.378 ( 3.824 -2.006 -1.567) 4.593 3.540 ( 7.786 5.143 -3.052) 9.818 3.614 ( -4.894 -1.059 -0.394) 5.022 3.713 ( 5.393 -0.550 -5.010) 7.382 3.742 ( 4.426 -0.416 -4.048) 6.012 3.829 ( 1.341 -3.334 -1.862) 4.048 3.953 ( -1.040 -4.217 0.195) 4.348 4.042 ( -5.553 -0.499 1.737) 5.839 4.086 ( -5.089 -2.006 1.322) 5.627 4.222 ( 1.207 -1.868 1.743) 2.826 4.300 ( 1.559 -3.189 1.408) 3.819 4.319 ( -1.618 -2.434 1.320) 3.207 4.363 ( -0.479 1.073 0.837) 1.443 4.429 ( 0.843 -1.875 1.531) 2.563 4.516 ( 3.350 5.494 -0.242) 6.440 4.645 ( -1.743 8.754 -0.668) 8.951 4.700 ( 2.492 7.246 -2.016) 7.923 4.745 ( 2.657 -2.015 -0.841) 3.439 4.977 ( -2.728 1.282 0.847) 3.131 5.016 ( -5.744 0.960 0.147) 5.826 5.089 ( -1.005 -1.199 -0.644) 1.692 5.118 ( -1.515 -3.387 -1.481) 3.995 7.061 ( 2.413 -0.959 -1.332) 2.918 7.125 ( 0.833 -3.587 -3.428) 5.031 7.141 ( -0.075 -1.265 0.395) 1.328 7.236 ( -0.670 -3.315 1.386) 3.655 7.424 ( 2.664 5.127 -3.314) 6.661 7.570 ( -0.114 5.710 2.238) 6.134 7.651 ( 2.287 -4.564 0.890) 5.182 7.763 ( 0.489 -1.952 4.553) 4.978 10.215 ( 3.022 3.035 0.551) 4.318 10.385 ( -2.162 -1.366 -2.249) 3.406 10.459 ( -4.368 -2.917 1.517) 5.467 10.498 ( -3.258 -1.553 1.005) 3.746 10.860 ( 0.800 3.492 0.734) 3.657 10.990 ( -3.240 6.374 -0.803) 7.195 11.033 ( 5.571 -2.387 2.418) 6.526 11.259 ( -2.537 -3.931 0.368) 4.693 11.485 ( 5.806 1.325 -0.972) 6.034 11.545 ( 2.131 -0.752 -1.685) 2.819 11.722 ( -4.340 0.483 0.952) 4.470 11.755 ( -3.011 0.365 2.640) 4.021 12.954 ( -0.125 -2.340 -2.039) 3.106 13.001 ( 4.063 -0.422 -0.840) 4.171 13.019 ( -0.235 -1.992 -1.056) 2.267 13.088 ( 3.370 -0.731 -1.280) 3.678 13.121 ( -0.824 1.270 -0.141) 1.521 13.148 ( 1.164 -0.508 1.791) 2.195 13.262 ( -2.929 2.455 -0.496) 3.854 13.321 ( 0.322 0.365 4.317) 4.345 13.361 ( -1.090 1.065 -0.177) 1.534 13.398 ( -3.951 0.930 -0.285) 4.069 13.433 ( -4.663 1.950 -2.168) 5.500 13.511 ( 1.847 0.803 2.021) 2.853 13.535 ( -3.800 -0.677 2.034) 4.363 13.637 ( -3.835 0.222 2.291) 4.472 13.713 ( -2.960 -3.680 -2.954) 5.571 13.727 ( -0.051 -3.924 -1.438) 4.180 13.784 ( 0.944 0.206 -5.021) 5.113 13.907 ( 2.112 -0.762 -2.701) 3.512 14.031 ( -0.731 0.421 1.947) 2.121 14.162 ( -0.106 2.607 0.035) 2.610 15.003 ( -0.180 -2.408 -2.062) 3.175 15.118 ( 1.596 -2.940 -1.089) 3.518 15.150 ( 0.049 3.182 4.497) 5.509 15.245 ( 2.030 0.504 2.652) 3.377 15.489 ( 4.796 0.733 -3.247) 5.837 15.581 ( -2.318 1.175 -1.957) 3.253 15.744 ( -1.794 2.822 2.752) 4.331 15.866 ( -6.286 -0.262 1.375) 6.440 ======================= Grid point 58 (25/60) ======================= q-point: (-0.50 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( -0.000 1.698 -3.027) 3.471 0.923 ( 0.000 2.130 -2.100) 2.991 0.981 ( 0.000 0.627 -0.821) 1.033 1.003 ( -0.000 1.373 -0.942) 1.665 1.089 ( 0.000 -1.015 -4.426) 4.541 1.174 ( 0.000 0.667 -1.740) 1.863 1.189 ( 0.000 0.865 -0.222) 0.893 1.226 ( 0.000 -0.335 -0.676) 0.754 1.247 ( 0.000 0.016 -6.346) 6.346 1.288 ( -0.000 2.088 -0.946) 2.292 1.299 ( 0.000 -3.230 -1.513) 3.567 1.398 ( 0.000 -1.848 -5.169) 5.489 1.407 ( 0.000 1.371 0.428) 1.436 1.442 ( 0.000 -4.231 -4.523) 6.193 1.472 ( 0.000 1.850 -3.325) 3.805 1.535 ( 0.000 -4.390 0.857) 4.473 1.555 ( 0.000 0.225 -2.239) 2.250 1.599 ( 0.000 0.007 0.598) 0.599 1.627 ( 0.000 -1.943 -3.842) 4.305 1.648 ( 0.000 -1.658 -2.704) 3.172 1.663 ( -0.000 0.551 -4.128) 4.164 1.688 ( 0.000 2.516 -4.382) 5.053 1.704 ( -0.000 1.635 -1.631) 2.309 1.725 ( 0.000 -2.415 0.298) 2.434 1.770 ( 0.000 -0.033 -2.036) 2.036 1.792 ( 0.000 4.865 -1.765) 5.175 1.826 ( 0.000 -1.763 -1.465) 2.293 1.879 ( 0.000 1.293 1.736) 2.165 1.911 ( 0.000 0.625 -1.068) 1.237 1.959 ( 0.000 1.068 0.052) 1.069 1.969 ( -0.000 2.762 -1.914) 3.361 1.996 ( 0.000 1.795 -0.325) 1.824 2.029 ( 0.000 -2.207 -0.574) 2.280 2.094 ( -0.000 -3.467 -2.894) 4.516 2.099 ( 0.000 1.059 0.398) 1.132 2.111 ( 0.000 -1.330 3.915) 4.135 2.167 ( 0.000 1.010 -1.247) 1.605 2.210 ( 0.000 1.439 -1.707) 2.232 2.218 ( 0.000 -0.050 1.364) 1.364 2.307 ( -0.000 0.288 0.419) 0.508 2.328 ( 0.000 -1.097 -3.009) 3.203 2.345 ( 0.000 0.165 -1.528) 1.536 2.360 ( 0.000 1.997 3.391) 3.935 2.391 ( 0.000 -4.614 -3.751) 5.946 2.407 ( 0.000 -0.887 1.794) 2.001 2.493 ( -0.000 -2.624 0.561) 2.683 2.494 ( 0.000 -1.009 4.498) 4.610 2.548 ( 0.000 0.346 0.512) 0.618 2.585 ( 0.000 -0.020 5.461) 5.461 2.623 ( 0.000 -0.614 2.604) 2.675 2.627 ( 0.000 0.775 6.416) 6.463 2.653 ( 0.000 2.376 2.261) 3.280 2.703 ( 0.000 -0.138 3.310) 3.313 2.787 ( 0.000 1.685 6.105) 6.334 2.806 ( -0.000 3.562 8.573) 9.283 2.856 ( 0.000 3.581 6.077) 7.054 2.916 ( 0.000 0.564 1.968) 2.047 2.972 ( 0.000 -1.422 -1.621) 2.156 3.026 ( 0.000 -3.483 7.353) 8.136 3.055 ( 0.000 -3.482 2.066) 4.049 3.179 ( 0.000 4.372 -7.599) 8.767 3.269 ( 0.000 3.546 -3.655) 5.093 3.454 ( 0.000 -3.474 -2.967) 4.568 3.513 ( 0.000 -3.262 -1.001) 3.413 3.715 ( 0.000 0.955 -6.297) 6.369 3.790 ( 0.000 -3.627 -4.934) 6.124 3.809 ( -0.000 2.014 1.977) 2.822 3.837 ( 0.000 6.566 -1.181) 6.671 3.861 ( -0.000 1.046 2.156) 2.396 3.914 ( -0.000 -4.618 -2.283) 5.151 4.120 ( 0.000 -6.269 1.025) 6.353 4.183 ( -0.000 -4.226 4.723) 6.338 4.305 ( 0.000 0.264 -0.367) 0.452 4.336 ( 0.000 2.045 1.706) 2.663 4.343 ( -0.000 -3.687 -0.013) 3.688 4.442 ( 0.000 -2.796 2.721) 3.901 4.577 ( 0.000 7.763 -0.731) 7.797 4.604 ( 0.000 7.840 0.267) 7.844 4.745 ( 0.000 2.764 -1.882) 3.344 4.774 ( 0.000 1.713 -0.787) 1.885 4.940 ( 0.000 1.685 0.264) 1.705 4.944 ( -0.000 1.278 0.383) 1.334 5.090 ( 0.000 -3.389 -1.333) 3.642 5.093 ( 0.000 -3.193 -1.352) 3.467 7.093 ( 0.000 -1.942 -1.606) 2.520 7.133 ( 0.000 -0.042 0.159) 0.165 7.135 ( 0.000 -3.601 -3.161) 4.791 7.227 ( 0.000 -2.941 0.992) 3.104 7.451 ( 0.000 4.474 -2.961) 5.365 7.569 ( 0.000 6.683 2.916) 7.291 7.675 ( 0.000 -4.837 1.370) 5.028 7.765 ( 0.000 -1.542 4.932) 5.167 10.285 ( -0.000 1.863 -0.589) 1.954 10.311 ( 0.000 2.716 0.687) 2.801 10.440 ( 0.000 -4.508 -1.065) 4.632 10.452 ( -0.000 -3.471 0.269) 3.481 10.877 ( 0.000 5.106 -1.355) 5.282 10.940 ( 0.000 7.158 1.145) 7.249 11.133 ( 0.000 -5.265 0.075) 5.265 11.193 ( 0.000 -2.974 3.542) 4.625 11.559 ( 0.000 0.615 -3.305) 3.362 11.615 ( 0.000 3.260 -0.020) 3.260 11.631 ( 0.000 -2.624 0.249) 2.636 11.712 ( 0.000 -0.065 4.666) 4.666 12.950 ( 0.000 -3.017 -3.131) 4.348 13.026 ( 0.000 -4.937 -2.965) 5.759 13.036 ( 0.000 0.275 0.234) 0.361 13.089 ( 0.000 -1.257 0.457) 1.337 13.129 ( 0.000 2.964 -3.130) 4.310 13.230 ( 0.000 5.611 1.085) 5.715 13.231 ( 0.000 -1.109 -2.988) 3.187 13.306 ( -0.000 0.646 0.186) 0.672 13.328 ( 0.000 0.970 0.675) 1.182 13.341 ( 0.000 3.252 1.354) 3.523 13.408 ( 0.000 -1.452 3.427) 3.722 13.444 ( -0.000 0.129 5.524) 5.526 13.579 ( 0.000 0.237 1.935) 1.949 13.588 ( -0.000 0.982 1.126) 1.494 13.672 ( 0.000 -3.086 -3.246) 4.479 13.720 ( 0.000 -1.919 -1.484) 2.426 13.805 ( 0.000 -3.641 -6.520) 7.468 13.940 ( 0.000 -3.656 -5.423) 6.541 14.015 ( 0.000 3.932 4.117) 5.693 14.161 ( 0.000 4.324 2.259) 4.878 15.001 ( 0.000 -2.644 -2.062) 3.353 15.132 ( 0.000 -3.283 -0.950) 3.417 15.150 ( 0.000 3.985 4.160) 5.761 15.270 ( 0.000 0.609 4.079) 4.124 15.551 ( 0.000 -4.039 -4.551) 6.085 15.559 ( 0.000 -3.086 -7.148) 7.786 15.725 ( 0.000 5.420 4.459) 7.019 15.789 ( 0.000 3.427 4.295) 5.494 ======================= Grid point 63 (26/60) ======================= q-point: ( 0.00 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.568 ( 0.000 -8.681 7.390) 11.401 0.568 ( 0.000 8.681 7.390) 11.401 0.655 ( 0.000 -12.971 5.052) 13.920 0.655 ( 0.000 12.971 5.052) 13.920 0.977 ( 0.000 -0.411 -7.974) 7.984 0.977 ( 0.000 0.411 -7.974) 7.984 1.192 ( 0.000 -2.792 -3.866) 4.769 1.192 ( 0.000 2.792 -3.866) 4.769 1.232 ( 0.000 -6.641 2.653) 7.151 1.232 ( 0.000 6.641 2.653) 7.151 1.318 ( 0.000 -0.628 0.013) 0.628 1.318 ( 0.000 0.628 0.013) 0.628 1.395 ( 0.000 -4.167 2.915) 5.086 1.395 ( 0.000 4.167 2.915) 5.086 1.439 ( 0.000 -7.168 2.863) 7.718 1.439 ( 0.000 7.168 2.863) 7.718 1.540 ( 0.000 -0.344 -2.075) 2.103 1.540 ( 0.000 0.344 -2.075) 2.103 1.637 ( 0.000 -0.257 1.709) 1.728 1.637 ( 0.000 0.257 1.709) 1.728 1.740 ( 0.000 -1.524 -3.964) 4.247 1.740 ( 0.000 1.524 -3.964) 4.247 1.777 ( 0.000 -1.318 -1.025) 1.670 1.777 ( 0.000 1.318 -1.025) 1.670 1.825 ( 0.000 -2.383 2.474) 3.435 1.825 ( 0.000 2.383 2.474) 3.435 1.875 ( 0.000 -1.479 -1.408) 2.042 1.875 ( 0.000 1.479 -1.408) 2.042 1.913 ( 0.000 -0.824 1.011) 1.305 1.913 ( 0.000 0.824 1.011) 1.305 2.000 ( 0.000 -0.442 0.236) 0.501 2.000 ( 0.000 0.442 0.236) 0.501 2.015 ( 0.000 -5.258 3.203) 6.157 2.015 ( 0.000 5.258 3.203) 6.157 2.054 ( 0.000 -0.514 -0.294) 0.592 2.054 ( 0.000 0.514 -0.294) 0.592 2.104 ( 0.000 -0.426 -0.162) 0.456 2.104 ( 0.000 0.426 -0.162) 0.456 2.225 ( 0.000 -2.595 -1.696) 3.100 2.225 ( 0.000 2.595 -1.696) 3.100 2.369 ( 0.000 -1.033 -3.592) 3.738 2.369 ( 0.000 1.033 -3.592) 3.738 2.464 ( 0.000 -2.947 1.339) 3.236 2.464 ( 0.000 2.947 1.339) 3.236 2.494 ( 0.000 -0.112 -2.589) 2.591 2.494 ( 0.000 0.112 -2.589) 2.591 2.546 ( 0.000 -0.365 -1.609) 1.650 2.546 ( 0.000 0.365 -1.609) 1.650 2.595 ( 0.000 -5.023 2.589) 5.651 2.595 ( 0.000 5.023 2.589) 5.651 2.723 ( 0.000 -0.361 3.852) 3.869 2.723 ( 0.000 0.361 3.852) 3.869 2.840 ( 0.000 -1.160 0.303) 1.199 2.840 ( 0.000 1.160 0.303) 1.199 2.906 ( 0.000 -0.942 0.426) 1.034 2.906 ( 0.000 0.942 0.426) 1.034 3.038 ( 0.000 -3.451 2.682) 4.370 3.038 ( 0.000 3.451 2.682) 4.370 3.176 ( 0.000 -2.452 -6.434) 6.885 3.176 ( 0.000 2.452 -6.434) 6.885 3.263 ( 0.000 -2.081 -1.174) 2.390 3.263 ( 0.000 2.081 -1.174) 2.390 3.453 ( 0.000 -2.271 -3.462) 4.140 3.453 ( 0.000 2.271 -3.462) 4.140 3.567 ( 0.000 -3.863 10.266) 10.969 3.567 ( 0.000 3.863 10.266) 10.969 3.866 ( 0.000 -0.097 -2.125) 2.128 3.866 ( 0.000 0.097 -2.125) 2.128 3.982 ( 0.000 -1.737 1.660) 2.403 3.982 ( 0.000 1.737 1.660) 2.403 4.060 ( 0.000 -0.189 -4.781) 4.785 4.060 ( 0.000 0.189 -4.781) 4.785 4.234 ( 0.000 -4.185 4.035) 5.813 4.234 ( 0.000 4.185 4.035) 5.813 4.419 ( 0.000 -2.244 -1.200) 2.545 4.419 ( 0.000 2.244 -1.200) 2.545 4.545 ( 0.000 -0.592 -1.681) 1.782 4.545 ( 0.000 0.592 -1.681) 1.782 4.770 ( 0.000 -6.408 0.313) 6.416 4.770 ( 0.000 6.408 0.313) 6.416 5.188 ( 0.000 -4.619 -5.571) 7.237 5.188 ( 0.000 4.619 -5.571) 7.237 5.229 ( 0.000 -3.128 1.847) 3.632 5.229 ( 0.000 3.128 1.847) 3.632 6.964 ( 0.000 -2.039 -2.843) 3.498 6.964 ( 0.000 2.039 -2.843) 3.498 7.069 ( 0.000 -1.782 3.091) 3.568 7.069 ( 0.000 1.782 3.091) 3.568 7.379 ( 0.000 -5.341 -3.318) 6.288 7.379 ( 0.000 5.341 -3.318) 6.288 7.613 ( 0.000 -0.042 4.918) 4.919 7.613 ( 0.000 0.042 4.918) 4.919 10.296 ( 0.000 -6.919 -1.237) 7.029 10.296 ( 0.000 6.919 -1.237) 7.029 10.697 ( 0.000 -1.841 5.441) 5.745 10.697 ( 0.000 1.841 5.441) 5.745 10.802 ( 0.000 -1.239 3.211) 3.442 10.802 ( 0.000 1.239 3.211) 3.442 11.218 ( 0.000 -2.094 -0.274) 2.112 11.218 ( 0.000 2.094 -0.274) 2.112 11.462 ( 0.000 -6.417 -7.013) 9.506 11.462 ( 0.000 6.417 -7.013) 9.506 11.842 ( 0.000 -2.936 4.300) 5.206 11.842 ( 0.000 2.936 4.300) 5.206 12.877 ( 0.000 -3.350 5.466) 6.411 12.877 ( 0.000 3.350 5.466) 6.411 12.966 ( 0.000 -5.241 1.822) 5.548 12.966 ( 0.000 5.241 1.822) 5.548 13.163 ( 0.000 -6.797 -1.318) 6.923 13.163 ( 0.000 6.797 -1.318) 6.923 13.326 ( 0.000 -0.540 -2.676) 2.730 13.326 ( 0.000 0.540 -2.676) 2.730 13.512 ( 0.000 -0.844 -3.127) 3.239 13.512 ( 0.000 0.844 -3.127) 3.239 13.543 ( 0.000 -3.115 1.157) 3.323 13.543 ( 0.000 3.115 1.157) 3.323 13.606 ( 0.000 -3.243 -1.483) 3.567 13.606 ( 0.000 3.243 -1.483) 3.567 13.820 ( 0.000 -0.183 3.083) 3.088 13.820 ( 0.000 0.183 3.083) 3.088 13.847 ( 0.000 -10.139 1.814) 10.300 13.847 ( 0.000 10.139 1.814) 10.300 14.178 ( 0.000 -4.019 -4.517) 6.046 14.178 ( 0.000 4.019 -4.517) 6.046 15.015 ( 0.000 -0.651 -1.936) 2.042 15.015 ( 0.000 0.651 -1.936) 2.042 15.139 ( 0.000 -0.063 3.429) 3.430 15.139 ( 0.000 0.063 3.429) 3.430 15.638 ( 0.000 -11.824 -2.096) 12.008 15.638 ( 0.000 11.824 -2.096) 12.008 16.071 ( 0.000 -4.170 -4.339) 6.018 16.071 ( 0.000 4.170 -4.339) 6.018 ======================= Grid point 65 (27/60) ======================= q-point: ( 0.12 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.626 ( 4.974 -8.762 4.043) 10.857 0.626 ( 4.974 8.762 4.043) 10.857 0.712 ( 5.450 -10.540 4.459) 12.676 0.712 ( 5.450 10.540 4.459) 12.676 1.007 ( 2.896 -1.497 -7.582) 8.253 1.007 ( 2.896 1.497 -7.582) 8.253 1.180 ( -0.726 -2.178 -0.686) 2.397 1.180 ( -0.726 2.178 -0.686) 2.397 1.235 ( 0.784 -3.629 -0.118) 3.714 1.235 ( 0.784 3.629 -0.118) 3.714 1.323 ( 0.561 -2.311 -2.683) 3.585 1.323 ( 0.561 2.311 -2.683) 3.585 1.418 ( -0.150 -3.064 2.112) 3.724 1.418 ( -0.150 3.064 2.112) 3.724 1.455 ( 2.087 -3.641 3.082) 5.207 1.455 ( 2.087 3.641 3.082) 5.207 1.544 ( 1.050 -1.985 -0.751) 2.368 1.544 ( 1.050 1.985 -0.751) 2.368 1.641 ( 0.152 -0.741 1.437) 1.624 1.641 ( 0.152 0.741 1.437) 1.624 1.748 ( 0.232 -2.650 -3.894) 4.716 1.748 ( 0.232 2.650 -3.894) 4.716 1.771 ( -0.275 -0.977 -1.706) 1.985 1.771 ( -0.275 0.977 -1.706) 1.985 1.820 ( -0.313 -4.627 1.715) 4.944 1.820 ( -0.313 4.627 1.715) 4.944 1.870 ( -0.096 -2.365 -0.858) 2.517 1.870 ( -0.096 2.365 -0.858) 2.517 1.926 ( 1.079 -1.365 0.369) 1.779 1.926 ( 1.079 1.365 0.369) 1.779 1.982 ( -0.817 -2.824 1.150) 3.157 1.982 ( -0.817 2.824 1.150) 3.157 2.022 ( 0.115 -2.046 0.866) 2.224 2.022 ( 0.115 2.046 0.866) 2.224 2.064 ( 0.517 -1.694 2.287) 2.893 2.064 ( 0.517 1.694 2.287) 2.893 2.114 ( 0.969 -0.634 -1.164) 1.642 2.114 ( 0.969 0.634 -1.164) 1.642 2.215 ( -0.888 -2.531 -1.105) 2.901 2.215 ( -0.888 2.531 -1.105) 2.901 2.362 ( -0.587 -1.016 -3.445) 3.640 2.362 ( -0.587 1.016 -3.445) 3.640 2.455 ( -1.174 -3.023 1.401) 3.532 2.455 ( -1.174 3.023 1.401) 3.532 2.493 ( -0.053 -0.481 -2.579) 2.624 2.493 ( -0.053 0.481 -2.579) 2.624 2.542 ( -0.825 -0.958 -0.141) 1.272 2.542 ( -0.825 0.958 -0.141) 1.272 2.598 ( 0.744 -3.989 2.296) 4.662 2.598 ( 0.744 3.989 2.296) 4.662 2.727 ( 0.512 -3.320 4.370) 5.512 2.727 ( 0.512 3.320 4.370) 5.512 2.796 ( -3.677 -1.553 0.465) 4.018 2.796 ( -3.677 1.553 0.465) 4.018 2.897 ( -0.882 -0.610 -0.365) 1.133 2.897 ( -0.882 0.610 -0.365) 1.133 3.039 ( -0.782 -2.488 0.571) 2.670 3.039 ( -0.782 2.488 0.571) 2.670 3.160 ( -1.332 -1.896 -0.988) 2.519 3.160 ( -1.332 1.896 -0.988) 2.519 3.262 ( -0.570 -3.144 -1.265) 3.436 3.262 ( -0.570 3.144 -1.265) 3.436 3.449 ( 0.054 -1.132 -1.858) 2.177 3.449 ( 0.054 1.132 -1.858) 2.177 3.561 ( 0.469 -4.919 4.921) 6.974 3.561 ( 0.469 4.919 4.921) 6.974 3.823 ( -4.113 -0.744 -2.388) 4.813 3.823 ( -4.113 0.744 -2.388) 4.813 4.001 ( 0.912 -3.263 0.457) 3.418 4.001 ( 0.912 3.263 0.457) 3.418 4.082 ( 2.515 -1.891 -2.005) 3.731 4.082 ( 2.515 1.891 -2.005) 3.731 4.258 ( 1.941 -3.670 2.659) 4.930 4.258 ( 1.941 3.670 2.659) 4.930 4.426 ( 0.454 -4.432 1.061) 4.580 4.426 ( 0.454 4.432 1.061) 4.580 4.534 ( -0.565 -1.559 -2.633) 3.112 4.534 ( -0.565 1.559 -2.633) 3.112 4.775 ( 0.295 -5.077 -0.520) 5.112 4.775 ( 0.295 5.077 -0.520) 5.112 5.148 ( -3.230 -1.890 -3.607) 5.197 5.148 ( -3.230 1.890 -3.607) 5.197 5.207 ( -2.391 -2.793 1.314) 3.904 5.207 ( -2.391 2.793 1.314) 3.904 6.990 ( 2.020 -2.540 -3.008) 4.425 6.990 ( 2.020 2.540 -3.008) 4.425 7.101 ( 2.721 -1.707 2.811) 4.268 7.101 ( 2.721 1.707 2.811) 4.268 7.410 ( 3.015 -5.874 -3.667) 7.553 7.410 ( 3.015 5.874 -3.667) 7.553 7.631 ( 1.605 -2.850 4.527) 5.585 7.631 ( 1.605 2.850 4.527) 5.585 10.290 ( -0.477 -6.728 -0.971) 6.814 10.290 ( -0.477 6.728 -0.971) 6.814 10.658 ( -3.568 -1.473 4.358) 5.821 10.658 ( -3.568 1.473 4.358) 5.821 10.826 ( 2.022 -1.026 3.627) 4.277 10.826 ( 2.022 1.026 3.627) 4.277 11.218 ( -0.222 -2.581 -0.526) 2.643 11.218 ( -0.222 2.581 -0.526) 2.643 11.451 ( -0.687 -6.020 -6.424) 8.831 11.451 ( -0.687 6.020 -6.424) 8.831 11.834 ( -0.834 -2.266 4.171) 4.820 11.834 ( -0.834 2.266 4.171) 4.820 12.884 ( 1.397 -2.766 3.648) 4.786 12.884 ( 1.397 2.766 3.648) 4.786 13.011 ( 2.536 -3.283 1.027) 4.274 13.011 ( 2.536 3.283 1.027) 4.274 13.140 ( -1.437 -4.044 -0.151) 4.294 13.140 ( -1.437 4.044 -0.151) 4.294 13.328 ( 0.031 -1.994 -2.151) 2.933 13.328 ( 0.031 1.994 -2.151) 2.933 13.475 ( -2.449 -1.400 -2.248) 3.607 13.475 ( -2.449 1.400 -2.248) 3.607 13.546 ( -1.002 -0.654 0.113) 1.202 13.546 ( -1.002 0.654 0.113) 1.202 13.623 ( 1.391 -1.212 -0.835) 2.025 13.623 ( 1.391 1.212 -0.835) 2.025 13.798 ( -2.177 -3.717 0.226) 4.313 13.798 ( -2.177 3.717 0.226) 4.313 13.838 ( -0.607 -5.680 3.577) 6.740 13.838 ( -0.607 5.680 3.577) 6.740 14.143 ( -2.854 -0.986 -3.045) 4.288 14.143 ( -2.854 0.986 -3.045) 4.288 15.017 ( 0.215 -0.475 -2.503) 2.556 15.017 ( 0.215 0.475 -2.503) 2.556 15.151 ( 1.148 -1.335 3.437) 3.861 15.151 ( 1.148 1.335 3.437) 3.861 15.625 ( -1.287 -11.199 -2.764) 11.606 15.625 ( -1.287 11.199 -2.764) 11.606 16.005 ( -5.630 -6.472 -1.685) 8.742 16.005 ( -5.630 6.472 -1.685) 8.742 ======================= Grid point 67 (28/60) ======================= q-point: ( 0.25 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( 6.544 -6.939 -0.117) 9.539 0.740 ( 6.544 6.939 -0.117) 9.539 0.832 ( 6.192 -8.090 2.021) 10.386 0.832 ( 6.192 8.090 2.021) 10.386 1.077 ( 3.927 -2.252 -6.785) 8.157 1.077 ( 3.927 2.252 -6.785) 8.157 1.180 ( 0.294 -3.132 -0.157) 3.149 1.180 ( 0.294 3.132 -0.157) 3.149 1.255 ( 1.109 -1.454 -1.657) 2.468 1.255 ( 1.109 1.454 -1.657) 2.468 1.345 ( 1.693 -1.102 -0.457) 2.071 1.345 ( 1.693 1.102 -0.457) 2.071 1.404 ( -0.475 -3.176 0.009) 3.211 1.404 ( -0.475 3.176 0.009) 3.211 1.460 ( -1.247 -2.646 -1.555) 3.313 1.460 ( -1.247 2.646 -1.555) 3.313 1.583 ( 1.596 -1.520 0.366) 2.234 1.583 ( 1.596 1.520 0.366) 2.234 1.639 ( -0.609 -1.332 0.518) 1.554 1.639 ( -0.609 1.332 0.518) 1.554 1.730 ( -1.105 -1.499 -3.027) 3.554 1.730 ( -1.105 1.499 -3.027) 3.554 1.777 ( -0.048 -2.086 -0.498) 2.146 1.777 ( -0.048 2.086 -0.498) 2.146 1.814 ( -0.394 -3.473 -1.256) 3.714 1.814 ( -0.394 3.473 -1.256) 3.714 1.873 ( 0.057 -0.962 -1.545) 1.821 1.873 ( 0.057 0.962 -1.545) 1.821 1.930 ( -0.949 -1.170 -1.960) 2.472 1.930 ( -0.949 1.170 -1.960) 2.472 1.989 ( 0.627 -2.424 -0.049) 2.505 1.989 ( 0.627 2.424 -0.049) 2.505 2.034 ( 2.434 -1.951 0.777) 3.215 2.034 ( 2.434 1.951 0.777) 3.215 2.083 ( 1.528 -2.801 3.547) 4.771 2.083 ( 1.528 2.801 3.547) 4.771 2.124 ( 0.048 -1.254 -0.045) 1.256 2.124 ( 0.048 1.254 -0.045) 1.256 2.203 ( 0.019 -1.400 0.349) 1.443 2.203 ( 0.019 1.400 0.349) 1.443 2.351 ( -0.554 -0.941 -2.579) 2.801 2.351 ( -0.554 0.941 -2.579) 2.801 2.415 ( -2.674 -3.168 1.287) 4.341 2.415 ( -2.674 3.168 1.287) 4.341 2.488 ( -0.941 -1.125 -0.907) 1.725 2.488 ( -0.941 1.125 -0.907) 1.725 2.521 ( -0.711 -2.306 1.009) 2.615 2.521 ( -0.711 2.306 1.009) 2.615 2.618 ( 0.922 -2.618 2.117) 3.491 2.618 ( 0.922 2.618 2.117) 3.491 2.701 ( -3.602 -1.467 3.464) 5.208 2.701 ( -3.602 1.467 3.464) 5.208 2.772 ( 1.623 -6.720 2.633) 7.398 2.772 ( 1.623 6.720 2.633) 7.398 2.871 ( -1.575 -1.403 -0.453) 2.157 2.871 ( -1.575 1.403 -0.453) 2.157 2.998 ( -2.722 -1.954 -1.588) 3.708 2.998 ( -2.722 1.954 -1.588) 3.708 3.115 ( -3.726 -1.768 7.081) 8.195 3.115 ( -3.726 1.768 7.081) 8.195 3.250 ( 0.019 -2.324 -1.594) 2.818 3.250 ( 0.019 2.324 -1.594) 2.818 3.472 ( 2.227 -4.484 -1.647) 5.270 3.472 ( 2.227 4.484 -1.647) 5.270 3.605 ( 3.203 -4.052 -3.400) 6.183 3.605 ( 3.203 4.052 -3.400) 6.183 3.735 ( -3.480 -1.846 -0.366) 3.956 3.735 ( -3.480 1.846 -0.366) 3.956 3.995 ( -1.337 -3.915 -1.179) 4.302 3.995 ( -1.337 3.915 -1.179) 4.302 4.148 ( 3.306 -1.736 0.330) 3.748 4.148 ( 3.306 1.736 0.330) 3.748 4.279 ( -0.412 -2.407 2.565) 3.541 4.279 ( -0.412 2.407 2.565) 3.541 4.417 ( -1.244 -2.968 1.595) 3.591 4.417 ( -1.244 2.968 1.595) 3.591 4.559 ( 3.551 -5.465 -1.896) 6.788 4.559 ( 3.551 5.465 -1.896) 6.788 4.777 ( -0.137 -2.602 -1.858) 3.200 4.777 ( -0.137 2.602 -1.858) 3.200 5.085 ( -3.096 -1.726 -1.283) 3.770 5.085 ( -3.096 1.726 -1.283) 3.770 5.139 ( -4.363 -1.088 0.626) 4.540 5.139 ( -4.363 1.088 0.626) 4.540 7.030 ( 1.965 -2.376 -2.470) 3.951 7.030 ( 1.965 2.376 -2.470) 3.951 7.146 ( 1.517 -3.031 1.961) 3.916 7.146 ( 1.517 3.031 1.961) 3.916 7.481 ( 3.800 -6.016 -3.410) 7.890 7.481 ( 3.800 6.016 -3.410) 7.890 7.665 ( 1.638 -4.552 4.060) 6.316 7.665 ( 1.638 4.552 4.060) 6.316 10.284 ( 0.017 -6.185 -0.646) 6.218 10.284 ( 0.017 6.185 -0.646) 6.218 10.570 ( -5.280 -0.181 2.406) 5.805 10.570 ( -5.280 0.181 2.406) 5.805 10.876 ( 3.161 -1.424 3.614) 5.008 10.876 ( 3.161 1.424 3.614) 5.008 11.199 ( -1.902 -4.911 -1.135) 5.387 11.199 ( -1.902 4.911 -1.135) 5.387 11.457 ( 1.723 -4.033 -3.995) 5.933 11.457 ( 1.723 4.033 -3.995) 5.933 11.806 ( -2.220 -0.885 3.106) 3.919 11.806 ( -2.220 0.885 3.106) 3.919 12.930 ( 2.599 -1.262 0.931) 3.035 12.930 ( 2.599 1.262 0.931) 3.035 13.022 ( -0.161 -0.704 -1.617) 1.771 13.022 ( -0.161 0.704 -1.617) 1.771 13.129 ( -0.145 -0.269 2.172) 2.194 13.129 ( -0.145 0.269 2.172) 2.194 13.323 ( -0.781 -1.992 -0.166) 2.146 13.323 ( -0.781 1.992 -0.166) 2.146 13.433 ( -1.975 -0.871 -2.153) 3.049 13.433 ( -1.975 0.871 -2.153) 3.049 13.519 ( -1.044 -2.772 1.005) 3.128 13.519 ( -1.044 2.772 1.005) 3.128 13.626 ( -1.631 -4.001 -1.815) 4.687 13.626 ( -1.631 4.001 -1.815) 4.687 13.736 ( -3.804 -3.216 1.160) 5.114 13.736 ( -3.804 3.216 1.160) 5.114 13.836 ( 0.316 -3.105 -1.018) 3.283 13.836 ( 0.316 3.105 -1.018) 3.283 14.105 ( -0.482 -4.453 1.975) 4.895 14.105 ( -0.482 4.453 1.975) 4.895 15.024 ( 0.431 -2.525 -3.851) 4.625 15.024 ( 0.431 2.525 -3.851) 4.625 15.180 ( 1.794 -2.103 3.497) 4.458 15.180 ( 1.794 2.103 3.497) 4.458 15.589 ( -2.302 -8.441 -4.560) 9.866 15.589 ( -2.302 8.441 -4.560) 9.866 15.897 ( -4.817 -6.880 2.543) 8.775 15.897 ( -4.817 6.880 2.543) 8.775 ======================= Grid point 69 (29/60) ======================= q-point: ( 0.38 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.872 ( 6.576 -4.507 -2.771) 8.439 0.872 ( 6.576 4.507 -2.771) 8.439 0.938 ( 4.240 -4.376 -0.197) 6.096 0.938 ( 4.240 4.376 -0.197) 6.096 1.150 ( 3.163 -2.200 -5.180) 6.456 1.150 ( 3.163 2.200 -5.180) 6.456 1.171 ( -0.900 -1.080 -0.799) 1.617 1.171 ( -0.900 1.080 -0.799) 1.617 1.270 ( 0.006 -1.952 -1.339) 2.367 1.270 ( 0.006 1.952 -1.339) 2.367 1.362 ( 0.070 -0.991 -0.465) 1.097 1.362 ( 0.070 0.991 -0.465) 1.097 1.411 ( -0.943 -1.837 -2.246) 3.051 1.411 ( -0.943 1.837 -2.246) 3.051 1.452 ( 2.477 -2.813 -1.636) 4.089 1.452 ( 2.477 2.813 -1.636) 4.089 1.583 ( -1.130 -3.895 -2.629) 4.833 1.583 ( -1.130 3.895 -2.629) 4.833 1.621 ( -0.550 -1.585 0.342) 1.713 1.621 ( -0.550 1.585 0.342) 1.713 1.708 ( -1.537 -0.941 -1.102) 2.112 1.708 ( -1.537 0.941 -1.102) 2.112 1.748 ( -2.862 -0.199 -3.663) 4.653 1.748 ( -2.862 0.199 -3.663) 4.653 1.805 ( -0.570 -2.212 -1.236) 2.597 1.805 ( -0.570 2.212 -1.236) 2.597 1.874 ( 0.378 -1.840 -1.413) 2.351 1.874 ( 0.378 1.840 -1.413) 2.351 1.924 ( 1.002 -2.893 -2.536) 3.976 1.924 ( 1.002 2.893 -2.536) 3.976 1.995 ( 0.152 -2.666 -1.174) 2.917 1.995 ( 0.152 2.666 -1.174) 2.917 2.046 ( -1.679 -1.592 -1.904) 2.997 2.046 ( -1.679 1.592 -1.904) 2.997 2.117 ( 0.936 -0.695 1.589) 1.971 2.117 ( 0.936 0.695 1.589) 1.971 2.161 ( 3.355 -1.647 2.315) 4.396 2.161 ( 3.355 1.647 2.315) 4.396 2.227 ( 2.701 -1.983 1.634) 3.728 2.227 ( 2.701 1.983 1.634) 3.728 2.333 ( -1.184 -1.890 -1.955) 2.965 2.333 ( -1.184 1.890 -1.955) 2.965 2.372 ( -1.530 -2.098 1.623) 3.061 2.372 ( -1.530 2.098 1.623) 3.061 2.455 ( -1.896 -1.503 1.308) 2.750 2.455 ( -1.896 1.503 1.308) 2.750 2.520 ( 0.270 -1.605 1.905) 2.506 2.520 ( 0.270 1.605 1.905) 2.506 2.614 ( -1.349 -1.464 1.625) 2.570 2.614 ( -1.349 1.464 1.625) 2.570 2.657 ( -0.561 -1.394 5.993) 6.178 2.657 ( -0.561 1.394 5.993) 6.178 2.780 ( -0.819 -4.765 1.091) 4.956 2.780 ( -0.819 4.765 1.091) 4.956 2.863 ( 0.686 -1.319 1.972) 2.470 2.863 ( 0.686 1.319 1.972) 2.470 2.959 ( -1.036 -2.268 1.668) 3.000 2.959 ( -1.036 2.268 1.668) 3.000 3.025 ( -4.758 -2.812 8.027) 9.745 3.025 ( -4.758 2.812 8.027) 9.745 3.278 ( 2.944 -5.036 -3.200) 6.653 3.278 ( 2.944 5.036 -3.200) 6.653 3.464 ( -4.258 -8.727 -5.786) 11.304 3.464 ( -4.258 8.727 -5.786) 11.304 3.672 ( 4.757 -3.823 -3.438) 7.004 3.672 ( 4.757 3.823 -3.438) 7.004 3.758 ( 4.916 -1.748 0.267) 5.225 3.758 ( 4.916 1.748 0.267) 5.225 3.962 ( -1.569 -4.205 -0.711) 4.545 3.962 ( -1.569 4.205 -0.711) 4.545 4.141 ( -5.192 -5.060 1.786) 7.466 4.141 ( -5.192 5.060 1.786) 7.466 4.279 ( 1.920 -1.141 2.522) 3.369 4.279 ( 1.920 1.141 2.522) 3.369 4.397 ( -0.896 -1.623 0.533) 1.929 4.397 ( -0.896 1.623 0.533) 1.929 4.650 ( 5.033 -6.411 -0.549) 8.169 4.650 ( 5.033 6.411 -0.549) 8.169 4.769 ( -0.757 -1.603 -2.050) 2.710 4.769 ( -0.757 1.603 -2.050) 2.710 5.029 ( -2.473 -3.671 -0.315) 4.438 5.029 ( -2.473 3.671 -0.315) 4.438 5.054 ( -3.835 -1.716 -0.325) 4.214 5.054 ( -3.835 1.716 -0.325) 4.214 7.065 ( 1.570 -1.715 -2.222) 3.216 7.065 ( 1.570 1.715 -2.222) 3.216 7.160 ( 0.060 -2.945 1.212) 3.185 7.160 ( 0.060 2.945 1.212) 3.185 7.543 ( 2.289 -5.846 -2.193) 6.650 7.543 ( 2.289 5.846 -2.193) 6.650 7.688 ( 0.699 -5.159 4.158) 6.663 7.688 ( 0.699 5.159 4.158) 6.663 10.300 ( 1.851 -5.099 -0.709) 5.470 10.300 ( 1.851 5.099 -0.709) 5.470 10.462 ( -5.547 -1.694 0.730) 5.846 10.462 ( -5.547 1.694 0.730) 5.846 10.947 ( 4.008 -4.641 2.131) 6.492 10.947 ( 4.008 4.641 2.131) 6.492 11.144 ( -3.566 -7.049 0.103) 7.900 11.144 ( -3.566 7.049 0.103) 7.900 11.519 ( 4.248 -1.698 -1.823) 4.925 11.519 ( 4.248 1.698 -1.823) 4.925 11.744 ( -3.985 -1.237 2.129) 4.684 11.744 ( -3.985 1.237 2.129) 4.684 12.948 ( -0.325 -1.794 -3.250) 3.726 12.948 ( -0.325 1.794 -3.250) 3.726 13.046 ( 1.442 -2.335 0.469) 2.784 13.046 ( 1.442 2.335 0.469) 2.784 13.146 ( 2.657 -0.572 -0.327) 2.738 13.146 ( 2.657 0.572 -0.327) 2.738 13.300 ( -0.923 -1.544 1.555) 2.378 13.300 ( -0.923 1.544 1.555) 2.378 13.388 ( -2.408 -1.298 -0.848) 2.864 13.388 ( -2.408 1.298 -0.848) 2.864 13.492 ( -3.719 -2.386 2.411) 5.034 13.492 ( -3.719 2.386 2.411) 5.034 13.585 ( -0.287 -5.310 -1.931) 5.657 13.585 ( -0.287 5.310 -1.931) 5.657 13.672 ( -2.714 -1.963 0.675) 3.417 13.672 ( -2.714 1.963 0.675) 3.417 13.844 ( 0.413 -4.263 -4.623) 6.302 13.844 ( 0.413 4.263 -4.623) 6.302 14.117 ( 1.177 -5.710 6.603) 8.809 14.117 ( 1.177 5.710 6.603) 8.809 15.032 ( 0.390 -4.410 -5.175) 6.810 15.032 ( 0.390 4.410 -5.175) 6.810 15.215 ( 1.624 -2.775 3.751) 4.941 15.215 ( 1.624 2.775 3.751) 4.941 15.543 ( -2.155 -3.619 -6.576) 7.810 15.543 ( -2.155 3.619 -6.576) 7.810 15.828 ( -2.302 -3.678 5.349) 6.888 15.828 ( -2.302 3.678 5.349) 6.888 ======================= Grid point 71 (30/60) ======================= q-point: (-0.50 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.963 ( -0.000 -3.427 -3.753) 5.082 0.963 ( 0.000 3.427 -3.753) 5.082 0.968 ( 0.000 -1.837 -1.478) 2.358 0.968 ( 0.000 1.837 -1.478) 2.358 1.152 ( 0.000 -5.191 -1.038) 5.293 1.152 ( 0.000 5.191 -1.038) 5.293 1.192 ( 0.000 -0.680 -0.360) 0.770 1.192 ( 0.000 0.680 -0.360) 0.770 1.264 ( 0.000 -1.146 -5.961) 6.070 1.264 ( 0.000 1.146 -5.961) 6.070 1.367 ( 0.000 -5.140 0.186) 5.143 1.367 ( 0.000 5.140 0.186) 5.143 1.387 ( 0.000 -1.228 -4.017) 4.201 1.387 ( 0.000 1.228 -4.017) 4.201 1.490 ( 0.000 -0.479 -0.895) 1.015 1.490 ( 0.000 0.479 -0.895) 1.015 1.582 ( -0.000 -2.059 -3.181) 3.789 1.582 ( 0.000 2.059 -3.181) 3.789 1.607 ( 0.000 -1.672 1.297) 2.116 1.607 ( 0.000 1.672 1.297) 2.116 1.683 ( 0.000 -1.513 -2.049) 2.548 1.683 ( 0.000 1.513 -2.049) 2.548 1.711 ( 0.000 -0.623 -4.690) 4.731 1.711 ( 0.000 0.623 -4.690) 4.731 1.797 ( 0.000 -1.306 -1.642) 2.098 1.797 ( 0.000 1.306 -1.642) 2.098 1.879 ( 0.000 -2.497 -0.249) 2.509 1.879 ( 0.000 2.497 -0.249) 2.509 1.950 ( 0.000 -3.195 -2.868) 4.294 1.950 ( 0.000 3.195 -2.868) 4.294 1.980 ( 0.000 -1.840 -0.423) 1.888 1.980 ( 0.000 1.840 -0.423) 1.888 2.042 ( 0.000 -2.388 -3.395) 4.151 2.042 ( 0.000 2.388 -3.395) 4.151 2.105 ( 0.000 -0.886 2.871) 3.005 2.105 ( 0.000 0.886 2.871) 3.005 2.203 ( 0.000 -1.857 -0.194) 1.867 2.203 ( 0.000 1.857 -0.194) 1.867 2.275 ( 0.000 -4.859 -2.489) 5.460 2.275 ( 0.000 4.859 -2.489) 5.460 2.326 ( -0.000 -1.391 0.540) 1.492 2.326 ( 0.000 1.391 0.540) 1.492 2.340 ( 0.000 -3.140 2.946) 4.305 2.340 ( 0.000 3.140 2.946) 4.305 2.436 ( 0.000 -3.154 2.122) 3.802 2.436 ( 0.000 3.154 2.122) 3.802 2.523 ( 0.000 -2.336 2.161) 3.182 2.523 ( 0.000 2.336 2.161) 3.182 2.601 ( 0.000 -1.303 3.952) 4.161 2.601 ( 0.000 1.303 3.952) 4.161 2.649 ( 0.000 -1.311 7.037) 7.158 2.649 ( 0.000 1.311 7.037) 7.158 2.772 ( 0.000 -4.318 -1.879) 4.710 2.772 ( 0.000 4.318 -1.879) 4.710 2.870 ( 0.000 -2.109 7.498) 7.789 2.870 ( 0.000 2.109 7.498) 7.789 2.955 ( 0.000 -2.524 5.649) 6.188 2.955 ( 0.000 2.524 5.649) 6.188 2.967 ( 0.000 -4.241 2.088) 4.727 2.967 ( -0.000 4.241 2.088) 4.727 3.357 ( 0.000 -10.372 -5.018) 11.523 3.357 ( 0.000 10.372 -5.018) 11.523 3.363 ( -0.000 -5.189 -3.837) 6.453 3.363 ( -0.000 5.189 -3.837) 6.453 3.734 ( 0.000 -1.837 -6.350) 6.610 3.734 ( 0.000 1.837 -6.350) 6.610 3.830 ( 0.000 -2.208 -2.111) 3.055 3.830 ( 0.000 2.208 -2.111) 3.055 3.971 ( 0.000 -7.564 2.388) 7.932 3.971 ( 0.000 7.564 2.388) 7.932 4.031 ( -0.000 -9.519 4.091) 10.361 4.031 ( -0.000 9.519 4.091) 10.361 4.310 ( 0.000 -0.427 -0.043) 0.429 4.310 ( 0.000 0.427 -0.043) 0.429 4.384 ( 0.000 -2.634 2.238) 3.457 4.384 ( 0.000 2.634 2.238) 3.457 4.730 ( -0.000 -5.787 -1.208) 5.912 4.730 ( 0.000 5.787 -1.208) 5.912 4.738 ( 0.000 -4.133 -1.034) 4.260 4.738 ( -0.000 4.133 -1.034) 4.260 5.004 ( 0.000 -4.414 -0.562) 4.450 5.004 ( 0.000 4.414 -0.562) 4.450 5.010 ( -0.000 -4.505 -0.535) 4.537 5.010 ( 0.000 4.505 -0.535) 4.537 7.083 ( 0.000 -1.193 -2.334) 2.621 7.083 ( 0.000 1.193 -2.334) 2.621 7.158 ( 0.000 -2.739 1.016) 2.921 7.158 ( 0.000 2.739 1.016) 2.921 7.565 ( 0.000 -5.857 -1.532) 6.054 7.565 ( 0.000 5.857 -1.532) 6.054 7.694 ( 0.000 -5.209 4.319) 6.767 7.694 ( 0.000 5.209 4.319) 6.767 10.347 ( -0.000 -4.113 -1.299) 4.313 10.347 ( 0.000 4.113 -1.299) 4.313 10.377 ( 0.000 -3.665 0.521) 3.702 10.377 ( 0.000 3.665 0.521) 3.702 11.006 ( 0.000 -6.865 -0.913) 6.926 11.006 ( 0.000 6.865 -0.913) 6.926 11.089 ( 0.000 -6.848 3.366) 7.631 11.089 ( 0.000 6.848 3.366) 7.631 11.585 ( 0.000 -1.882 -2.383) 3.037 11.585 ( 0.000 1.882 -2.383) 3.037 11.681 ( 0.000 -2.779 3.081) 4.150 11.681 ( 0.000 2.779 3.081) 4.150 12.943 ( 0.000 -2.348 -4.264) 4.867 12.943 ( 0.000 2.348 -4.264) 4.867 13.057 ( 0.000 -1.606 1.131) 1.964 13.057 ( 0.000 1.606 1.131) 1.964 13.191 ( 0.000 -2.846 -3.895) 4.823 13.191 ( 0.000 2.846 -3.895) 4.823 13.299 ( -0.000 -1.642 -0.416) 1.693 13.299 ( -0.000 1.642 -0.416) 1.693 13.365 ( 0.000 -2.423 1.802) 3.020 13.365 ( 0.000 2.423 1.802) 3.020 13.418 ( -0.000 -3.016 5.201) 6.012 13.418 ( 0.000 3.016 5.201) 6.012 13.604 ( 0.000 -2.663 -0.818) 2.786 13.604 ( 0.000 2.663 -0.818) 2.786 13.634 ( 0.000 -3.732 -0.660) 3.790 13.634 ( -0.000 3.732 -0.660) 3.790 13.848 ( 0.000 -4.621 -5.360) 7.077 13.848 ( 0.000 4.621 -5.360) 7.077 14.131 ( 0.000 -5.857 7.984) 9.902 14.131 ( 0.000 5.857 7.984) 9.902 15.037 ( 0.000 -5.150 -5.715) 7.693 15.037 ( 0.000 5.150 -5.715) 7.693 15.233 ( 0.000 -3.644 4.045) 5.444 15.233 ( 0.000 3.644 4.045) 5.444 15.519 ( 0.000 -0.870 -7.562) 7.612 15.519 ( 0.000 0.870 -7.562) 7.612 15.806 ( 0.000 -1.848 6.268) 6.535 15.806 ( 0.000 1.848 6.268) 6.535 ======================= Grid point 90 (31/60) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.525 ( 0.000 0.000 11.897) 11.897 0.573 ( 0.000 0.000 13.584) 13.584 0.862 ( 0.000 0.000 4.162) 4.162 0.870 ( 0.000 0.000 -1.629) 1.629 0.930 ( 0.000 0.000 5.496) 5.496 1.027 ( 0.000 0.000 -1.653) 1.653 1.067 ( 0.000 0.000 -3.113) 3.113 1.179 ( 0.000 0.000 -1.648) 1.648 1.223 ( 0.000 0.000 -1.190) 1.190 1.246 ( 0.000 0.000 14.240) 14.240 1.272 ( 0.000 0.000 -2.891) 2.891 1.334 ( 0.000 0.000 -0.759) 0.759 1.371 ( 0.000 0.000 4.360) 4.360 1.414 ( 0.000 0.000 10.768) 10.768 1.446 ( 0.000 0.000 -3.647) 3.647 1.475 ( 0.000 0.000 -1.123) 1.123 1.523 ( 0.000 0.000 -5.081) 5.081 1.551 ( 0.000 0.000 -3.756) 3.756 1.594 ( 0.000 0.000 -0.786) 0.786 1.686 ( 0.000 0.000 -2.427) 2.427 1.689 ( 0.000 0.000 -4.165) 4.165 1.707 ( 0.000 0.000 -1.410) 1.410 1.721 ( 0.000 0.000 -7.621) 7.621 1.762 ( 0.000 0.000 -1.761) 1.761 1.816 ( 0.000 0.000 2.993) 2.993 1.819 ( 0.000 0.000 -0.456) 0.456 1.830 ( 0.000 0.000 2.419) 2.419 1.831 ( 0.000 0.000 7.535) 7.535 1.942 ( 0.000 0.000 1.176) 1.176 1.987 ( 0.000 0.000 -1.010) 1.010 1.996 ( 0.000 0.000 -3.769) 3.769 2.003 ( 0.000 0.000 -0.547) 0.547 2.036 ( 0.000 0.000 1.233) 1.233 2.050 ( 0.000 0.000 -2.135) 2.135 2.084 ( 0.000 0.000 4.253) 4.253 2.123 ( 0.000 0.000 2.987) 2.987 2.158 ( 0.000 0.000 4.982) 4.982 2.172 ( 0.000 0.000 0.368) 0.368 2.254 ( 0.000 0.000 -0.698) 0.698 2.266 ( 0.000 0.000 -4.971) 4.971 2.275 ( 0.000 0.000 0.108) 0.108 2.358 ( 0.000 0.000 -0.042) 0.042 2.381 ( 0.000 0.000 4.829) 4.829 2.408 ( 0.000 0.000 1.620) 1.620 2.412 ( 0.000 0.000 0.700) 0.700 2.457 ( 0.000 0.000 -4.532) 4.532 2.593 ( 0.000 0.000 4.641) 4.641 2.600 ( 0.000 0.000 -6.241) 6.241 2.640 ( 0.000 0.000 -7.889) 7.889 2.644 ( 0.000 0.000 4.433) 4.433 2.656 ( 0.000 0.000 -1.035) 1.035 2.708 ( 0.000 0.000 1.069) 1.069 2.759 ( 0.000 0.000 0.656) 0.656 2.938 ( 0.000 0.000 -4.031) 4.031 2.938 ( 0.000 0.000 -1.570) 1.570 2.958 ( 0.000 0.000 3.025) 3.025 3.045 ( 0.000 0.000 -7.915) 7.915 3.080 ( 0.000 0.000 -7.559) 7.559 3.086 ( 0.000 0.000 5.472) 5.472 3.127 ( 0.000 0.000 0.397) 0.397 3.146 ( 0.000 0.000 -6.639) 6.639 3.208 ( 0.000 0.000 2.633) 2.633 3.375 ( 0.000 0.000 8.072) 8.072 3.543 ( 0.000 0.000 -3.919) 3.919 3.581 ( 0.000 0.000 6.961) 6.961 3.741 ( 0.000 0.000 -3.086) 3.086 3.764 ( 0.000 0.000 -3.404) 3.404 3.819 ( 0.000 0.000 -4.066) 4.066 3.937 ( 0.000 0.000 1.316) 1.316 4.018 ( 0.000 0.000 5.296) 5.296 4.044 ( 0.000 0.000 -3.950) 3.950 4.145 ( 0.000 0.000 10.393) 10.393 4.239 ( 0.000 0.000 -4.452) 4.452 4.311 ( 0.000 0.000 4.575) 4.575 4.451 ( 0.000 0.000 -2.956) 2.956 4.452 ( 0.000 0.000 3.045) 3.045 4.493 ( 0.000 0.000 -5.946) 5.946 4.619 ( 0.000 0.000 -6.252) 6.252 4.726 ( 0.000 0.000 7.171) 7.171 4.897 ( 0.000 0.000 -1.796) 1.796 4.911 ( 0.000 0.000 -2.104) 2.104 4.915 ( 0.000 0.000 -2.924) 2.924 5.249 ( 0.000 0.000 5.207) 5.207 5.341 ( 0.000 0.000 0.873) 0.873 6.877 ( 0.000 0.000 -1.276) 1.276 6.886 ( 0.000 0.000 -1.869) 1.869 7.174 ( 0.000 0.000 0.452) 0.452 7.185 ( 0.000 0.000 0.210) 0.210 7.336 ( 0.000 0.000 5.866) 5.866 7.526 ( 0.000 0.000 -3.571) 3.571 7.600 ( 0.000 0.000 2.696) 2.696 7.753 ( 0.000 0.000 -4.410) 4.410 10.174 ( 0.000 0.000 3.238) 3.238 10.373 ( 0.000 0.000 -6.851) 6.851 10.804 ( 0.000 0.000 8.736) 8.736 10.840 ( 0.000 0.000 4.712) 4.712 10.876 ( 0.000 0.000 6.287) 6.287 10.921 ( 0.000 0.000 4.199) 4.199 11.104 ( 0.000 0.000 -1.956) 1.956 11.159 ( 0.000 0.000 -5.294) 5.294 11.167 ( 0.000 0.000 -2.478) 2.478 11.403 ( 0.000 0.000 -10.988) 10.988 11.874 ( 0.000 0.000 5.492) 5.492 11.976 ( 0.000 0.000 1.042) 1.042 12.815 ( 0.000 0.000 2.897) 2.897 12.906 ( 0.000 0.000 -1.743) 1.743 12.926 ( 0.000 0.000 5.299) 5.299 13.125 ( 0.000 0.000 8.295) 8.295 13.173 ( 0.000 0.000 -6.624) 6.624 13.302 ( 0.000 0.000 1.055) 1.055 13.303 ( 0.000 0.000 -3.523) 3.523 13.360 ( 0.000 0.000 -1.016) 1.016 13.399 ( 0.000 0.000 0.997) 0.997 13.524 ( 0.000 0.000 -2.329) 2.329 13.539 ( 0.000 0.000 3.915) 3.915 13.547 ( 0.000 0.000 5.489) 5.489 13.565 ( 0.000 0.000 2.995) 2.995 13.596 ( 0.000 0.000 5.878) 5.878 13.711 ( 0.000 0.000 -3.176) 3.176 13.814 ( 0.000 0.000 -11.979) 11.979 13.890 ( 0.000 0.000 -7.899) 7.899 13.914 ( 0.000 0.000 -9.171) 9.171 14.014 ( 0.000 0.000 7.067) 7.067 14.224 ( 0.000 0.000 -4.037) 4.037 14.971 ( 0.000 0.000 0.975) 0.975 15.023 ( 0.000 0.000 -1.727) 1.727 15.173 ( 0.000 0.000 1.164) 1.164 15.184 ( 0.000 0.000 0.446) 0.446 15.338 ( 0.000 0.000 13.069) 13.069 15.787 ( 0.000 0.000 -8.607) 8.607 15.955 ( 0.000 0.000 2.784) 2.784 16.086 ( 0.000 0.000 -4.404) 4.404 ======================= Grid point 91 (32/60) ======================= q-point: ( 0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.565 ( 4.090 0.000 10.361) 11.139 0.579 ( 1.588 0.000 13.579) 13.672 0.874 ( 0.880 0.000 -1.288) 1.560 0.925 ( 5.474 0.000 3.946) 6.748 0.976 ( 2.299 0.000 -1.714) 2.868 1.015 ( -0.718 0.000 -1.685) 1.832 1.106 ( 3.710 0.000 -1.854) 4.148 1.130 ( -5.175 0.000 -0.323) 5.185 1.238 ( 1.819 0.000 1.436) 2.318 1.242 ( 1.566 0.000 -6.238) 6.431 1.279 ( 1.850 0.000 4.636) 4.991 1.373 ( 0.921 0.000 5.576) 5.652 1.384 ( -1.148 0.000 10.326) 10.390 1.407 ( 0.456 0.000 -3.593) 3.621 1.449 ( 0.025 0.000 -1.372) 1.373 1.479 ( 0.994 0.000 -3.799) 3.927 1.532 ( 0.198 0.000 -2.328) 2.336 1.549 ( 0.321 0.000 -2.289) 2.312 1.582 ( -0.501 0.000 -1.321) 1.413 1.614 ( -3.665 0.000 -3.742) 5.238 1.638 ( -2.864 0.000 -3.520) 4.538 1.726 ( -0.824 0.000 -0.961) 1.266 1.750 ( 0.452 0.000 -0.268) 0.526 1.752 ( -0.519 0.000 -3.487) 3.525 1.827 ( 1.142 0.000 -1.280) 1.715 1.833 ( 1.000 0.000 4.947) 5.047 1.843 ( 1.254 0.000 6.290) 6.414 1.870 ( 3.112 0.000 -2.024) 3.713 1.939 ( -0.768 0.000 0.387) 0.860 1.947 ( -2.982 0.000 -0.581) 3.038 2.001 ( 0.373 0.000 -3.652) 3.671 2.030 ( 1.544 0.000 -0.720) 1.703 2.030 ( 0.466 0.000 2.077) 2.129 2.041 ( -0.861 0.000 -0.965) 1.293 2.077 ( -0.365 0.000 2.296) 2.325 2.107 ( -1.277 0.000 1.039) 1.646 2.137 ( -2.893 0.000 0.264) 2.905 2.202 ( 3.427 0.000 6.202) 7.086 2.246 ( -0.807 0.000 -3.479) 3.571 2.275 ( -0.500 0.000 1.580) 1.657 2.278 ( 0.649 0.000 -0.528) 0.837 2.356 ( 0.104 0.000 -0.539) 0.549 2.365 ( -0.501 0.000 1.184) 1.286 2.404 ( -0.293 0.000 1.322) 1.355 2.435 ( 1.640 0.000 2.068) 2.640 2.443 ( -1.511 0.000 -3.753) 4.046 2.577 ( -2.290 0.000 -6.189) 6.599 2.600 ( 0.534 0.000 5.091) 5.119 2.618 ( -2.291 0.000 -6.676) 7.058 2.650 ( 2.069 0.000 6.930) 7.232 2.679 ( -2.250 0.000 0.608) 2.331 2.708 ( 3.347 0.000 -1.718) 3.762 2.766 ( 1.038 0.000 2.930) 3.108 2.913 ( -2.949 0.000 2.822) 4.081 2.946 ( 0.108 0.000 -0.657) 0.666 2.964 ( 1.751 0.000 -0.507) 1.823 3.026 ( -3.404 0.000 3.462) 4.855 3.070 ( 1.011 0.000 -8.117) 8.179 3.085 ( -3.555 0.000 1.419) 3.827 3.108 ( 2.666 0.000 -8.589) 8.993 3.201 ( 4.569 0.000 -6.974) 8.338 3.217 ( 0.005 0.000 0.417) 0.417 3.363 ( -1.468 0.000 6.413) 6.579 3.436 ( -7.824 0.000 -0.856) 7.871 3.548 ( -2.915 0.000 7.074) 7.651 3.700 ( -4.347 0.000 -2.292) 4.914 3.724 ( -2.110 0.000 -2.554) 3.313 3.801 ( -0.115 0.000 -5.131) 5.133 4.015 ( 0.029 0.000 5.504) 5.504 4.027 ( 6.052 0.000 0.579) 6.079 4.126 ( 5.656 0.000 -3.024) 6.414 4.181 ( 3.854 0.000 8.251) 9.107 4.245 ( 0.586 0.000 -4.910) 4.945 4.323 ( 1.277 0.000 4.220) 4.409 4.447 ( -0.502 0.000 -2.647) 2.694 4.474 ( 2.011 0.000 2.883) 3.515 4.485 ( -0.875 0.000 -4.973) 5.049 4.614 ( -0.618 0.000 -4.599) 4.641 4.643 ( -6.834 0.000 5.172) 8.570 4.769 ( -7.395 0.000 -1.853) 7.624 4.945 ( 3.366 0.000 0.281) 3.378 5.020 ( 4.382 0.000 -2.709) 5.152 5.220 ( -2.849 0.000 4.392) 5.236 5.299 ( -4.206 0.000 0.596) 4.248 6.922 ( 3.293 0.000 -1.510) 3.623 6.955 ( 6.111 0.000 -4.151) 7.387 7.189 ( 0.868 0.000 0.215) 0.895 7.189 ( 0.932 0.000 0.200) 0.954 7.335 ( 0.136 0.000 5.280) 5.281 7.515 ( -1.217 0.000 -3.679) 3.875 7.632 ( 3.066 0.000 2.931) 4.241 7.761 ( 1.158 0.000 -2.595) 2.841 10.178 ( 0.317 0.000 3.360) 3.375 10.372 ( -0.088 0.000 -6.432) 6.432 10.754 ( -4.712 0.000 6.917) 8.369 10.782 ( -5.239 0.000 4.294) 6.774 10.907 ( 3.020 0.000 5.914) 6.640 10.916 ( -1.131 0.000 3.238) 3.429 11.067 ( -3.573 0.000 -2.537) 4.382 11.177 ( 1.803 0.000 -5.068) 5.379 11.217 ( 5.062 0.000 -0.538) 5.091 11.420 ( 1.935 0.000 -9.307) 9.506 11.861 ( -1.315 0.000 4.621) 4.805 11.935 ( -3.962 0.000 1.266) 4.159 12.847 ( 3.192 0.000 2.751) 4.214 12.921 ( 1.439 0.000 -1.261) 1.913 12.956 ( 2.672 0.000 4.521) 5.252 13.122 ( -0.214 0.000 6.735) 6.738 13.198 ( -1.801 0.000 -6.853) 7.085 13.262 ( 1.430 0.000 -4.133) 4.374 13.305 ( -0.733 0.000 1.251) 1.450 13.385 ( -0.561 0.000 1.989) 2.067 13.400 ( 1.690 0.000 0.622) 1.801 13.463 ( -5.632 0.000 -2.636) 6.219 13.502 ( -2.907 0.000 3.776) 4.766 13.514 ( -2.099 0.000 5.214) 5.620 13.605 ( 3.438 0.000 0.579) 3.487 13.631 ( 2.337 0.000 4.093) 4.713 13.742 ( 2.208 0.000 -1.988) 2.971 13.756 ( -4.673 0.000 -10.064) 11.096 13.878 ( -0.246 0.000 -8.549) 8.553 13.945 ( 0.348 0.000 -8.952) 8.959 13.981 ( -2.852 0.000 5.720) 6.391 14.125 ( -8.462 0.000 -2.225) 8.750 15.004 ( 3.192 0.000 0.631) 3.254 15.037 ( 1.324 0.000 -1.163) 1.762 15.186 ( 1.283 0.000 1.561) 2.021 15.212 ( 2.549 0.000 0.319) 2.569 15.331 ( -0.377 0.000 12.126) 12.132 15.763 ( -2.307 0.000 -8.599) 8.903 15.874 ( -6.738 0.000 6.789) 9.566 16.052 ( -3.370 0.000 -4.265) 5.436 ======================= Grid point 92 (33/60) ======================= q-point: ( 0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.650 ( 5.301 0.000 9.013) 10.456 0.676 ( 7.032 0.000 6.720) 9.726 0.897 ( 1.378 0.000 -2.841) 3.157 0.956 ( -2.582 0.000 -0.829) 2.711 1.011 ( 1.669 0.000 -4.808) 5.089 1.014 ( -1.050 0.000 1.056) 1.489 1.129 ( 7.122 0.000 -2.965) 7.714 1.171 ( 2.693 0.000 0.532) 2.745 1.263 ( 0.154 0.000 0.244) 0.289 1.284 ( -0.632 0.000 0.158) 0.651 1.286 ( 1.669 0.000 -6.966) 7.163 1.341 ( -4.450 0.000 -3.944) 5.946 1.385 ( 0.100 0.000 2.205) 2.207 1.409 ( -0.247 0.000 4.228) 4.235 1.443 ( -2.637 0.000 -2.668) 3.752 1.452 ( 0.002 0.000 -6.849) 6.849 1.531 ( 0.798 0.000 -0.989) 1.271 1.553 ( -2.544 0.000 -4.745) 5.384 1.579 ( 1.333 0.000 -0.549) 1.442 1.609 ( 0.638 0.000 -2.979) 3.046 1.625 ( 2.829 0.000 0.716) 2.918 1.695 ( -2.389 0.000 1.676) 2.919 1.708 ( -3.125 0.000 -5.467) 6.297 1.753 ( -0.117 0.000 -0.052) 0.128 1.826 ( -2.403 0.000 1.834) 3.023 1.846 ( -0.339 0.000 -0.631) 0.717 1.866 ( 0.772 0.000 4.622) 4.686 1.895 ( -1.674 0.000 0.177) 1.683 1.920 ( 1.692 0.000 0.972) 1.952 1.928 ( 1.022 0.000 0.457) 1.119 1.996 ( -2.306 0.000 -0.530) 2.366 2.016 ( -0.405 0.000 0.708) 0.815 2.037 ( -2.006 0.000 0.473) 2.061 2.055 ( 1.472 0.000 -2.565) 2.957 2.083 ( 1.566 0.000 2.068) 2.594 2.093 ( -0.290 0.000 -1.207) 1.241 2.112 ( 2.177 0.000 0.501) 2.234 2.229 ( -0.733 0.000 -4.891) 4.946 2.237 ( -1.575 0.000 1.482) 2.163 2.268 ( 1.210 0.000 4.049) 4.226 2.270 ( -1.066 0.000 2.428) 2.652 2.365 ( 0.198 0.000 -0.605) 0.636 2.372 ( 1.135 0.000 -0.311) 1.177 2.396 ( -2.860 0.000 -2.875) 4.055 2.415 ( 1.417 0.000 1.910) 2.378 2.469 ( 2.049 0.000 1.424) 2.495 2.505 ( -4.742 0.000 -6.538) 8.077 2.574 ( -1.569 0.000 -2.796) 3.206 2.616 ( 1.233 0.000 6.918) 7.027 2.659 ( 0.083 0.000 1.238) 1.241 2.720 ( 3.736 0.000 6.855) 7.807 2.739 ( 0.324 0.000 2.329) 2.351 2.792 ( 1.482 0.000 3.404) 3.713 2.873 ( -0.273 0.000 3.503) 3.514 2.921 ( -2.802 0.000 3.463) 4.455 2.952 ( -3.406 0.000 4.263) 5.457 3.008 ( -3.938 0.000 2.459) 4.643 3.019 ( 3.091 0.000 -1.855) 3.605 3.089 ( -0.081 0.000 -9.057) 9.057 3.189 ( 5.304 0.000 -8.520) 10.036 3.192 ( -2.314 0.000 -0.469) 2.361 3.272 ( 0.399 0.000 -3.297) 3.321 3.319 ( -2.156 0.000 4.416) 4.915 3.345 ( 0.268 0.000 0.757) 0.803 3.522 ( 2.354 0.000 1.840) 2.988 3.637 ( -1.954 0.000 -0.783) 2.105 3.670 ( -3.253 0.000 -2.084) 3.864 3.796 ( -0.925 0.000 -5.816) 5.889 4.039 ( 2.746 0.000 5.059) 5.756 4.118 ( 2.239 0.000 -0.204) 2.248 4.192 ( 0.633 0.000 1.289) 1.436 4.259 ( 0.770 0.000 -4.609) 4.673 4.268 ( 2.637 0.000 3.750) 4.584 4.375 ( 4.969 0.000 0.957) 5.060 4.427 ( -1.856 0.000 -2.106) 2.807 4.456 ( -1.818 0.000 -1.761) 2.531 4.503 ( -4.289 0.000 3.147) 5.320 4.524 ( 0.969 0.000 4.012) 4.127 4.567 ( -3.948 0.000 -0.916) 4.053 4.692 ( 0.094 0.000 -3.228) 3.230 4.999 ( 1.914 0.000 1.529) 2.449 5.078 ( 1.326 0.000 -2.106) 2.489 5.146 ( -4.410 0.000 2.009) 4.846 5.187 ( -6.806 0.000 -0.241) 6.810 6.994 ( 3.706 0.000 -0.877) 3.809 7.054 ( 3.628 0.000 -4.663) 5.908 7.192 ( -0.153 0.000 0.566) 0.587 7.219 ( 1.054 0.000 -0.982) 1.441 7.355 ( 2.099 0.000 3.622) 4.186 7.487 ( -1.310 0.000 -3.035) 3.306 7.706 ( 4.148 0.000 3.464) 5.404 7.798 ( 2.325 0.000 -0.144) 2.329 10.187 ( 0.770 0.000 3.440) 3.525 10.366 ( -0.608 0.000 -5.338) 5.373 10.646 ( -5.813 0.000 4.157) 7.146 10.657 ( -7.121 0.000 3.035) 7.741 10.874 ( -2.810 0.000 1.537) 3.203 10.945 ( -2.497 0.000 -1.459) 2.892 11.023 ( 2.761 0.000 4.045) 4.897 11.227 ( 3.141 0.000 -4.372) 5.383 11.344 ( 7.282 0.000 0.886) 7.336 11.476 ( 3.237 0.000 -5.238) 6.158 11.823 ( -2.598 0.000 2.584) 3.664 11.840 ( -5.201 0.000 1.387) 5.383 12.927 ( 4.533 0.000 2.085) 4.990 12.959 ( 2.459 0.000 -0.195) 2.466 13.012 ( 2.710 0.000 2.754) 3.863 13.106 ( -1.509 0.000 3.888) 4.170 13.130 ( -3.480 0.000 -2.590) 4.338 13.270 ( -4.740 0.000 -5.133) 6.987 13.273 ( -1.904 0.000 -0.592) 1.994 13.364 ( -1.388 0.000 -3.096) 3.393 13.365 ( -2.601 0.000 4.896) 5.544 13.418 ( -0.560 0.000 0.207) 0.597 13.462 ( -0.276 0.000 5.536) 5.543 13.496 ( 0.605 0.000 3.059) 3.118 13.656 ( -1.715 0.000 -0.074) 1.717 13.677 ( 2.655 0.000 0.896) 2.803 13.679 ( 0.096 0.000 -8.243) 8.243 13.763 ( -0.669 0.000 -0.763) 1.015 13.807 ( -8.374 0.000 -4.604) 9.557 13.918 ( -1.556 0.000 -7.139) 7.307 13.939 ( -0.586 0.000 2.490) 2.558 14.006 ( -2.526 0.000 -4.153) 4.861 15.069 ( 1.891 0.000 0.259) 1.908 15.082 ( 4.400 0.000 0.020) 4.400 15.221 ( 2.180 0.000 2.582) 3.379 15.248 ( 0.202 0.000 4.293) 4.297 15.363 ( 4.645 0.000 5.194) 6.968 15.704 ( -3.542 0.000 -8.078) 8.821 15.745 ( -5.900 0.000 8.907) 10.683 15.959 ( -6.077 0.000 -3.765) 7.148 ======================= Grid point 93 (34/60) ======================= q-point: ( 0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( 5.450 0.000 2.713) 6.088 0.823 ( 7.272 0.000 1.880) 7.511 0.902 ( -2.028 0.000 -1.678) 2.632 0.937 ( 2.914 0.000 -4.673) 5.507 1.020 ( 1.802 0.000 -3.192) 3.666 1.035 ( 0.493 0.000 -3.936) 3.967 1.204 ( -2.421 0.000 -1.484) 2.839 1.215 ( -6.430 0.000 -6.585) 9.204 1.222 ( -0.507 0.000 -0.883) 1.018 1.257 ( 2.721 0.000 -0.531) 2.773 1.311 ( 2.344 0.000 -2.863) 3.700 1.318 ( 1.198 0.000 -4.859) 5.004 1.344 ( -0.970 0.000 1.505) 1.790 1.399 ( -1.235 0.000 -2.477) 2.767 1.402 ( -0.250 0.000 -2.922) 2.933 1.496 ( 2.752 0.000 -2.401) 3.653 1.501 ( -3.224 0.000 -5.837) 6.668 1.549 ( 0.584 0.000 -0.609) 0.843 1.602 ( 2.007 0.000 -0.793) 2.158 1.614 ( -3.716 0.000 -0.051) 3.716 1.627 ( 0.817 0.000 -1.795) 1.972 1.662 ( 0.539 0.000 -1.282) 1.390 1.672 ( -1.887 0.000 -2.610) 3.221 1.719 ( -4.533 0.000 -1.955) 4.936 1.774 ( -0.771 0.000 1.117) 1.357 1.813 ( -2.138 0.000 -0.446) 2.184 1.881 ( -0.014 0.000 1.934) 1.934 1.887 ( -0.079 0.000 1.198) 1.200 1.925 ( -0.121 0.000 2.808) 2.811 1.948 ( -1.479 0.000 1.243) 1.932 1.983 ( 1.771 0.000 1.385) 2.249 1.991 ( -2.391 0.000 1.997) 3.116 1.992 ( 0.574 0.000 -1.156) 1.290 2.077 ( -0.036 0.000 -1.128) 1.128 2.108 ( 2.317 0.000 -3.053) 3.833 2.135 ( 2.503 0.000 1.009) 2.699 2.164 ( 1.495 0.000 2.076) 2.558 2.211 ( 0.752 0.000 -1.595) 1.763 2.215 ( -1.245 0.000 -2.095) 2.437 2.253 ( -0.472 0.000 1.662) 1.728 2.273 ( -0.468 0.000 0.829) 0.952 2.352 ( -1.051 0.000 -2.997) 3.176 2.366 ( -0.142 0.000 -0.716) 0.730 2.379 ( -1.885 0.000 -2.481) 3.116 2.425 ( -2.011 0.000 -2.574) 3.266 2.439 ( 0.439 0.000 -0.022) 0.440 2.512 ( 1.980 0.000 0.536) 2.052 2.553 ( -0.773 0.000 -0.930) 1.209 2.645 ( 1.299 0.000 4.534) 4.716 2.664 ( 0.101 0.000 1.521) 1.524 2.710 ( 0.430 0.000 5.939) 5.954 2.821 ( 1.284 0.000 3.195) 3.443 2.835 ( 4.823 0.000 8.783) 10.020 2.848 ( -3.875 0.000 5.843) 7.011 2.889 ( 1.475 0.000 3.733) 4.014 2.907 ( -1.335 0.000 2.955) 3.243 2.945 ( -2.020 0.000 4.586) 5.011 3.052 ( -3.261 0.000 -4.195) 5.314 3.055 ( 1.266 0.000 -4.921) 5.081 3.157 ( -0.785 0.000 3.056) 3.155 3.210 ( -4.211 0.000 4.473) 6.144 3.243 ( -3.503 0.000 2.430) 4.263 3.332 ( 5.598 0.000 -6.294) 8.423 3.447 ( 6.988 0.000 -2.019) 7.273 3.612 ( 2.396 0.000 -3.500) 4.242 3.614 ( -0.795 0.000 -0.356) 0.871 3.670 ( 8.263 0.000 -3.482) 8.967 3.764 ( -1.963 0.000 -5.779) 6.103 4.071 ( -6.946 0.000 -0.187) 6.948 4.093 ( -10.242 0.000 2.678) 10.586 4.123 ( 5.548 0.000 3.294) 6.453 4.273 ( 0.364 0.000 -3.925) 3.942 4.299 ( 1.430 0.000 3.403) 3.691 4.368 ( -3.595 0.000 0.920) 3.711 4.453 ( 1.307 0.000 -0.318) 1.346 4.455 ( 0.062 0.000 2.467) 2.467 4.475 ( 3.148 0.000 -2.221) 3.853 4.512 ( -1.765 0.000 0.011) 1.765 4.589 ( 5.439 0.000 3.404) 6.417 4.722 ( 1.942 0.000 -2.619) 3.260 5.000 ( -2.657 0.000 2.217) 3.460 5.019 ( -6.835 0.000 0.874) 6.891 5.081 ( -0.992 0.000 -1.372) 1.693 5.108 ( -0.918 0.000 -2.752) 2.901 7.059 ( 2.989 0.000 -0.605) 3.049 7.101 ( 1.383 0.000 -3.018) 3.320 7.184 ( -0.441 0.000 -0.164) 0.471 7.214 ( -1.499 0.000 -1.528) 2.140 7.408 ( 2.915 0.000 1.908) 3.484 7.471 ( -0.497 0.000 -1.352) 1.440 7.782 ( 3.392 0.000 3.835) 5.120 7.834 ( 0.995 0.000 1.841) 2.093 10.217 ( 2.447 0.000 2.570) 3.549 10.344 ( -1.983 0.000 -3.132) 3.706 10.530 ( -5.030 0.000 1.148) 5.159 10.544 ( -4.332 0.000 1.131) 4.477 10.827 ( -1.628 0.000 0.448) 1.689 10.868 ( -3.695 0.000 -1.906) 4.158 11.128 ( 6.440 0.000 4.400) 7.800 11.280 ( 1.403 0.000 -2.161) 2.577 11.474 ( 5.275 0.000 0.353) 5.287 11.515 ( 0.532 0.000 -1.821) 1.897 11.763 ( -2.190 0.000 1.254) 2.523 11.767 ( -2.672 0.000 1.570) 3.099 12.995 ( 1.779 0.000 0.776) 1.941 13.011 ( 2.332 0.000 0.302) 2.352 13.032 ( -0.347 0.000 -0.206) 0.404 13.068 ( -2.797 0.000 -1.690) 3.268 13.128 ( 4.774 0.000 1.845) 5.118 13.166 ( -3.906 0.000 -1.304) 4.117 13.218 ( -3.870 0.000 1.056) 4.012 13.315 ( -1.504 0.000 1.928) 2.445 13.335 ( -2.578 0.000 -3.896) 4.672 13.373 ( -4.128 0.000 -0.727) 4.191 13.480 ( 1.474 0.000 6.166) 6.339 13.537 ( 3.402 0.000 2.221) 4.063 13.588 ( -4.254 0.000 -0.476) 4.281 13.669 ( -2.958 0.000 -3.293) 4.426 13.689 ( -1.431 0.000 2.087) 2.530 13.725 ( -2.366 0.000 0.028) 2.366 13.740 ( 3.564 0.000 -3.604) 5.069 13.876 ( -2.845 0.000 -9.727) 10.135 13.954 ( 1.401 0.000 -0.119) 1.406 13.986 ( -0.328 0.000 -2.939) 2.957 15.108 ( 1.972 0.000 2.075) 2.862 15.150 ( 1.631 0.000 1.875) 2.485 15.248 ( 0.860 0.000 3.530) 3.633 15.262 ( 1.774 0.000 3.358) 3.798 15.490 ( 7.596 0.000 0.463) 7.610 15.636 ( -3.107 0.000 -5.853) 6.626 15.653 ( -3.391 0.000 6.117) 6.994 15.823 ( -7.765 0.000 -2.802) 8.255 ======================= Grid point 94 (35/60) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.843 ( -2.921 0.000 -2.345) 3.746 0.843 ( 2.921 0.000 -2.345) 3.746 0.954 ( -3.131 0.000 -1.203) 3.354 0.954 ( 3.131 0.000 -1.203) 3.354 1.065 ( -0.516 0.000 -3.829) 3.863 1.065 ( 0.516 0.000 -3.829) 3.863 1.111 ( -0.575 0.000 -6.439) 6.464 1.111 ( 0.575 0.000 -6.439) 6.464 1.245 ( -0.600 0.000 0.457) 0.754 1.245 ( 0.600 0.000 0.457) 0.754 1.347 ( -0.063 0.000 -3.775) 3.776 1.347 ( 0.063 0.000 -3.775) 3.776 1.366 ( -0.596 0.000 -0.123) 0.609 1.366 ( 0.596 0.000 -0.123) 0.609 1.427 ( -1.385 0.000 -5.954) 6.113 1.427 ( 1.385 0.000 -5.954) 6.113 1.546 ( -0.982 0.000 -1.027) 1.421 1.546 ( 0.982 0.000 -1.027) 1.421 1.607 ( -2.947 0.000 -0.016) 2.947 1.607 ( 2.947 0.000 -0.016) 2.947 1.644 ( -0.076 0.000 -3.226) 3.227 1.644 ( 0.076 0.000 -3.226) 3.227 1.655 ( -0.657 0.000 -0.286) 0.716 1.655 ( 0.657 0.000 -0.286) 0.716 1.780 ( -0.972 0.000 -0.121) 0.980 1.780 ( 0.972 0.000 -0.121) 0.980 1.874 ( -0.029 0.000 0.993) 0.994 1.874 ( 0.029 0.000 0.993) 0.994 1.941 ( -0.293 0.000 1.493) 1.521 1.941 ( 0.293 0.000 1.493) 1.521 1.959 ( -0.267 0.000 0.945) 0.982 1.959 ( 0.267 0.000 0.945) 0.982 2.062 ( -0.883 0.000 0.273) 0.925 2.062 ( 0.883 0.000 0.273) 0.925 2.141 ( -0.763 0.000 -0.656) 1.006 2.141 ( 0.763 0.000 -0.656) 1.006 2.184 ( -0.152 0.000 0.718) 0.733 2.184 ( 0.152 0.000 0.718) 0.733 2.248 ( -0.048 0.000 -0.348) 0.351 2.248 ( 0.048 0.000 -0.348) 0.351 2.297 ( -3.564 0.000 -1.846) 4.014 2.297 ( 3.564 0.000 -1.846) 4.014 2.359 ( -0.028 0.000 -2.864) 2.864 2.359 ( 0.028 0.000 -2.864) 2.864 2.429 ( -0.123 0.000 -0.724) 0.734 2.429 ( 0.123 0.000 -0.724) 0.734 2.538 ( -0.132 0.000 -0.095) 0.162 2.538 ( 0.132 0.000 -0.095) 0.162 2.659 ( -0.210 0.000 1.775) 1.788 2.659 ( 0.210 0.000 1.775) 1.788 2.763 ( -3.305 0.000 8.068) 8.719 2.763 ( 3.305 0.000 8.068) 8.719 2.860 ( -0.346 0.000 1.952) 1.982 2.860 ( 0.346 0.000 1.952) 1.982 2.894 ( -0.002 0.000 3.697) 3.697 2.894 ( 0.002 0.000 3.697) 3.697 2.981 ( -3.187 0.000 4.178) 5.255 2.981 ( 3.187 0.000 4.178) 5.255 3.113 ( -3.004 0.000 0.811) 3.112 3.113 ( 3.004 0.000 0.811) 3.112 3.173 ( -1.879 0.000 4.012) 4.430 3.173 ( 1.879 0.000 4.012) 4.430 3.444 ( -3.692 0.000 -5.959) 7.010 3.444 ( 3.692 0.000 -5.959) 7.010 3.653 ( -0.141 0.000 -4.654) 4.657 3.653 ( 0.141 0.000 -4.654) 4.657 3.801 ( -1.587 0.000 -3.107) 3.488 3.801 ( 1.587 0.000 -3.107) 3.488 3.922 ( -2.376 0.000 3.668) 4.371 3.922 ( 2.376 0.000 3.668) 4.371 4.234 ( -2.707 0.000 -0.359) 2.730 4.234 ( 2.707 0.000 -0.359) 2.730 4.320 ( -0.233 0.000 1.950) 1.964 4.320 ( 0.233 0.000 1.950) 1.964 4.469 ( -0.020 0.000 0.553) 0.554 4.469 ( 0.020 0.000 0.553) 0.554 4.494 ( -0.001 0.000 -0.214) 0.214 4.494 ( 0.001 0.000 -0.214) 0.214 4.707 ( -3.796 0.000 0.041) 3.796 4.707 ( 3.796 0.000 0.041) 3.796 4.944 ( -0.709 0.000 0.717) 1.008 4.944 ( 0.709 0.000 0.717) 1.008 5.090 ( -0.971 0.000 -1.977) 2.202 5.090 ( 0.971 0.000 -1.977) 2.202 7.105 ( -0.485 0.000 -1.228) 1.320 7.105 ( 0.485 0.000 -1.228) 1.320 7.184 ( -0.058 0.000 -1.375) 1.376 7.184 ( 0.058 0.000 -1.375) 1.376 7.453 ( -0.172 0.000 0.408) 0.443 7.453 ( 0.172 0.000 0.408) 0.443 7.830 ( -0.282 0.000 3.354) 3.366 7.830 ( 0.282 0.000 3.354) 3.366 10.282 ( -3.295 0.000 0.476) 3.330 10.282 ( 3.295 0.000 0.476) 3.330 10.490 ( -0.263 0.000 -0.485) 0.552 10.490 ( 0.263 0.000 -0.485) 0.552 10.820 ( -0.229 0.000 -0.577) 0.621 10.820 ( 0.229 0.000 -0.577) 0.621 11.246 ( -2.755 0.000 2.177) 3.511 11.246 ( 2.755 0.000 2.177) 3.511 11.522 ( -0.000 0.000 -1.970) 1.970 11.522 ( 0.000 0.000 -1.970) 1.970 11.742 ( -0.006 0.000 2.261) 2.261 11.742 ( 0.006 0.000 2.261) 2.261 13.006 ( -0.142 0.000 -0.930) 0.941 13.006 ( 0.142 0.000 -0.930) 0.941 13.053 ( -0.310 0.000 -2.280) 2.301 13.053 ( 0.310 0.000 -2.280) 2.301 13.140 ( -0.318 0.000 3.039) 3.055 13.140 ( 0.318 0.000 3.039) 3.055 13.253 ( -3.367 0.000 -1.219) 3.581 13.253 ( 3.367 0.000 -1.219) 3.581 13.307 ( -0.360 0.000 -0.284) 0.459 13.307 ( 0.360 0.000 -0.284) 0.459 13.518 ( -1.821 0.000 3.676) 4.102 13.518 ( 1.821 0.000 3.676) 4.102 13.614 ( -3.454 0.000 -0.188) 3.459 13.614 ( 3.454 0.000 -0.188) 3.459 13.683 ( -0.426 0.000 1.366) 1.430 13.683 ( 0.426 0.000 1.366) 1.430 13.813 ( -0.613 0.000 -7.625) 7.649 13.813 ( 0.613 0.000 -7.625) 7.649 13.977 ( -0.044 0.000 -1.666) 1.667 13.977 ( 0.044 0.000 -1.666) 1.667 15.143 ( -0.272 0.000 3.552) 3.562 15.143 ( 0.272 0.000 3.552) 3.562 15.274 ( -0.067 0.000 2.279) 2.280 15.274 ( 0.067 0.000 2.279) 2.280 15.596 ( -0.078 0.000 -0.781) 0.785 15.596 ( 0.078 0.000 -0.781) 0.785 15.669 ( -2.231 0.000 -0.885) 2.400 15.669 ( 2.231 0.000 -0.885) 2.400 ======================= Grid point 99 (36/60) ======================= q-point: ( 0.00 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.558 ( 0.000 4.489 8.987) 10.046 0.625 ( 0.000 4.651 12.171) 13.029 0.828 ( 0.000 -2.960 4.416) 5.316 0.859 ( 0.000 -0.848 -3.583) 3.682 0.892 ( 0.000 -2.885 0.460) 2.922 0.951 ( 0.000 -9.987 -1.359) 10.079 1.074 ( 0.000 3.024 -1.175) 3.244 1.171 ( 0.000 -1.255 -2.328) 2.644 1.217 ( 0.000 -0.182 -2.036) 2.044 1.224 ( 0.000 -0.663 -0.084) 0.668 1.348 ( 0.000 1.118 0.102) 1.123 1.351 ( 0.000 4.414 2.757) 5.204 1.386 ( 0.000 0.527 8.955) 8.970 1.408 ( 0.000 2.270 4.851) 5.356 1.411 ( 0.000 -0.405 -1.805) 1.850 1.530 ( 0.000 1.348 -2.370) 2.727 1.542 ( 0.000 -1.236 0.906) 1.533 1.576 ( 0.000 -0.033 -2.361) 2.361 1.607 ( 0.000 3.243 -1.929) 3.774 1.619 ( 0.000 -1.951 -0.445) 2.001 1.663 ( 0.000 -0.949 -5.895) 5.971 1.706 ( 0.000 -1.709 1.031) 1.996 1.732 ( 0.000 -0.876 -2.944) 3.072 1.746 ( 0.000 0.368 -5.254) 5.266 1.833 ( 0.000 1.254 2.816) 3.082 1.848 ( 0.000 2.037 0.535) 2.106 1.852 ( 0.000 1.906 2.925) 3.492 1.856 ( 0.000 1.486 2.500) 2.909 1.929 ( 0.000 -0.971 0.311) 1.019 1.945 ( 0.000 -2.185 -0.428) 2.227 1.994 ( 0.000 0.252 -1.614) 1.633 1.999 ( 0.000 -0.204 -0.070) 0.216 2.039 ( 0.000 -0.685 -0.912) 1.140 2.072 ( 0.000 -0.767 0.751) 1.074 2.089 ( 0.000 0.361 2.920) 2.942 2.114 ( 0.000 0.708 3.739) 3.806 2.138 ( 0.000 -1.827 3.343) 3.809 2.141 ( 0.000 -1.161 0.135) 1.169 2.217 ( 0.000 -2.920 2.485) 3.834 2.231 ( 0.000 -2.387 -3.935) 4.603 2.310 ( 0.000 0.542 -2.521) 2.579 2.331 ( 0.000 -1.423 -1.635) 2.167 2.404 ( 0.000 1.675 -0.193) 1.686 2.417 ( 0.000 0.957 -1.220) 1.551 2.418 ( 0.000 2.028 0.547) 2.100 2.513 ( 0.000 3.411 -2.757) 4.386 2.564 ( 0.000 -1.905 1.509) 2.431 2.590 ( 0.000 -1.443 3.935) 4.191 2.598 ( 0.000 -1.174 0.780) 1.409 2.649 ( 0.000 0.406 -0.082) 0.414 2.731 ( 0.000 1.360 -2.098) 2.500 2.740 ( 0.000 4.927 -2.205) 5.397 2.786 ( 0.000 1.985 0.496) 2.046 2.875 ( 0.000 -3.601 -0.086) 3.602 2.902 ( 0.000 -3.128 -0.432) 3.158 2.927 ( 0.000 -1.292 -4.495) 4.677 3.066 ( 0.000 -0.925 3.725) 3.838 3.074 ( 0.000 -0.631 -4.152) 4.200 3.074 ( 0.000 2.129 -2.416) 3.220 3.173 ( 0.000 2.054 -2.204) 3.012 3.205 ( 0.000 4.661 0.247) 4.668 3.271 ( 0.000 -0.334 0.038) 0.336 3.330 ( 0.000 0.947 5.007) 5.095 3.474 ( 0.000 -4.137 -2.412) 4.789 3.636 ( 0.000 3.866 6.438) 7.510 3.727 ( 0.000 0.479 1.225) 1.315 3.793 ( 0.000 1.166 -4.464) 4.614 3.814 ( 0.000 -0.302 -3.925) 3.936 3.974 ( 0.000 2.370 -0.386) 2.401 4.023 ( 0.000 -2.080 -3.240) 3.850 4.033 ( 0.000 0.802 5.347) 5.407 4.088 ( 0.000 -5.614 5.150) 7.618 4.257 ( 0.000 2.288 3.506) 4.186 4.308 ( 0.000 -0.209 1.645) 1.658 4.340 ( 0.000 -2.991 -4.149) 5.115 4.486 ( 0.000 -2.524 -5.530) 6.079 4.510 ( 0.000 -5.967 -3.540) 6.939 4.541 ( 0.000 0.671 -1.999) 2.108 4.725 ( 0.000 1.920 6.547) 6.822 4.869 ( 0.000 -2.991 -0.091) 2.992 4.996 ( 0.000 6.175 -2.539) 6.677 5.007 ( 0.000 7.302 -3.894) 8.275 5.260 ( 0.000 0.131 2.890) 2.893 5.318 ( 0.000 -2.244 0.773) 2.374 6.888 ( 0.000 1.057 -1.465) 1.807 6.903 ( 0.000 1.241 -2.508) 2.798 7.138 ( 0.000 -2.477 1.372) 2.831 7.155 ( 0.000 -2.434 0.598) 2.507 7.335 ( 0.000 -0.116 3.863) 3.865 7.446 ( 0.000 -5.353 -1.767) 5.637 7.640 ( 0.000 1.974 1.244) 2.333 7.702 ( 0.000 -2.958 -0.786) 3.061 10.202 ( 0.000 2.640 2.065) 3.352 10.343 ( 0.000 -2.796 -4.998) 5.727 10.806 ( 0.000 0.401 8.091) 8.101 10.851 ( 0.000 -1.649 6.060) 6.280 10.852 ( 0.000 1.066 4.555) 4.678 10.909 ( 0.000 -1.332 4.466) 4.660 11.143 ( 0.000 3.188 -1.513) 3.529 11.186 ( 0.000 2.215 -3.824) 4.419 11.227 ( 0.000 4.281 -4.569) 6.261 11.382 ( 0.000 -2.152 -10.059) 10.286 11.884 ( 0.000 1.030 4.741) 4.852 11.957 ( 0.000 -1.772 1.596) 2.385 12.869 ( 0.000 4.569 2.675) 5.295 12.951 ( 0.000 2.360 4.791) 5.341 12.953 ( 0.000 3.953 -1.948) 4.407 13.077 ( 0.000 -4.170 5.293) 6.738 13.155 ( 0.000 -1.867 -0.092) 1.869 13.250 ( 0.000 -4.570 -2.472) 5.196 13.297 ( 0.000 -2.273 -0.153) 2.278 13.300 ( 0.000 -0.378 0.477) 0.608 13.430 ( 0.000 0.908 -1.880) 2.088 13.492 ( 0.000 -2.153 -2.517) 3.312 13.519 ( 0.000 0.671 0.576) 0.885 13.546 ( 0.000 0.182 2.178) 2.186 13.595 ( 0.000 -1.717 1.198) 2.093 13.662 ( 0.000 -4.129 -3.204) 5.227 13.703 ( 0.000 9.105 5.086) 10.429 13.806 ( 0.000 1.587 -3.518) 3.860 13.931 ( 0.000 1.262 -5.157) 5.310 13.965 ( 0.000 4.242 -7.754) 8.838 13.981 ( 0.000 -2.831 6.325) 6.929 14.180 ( 0.000 -3.993 -4.299) 5.867 14.983 ( 0.000 0.651 0.115) 0.661 14.997 ( 0.000 -1.699 -0.828) 1.890 15.183 ( 0.000 0.253 1.435) 1.457 15.212 ( 0.000 1.621 1.202) 2.018 15.409 ( 0.000 7.107 6.616) 9.710 15.734 ( 0.000 -5.108 -7.176) 8.808 15.964 ( 0.000 1.148 0.922) 1.472 16.059 ( 0.000 -2.393 -4.056) 4.709 ======================= Grid point 100 (37/60) ======================= q-point: ( 0.12 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.583 ( 2.947 4.110 8.721) 10.081 0.654 ( 2.825 5.311 9.155) 10.954 0.870 ( 1.136 -1.709 -2.574) 3.292 0.886 ( 4.794 -2.751 4.734) 7.277 0.920 ( 1.669 -4.140 -0.862) 4.547 0.977 ( 2.654 -8.015 -2.299) 8.750 1.061 ( -0.587 2.791 -2.748) 3.960 1.170 ( -0.555 1.137 -2.662) 2.948 1.223 ( 0.972 -0.919 -2.382) 2.731 1.243 ( 0.246 0.566 -2.301) 2.382 1.287 ( 1.612 -0.213 4.041) 4.356 1.346 ( -2.934 -3.432 2.219) 5.031 1.397 ( -0.977 1.835 1.151) 2.376 1.411 ( 0.416 2.305 1.114) 2.594 1.472 ( 3.725 2.350 2.114) 4.885 1.512 ( -1.730 -0.118 -1.455) 2.264 1.532 ( -1.098 -0.368 -1.574) 1.954 1.587 ( -1.513 2.663 -2.306) 3.834 1.588 ( 0.125 -1.673 -1.492) 2.245 1.600 ( -0.532 2.377 -0.913) 2.601 1.652 ( 0.312 0.170 -4.478) 4.492 1.714 ( -1.036 -1.478 -2.763) 3.300 1.731 ( 1.376 1.200 -0.064) 1.827 1.767 ( 0.693 -2.428 -1.929) 3.177 1.802 ( -1.957 2.037 1.238) 3.084 1.841 ( -0.040 0.390 3.158) 3.182 1.874 ( 1.174 0.818 1.500) 2.073 1.881 ( 0.749 1.163 0.600) 1.508 1.915 ( -1.047 -1.386 0.179) 1.746 1.957 ( -0.277 1.031 0.838) 1.357 1.981 ( 0.342 -2.630 -0.766) 2.761 2.015 ( -0.974 -0.211 -2.835) 3.005 2.023 ( 1.030 -0.470 -0.761) 1.364 2.048 ( -1.267 -0.371 1.445) 1.957 2.091 ( -0.919 -0.083 0.202) 0.944 2.100 ( -0.764 0.725 3.951) 4.089 2.125 ( -0.226 -0.903 1.024) 1.384 2.172 ( 2.006 -1.263 3.058) 3.869 2.225 ( -0.467 -1.901 -2.396) 3.094 2.237 ( 1.172 -2.747 2.573) 3.943 2.311 ( 0.368 -0.112 -1.849) 1.889 2.327 ( -0.302 -0.965 -2.633) 2.820 2.399 ( -1.077 3.413 0.960) 3.705 2.415 ( 0.458 0.868 -0.439) 1.075 2.431 ( 0.813 0.168 -0.983) 1.287 2.495 ( -1.445 4.193 -1.999) 4.865 2.568 ( -0.148 -2.451 1.620) 2.942 2.593 ( 1.132 0.064 4.979) 5.107 2.627 ( 1.025 0.700 -1.025) 1.610 2.651 ( 1.174 -1.365 3.207) 3.678 2.705 ( -0.747 3.476 -1.328) 3.795 2.732 ( -2.059 2.829 -0.192) 3.504 2.805 ( 1.535 2.089 0.295) 2.609 2.877 ( -0.740 -2.982 1.237) 3.312 2.891 ( 0.028 -2.653 0.526) 2.705 2.946 ( 1.864 -1.807 -1.485) 2.991 3.022 ( -3.945 -0.626 2.989) 4.989 3.032 ( -1.940 -1.614 -1.703) 3.045 3.133 ( 3.500 1.571 -4.997) 6.300 3.165 ( -0.981 2.806 -3.745) 4.781 3.175 ( -1.172 2.674 -2.523) 3.858 3.305 ( 1.666 -0.957 0.524) 1.991 3.341 ( 0.957 2.716 2.026) 3.521 3.404 ( -5.514 -1.883 -1.247) 5.959 3.580 ( -4.648 3.029 6.222) 8.337 3.692 ( -3.039 0.193 0.309) 3.061 3.744 ( -3.225 1.186 -3.431) 4.856 3.804 ( -0.932 -0.240 -3.377) 3.512 4.012 ( -0.163 -1.842 2.923) 3.459 4.023 ( 2.475 -0.530 0.487) 2.578 4.099 ( 5.293 -1.907 -1.012) 5.716 4.128 ( 3.527 -3.669 3.509) 6.182 4.261 ( 0.576 1.225 2.671) 2.995 4.318 ( 1.183 -0.487 -0.659) 1.439 4.369 ( 2.624 -1.161 -1.183) 3.104 4.480 ( -0.920 -0.060 -3.943) 4.049 4.503 ( -1.167 -5.415 -1.627) 5.773 4.555 ( 1.558 -1.297 -2.331) 3.089 4.688 ( -3.118 4.363 4.026) 6.706 4.804 ( -4.860 1.041 -0.595) 5.005 5.013 ( 0.742 5.363 -1.576) 5.638 5.039 ( 2.601 2.334 -2.235) 4.148 5.228 ( -3.124 0.122 2.595) 4.063 5.279 ( -3.970 -1.972 0.461) 4.456 6.917 ( 2.816 0.208 -1.777) 3.336 6.960 ( 4.274 -0.270 -3.384) 5.458 7.149 ( 0.652 -1.851 1.069) 2.235 7.186 ( 3.357 -1.996 0.297) 3.917 7.320 ( -1.109 0.437 2.411) 2.689 7.490 ( 3.841 -4.343 -0.801) 5.853 7.627 ( -0.729 1.606 1.116) 2.087 7.734 ( 2.651 -2.151 0.058) 3.415 10.205 ( 0.204 2.522 2.229) 3.372 10.342 ( -0.101 -2.806 -4.618) 5.405 10.749 ( -5.104 -0.254 6.039) 7.910 10.766 ( -5.563 -1.120 4.103) 7.002 10.905 ( 1.479 0.437 4.648) 4.897 10.930 ( 2.261 0.279 6.351) 6.747 11.112 ( -3.230 3.709 -3.192) 5.863 11.197 ( 1.051 1.030 -4.130) 4.384 11.255 ( 3.309 3.298 -2.324) 5.218 11.392 ( 1.369 -2.531 -8.416) 8.895 11.874 ( -1.041 1.192 3.995) 4.297 11.927 ( -2.987 -0.846 1.622) 3.503 12.880 ( 1.590 2.995 2.519) 4.224 12.947 ( 0.712 2.127 -0.607) 2.324 12.978 ( 1.009 1.896 3.130) 3.796 13.079 ( -0.626 -3.571 4.509) 5.785 13.180 ( -0.576 -1.851 -3.882) 4.339 13.223 ( 1.374 -3.546 1.154) 3.974 13.296 ( -0.562 -0.752 -1.459) 1.735 13.314 ( 0.484 -1.892 0.953) 2.173 13.435 ( -0.609 0.093 -0.209) 0.650 13.450 ( -1.581 -0.203 -1.467) 2.166 13.519 ( -0.010 0.143 -0.657) 0.672 13.541 ( -1.983 1.434 2.729) 3.666 13.612 ( -0.298 0.350 2.027) 2.078 13.627 ( 0.192 -1.701 -1.191) 2.086 13.727 ( -0.592 2.190 -2.695) 3.523 13.804 ( 0.227 3.749 -0.449) 3.782 13.844 ( -4.446 -2.556 -4.764) 6.999 13.955 ( -2.627 -0.659 2.554) 3.723 14.034 ( 3.155 4.142 -4.965) 7.195 14.109 ( -5.536 -1.185 -2.199) 6.073 14.993 ( 0.142 -2.454 -0.503) 2.509 15.005 ( 1.695 -1.027 -0.243) 1.996 15.188 ( 0.625 0.594 1.107) 1.403 15.235 ( 1.951 0.440 1.949) 2.793 15.396 ( -1.024 6.723 5.528) 8.764 15.706 ( -3.001 -5.157 -6.917) 9.135 15.915 ( -3.981 3.185 3.445) 6.154 16.032 ( -2.671 -1.910 -3.463) 4.773 ======================= Grid point 101 (38/60) ======================= q-point: ( 0.25 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.672 ( 5.799 3.209 5.727) 8.760 0.731 ( 5.045 4.227 4.416) 7.926 0.890 ( 0.809 -2.832 -2.038) 3.582 0.942 ( 1.481 -0.953 3.175) 3.631 0.957 ( 0.389 -2.150 -2.480) 3.305 1.016 ( 1.739 -2.019 -5.175) 5.820 1.098 ( 4.596 -0.998 -1.678) 4.994 1.174 ( 1.979 1.853 -3.505) 4.431 1.255 ( 0.681 -1.663 -1.756) 2.512 1.258 ( 0.219 -1.085 0.514) 1.221 1.298 ( -0.618 -3.003 -4.889) 5.771 1.331 ( -0.493 0.755 -3.591) 3.703 1.364 ( -0.805 -0.456 2.007) 2.210 1.408 ( -0.144 0.558 2.217) 2.291 1.462 ( -2.125 0.987 -0.713) 2.449 1.484 ( -2.031 0.406 -1.559) 2.592 1.519 ( -0.199 -0.415 -3.319) 3.350 1.555 ( -1.024 3.429 -3.700) 5.147 1.592 ( -0.075 -2.068 -1.774) 2.726 1.613 ( 0.458 2.626 0.550) 2.722 1.671 ( 0.318 0.725 -3.981) 4.059 1.694 ( -0.501 0.938 -3.277) 3.445 1.739 ( -0.501 2.268 0.559) 2.389 1.757 ( -0.762 -1.502 -0.565) 1.777 1.786 ( -0.248 -1.014 1.574) 1.888 1.829 ( -1.817 -0.156 1.481) 2.349 1.857 ( -2.330 -1.957 0.782) 3.142 1.872 ( -0.664 -0.439 -0.863) 1.175 1.914 ( -0.856 -1.526 0.276) 1.771 1.929 ( -0.505 -0.599 -0.525) 0.944 1.982 ( -1.727 -1.958 -1.574) 3.048 2.011 ( -0.564 0.688 0.613) 1.080 2.025 ( 1.653 -0.776 1.554) 2.398 2.064 ( -0.188 1.828 0.824) 2.014 2.081 ( 1.676 0.452 -0.565) 1.825 2.094 ( 1.018 -0.042 1.234) 1.601 2.143 ( 1.433 1.354 -0.113) 1.975 2.203 ( 0.710 -2.066 1.561) 2.685 2.208 ( -0.424 -1.345 -2.777) 3.114 2.245 ( -0.503 -2.829 2.585) 3.865 2.314 ( -0.784 1.444 0.991) 1.919 2.332 ( 0.889 -0.678 -1.918) 2.221 2.373 ( -0.882 2.556 0.882) 2.844 2.424 ( 0.267 1.151 -0.801) 1.427 2.442 ( 0.206 0.327 -0.462) 0.602 2.478 ( -0.185 2.650 -1.844) 3.234 2.546 ( -1.609 1.136 1.370) 2.399 2.620 ( -0.053 2.394 3.529) 4.265 2.624 ( 0.276 0.944 2.515) 2.701 2.671 ( 0.143 1.020 2.285) 2.506 2.714 ( 0.923 -0.825 2.490) 2.781 2.734 ( 3.072 1.514 5.094) 6.138 2.800 ( -0.838 0.642 1.649) 1.958 2.851 ( -1.358 -1.401 4.706) 5.095 2.912 ( 1.071 0.211 0.383) 1.157 2.933 ( -4.098 -1.661 3.852) 5.864 2.973 ( -0.962 -2.716 -0.450) 2.916 3.031 ( 3.180 -3.618 0.956) 4.910 3.123 ( -2.959 2.313 -4.314) 5.720 3.160 ( 0.616 3.542 -5.133) 6.267 3.225 ( 3.550 1.157 -3.465) 5.094 3.297 ( -2.553 -0.163 2.130) 3.329 3.307 ( -2.852 0.327 -2.412) 3.749 3.373 ( 1.091 2.610 -0.543) 2.880 3.522 ( 0.581 -0.164 1.687) 1.792 3.639 ( -2.563 -0.826 -3.184) 4.170 3.689 ( -1.679 2.183 0.044) 2.755 3.782 ( -1.225 -1.429 -3.777) 4.220 4.005 ( -0.320 -3.407 4.331) 5.520 4.055 ( 0.302 -3.890 -1.087) 4.050 4.172 ( 1.960 -1.052 1.201) 2.528 4.210 ( 3.696 -3.755 0.031) 5.269 4.283 ( 1.528 1.018 1.885) 2.632 4.359 ( 2.733 -2.134 -0.554) 3.512 4.415 ( 0.390 0.033 -1.088) 1.157 4.435 ( -4.719 -1.729 0.720) 5.077 4.471 ( 1.093 1.531 1.147) 2.203 4.604 ( 3.116 1.046 -2.273) 3.996 4.644 ( -0.814 6.267 -0.215) 6.323 4.724 ( -2.656 2.564 -0.618) 3.743 5.023 ( 0.086 2.222 0.662) 2.320 5.072 ( 0.489 -0.257 -1.547) 1.643 5.147 ( -4.864 -0.158 0.985) 4.966 5.173 ( -6.453 -1.341 -0.206) 6.595 6.980 ( 3.331 -0.688 -1.226) 3.615 7.029 ( 2.594 -2.148 -3.220) 4.660 7.156 ( -0.039 -0.999 0.744) 1.246 7.260 ( 2.117 -5.461 0.232) 5.861 7.311 ( 1.572 5.851 -0.510) 6.080 7.567 ( 3.201 1.225 0.113) 3.429 7.632 ( 1.716 -1.938 1.731) 3.114 7.790 ( 2.796 -1.902 1.284) 3.617 10.211 ( 0.562 2.266 2.362) 3.321 10.338 ( -0.229 -2.620 -3.869) 4.678 10.629 ( -7.200 -1.086 2.678) 7.758 10.639 ( -6.803 -1.189 3.525) 7.754 10.902 ( -1.159 2.602 2.858) 4.035 10.994 ( 3.037 1.390 4.298) 5.443 11.041 ( -2.668 3.629 -1.689) 4.811 11.228 ( 2.080 -0.949 -3.356) 4.060 11.350 ( 6.058 0.980 -0.719) 6.179 11.439 ( 3.139 -2.904 -4.863) 6.476 11.839 ( -3.399 1.237 2.307) 4.291 11.851 ( -3.626 0.811 1.715) 4.092 12.926 ( 2.333 -0.053 0.409) 2.369 12.965 ( 0.390 0.219 1.222) 1.301 13.001 ( 2.239 -0.903 1.160) 2.678 13.040 ( -2.217 -3.161 0.334) 3.876 13.148 ( -2.089 0.616 -0.572) 2.252 13.231 ( -2.307 -3.535 2.483) 4.898 13.286 ( -1.130 1.156 -2.043) 2.606 13.323 ( 0.905 -0.756 -2.165) 2.465 13.406 ( -0.880 1.573 -0.247) 1.819 13.450 ( -0.190 -0.237 4.178) 4.189 13.498 ( -1.420 2.462 2.535) 3.808 13.504 ( -2.153 2.557 0.552) 3.388 13.583 ( -1.384 -4.215 -3.242) 5.494 13.635 ( 0.389 -1.196 -0.518) 1.360 13.704 ( -0.847 -0.492 -4.611) 4.714 13.760 ( -5.101 -3.501 -2.953) 6.855 13.804 ( -1.782 2.613 -0.826) 3.269 13.873 ( -3.502 -1.589 2.642) 4.666 14.042 ( -0.316 5.041 -2.599) 5.681 14.097 ( 2.720 7.520 -1.381) 8.115 14.996 ( 0.261 -5.462 0.481) 5.490 15.052 ( 2.855 -3.660 -0.998) 4.748 15.211 ( 1.774 0.539 1.488) 2.377 15.264 ( 0.451 0.059 3.638) 3.667 15.392 ( 1.198 3.559 1.470) 4.033 15.621 ( -5.452 -4.842 -5.385) 9.064 15.848 ( -2.562 5.712 4.423) 7.665 15.963 ( -4.162 -0.036 -1.908) 4.579 ======================= Grid point 102 (39/60) ======================= q-point: ( 0.38 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( 5.146 2.007 1.804) 5.810 0.849 ( 6.610 1.644 -0.412) 6.824 0.894 ( -0.309 -0.186 -1.818) 1.853 0.961 ( 0.572 -2.416 -3.672) 4.433 0.978 ( 2.390 2.267 -2.941) 4.416 1.046 ( 1.186 0.289 -5.925) 6.050 1.179 ( 1.020 -2.634 -0.265) 2.837 1.190 ( -0.851 -1.687 -3.094) 3.626 1.229 ( -4.327 0.199 -5.595) 7.076 1.252 ( 1.034 1.001 -0.537) 1.536 1.277 ( 0.849 -2.059 -3.678) 4.300 1.314 ( -0.747 -1.972 -4.166) 4.670 1.369 ( -3.432 0.867 0.892) 3.651 1.390 ( 2.908 0.973 0.317) 3.083 1.445 ( -1.894 3.200 -2.055) 4.249 1.475 ( 0.772 -1.008 -2.332) 2.655 1.526 ( 1.291 -0.650 -0.335) 1.483 1.538 ( -0.456 -1.403 -5.065) 5.275 1.584 ( 0.878 0.467 -0.501) 1.114 1.609 ( -1.301 1.096 -0.054) 1.702 1.639 ( -1.436 2.163 -1.699) 3.103 1.701 ( -0.281 2.289 -1.787) 2.917 1.719 ( -3.372 1.444 -0.378) 3.688 1.734 ( -0.627 -0.256 -1.576) 1.715 1.771 ( -1.230 -2.126 1.649) 2.959 1.781 ( -1.491 0.775 -0.021) 1.680 1.842 ( -0.498 -2.504 -1.001) 2.742 1.853 ( -1.765 -3.138 -0.849) 3.699 1.877 ( 0.090 -0.874 -0.661) 1.099 1.937 ( -0.108 -3.588 -2.934) 4.636 1.978 ( 1.834 -1.341 0.983) 2.475 2.011 ( -0.330 1.601 1.920) 2.522 2.019 ( -0.972 0.645 1.508) 1.906 2.051 ( -0.862 -0.387 -0.643) 1.143 2.099 ( 0.258 1.402 0.104) 1.429 2.144 ( 1.590 0.703 -0.294) 1.763 2.169 ( 0.204 -1.143 -3.100) 3.310 2.190 ( -0.160 -0.555 1.364) 1.481 2.208 ( -0.130 -0.798 -2.020) 2.176 2.246 ( 0.856 -2.811 -1.272) 3.202 2.299 ( 0.360 4.096 4.675) 6.226 2.349 ( 0.616 -0.200 0.188) 0.675 2.375 ( 0.674 2.701 -0.198) 2.791 2.411 ( -2.032 0.682 -1.074) 2.398 2.434 ( -0.527 2.207 0.256) 2.283 2.483 ( 0.503 -0.727 -1.542) 1.778 2.531 ( -0.137 3.885 0.892) 3.988 2.596 ( -1.124 1.504 2.257) 2.935 2.646 ( 0.860 0.612 2.864) 3.053 2.673 ( 0.113 0.715 1.582) 1.740 2.712 ( -0.123 0.462 5.305) 5.327 2.777 ( 1.061 -2.387 5.538) 6.123 2.810 ( -2.276 -1.828 6.098) 6.761 2.854 ( 1.749 0.716 5.058) 5.400 2.882 ( 1.600 -1.840 1.320) 2.772 2.931 ( 1.098 1.892 3.495) 4.123 2.968 ( 1.044 0.947 2.713) 3.057 3.065 ( -2.510 3.141 -4.371) 5.940 3.084 ( 1.211 -2.607 2.478) 3.796 3.143 ( -2.678 4.116 -0.426) 4.929 3.225 ( -4.245 0.480 4.301) 6.062 3.231 ( -2.915 -0.531 3.947) 4.936 3.309 ( 3.692 -2.258 -4.643) 6.347 3.435 ( 4.175 -1.355 -5.861) 7.323 3.576 ( -0.758 -2.099 -4.205) 4.761 3.604 ( 3.707 -3.381 -5.290) 7.291 3.706 ( 3.617 3.536 -1.124) 5.182 3.758 ( -1.158 -0.946 -4.970) 5.190 3.969 ( -3.102 -3.059 2.227) 4.892 4.083 ( 1.630 -2.878 2.674) 4.253 4.132 ( -5.644 0.072 2.326) 6.105 4.253 ( 1.177 -2.874 0.460) 3.139 4.310 ( 0.736 0.868 1.544) 1.918 4.362 ( -1.150 -3.315 1.556) 3.838 4.375 ( -1.851 0.566 0.060) 1.937 4.427 ( 2.375 -2.174 -1.431) 3.523 4.534 ( 3.381 5.323 1.737) 6.540 4.631 ( -0.816 6.269 -0.677) 6.358 4.665 ( 2.932 5.269 -1.328) 6.174 4.723 ( 2.173 -0.660 -1.306) 2.620 5.002 ( -2.891 0.435 1.702) 3.382 5.019 ( -5.885 0.223 0.236) 5.894 5.071 ( -2.304 -1.067 -1.211) 2.813 5.083 ( -1.448 -2.310 -2.067) 3.421 7.038 ( 2.482 -1.454 -0.858) 3.002 7.067 ( 1.437 -2.604 -2.515) 3.895 7.146 ( -0.952 -0.225 0.036) 0.979 7.251 ( -1.246 -3.476 0.347) 3.709 7.376 ( 3.098 5.067 -1.685) 6.173 7.605 ( 1.110 7.427 1.393) 7.637 7.685 ( 2.741 -6.858 1.992) 7.649 7.833 ( 1.527 -1.904 2.654) 3.606 10.235 ( 2.098 1.819 1.679) 3.245 10.336 ( -0.061 -1.229 -2.844) 3.099 10.485 ( -6.699 -2.305 1.107) 7.170 10.520 ( -5.216 -2.162 1.184) 5.769 10.875 ( -1.287 4.596 0.734) 4.829 10.972 ( -1.849 8.268 -1.018) 8.533 11.090 ( 4.148 -3.700 3.229) 6.429 11.263 ( 0.972 -2.636 -0.060) 2.811 11.465 ( 4.313 -0.099 -1.040) 4.437 11.508 ( 4.748 -1.195 -1.803) 5.217 11.740 ( -5.649 1.050 0.932) 5.821 11.807 ( -1.616 0.692 2.274) 2.875 12.925 ( -2.058 -4.299 -0.947) 4.860 12.969 ( 0.683 -4.557 -1.857) 4.968 13.023 ( 0.962 1.203 1.547) 2.183 13.076 ( 2.763 0.146 -0.186) 2.773 13.114 ( -0.606 -0.061 -0.372) 0.714 13.165 ( -2.799 -0.897 -0.249) 2.950 13.250 ( -1.832 1.780 -1.040) 2.758 13.327 ( -0.420 1.261 -1.054) 1.696 13.378 ( -3.201 -0.074 0.166) 3.206 13.406 ( -4.003 5.972 -0.233) 7.193 13.460 ( 1.307 -2.214 5.672) 6.227 13.531 ( 2.662 0.016 0.754) 2.767 13.575 ( -0.994 -1.652 0.060) 1.929 13.633 ( -1.558 -3.056 -2.484) 4.235 13.663 ( -2.020 -1.324 -0.745) 2.527 13.676 ( -2.155 -1.955 -3.424) 4.493 13.751 ( -2.223 1.706 1.234) 3.062 13.859 ( 0.492 -3.599 -2.015) 4.154 14.051 ( 0.677 10.274 -0.603) 10.314 14.145 ( 1.964 9.911 -0.828) 10.138 15.003 ( 0.371 -7.869 1.681) 8.056 15.106 ( 2.492 -6.889 -0.622) 7.352 15.236 ( -0.606 1.480 4.318) 4.605 15.275 ( 2.513 0.818 0.787) 2.757 15.436 ( 2.618 -3.476 -2.162) 4.859 15.510 ( -5.463 -4.242 -4.525) 8.266 15.812 ( -1.311 7.249 3.472) 8.144 15.884 ( -3.439 3.560 0.380) 4.964 ======================= Grid point 103 (40/60) ======================= q-point: (-0.50 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( 0.000 0.508 -1.560) 1.641 0.876 ( 0.000 2.940 -2.249) 3.701 0.943 ( 0.000 -2.426 -4.757) 5.340 0.966 ( 0.000 -0.100 -0.943) 0.948 1.000 ( 0.000 0.592 -5.677) 5.708 1.087 ( 0.000 0.389 -8.512) 8.521 1.124 ( -0.000 2.461 -2.921) 3.820 1.155 ( 0.000 1.233 -3.124) 3.359 1.204 ( 0.000 -2.844 -0.261) 2.856 1.288 ( -0.000 3.034 1.512) 3.390 1.293 ( 0.000 -2.784 -5.353) 6.034 1.312 ( 0.000 -4.822 -1.391) 5.018 1.323 ( 0.000 -1.948 -3.052) 3.621 1.408 ( 0.000 1.945 0.112) 1.948 1.421 ( 0.000 2.318 -2.406) 3.341 1.472 ( 0.000 0.004 -5.312) 5.312 1.533 ( 0.000 0.506 0.160) 0.530 1.571 ( 0.000 -0.830 -1.160) 1.426 1.590 ( 0.000 -1.878 -0.170) 1.885 1.605 ( 0.000 2.943 -2.440) 3.823 1.630 ( 0.000 1.696 -0.032) 1.697 1.653 ( -0.000 0.890 0.462) 1.003 1.700 ( 0.000 0.976 0.405) 1.057 1.732 ( 0.000 4.260 -3.993) 5.839 1.755 ( 0.000 -2.424 2.188) 3.265 1.765 ( 0.000 -0.916 0.298) 0.963 1.799 ( 0.000 -3.566 -1.115) 3.736 1.873 ( 0.000 -2.979 -2.850) 4.123 1.880 ( -0.000 -0.774 -1.171) 1.404 1.938 ( 0.000 -1.414 -1.455) 2.029 1.984 ( 0.000 1.476 2.609) 2.998 2.013 ( -0.000 -1.997 -0.534) 2.067 2.014 ( 0.000 1.789 1.163) 2.134 2.045 ( 0.000 -5.014 -1.398) 5.205 2.104 ( 0.000 1.023 -0.325) 1.074 2.130 ( 0.000 -0.056 -1.869) 1.870 2.154 ( 0.000 0.923 -0.632) 1.119 2.204 ( 0.000 -0.679 1.583) 1.722 2.224 ( 0.000 -1.165 -1.110) 1.609 2.254 ( 0.000 -3.226 -3.457) 4.728 2.334 ( 0.000 4.151 3.717) 5.572 2.339 ( 0.000 2.565 0.610) 2.637 2.366 ( 0.000 3.723 0.063) 3.723 2.395 ( 0.000 0.569 -0.083) 0.575 2.428 ( 0.000 2.016 0.309) 2.039 2.489 ( 0.000 -1.756 -0.497) 1.825 2.527 ( 0.000 4.112 -0.677) 4.168 2.585 ( 0.000 1.238 2.840) 3.098 2.656 ( 0.000 0.850 0.767) 1.145 2.672 ( 0.000 0.833 2.684) 2.810 2.728 ( 0.000 -1.594 7.589) 7.755 2.759 ( 0.000 -1.045 4.103) 4.234 2.800 ( 0.000 -2.362 6.353) 6.778 2.843 ( 0.000 -4.605 -0.541) 4.636 2.931 ( 0.000 3.381 0.741) 3.461 2.945 ( 0.000 3.062 4.921) 5.796 3.023 ( -0.000 1.699 9.271) 9.425 3.029 ( 0.000 6.668 -6.738) 9.479 3.073 ( 0.000 0.539 10.606) 10.620 3.114 ( 0.000 -3.372 2.554) 4.230 3.168 ( 0.000 -1.782 7.182) 7.400 3.186 ( 0.000 3.407 -2.820) 4.423 3.382 ( 0.000 -3.979 -4.703) 6.160 3.441 ( 0.000 -4.327 -6.344) 7.679 3.584 ( 0.000 -1.397 -6.841) 6.982 3.653 ( 0.000 -7.296 -7.615) 10.546 3.728 ( 0.000 1.064 -5.178) 5.287 3.815 ( 0.000 -2.813 -4.957) 5.699 3.944 ( 0.000 5.738 5.232) 7.765 3.963 ( -0.000 3.292 6.312) 7.119 4.151 ( 0.000 -4.694 1.895) 5.062 4.263 ( 0.000 -3.992 1.615) 4.306 4.298 ( 0.000 1.532 1.173) 1.930 4.358 ( 0.000 -3.948 0.873) 4.044 4.362 ( 0.000 1.965 0.804) 2.123 4.455 ( 0.000 -2.548 -1.408) 2.911 4.572 ( 0.000 6.583 0.234) 6.587 4.614 ( 0.000 6.776 0.950) 6.842 4.713 ( 0.000 1.727 -1.322) 2.175 4.750 ( 0.000 0.917 -1.520) 1.775 4.950 ( -0.000 1.099 0.767) 1.340 4.951 ( 0.000 0.830 0.339) 0.896 5.060 ( 0.000 -2.611 -1.899) 3.229 5.064 ( 0.000 -2.616 -1.253) 2.900 7.065 ( 0.000 -1.991 -1.172) 2.310 7.085 ( 0.000 -3.494 -1.902) 3.978 7.129 ( 0.000 1.130 -0.394) 1.197 7.237 ( 0.000 -2.630 0.215) 2.639 7.408 ( 0.000 4.703 -1.580) 4.961 7.616 ( 0.000 8.139 1.907) 8.360 7.714 ( 0.000 -7.336 2.089) 7.628 7.848 ( 0.000 -1.839 3.392) 3.859 10.278 ( -0.000 0.955 -0.154) 0.967 10.324 ( 0.000 2.732 0.626) 2.803 10.413 ( 0.000 -5.016 -1.479) 5.230 10.460 ( 0.000 -3.212 0.433) 3.241 10.861 ( 0.000 5.305 -0.408) 5.320 10.954 ( 0.000 9.383 0.419) 9.392 11.141 ( 0.000 -6.523 0.560) 6.547 11.265 ( 0.000 -2.032 3.616) 4.148 11.501 ( 0.000 0.642 -2.687) 2.763 11.619 ( 0.000 6.043 0.335) 6.053 11.630 ( -0.000 -5.595 -0.334) 5.605 11.791 ( 0.000 -0.137 3.311) 3.313 12.900 ( 0.000 -4.495 -2.052) 4.941 12.981 ( 0.000 -6.803 -1.476) 6.961 13.036 ( 0.000 1.332 0.165) 1.342 13.089 ( 0.000 1.458 -0.995) 1.765 13.092 ( 0.000 0.655 -0.194) 0.683 13.180 ( 0.000 -2.102 -2.442) 3.223 13.231 ( 0.000 1.700 -0.835) 1.894 13.307 ( 0.000 0.494 -0.201) 0.534 13.336 ( 0.000 1.892 0.241) 1.908 13.368 ( 0.000 6.807 1.788) 7.038 13.481 ( 0.000 -3.009 3.740) 4.801 13.541 ( 0.000 0.395 3.762) 3.783 13.585 ( 0.000 -0.713 -1.419) 1.588 13.615 ( 0.000 -1.048 -0.996) 1.446 13.629 ( 0.000 -2.297 1.596) 2.797 13.659 ( 0.000 -4.374 -5.098) 6.717 13.732 ( 0.000 2.100 0.434) 2.144 13.866 ( 0.000 -4.501 -2.964) 5.389 14.058 ( 0.000 12.541 0.229) 12.543 14.166 ( 0.000 10.702 -0.630) 10.720 15.007 ( 0.000 -8.786 2.267) 9.074 15.135 ( 0.000 -9.256 0.565) 9.274 15.221 ( 0.000 3.810 3.164) 4.953 15.322 ( 0.000 0.234 1.360) 1.380 15.435 ( 0.000 -5.183 -5.276) 7.396 15.470 ( 0.000 -6.613 -3.833) 7.643 15.797 ( 0.000 8.211 2.911) 8.712 15.848 ( 0.000 6.015 1.991) 6.336 ======================= Grid point 108 (41/60) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.721 ( 0.000 -9.069 2.577) 9.428 0.721 ( 0.000 9.069 2.577) 9.428 0.739 ( 0.000 -3.837 8.749) 9.554 0.739 ( 0.000 3.837 8.749) 9.554 0.853 ( 0.000 -0.508 -4.788) 4.815 0.853 ( 0.000 0.508 -4.788) 4.815 1.130 ( 0.000 -2.513 -2.214) 3.349 1.130 ( 0.000 2.513 -2.214) 3.349 1.218 ( 0.000 -0.156 -4.251) 4.254 1.218 ( 0.000 0.156 -4.251) 4.254 1.359 ( 0.000 -0.211 4.296) 4.302 1.359 ( 0.000 0.211 4.296) 4.302 1.430 ( 0.000 -0.795 0.108) 0.803 1.430 ( 0.000 0.795 0.108) 0.803 1.484 ( 0.000 -4.862 1.995) 5.256 1.484 ( 0.000 4.862 1.995) 5.256 1.529 ( 0.000 -1.194 0.927) 1.511 1.529 ( 0.000 1.194 0.927) 1.511 1.647 ( 0.000 -0.530 -1.171) 1.286 1.647 ( 0.000 0.530 -1.171) 1.286 1.674 ( 0.000 -1.539 -2.469) 2.909 1.674 ( 0.000 1.539 -2.469) 2.909 1.730 ( 0.000 -0.967 -3.132) 3.278 1.730 ( 0.000 0.967 -3.132) 3.278 1.860 ( 0.000 -0.988 1.275) 1.614 1.860 ( 0.000 0.988 1.275) 1.614 1.879 ( 0.000 -0.153 0.879) 0.892 1.879 ( 0.000 0.153 0.879) 0.892 1.921 ( 0.000 -0.397 0.240) 0.464 1.921 ( 0.000 0.397 0.240) 0.464 1.999 ( 0.000 -0.046 -0.471) 0.473 1.999 ( 0.000 0.046 -0.471) 0.473 2.036 ( 0.000 -0.854 1.105) 1.396 2.036 ( 0.000 0.854 1.105) 1.396 2.100 ( 0.000 -1.313 1.996) 2.389 2.100 ( 0.000 1.313 1.996) 2.389 2.136 ( 0.000 -3.239 3.695) 4.913 2.136 ( 0.000 3.239 3.695) 4.913 2.182 ( 0.000 -2.704 -1.643) 3.164 2.182 ( 0.000 2.704 -1.643) 3.164 2.315 ( 0.000 -0.313 -3.011) 3.027 2.315 ( 0.000 0.313 -3.011) 3.027 2.424 ( 0.000 -0.360 -2.795) 2.818 2.424 ( 0.000 0.360 -2.795) 2.818 2.492 ( 0.000 -4.061 1.478) 4.321 2.492 ( 0.000 4.061 1.478) 4.321 2.572 ( 0.000 -1.541 1.626) 2.240 2.572 ( 0.000 1.541 1.626) 2.240 2.614 ( 0.000 -2.990 1.435) 3.317 2.614 ( 0.000 2.990 1.435) 3.317 2.778 ( 0.000 -2.714 1.530) 3.115 2.778 ( 0.000 2.714 1.530) 3.115 2.817 ( 0.000 -2.821 -1.054) 3.011 2.817 ( 0.000 2.821 -1.054) 3.011 2.895 ( 0.000 -1.697 -5.568) 5.821 2.895 ( 0.000 1.697 -5.568) 5.821 3.059 ( 0.000 -0.379 2.215) 2.247 3.059 ( 0.000 0.379 2.215) 2.247 3.145 ( 0.000 -4.761 1.022) 4.869 3.145 ( 0.000 4.761 1.022) 4.869 3.243 ( 0.000 -0.926 -0.247) 0.958 3.243 ( 0.000 0.926 -0.247) 0.958 3.406 ( 0.000 -3.022 -0.573) 3.076 3.406 ( 0.000 3.022 -0.573) 3.076 3.723 ( 0.000 -3.123 4.761) 5.694 3.723 ( 0.000 3.123 4.761) 5.694 3.809 ( 0.000 -0.446 -3.242) 3.273 3.809 ( 0.000 0.446 -3.242) 3.273 3.974 ( 0.000 -0.537 -3.067) 3.114 3.974 ( 0.000 0.537 -3.067) 3.114 4.038 ( 0.000 -0.527 4.361) 4.393 4.038 ( 0.000 0.527 4.361) 4.393 4.307 ( 0.000 -0.088 -3.116) 3.118 4.307 ( 0.000 0.088 -3.116) 3.118 4.346 ( 0.000 -5.467 1.065) 5.570 4.346 ( 0.000 5.467 1.065) 5.570 4.514 ( 0.000 -1.734 -2.531) 3.068 4.514 ( 0.000 1.734 -2.531) 3.068 4.797 ( 0.000 -4.008 2.177) 4.561 4.797 ( 0.000 4.008 2.177) 4.561 5.092 ( 0.000 -1.078 -4.032) 4.173 5.092 ( 0.000 1.078 -4.032) 4.173 5.265 ( 0.000 -1.875 1.635) 2.488 5.265 ( 0.000 1.875 1.635) 2.488 6.911 ( 0.000 -0.720 -2.322) 2.432 6.911 ( 0.000 0.720 -2.322) 2.432 7.115 ( 0.000 -0.738 1.525) 1.694 7.115 ( 0.000 0.738 1.525) 1.694 7.356 ( 0.000 -2.842 0.325) 2.861 7.356 ( 0.000 2.842 0.325) 2.861 7.667 ( 0.000 -0.977 1.167) 1.522 7.667 ( 0.000 0.977 1.167) 1.522 10.271 ( 0.000 -3.834 -1.117) 3.993 10.271 ( 0.000 3.834 -1.117) 3.993 10.822 ( 0.000 -1.141 7.027) 7.119 10.822 ( 0.000 1.141 7.027) 7.119 10.878 ( 0.000 -1.469 4.204) 4.453 10.878 ( 0.000 1.469 4.204) 4.453 11.198 ( 0.000 -1.391 -1.818) 2.289 11.198 ( 0.000 1.391 -1.818) 2.289 11.317 ( 0.000 -4.097 -7.599) 8.633 11.317 ( 0.000 4.097 -7.599) 8.633 11.916 ( 0.000 -1.979 3.074) 3.656 11.916 ( 0.000 1.979 3.074) 3.656 12.971 ( 0.000 -4.814 3.303) 5.838 12.971 ( 0.000 4.814 3.303) 5.838 13.005 ( 0.000 -1.872 1.867) 2.644 13.005 ( 0.000 1.872 1.867) 2.644 13.152 ( 0.000 -3.561 0.896) 3.672 13.152 ( 0.000 3.561 0.896) 3.672 13.287 ( 0.000 -0.631 -1.472) 1.601 13.287 ( 0.000 0.631 -1.472) 1.601 13.451 ( 0.000 -1.579 -2.773) 3.191 13.451 ( 0.000 1.579 -2.773) 3.191 13.556 ( 0.000 -1.830 -2.049) 2.747 13.556 ( 0.000 1.830 -2.049) 2.747 13.569 ( 0.000 -3.330 0.343) 3.347 13.569 ( 0.000 3.330 0.343) 3.347 13.864 ( 0.000 -3.232 1.601) 3.606 13.864 ( 0.000 3.232 1.601) 3.606 13.901 ( 0.000 -1.818 3.317) 3.783 13.901 ( 0.000 1.818 3.317) 3.783 14.077 ( 0.000 -5.732 -5.483) 7.932 14.077 ( 0.000 5.732 -5.483) 7.932 14.984 ( 0.000 -0.243 -1.283) 1.306 14.984 ( 0.000 0.243 -1.283) 1.306 15.205 ( 0.000 -1.528 3.140) 3.492 15.205 ( 0.000 1.528 3.140) 3.492 15.587 ( 0.000 -8.959 -2.783) 9.382 15.587 ( 0.000 8.959 -2.783) 9.382 16.004 ( 0.000 -2.620 -2.321) 3.500 16.004 ( 0.000 2.620 -2.321) 3.500 ======================= Grid point 110 (42/60) ======================= q-point: ( 0.12 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( 1.152 -8.525 3.612) 9.330 0.729 ( 1.152 8.525 3.612) 9.330 0.783 ( 3.585 -6.425 4.620) 8.687 0.783 ( 3.585 6.425 4.620) 8.687 0.892 ( 3.746 -1.461 -3.259) 5.176 0.892 ( 3.746 1.461 -3.259) 5.176 1.132 ( 0.419 -3.701 -2.769) 4.641 1.132 ( 0.419 3.701 -2.769) 4.641 1.236 ( 1.387 -1.306 -5.244) 5.579 1.236 ( 1.387 1.306 -5.244) 5.579 1.296 ( -3.358 -1.496 3.900) 5.359 1.296 ( -3.358 1.496 3.900) 5.359 1.443 ( -1.000 -1.925 0.335) 2.195 1.443 ( -1.000 1.925 0.335) 2.195 1.486 ( -0.542 -3.374 1.228) 3.631 1.486 ( -0.542 3.374 1.228) 3.631 1.544 ( 1.811 -1.846 -0.979) 2.765 1.544 ( 1.811 1.846 -0.979) 2.765 1.635 ( -1.113 -0.759 -1.738) 2.199 1.635 ( -1.113 0.759 -1.738) 2.199 1.675 ( 0.182 -2.936 -2.909) 4.137 1.675 ( 0.182 2.936 -2.909) 4.137 1.739 ( 0.838 -2.051 -0.812) 2.360 1.739 ( 0.838 2.051 -0.812) 2.360 1.852 ( -1.708 -0.826 0.189) 1.907 1.852 ( -1.708 0.826 0.189) 1.907 1.875 ( -0.087 -1.582 2.028) 2.573 1.875 ( -0.087 1.582 2.028) 2.573 1.919 ( 0.003 -1.925 -0.955) 2.149 1.919 ( 0.003 1.925 -0.955) 2.149 2.002 ( -1.318 -1.533 -0.688) 2.135 2.002 ( -1.318 1.533 -0.688) 2.135 2.026 ( 1.081 -1.288 1.552) 2.289 2.026 ( 1.081 1.288 1.552) 2.289 2.088 ( -0.629 -0.630 0.308) 0.941 2.088 ( -0.629 0.630 0.308) 0.941 2.155 ( 1.217 -3.713 4.708) 6.118 2.155 ( 1.217 3.713 4.708) 6.118 2.188 ( 0.488 -1.894 -1.350) 2.377 2.188 ( 0.488 1.894 -1.350) 2.377 2.315 ( 0.091 -0.468 -2.686) 2.728 2.315 ( 0.091 0.468 -2.686) 2.728 2.425 ( 0.151 -0.430 -2.494) 2.535 2.425 ( 0.151 0.430 -2.494) 2.535 2.490 ( -0.316 -4.424 1.944) 4.843 2.490 ( -0.316 4.424 1.944) 4.843 2.584 ( 0.370 -2.721 1.795) 3.280 2.584 ( 0.370 2.721 1.795) 3.280 2.623 ( 1.827 -0.501 2.920) 3.480 2.623 ( 1.827 0.501 2.920) 3.480 2.771 ( -1.236 -1.278 -0.739) 1.925 2.771 ( -1.236 1.278 -0.739) 1.925 2.814 ( 0.562 -1.404 2.040) 2.539 2.814 ( 0.562 1.404 2.040) 2.539 2.905 ( 0.484 -2.232 -2.369) 3.290 2.905 ( 0.484 2.232 -2.369) 3.290 3.010 ( -3.802 -0.109 0.972) 3.926 3.010 ( -3.802 0.109 0.972) 3.926 3.177 ( 1.557 -2.533 -0.812) 3.083 3.177 ( 1.557 2.533 -0.812) 3.083 3.235 ( 0.058 -3.845 -0.961) 3.964 3.235 ( 0.058 3.845 -0.961) 3.964 3.392 ( -1.053 -0.593 -1.246) 1.736 3.392 ( -1.053 0.593 -1.246) 1.736 3.665 ( -5.283 -4.104 2.836) 7.266 3.665 ( -5.283 4.104 2.836) 7.266 3.779 ( -2.131 -2.135 -0.963) 3.167 3.779 ( -2.131 2.135 -0.963) 3.167 3.980 ( 0.558 -1.778 -1.437) 2.353 3.980 ( 0.558 1.778 -1.437) 2.353 4.091 ( 4.057 -0.829 2.322) 4.748 4.091 ( 4.057 0.829 2.322) 4.748 4.292 ( -0.007 -1.799 -0.813) 1.975 4.292 ( -0.007 1.799 -0.813) 1.975 4.400 ( 3.469 -3.367 -1.426) 5.040 4.400 ( 3.469 3.367 -1.426) 5.040 4.508 ( -0.227 -2.345 -0.752) 2.473 4.508 ( -0.227 2.345 -0.752) 2.473 4.776 ( -1.863 -3.448 0.607) 3.966 4.776 ( -1.863 3.448 0.607) 3.966 5.085 ( -0.622 -0.214 -2.582) 2.665 5.085 ( -0.622 0.214 -2.582) 2.665 5.233 ( -3.218 -1.558 1.136) 3.751 5.233 ( -3.218 1.558 1.136) 3.751 6.938 ( 2.338 -1.563 -2.249) 3.601 6.938 ( 2.338 1.563 -2.249) 3.601 7.140 ( 2.024 -1.299 1.175) 2.677 7.140 ( 2.024 1.299 1.175) 2.677 7.381 ( 2.499 -4.996 0.041) 5.586 7.381 ( 2.499 4.996 0.041) 5.586 7.682 ( 1.445 -2.938 1.220) 3.494 7.682 ( 1.445 2.938 1.220) 3.494 10.272 ( -0.006 -3.741 -0.855) 3.837 10.272 ( -0.006 3.741 -0.855) 3.837 10.750 ( -5.626 -0.380 4.650) 7.309 10.750 ( -5.626 0.380 4.650) 7.309 10.921 ( 2.589 -0.919 6.041) 6.637 10.921 ( 2.589 0.919 6.041) 6.637 11.184 ( -1.370 -2.564 -3.430) 4.496 11.184 ( -1.370 2.564 -3.430) 4.496 11.329 ( 1.560 -3.557 -5.569) 6.790 11.329 ( 1.560 3.557 -5.569) 6.790 11.903 ( -1.415 -1.441 2.723) 3.390 11.903 ( -1.415 1.441 2.723) 3.390 12.949 ( -0.369 -2.923 2.624) 3.946 12.949 ( -0.369 2.923 2.624) 3.946 13.021 ( -1.003 -2.052 -0.050) 2.285 13.021 ( -1.003 2.052 -0.050) 2.285 13.160 ( 1.647 -1.421 2.489) 3.305 13.160 ( 1.647 1.421 2.489) 3.305 13.293 ( 0.188 -0.545 -1.781) 1.872 13.293 ( 0.188 0.545 -1.781) 1.872 13.443 ( -0.446 -0.655 -1.016) 1.289 13.443 ( -0.446 0.655 -1.016) 1.289 13.534 ( -0.916 -1.767 -1.078) 2.263 13.534 ( -0.916 1.767 -1.078) 2.263 13.605 ( 1.591 -0.947 -0.482) 1.913 13.605 ( 1.591 0.947 -0.482) 1.913 13.785 ( -5.594 -3.363 -1.755) 6.759 13.785 ( -5.594 3.363 -1.755) 6.759 13.909 ( -1.651 -4.403 3.370) 5.785 13.909 ( -1.651 4.403 3.370) 5.785 14.086 ( 1.752 -1.476 -2.453) 3.357 14.086 ( 1.752 1.476 -2.453) 3.357 14.976 ( -0.720 -1.140 -1.694) 2.165 14.976 ( -0.720 1.140 -1.694) 2.165 15.215 ( 0.978 -1.814 3.022) 3.658 15.215 ( 0.978 1.814 3.022) 3.658 15.564 ( -2.279 -8.473 -3.141) 9.320 15.564 ( -2.279 8.473 -3.141) 9.320 15.981 ( -2.095 -3.031 -0.817) 3.774 15.981 ( -2.095 3.031 -0.817) 3.774 ======================= Grid point 112 (43/60) ======================= q-point: ( 0.25 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.769 ( 2.877 -4.790 1.674) 5.832 0.769 ( 2.877 4.790 1.674) 5.832 0.855 ( 3.567 -4.902 0.980) 6.141 0.855 ( 3.567 4.902 0.980) 6.141 0.971 ( 3.754 -1.897 -2.179) 4.737 0.971 ( 3.754 1.897 -2.179) 4.737 1.154 ( 1.492 -5.191 -2.654) 6.018 1.154 ( 1.492 5.191 -2.654) 6.018 1.224 ( -1.252 -2.416 -4.441) 5.208 1.224 ( -1.252 2.416 -4.441) 5.208 1.306 ( 2.655 -1.988 -0.258) 3.327 1.306 ( 2.655 1.988 -0.258) 3.327 1.397 ( -2.643 -2.320 -0.508) 3.554 1.397 ( -2.643 2.320 -0.508) 3.554 1.459 ( -1.780 -3.335 0.924) 3.892 1.459 ( -1.780 3.335 0.924) 3.892 1.567 ( -0.691 -2.725 -2.002) 3.451 1.567 ( -0.691 2.725 -2.002) 3.451 1.618 ( 0.100 -2.839 -4.296) 5.150 1.618 ( 0.100 2.839 -4.296) 5.150 1.677 ( -0.041 -2.385 -0.110) 2.388 1.677 ( -0.041 2.385 -0.110) 2.388 1.751 ( 0.038 -2.758 -1.081) 2.963 1.751 ( 0.038 2.758 -1.081) 2.963 1.807 ( -2.406 -1.704 0.441) 2.981 1.807 ( -2.406 1.704 0.441) 2.981 1.859 ( -1.438 -2.858 -0.288) 3.212 1.859 ( -1.438 2.858 -0.288) 3.212 1.895 ( -2.368 -1.031 -1.456) 2.965 1.895 ( -2.368 1.031 -1.456) 2.965 1.985 ( -0.375 -1.589 -0.917) 1.873 1.985 ( -0.375 1.589 -0.917) 1.873 2.065 ( 1.890 -2.534 2.233) 3.870 2.065 ( 1.890 2.534 2.233) 3.870 2.088 ( 0.996 -0.347 -0.147) 1.064 2.088 ( 0.996 0.347 -0.147) 1.064 2.174 ( 0.767 -1.691 0.186) 1.866 2.174 ( 0.767 1.691 0.186) 1.866 2.194 ( 0.161 -0.788 1.703) 1.883 2.194 ( 0.161 0.788 1.703) 1.883 2.325 ( 0.964 -0.429 -1.576) 1.897 2.325 ( 0.964 0.429 -1.576) 1.897 2.430 ( 0.112 -0.254 -0.472) 0.548 2.430 ( 0.112 0.254 -0.472) 0.548 2.474 ( -1.170 -3.906 1.543) 4.360 2.474 ( -1.170 3.906 1.543) 4.360 2.585 ( 0.035 -3.797 2.805) 4.721 2.585 ( 0.035 3.797 2.805) 4.721 2.666 ( 1.232 -1.593 4.846) 5.248 2.666 ( 1.232 1.593 4.846) 5.248 2.739 ( -0.895 -1.671 0.583) 1.983 2.739 ( -0.895 1.671 0.583) 1.983 2.846 ( 1.091 -1.921 3.218) 3.903 2.846 ( 1.091 1.921 3.218) 3.903 2.902 ( -0.075 -2.085 3.713) 4.259 2.902 ( -0.075 2.085 3.713) 4.259 2.947 ( -1.510 -2.329 -2.325) 3.621 2.947 ( -1.510 2.329 -2.325) 3.621 3.177 ( -0.334 -1.783 -2.545) 3.126 3.177 ( -0.334 1.783 -2.545) 3.126 3.266 ( 1.171 -2.530 2.093) 3.487 3.266 ( 1.171 2.530 2.093) 3.487 3.371 ( -1.262 -3.723 -5.532) 6.786 3.371 ( -1.262 3.723 -5.532) 6.786 3.566 ( -3.465 -4.896 -0.717) 6.041 3.566 ( -3.465 4.896 -0.717) 6.041 3.742 ( -1.355 -2.398 -0.168) 2.760 3.742 ( -1.355 2.398 -0.168) 2.760 3.987 ( 0.150 -2.543 1.491) 2.952 3.987 ( 0.150 2.543 1.491) 2.952 4.160 ( 2.552 -0.534 -0.018) 2.607 4.160 ( 2.552 0.534 -0.018) 2.607 4.312 ( 1.597 -1.962 1.249) 2.821 4.312 ( 1.597 1.962 1.249) 2.821 4.417 ( -1.825 -0.284 -2.194) 2.868 4.417 ( -1.825 0.284 -2.194) 2.868 4.551 ( 4.755 -4.656 1.478) 6.817 4.551 ( 4.755 4.656 1.478) 6.817 4.740 ( -1.445 -2.151 -1.763) 3.134 4.740 ( -1.445 2.151 -1.763) 3.134 5.066 ( -1.440 -1.121 -0.653) 1.938 5.066 ( -1.440 1.121 -0.653) 1.938 5.145 ( -5.469 -0.697 0.097) 5.514 5.145 ( -5.469 0.697 0.097) 5.514 6.987 ( 2.483 -1.452 -1.796) 3.392 6.987 ( 2.483 1.452 -1.796) 3.392 7.171 ( 0.806 -2.685 0.629) 2.873 7.171 ( 0.806 2.685 0.629) 2.873 7.449 ( 4.127 -7.279 -0.359) 8.375 7.449 ( 4.127 7.279 -0.359) 8.375 7.718 ( 2.000 -4.917 1.625) 5.551 7.718 ( 2.000 4.917 1.625) 5.551 10.272 ( 0.183 -3.495 -0.494) 3.534 10.272 ( 0.183 3.495 -0.494) 3.534 10.621 ( -7.334 -0.394 2.607) 7.794 10.621 ( -7.334 0.394 2.607) 7.794 10.964 ( 1.722 -2.949 5.236) 6.251 10.964 ( 1.722 2.949 5.236) 6.251 11.156 ( -1.020 -5.715 -3.466) 6.761 11.156 ( -1.020 5.715 -3.466) 6.761 11.386 ( 4.208 -2.224 -3.002) 5.627 11.386 ( 4.208 2.224 -3.002) 5.627 11.858 ( -3.156 -0.348 2.059) 3.784 11.858 ( -3.156 0.348 2.059) 3.784 12.938 ( -2.091 -1.546 -0.221) 2.610 12.938 ( -2.091 1.546 -0.221) 2.610 13.007 ( 1.675 -0.987 0.183) 1.953 13.007 ( 1.675 0.987 0.183) 1.953 13.171 ( -1.450 -1.998 2.090) 3.235 13.171 ( -1.450 1.998 2.090) 3.235 13.307 ( 1.362 -0.870 -1.926) 2.514 13.307 ( 1.362 0.870 -1.926) 2.514 13.431 ( -1.514 -1.189 2.416) 3.089 13.431 ( -1.514 1.189 2.416) 3.089 13.522 ( -0.038 -1.092 -0.059) 1.094 13.522 ( -0.038 1.092 -0.059) 1.094 13.597 ( -2.422 -3.154 -1.556) 4.270 13.597 ( -2.422 3.154 -1.556) 4.270 13.700 ( -2.505 -1.076 -4.328) 5.115 13.700 ( -2.505 1.076 -4.328) 5.115 13.844 ( -3.868 -1.414 1.596) 4.417 13.844 ( -3.868 1.414 1.596) 4.417 14.151 ( 4.322 -3.160 2.355) 5.849 14.151 ( 4.322 3.160 2.355) 5.849 14.960 ( -0.863 -3.005 -2.670) 4.111 14.960 ( -0.863 3.005 -2.670) 4.111 15.240 ( 1.517 -1.856 2.640) 3.566 15.240 ( 1.517 1.856 2.640) 3.566 15.505 ( -3.531 -6.415 -3.770) 8.236 15.505 ( -3.531 6.415 -3.770) 8.236 15.938 ( -2.021 -2.785 1.547) 3.773 15.938 ( -2.021 2.785 1.547) 3.773 ======================= Grid point 114 (44/60) ======================= q-point: ( 0.38 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( 3.343 -2.501 -1.101) 4.318 0.832 ( 3.343 2.501 -1.101) 4.318 0.920 ( 2.687 -1.907 -1.513) 3.626 0.920 ( 2.687 1.907 -1.513) 3.626 1.034 ( 2.835 -2.107 -5.131) 6.229 1.034 ( 2.835 2.107 -5.131) 6.229 1.155 ( -0.784 -1.065 -1.286) 1.844 1.155 ( -0.784 1.065 -1.286) 1.844 1.235 ( 0.494 -1.254 -6.664) 6.799 1.235 ( 0.494 1.254 -6.664) 6.799 1.284 ( -2.374 -1.507 -0.867) 2.942 1.284 ( -2.374 1.507 -0.867) 2.942 1.404 ( -0.543 -2.048 0.692) 2.229 1.404 ( -0.543 2.048 0.692) 2.229 1.441 ( 1.364 -0.713 -0.052) 1.540 1.441 ( 1.364 0.713 -0.052) 1.540 1.533 ( -1.096 -2.038 -2.802) 3.634 1.533 ( -1.096 2.038 -2.802) 3.634 1.623 ( 0.089 -2.753 -0.808) 2.871 1.623 ( 0.089 2.753 -0.808) 2.871 1.675 ( -0.189 -1.240 0.116) 1.260 1.675 ( -0.189 1.240 0.116) 1.260 1.728 ( -2.990 -0.214 -0.453) 3.032 1.728 ( -2.990 0.214 -0.453) 3.032 1.772 ( -1.003 -2.238 -1.076) 2.678 1.772 ( -1.003 2.238 -1.076) 2.678 1.832 ( -0.871 -0.839 -1.999) 2.337 1.832 ( -0.871 0.839 -1.999) 2.337 1.869 ( 0.317 -1.305 -3.283) 3.547 1.869 ( 0.317 1.305 -3.283) 3.547 1.981 ( 0.220 -1.667 -0.484) 1.750 1.981 ( 0.220 1.667 -0.484) 1.750 2.051 ( -2.236 -1.256 1.796) 3.131 2.051 ( -2.236 1.256 1.796) 3.131 2.130 ( 1.124 -1.582 -0.283) 1.961 2.130 ( 1.124 1.582 -0.283) 1.961 2.175 ( 0.074 -1.763 -2.288) 2.890 2.175 ( 0.074 1.763 -2.288) 2.890 2.207 ( 0.741 -1.271 0.523) 1.561 2.207 ( 0.741 1.271 0.523) 1.561 2.350 ( 1.524 -0.856 1.194) 2.117 2.350 ( 1.524 0.856 1.194) 2.117 2.424 ( -0.390 -1.931 2.756) 3.388 2.424 ( -0.390 1.931 2.756) 3.388 2.459 ( -0.414 -2.107 -0.227) 2.159 2.459 ( -0.414 2.107 -0.227) 2.159 2.583 ( -0.411 -2.162 3.410) 4.059 2.583 ( -0.411 2.162 3.410) 4.059 2.671 ( 0.661 -1.276 2.926) 3.260 2.671 ( 0.661 1.276 2.926) 3.260 2.742 ( -0.026 -1.976 3.290) 3.838 2.742 ( -0.026 1.976 3.290) 3.838 2.801 ( -3.378 -1.913 2.719) 4.739 2.801 ( -3.378 1.913 2.719) 4.739 2.956 ( 2.887 -4.769 1.529) 5.781 2.956 ( 2.887 4.769 1.529) 5.781 2.966 ( 3.853 -2.722 4.646) 6.621 2.966 ( 3.853 2.722 4.646) 6.621 3.171 ( -1.471 -3.097 1.777) 3.861 3.171 ( -1.471 3.097 1.777) 3.861 3.243 ( -1.882 -2.760 3.290) 4.688 3.243 ( -1.882 2.760 3.290) 4.688 3.328 ( -3.041 -7.907 -7.437) 11.273 3.328 ( -3.041 7.907 -7.437) 11.273 3.562 ( 1.851 -1.525 -6.323) 6.762 3.562 ( 1.851 1.525 -6.323) 6.762 3.736 ( 0.652 -0.729 -3.797) 3.920 3.736 ( 0.652 0.729 -3.797) 3.920 4.001 ( 1.878 -4.348 5.013) 6.896 4.001 ( 1.878 4.348 5.013) 6.896 4.171 ( -1.891 -3.924 0.643) 4.403 4.171 ( -1.891 3.924 0.643) 4.403 4.325 ( -0.510 -0.935 1.942) 2.215 4.325 ( -0.510 0.935 1.942) 2.215 4.393 ( 0.385 -1.238 -0.966) 1.617 4.393 ( 0.385 1.238 -0.966) 1.617 4.648 ( 4.401 -4.718 0.534) 6.475 4.648 ( 4.401 4.718 0.534) 6.475 4.726 ( -0.166 -0.370 -2.289) 2.324 4.726 ( -0.166 0.370 -2.289) 2.324 5.026 ( -2.712 -1.729 -0.013) 3.216 5.026 ( -2.712 1.729 -0.013) 3.216 5.043 ( -4.152 -1.098 -0.784) 4.366 5.043 ( -4.152 1.098 -0.784) 4.366 7.028 ( 1.649 -0.802 -1.481) 2.357 7.028 ( 1.649 0.802 -1.481) 2.357 7.173 ( -0.376 -2.863 0.221) 2.896 7.173 ( -0.376 2.863 0.221) 2.896 7.522 ( 2.996 -7.949 -0.226) 8.498 7.522 ( 2.996 7.949 -0.226) 8.498 7.751 ( 1.289 -5.866 2.393) 6.465 7.751 ( 1.289 5.866 2.393) 6.465 10.287 ( 1.570 -3.030 -0.578) 3.461 10.287 ( 1.570 3.030 -0.578) 3.461 10.479 ( -6.846 -1.407 0.919) 7.049 10.479 ( -6.846 1.407 0.919) 7.049 10.988 ( 0.819 -5.904 1.743) 6.210 10.988 ( 0.819 5.904 1.743) 6.210 11.148 ( 0.025 -8.141 0.379) 8.149 11.148 ( 0.025 8.141 0.379) 8.149 11.480 ( 4.922 -1.338 -1.938) 5.456 11.480 ( 4.922 1.338 -1.938) 5.456 11.786 ( -3.859 -2.384 1.927) 4.928 11.786 ( -3.859 2.384 1.927) 4.928 12.893 ( -1.836 -1.493 -2.154) 3.200 12.893 ( -1.836 1.493 -2.154) 3.200 13.059 ( 2.259 -1.774 0.980) 3.035 13.059 ( 2.259 1.774 0.980) 3.035 13.134 ( -1.197 -1.690 -0.839) 2.235 13.134 ( -1.197 1.690 -0.839) 2.235 13.306 ( -1.989 -3.100 -1.532) 3.989 13.306 ( -1.989 3.100 -1.532) 3.989 13.397 ( -0.563 -2.803 2.604) 3.867 13.397 ( -0.563 2.803 2.604) 3.867 13.528 ( -1.322 -3.078 0.349) 3.368 13.528 ( -1.322 3.078 0.349) 3.368 13.560 ( 0.669 -2.758 -0.380) 2.863 13.560 ( 0.669 2.758 -0.380) 2.863 13.654 ( -2.707 -0.423 -2.124) 3.467 13.654 ( -2.707 0.423 -2.124) 3.467 13.794 ( -1.122 -2.668 -0.646) 2.966 13.794 ( -1.122 2.668 -0.646) 2.966 14.230 ( 3.262 -4.212 4.747) 7.136 14.230 ( 3.262 4.212 4.747) 7.136 14.946 ( -0.513 -4.879 -3.652) 6.116 14.946 ( -0.513 4.879 -3.652) 6.116 15.271 ( 1.643 -1.379 2.135) 3.027 15.271 ( 1.643 1.379 2.135) 3.027 15.437 ( -3.200 -2.949 -4.274) 6.100 15.437 ( -3.200 2.949 -4.274) 6.100 15.907 ( -1.052 -1.758 2.916) 3.563 15.907 ( -1.052 1.758 2.916) 3.563 ======================= Grid point 116 (45/60) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( 0.000 -2.375 -3.836) 4.511 0.877 ( 0.000 2.375 -3.836) 4.511 0.939 ( 0.000 -2.586 -1.499) 2.989 0.939 ( 0.000 2.586 -1.499) 2.989 1.073 ( 0.000 -3.708 -8.435) 9.214 1.073 ( 0.000 3.708 -8.435) 9.214 1.160 ( 0.000 -0.812 -2.555) 2.680 1.160 ( 0.000 0.812 -2.555) 2.680 1.188 ( -0.000 -3.527 -1.287) 3.754 1.188 ( 0.000 3.527 -1.287) 3.754 1.299 ( 0.000 -0.702 -3.221) 3.297 1.299 ( 0.000 0.702 -3.221) 3.297 1.378 ( 0.000 -5.450 1.074) 5.555 1.378 ( 0.000 5.450 1.074) 5.555 1.443 ( 0.000 -0.478 -2.634) 2.677 1.443 ( 0.000 0.478 -2.634) 2.677 1.554 ( 0.000 -1.476 0.066) 1.477 1.554 ( 0.000 1.476 0.066) 1.477 1.623 ( 0.000 -3.426 -0.219) 3.433 1.623 ( 0.000 3.426 -0.219) 3.433 1.668 ( 0.000 -2.631 0.114) 2.633 1.668 ( 0.000 2.631 0.114) 2.633 1.686 ( 0.000 -3.361 1.663) 3.750 1.686 ( 0.000 3.361 1.663) 3.750 1.754 ( 0.000 -0.895 -2.558) 2.710 1.754 ( 0.000 0.895 -2.558) 2.710 1.829 ( 0.000 -4.210 -3.701) 5.606 1.829 ( 0.000 4.210 -3.701) 5.606 1.884 ( 0.000 -3.200 -3.522) 4.758 1.884 ( 0.000 3.200 -3.522) 4.758 1.996 ( 0.000 -0.613 -1.189) 1.338 1.996 ( 0.000 0.613 -1.189) 1.338 2.010 ( 0.000 -1.044 2.260) 2.490 2.010 ( 0.000 1.044 2.260) 2.490 2.125 ( 0.000 -0.801 -1.411) 1.623 2.125 ( 0.000 0.801 -1.411) 1.623 2.189 ( 0.000 -2.086 -0.802) 2.235 2.189 ( 0.000 2.086 -0.802) 2.235 2.210 ( 0.000 -1.500 -1.037) 1.823 2.210 ( 0.000 1.500 -1.037) 1.823 2.370 ( 0.000 -1.588 1.726) 2.345 2.370 ( 0.000 1.588 1.726) 2.345 2.421 ( 0.000 -3.129 3.726) 4.866 2.421 ( 0.000 3.129 3.726) 4.866 2.454 ( 0.000 -2.849 -0.097) 2.851 2.454 ( 0.000 2.849 -0.097) 2.851 2.576 ( 0.000 -1.379 3.601) 3.856 2.576 ( 0.000 1.379 3.601) 3.856 2.697 ( 0.000 -1.501 5.407) 5.612 2.697 ( 0.000 1.501 5.407) 5.612 2.721 ( -0.000 -5.342 -1.094) 5.453 2.721 ( 0.000 5.342 -1.094) 5.453 2.766 ( 0.000 -1.656 3.163) 3.570 2.766 ( 0.000 1.656 3.163) 3.570 2.986 ( 0.000 -0.953 1.360) 1.661 2.986 ( 0.000 0.953 1.360) 1.661 3.045 ( 0.000 -2.381 8.078) 8.422 3.045 ( 0.000 2.381 8.078) 8.422 3.108 ( 0.000 -3.042 8.856) 9.364 3.108 ( 0.000 3.042 8.856) 9.364 3.247 ( 0.000 -11.971 -5.162) 13.036 3.247 ( 0.000 11.971 -5.162) 13.036 3.281 ( 0.000 -5.528 -4.289) 6.997 3.281 ( 0.000 5.528 -4.289) 6.997 3.584 ( 0.000 -1.017 -9.031) 9.088 3.584 ( 0.000 1.017 -9.031) 9.088 3.748 ( 0.000 -2.117 -5.413) 5.812 3.748 ( 0.000 2.117 -5.413) 5.812 4.049 ( 0.000 -4.999 4.772) 6.911 4.049 ( 0.000 4.999 4.772) 6.911 4.118 ( 0.000 -9.174 4.340) 10.149 4.118 ( -0.000 9.174 4.340) 10.149 4.319 ( 0.000 -0.852 0.476) 0.976 4.319 ( 0.000 0.852 0.476) 0.976 4.404 ( 0.000 -2.282 -0.170) 2.288 4.404 ( 0.000 2.282 -0.170) 2.288 4.707 ( -0.000 -5.163 -1.100) 5.279 4.707 ( 0.000 5.163 -1.100) 5.279 4.714 ( 0.000 -2.589 -1.146) 2.831 4.714 ( -0.000 2.589 -1.146) 2.831 4.996 ( 0.000 -3.450 -0.292) 3.463 4.996 ( -0.000 3.450 -0.292) 3.463 4.997 ( 0.000 -3.209 -0.733) 3.291 4.997 ( 0.000 3.209 -0.733) 3.291 7.046 ( 0.000 -0.444 -1.447) 1.513 7.046 ( 0.000 0.444 -1.447) 1.513 7.167 ( 0.000 -2.867 0.084) 2.869 7.167 ( 0.000 2.867 0.084) 2.869 7.553 ( 0.000 -8.116 -0.050) 8.117 7.553 ( 0.000 8.116 -0.050) 8.117 7.764 ( 0.000 -6.084 2.813) 6.703 7.764 ( 0.000 6.084 2.813) 6.703 10.323 ( -0.000 -3.486 -1.084) 3.650 10.323 ( 0.000 3.486 -1.084) 3.650 10.388 ( 0.000 -3.528 0.598) 3.579 10.388 ( 0.000 3.528 0.598) 3.579 10.996 ( 0.000 -7.369 -0.222) 7.373 10.996 ( 0.000 7.369 -0.222) 7.373 11.150 ( 0.000 -8.779 2.674) 9.177 11.150 ( 0.000 8.779 2.674) 9.177 11.541 ( 0.000 -3.146 -2.120) 3.794 11.541 ( 0.000 3.146 -2.120) 3.794 11.737 ( 0.000 -4.841 2.509) 5.453 11.737 ( 0.000 4.841 2.509) 5.453 12.875 ( 0.000 -2.339 -2.633) 3.522 12.875 ( 0.000 2.339 -2.633) 3.522 13.072 ( 0.000 -1.976 0.734) 2.107 13.072 ( 0.000 1.976 0.734) 2.107 13.135 ( 0.000 -2.536 -2.046) 3.259 13.135 ( 0.000 2.536 -2.046) 3.259 13.276 ( 0.000 -2.745 -1.687) 3.222 13.276 ( 0.000 2.745 -1.687) 3.222 13.399 ( 0.000 -4.210 1.492) 4.466 13.399 ( 0.000 4.210 1.492) 4.466 13.500 ( 0.000 -4.883 3.085) 5.776 13.500 ( 0.000 4.883 3.085) 5.776 13.600 ( -0.000 -1.864 -2.274) 2.940 13.600 ( 0.000 1.864 -2.274) 2.940 13.601 ( -0.000 -0.516 0.392) 0.648 13.601 ( 0.000 0.516 0.392) 0.648 13.786 ( 0.000 -3.325 -1.506) 3.651 13.786 ( 0.000 3.325 -1.506) 3.651 14.263 ( 0.000 -4.553 5.542) 7.172 14.263 ( 0.000 4.553 5.542) 7.172 14.941 ( 0.000 -5.724 -4.064) 7.020 14.941 ( 0.000 5.724 -4.064) 7.020 15.292 ( 0.000 -2.850 2.159) 3.575 15.292 ( 0.000 2.850 2.159) 3.575 15.399 ( 0.000 -1.139 -4.763) 4.897 15.399 ( 0.000 1.139 -4.763) 4.897 15.897 ( 0.000 -1.327 3.323) 3.578 15.897 ( 0.000 1.327 3.323) 3.578 ======================= Grid point 135 (46/60) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.697 ( 0.000 0.000 -4.293) 4.293 0.697 ( 0.000 0.000 4.293) 4.293 0.865 ( 0.000 0.000 -3.503) 3.503 0.865 ( 0.000 0.000 3.503) 3.503 1.014 ( 0.000 0.000 -1.338) 1.338 1.014 ( 0.000 0.000 1.338) 1.338 1.049 ( 0.000 0.000 -7.998) 7.998 1.049 ( 0.000 0.000 7.998) 7.998 1.247 ( 0.000 0.000 -0.702) 0.702 1.247 ( 0.000 0.000 0.702) 0.702 1.373 ( 0.000 0.000 -1.584) 1.584 1.373 ( 0.000 0.000 1.584) 1.584 1.420 ( 0.000 0.000 -3.331) 3.331 1.420 ( 0.000 0.000 3.331) 3.331 1.463 ( 0.000 0.000 -2.956) 2.956 1.463 ( 0.000 0.000 2.956) 2.956 1.515 ( 0.000 0.000 -4.431) 4.431 1.515 ( 0.000 0.000 4.431) 4.431 1.641 ( 0.000 0.000 -4.395) 4.395 1.641 ( 0.000 0.000 4.395) 4.395 1.665 ( 0.000 0.000 -1.357) 1.357 1.665 ( 0.000 0.000 1.357) 1.357 1.670 ( 0.000 0.000 -6.278) 6.278 1.670 ( 0.000 0.000 6.278) 6.278 1.823 ( 0.000 0.000 -0.391) 0.391 1.823 ( 0.000 0.000 0.391) 0.391 1.917 ( 0.000 0.000 -4.486) 4.486 1.917 ( 0.000 0.000 4.486) 4.486 1.952 ( 0.000 0.000 -5.240) 5.240 1.952 ( 0.000 0.000 5.240) 5.240 1.965 ( 0.000 0.000 -1.291) 1.291 1.965 ( 0.000 0.000 1.291) 1.291 2.026 ( 0.000 0.000 -0.224) 0.224 2.026 ( 0.000 0.000 0.224) 0.224 2.175 ( 0.000 0.000 -2.999) 2.999 2.175 ( 0.000 0.000 2.999) 2.999 2.191 ( 0.000 0.000 -2.945) 2.945 2.191 ( 0.000 0.000 2.945) 2.945 2.229 ( 0.000 0.000 -4.538) 4.538 2.229 ( 0.000 0.000 4.538) 4.538 2.301 ( 0.000 0.000 -4.673) 4.673 2.301 ( 0.000 0.000 4.673) 4.673 2.412 ( 0.000 0.000 -0.329) 0.329 2.412 ( 0.000 0.000 0.329) 0.329 2.465 ( 0.000 0.000 -5.718) 5.718 2.465 ( 0.000 0.000 5.718) 5.718 2.501 ( 0.000 0.000 -6.717) 6.717 2.501 ( 0.000 0.000 6.717) 6.717 2.687 ( 0.000 0.000 -3.423) 3.423 2.687 ( 0.000 0.000 3.423) 3.423 2.716 ( 0.000 0.000 -5.313) 5.313 2.716 ( 0.000 0.000 5.313) 5.313 2.761 ( 0.000 0.000 -9.772) 9.772 2.761 ( 0.000 0.000 9.772) 9.772 2.933 ( 0.000 0.000 -1.902) 1.902 2.933 ( 0.000 0.000 1.902) 1.902 3.029 ( 0.000 0.000 -3.210) 3.210 3.029 ( 0.000 0.000 3.210) 3.210 3.101 ( 0.000 0.000 -1.963) 1.963 3.101 ( 0.000 0.000 1.963) 1.963 3.196 ( 0.000 0.000 -3.947) 3.947 3.196 ( 0.000 0.000 3.947) 3.947 3.482 ( 0.000 0.000 -3.279) 3.279 3.482 ( 0.000 0.000 3.279) 3.279 3.677 ( 0.000 0.000 -3.798) 3.798 3.677 ( 0.000 0.000 3.798) 3.798 3.746 ( 0.000 0.000 -2.463) 2.463 3.746 ( 0.000 0.000 2.463) 2.463 3.977 ( 0.000 0.000 -2.949) 2.949 3.977 ( 0.000 0.000 2.949) 2.949 4.133 ( 0.000 0.000 -6.388) 6.388 4.133 ( 0.000 0.000 6.388) 6.388 4.344 ( 0.000 0.000 -9.745) 9.745 4.344 ( 0.000 0.000 9.745) 9.745 4.390 ( 0.000 0.000 -3.703) 3.703 4.390 ( 0.000 0.000 3.703) 3.703 4.520 ( 0.000 0.000 -4.280) 4.280 4.520 ( 0.000 0.000 4.280) 4.280 4.843 ( 0.000 0.000 -5.059) 5.059 4.843 ( 0.000 0.000 5.059) 5.059 4.883 ( 0.000 0.000 -0.398) 0.398 4.883 ( 0.000 0.000 0.398) 0.398 5.325 ( 0.000 0.000 -2.606) 2.606 5.325 ( 0.000 0.000 2.606) 2.606 6.866 ( 0.000 0.000 -0.201) 0.201 6.866 ( 0.000 0.000 0.201) 0.201 7.182 ( 0.000 0.000 -0.392) 0.392 7.182 ( 0.000 0.000 0.392) 0.392 7.443 ( 0.000 0.000 -5.224) 5.224 7.443 ( 0.000 0.000 5.224) 5.224 7.668 ( 0.000 0.000 -4.311) 4.311 7.668 ( 0.000 0.000 4.311) 4.311 10.255 ( 0.000 0.000 -5.380) 5.380 10.255 ( 0.000 0.000 5.380) 5.380 10.918 ( 0.000 0.000 -2.462) 2.462 10.918 ( 0.000 0.000 2.462) 2.462 10.946 ( 0.000 0.000 -4.065) 4.065 10.946 ( 0.000 0.000 4.065) 4.065 11.077 ( 0.000 0.000 -0.838) 0.838 11.077 ( 0.000 0.000 0.838) 0.838 11.213 ( 0.000 0.000 -7.932) 7.932 11.213 ( 0.000 0.000 7.932) 7.932 11.958 ( 0.000 0.000 -2.972) 2.972 11.958 ( 0.000 0.000 2.972) 2.972 12.867 ( 0.000 0.000 -2.479) 2.479 12.867 ( 0.000 0.000 2.479) 2.479 13.043 ( 0.000 0.000 -6.857) 6.857 13.043 ( 0.000 0.000 6.857) 6.857 13.237 ( 0.000 0.000 -3.854) 3.854 13.237 ( 0.000 0.000 3.854) 3.854 13.330 ( 0.000 0.000 -1.788) 1.788 13.330 ( 0.000 0.000 1.788) 1.788 13.461 ( 0.000 0.000 -4.549) 4.549 13.461 ( 0.000 0.000 4.549) 4.549 13.621 ( 0.000 0.000 -7.315) 7.315 13.621 ( 0.000 0.000 7.315) 7.315 13.633 ( 0.000 0.000 -3.731) 3.731 13.633 ( 0.000 0.000 3.731) 3.731 13.717 ( 0.000 0.000 -9.913) 9.913 13.717 ( 0.000 0.000 9.913) 9.913 13.743 ( 0.000 0.000 -8.334) 8.334 13.743 ( 0.000 0.000 8.334) 8.334 14.134 ( 0.000 0.000 -5.558) 5.558 14.134 ( 0.000 0.000 5.558) 5.558 14.994 ( 0.000 0.000 -1.395) 1.395 14.994 ( 0.000 0.000 1.395) 1.395 15.187 ( 0.000 0.000 -0.265) 0.265 15.187 ( 0.000 0.000 0.265) 0.265 15.583 ( 0.000 0.000 -12.459) 12.459 15.583 ( 0.000 0.000 12.459) 12.459 16.013 ( 0.000 0.000 -3.407) 3.407 16.013 ( 0.000 0.000 3.407) 3.407 ======================= Grid point 137 (47/60) ======================= q-point: ( 0.12 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.717 ( 2.080 0.000 -3.421) 4.004 0.717 ( 2.080 0.000 3.421) 4.004 0.903 ( 2.839 0.000 -6.179) 6.800 0.903 ( 2.839 0.000 6.179) 6.800 0.975 ( -1.896 0.000 -0.863) 2.083 0.975 ( -1.896 0.000 0.863) 2.083 1.101 ( 3.412 0.000 -1.488) 3.723 1.101 ( 3.412 0.000 1.488) 3.723 1.212 ( -2.437 0.000 -4.306) 4.948 1.212 ( -2.437 0.000 4.306) 4.948 1.350 ( -1.885 0.000 -3.853) 4.289 1.350 ( -1.885 0.000 3.853) 4.289 1.411 ( -1.161 0.000 -1.397) 1.816 1.411 ( -1.161 0.000 1.397) 1.816 1.474 ( -1.203 0.000 -3.332) 3.543 1.474 ( -1.203 0.000 3.332) 3.543 1.533 ( 3.307 0.000 -1.850) 3.789 1.533 ( 3.307 0.000 1.850) 3.789 1.584 ( -3.484 0.000 -2.931) 4.553 1.584 ( -3.484 0.000 2.931) 4.553 1.639 ( -1.730 0.000 -5.949) 6.196 1.639 ( -1.730 0.000 5.949) 6.196 1.725 ( 2.289 0.000 -0.200) 2.298 1.725 ( 2.289 0.000 0.200) 2.298 1.834 ( 1.361 0.000 -0.968) 1.670 1.834 ( 1.361 0.000 0.968) 1.670 1.919 ( -0.572 0.000 -3.869) 3.911 1.919 ( -0.572 0.000 3.869) 3.911 1.936 ( -1.737 0.000 -0.831) 1.926 1.936 ( -1.737 0.000 0.831) 1.926 1.982 ( 2.002 0.000 -4.485) 4.911 1.982 ( 2.002 0.000 4.485) 4.911 2.033 ( 0.828 0.000 -0.002) 0.828 2.033 ( 0.828 0.000 0.002) 0.828 2.136 ( -3.128 0.000 -0.673) 3.199 2.136 ( -3.128 0.000 0.673) 3.199 2.160 ( -1.476 0.000 -4.378) 4.620 2.160 ( -1.476 0.000 4.378) 4.620 2.281 ( 3.219 0.000 -0.833) 3.325 2.281 ( 3.219 0.000 0.833) 3.325 2.306 ( -0.112 0.000 -3.394) 3.396 2.306 ( -0.112 0.000 3.394) 3.396 2.393 ( -1.934 0.000 -1.518) 2.459 2.393 ( -1.934 0.000 1.518) 2.459 2.459 ( -0.396 0.000 -4.650) 4.667 2.459 ( -0.396 0.000 4.650) 4.667 2.503 ( 0.261 0.000 -4.608) 4.616 2.503 ( 0.261 0.000 4.608) 4.616 2.677 ( -0.290 0.000 -0.529) 0.604 2.677 ( -0.290 0.000 0.529) 0.604 2.749 ( 2.795 0.000 -7.173) 7.698 2.749 ( 2.795 0.000 7.173) 7.698 2.824 ( 5.502 0.000 -9.476) 10.957 2.824 ( 5.502 0.000 9.476) 10.957 2.930 ( -0.306 0.000 -0.723) 0.786 2.930 ( -0.306 0.000 0.723) 0.786 3.008 ( -1.664 0.000 -3.728) 4.082 3.008 ( -1.664 0.000 3.728) 4.082 3.092 ( -1.315 0.000 -0.359) 1.363 3.092 ( -1.315 0.000 0.359) 1.363 3.178 ( -0.769 0.000 -2.340) 2.463 3.178 ( -0.769 0.000 2.340) 2.463 3.422 ( -5.143 0.000 -0.462) 5.164 3.422 ( -5.143 0.000 0.462) 5.164 3.682 ( -0.233 0.000 -6.285) 6.290 3.682 ( -0.233 0.000 6.285) 6.290 3.691 ( -3.288 0.000 -1.464) 3.599 3.691 ( -3.288 0.000 1.464) 3.599 4.057 ( 5.474 0.000 -2.097) 5.862 4.057 ( 5.474 0.000 2.097) 5.862 4.137 ( 0.893 0.000 -6.131) 6.195 4.137 ( 0.893 0.000 6.131) 6.195 4.350 ( 0.558 0.000 -8.315) 8.334 4.350 ( 0.558 0.000 8.315) 8.334 4.398 ( 0.681 0.000 -3.360) 3.428 4.398 ( 0.681 0.000 3.360) 3.428 4.536 ( 1.466 0.000 -3.617) 3.903 4.536 ( 1.466 0.000 3.617) 3.903 4.720 ( -7.559 0.000 -2.570) 7.984 4.720 ( -7.559 0.000 2.570) 7.984 4.972 ( 4.383 0.000 -2.262) 4.932 4.972 ( 4.383 0.000 2.262) 4.932 5.284 ( -4.068 0.000 -2.204) 4.627 5.284 ( -4.068 0.000 2.204) 4.627 6.912 ( 4.144 0.000 -0.478) 4.171 6.912 ( 4.144 0.000 0.478) 4.171 7.190 ( 0.786 0.000 -0.007) 0.786 7.190 ( 0.786 0.000 0.007) 0.786 7.433 ( -0.824 0.000 -4.012) 4.096 7.433 ( -0.824 0.000 4.012) 4.096 7.698 ( 2.885 0.000 -3.161) 4.280 7.698 ( 2.885 0.000 3.161) 4.280 10.260 ( 0.377 0.000 -5.290) 5.303 10.260 ( 0.377 0.000 5.290) 5.303 10.835 ( -6.402 0.000 -0.056) 6.402 10.835 ( -6.402 0.000 0.056) 6.402 10.959 ( -1.093 0.000 -0.622) 1.258 10.959 ( -1.093 0.000 0.622) 1.258 11.076 ( 0.876 0.000 -4.462) 4.547 11.076 ( 0.876 0.000 4.462) 4.547 11.266 ( 5.078 0.000 -6.038) 7.890 11.266 ( 5.078 0.000 6.038) 7.890 11.928 ( -2.992 0.000 -2.113) 3.663 11.928 ( -2.992 0.000 2.113) 3.663 12.892 ( 2.468 0.000 -1.884) 3.105 12.892 ( 2.468 0.000 1.884) 3.105 13.063 ( 1.389 0.000 -6.638) 6.781 13.063 ( 1.389 0.000 6.638) 6.781 13.207 ( -1.425 0.000 -2.223) 2.641 13.207 ( -1.425 0.000 2.223) 2.641 13.368 ( 0.116 0.000 -4.041) 4.043 13.368 ( 0.116 0.000 4.041) 4.043 13.414 ( -1.913 0.000 -1.425) 2.385 13.414 ( -1.913 0.000 1.425) 2.385 13.579 ( -3.245 0.000 -4.190) 5.299 13.579 ( -3.245 0.000 4.190) 5.299 13.632 ( -0.580 0.000 -3.319) 3.369 13.632 ( -0.580 0.000 3.319) 3.369 13.722 ( 1.105 0.000 -5.616) 5.723 13.722 ( 1.105 0.000 5.616) 5.723 13.775 ( 1.414 0.000 -7.547) 7.678 13.775 ( 1.414 0.000 7.547) 7.678 14.071 ( -5.540 0.000 -3.691) 6.657 14.071 ( -5.540 0.000 3.691) 6.657 15.018 ( 2.367 0.000 -0.844) 2.513 15.018 ( 2.367 0.000 0.844) 2.513 15.208 ( 2.079 0.000 -0.317) 2.103 15.208 ( 2.079 0.000 0.317) 2.103 15.564 ( -1.783 0.000 -11.955) 12.087 15.564 ( -1.783 0.000 11.955) 12.087 15.973 ( -3.859 0.000 -4.381) 5.839 15.973 ( -3.859 0.000 4.381) 5.839 ======================= Grid point 139 (48/60) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.773 ( 3.263 0.000 -1.033) 3.423 0.773 ( 3.263 0.000 1.033) 3.423 0.924 ( -0.299 0.000 -5.075) 5.084 0.924 ( -0.299 0.000 5.075) 5.084 0.957 ( -0.553 0.000 -2.072) 2.144 0.957 ( -0.553 0.000 2.072) 2.144 1.172 ( 2.716 0.000 -7.502) 7.979 1.172 ( 2.716 0.000 7.502) 7.979 1.194 ( 1.361 0.000 -0.535) 1.463 1.194 ( 1.361 0.000 0.535) 1.463 1.290 ( -3.323 0.000 -1.812) 3.785 1.290 ( -3.323 0.000 1.812) 3.785 1.388 ( -1.745 0.000 -2.621) 3.149 1.388 ( -1.745 0.000 2.621) 3.149 1.444 ( -1.589 0.000 -4.166) 4.458 1.444 ( -1.589 0.000 4.166) 4.458 1.528 ( -1.775 0.000 -3.660) 4.067 1.528 ( -1.775 0.000 3.660) 4.067 1.573 ( 0.874 0.000 -0.459) 0.988 1.573 ( 0.874 0.000 0.459) 0.988 1.633 ( 0.525 0.000 -0.773) 0.935 1.633 ( 0.525 0.000 0.773) 0.935 1.730 ( -1.491 0.000 -1.295) 1.975 1.730 ( -1.491 0.000 1.295) 1.975 1.847 ( -2.180 0.000 -0.021) 2.181 1.847 ( -2.180 0.000 0.021) 2.181 1.901 ( 0.671 0.000 -0.371) 0.767 1.901 ( 0.671 0.000 0.371) 0.767 1.932 ( 1.746 0.000 -3.612) 4.012 1.932 ( 1.746 0.000 3.612) 4.012 2.009 ( -0.163 0.000 -2.618) 2.623 2.009 ( -0.163 0.000 2.618) 2.623 2.032 ( -1.530 0.000 -0.159) 1.539 2.032 ( -1.530 0.000 0.159) 1.539 2.104 ( 0.739 0.000 -1.094) 1.320 2.104 ( 0.739 0.000 1.094) 1.320 2.144 ( 0.241 0.000 -3.920) 3.928 2.144 ( 0.241 0.000 3.920) 3.928 2.281 ( -1.866 0.000 -1.558) 2.431 2.281 ( -1.866 0.000 1.558) 2.431 2.331 ( -0.092 0.000 -2.795) 2.797 2.331 ( -0.092 0.000 2.795) 2.797 2.352 ( -0.765 0.000 -0.038) 0.766 2.352 ( -0.765 0.000 0.038) 0.766 2.445 ( -1.120 0.000 -0.572) 1.258 2.445 ( -1.120 0.000 0.572) 1.258 2.513 ( 0.838 0.000 -2.318) 2.465 2.513 ( 0.838 0.000 2.318) 2.465 2.673 ( -0.213 0.000 -0.631) 0.666 2.673 ( -0.213 0.000 0.631) 0.666 2.810 ( 3.012 0.000 -6.707) 7.352 2.810 ( 3.012 0.000 6.707) 7.352 2.920 ( 0.188 0.000 -5.594) 5.597 2.920 ( 0.188 0.000 5.594) 5.597 2.938 ( 2.442 0.000 -0.135) 2.446 2.938 ( 2.442 0.000 0.135) 2.446 2.993 ( 2.730 0.000 -9.201) 9.597 2.993 ( 2.730 0.000 9.201) 9.597 3.036 ( -3.804 0.000 -1.936) 4.269 3.036 ( -3.804 0.000 1.936) 4.269 3.204 ( 2.177 0.000 -1.326) 2.549 3.204 ( 2.177 0.000 1.326) 2.549 3.346 ( -0.542 0.000 -0.016) 0.543 3.346 ( -0.542 0.000 0.016) 0.543 3.616 ( -3.525 0.000 -4.860) 6.004 3.616 ( -3.525 0.000 4.860) 6.004 3.679 ( -0.912 0.000 -5.008) 5.090 3.679 ( -0.912 0.000 5.008) 5.090 4.121 ( 1.634 0.000 -1.632) 2.309 4.121 ( 1.634 0.000 1.632) 2.309 4.183 ( 2.120 0.000 -0.385) 2.155 4.183 ( 2.120 0.000 0.385) 2.155 4.361 ( 0.339 0.000 -4.849) 4.861 4.361 ( 0.339 0.000 4.849) 4.861 4.414 ( 1.026 0.000 -1.805) 2.076 4.414 ( 1.026 0.000 1.805) 2.076 4.543 ( -2.704 0.000 -1.577) 3.130 4.543 ( -2.704 0.000 1.577) 3.130 4.614 ( -0.482 0.000 -3.540) 3.572 4.614 ( -0.482 0.000 3.540) 3.572 5.036 ( 2.248 0.000 -2.233) 3.168 5.036 ( 2.248 0.000 2.233) 3.168 5.175 ( -6.810 0.000 -1.052) 6.891 5.175 ( -6.810 0.000 1.052) 6.891 6.997 ( 4.032 0.000 -1.307) 4.239 6.997 ( 4.032 0.000 1.307) 4.239 7.204 ( 0.192 0.000 -0.222) 0.293 7.204 ( 0.192 0.000 0.222) 0.293 7.424 ( 0.254 0.000 -1.963) 1.979 7.424 ( 0.254 0.000 1.963) 1.979 7.768 ( 3.943 0.000 -1.917) 4.385 7.768 ( 3.943 0.000 1.917) 4.385 10.267 ( 0.369 0.000 -4.939) 4.953 10.267 ( 0.369 0.000 4.939) 4.953 10.691 ( -7.894 0.000 -0.013) 7.894 10.691 ( -7.894 0.000 0.013) 7.894 10.904 ( -3.722 0.000 -1.915) 4.186 10.904 ( -3.722 0.000 1.915) 4.186 11.127 ( 3.985 0.000 -5.758) 7.002 11.127 ( 3.985 0.000 5.758) 7.002 11.388 ( 6.663 0.000 -3.748) 7.645 11.388 ( 6.663 0.000 3.748) 7.645 11.851 ( -4.443 0.000 -0.305) 4.454 11.851 ( -4.443 0.000 0.305) 4.454 12.954 ( 3.578 0.000 -0.366) 3.596 12.954 ( 3.578 0.000 0.366) 3.596 13.074 ( -0.361 0.000 -3.393) 3.412 13.074 ( -0.361 0.000 3.393) 3.412 13.177 ( -2.689 0.000 -3.184) 4.168 13.177 ( -2.689 0.000 3.184) 4.168 13.301 ( -2.840 0.000 -3.175) 4.260 13.301 ( -2.840 0.000 3.175) 4.260 13.422 ( -1.403 0.000 -0.236) 1.423 13.422 ( -1.403 0.000 0.236) 1.423 13.535 ( -0.335 0.000 -5.071) 5.082 13.535 ( -0.335 0.000 5.071) 5.082 13.616 ( -0.790 0.000 -6.379) 6.428 13.616 ( -0.790 0.000 6.379) 6.428 13.731 ( -0.606 0.000 -2.218) 2.300 13.731 ( -0.606 0.000 2.218) 2.300 13.779 ( -1.036 0.000 -5.193) 5.295 13.779 ( -1.036 0.000 5.193) 5.295 13.974 ( -3.168 0.000 -0.397) 3.193 13.974 ( -3.168 0.000 0.397) 3.193 15.077 ( 3.478 0.000 -0.433) 3.505 15.077 ( 3.478 0.000 0.433) 3.505 15.260 ( 2.897 0.000 -0.671) 2.973 15.260 ( 2.897 0.000 0.671) 2.973 15.527 ( -1.501 0.000 -9.944) 10.057 15.527 ( -1.501 0.000 9.944) 10.057 15.876 ( -5.855 0.000 -5.329) 7.917 15.876 ( -5.855 0.000 5.329) 7.917 ======================= Grid point 141 (49/60) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( 0.894 0.000 -1.800) 2.009 0.819 ( 0.894 0.000 1.800) 2.009 0.927 ( 0.901 0.000 -1.606) 1.841 0.927 ( 0.901 0.000 1.606) 1.841 0.961 ( 1.759 0.000 -1.221) 2.141 0.961 ( 1.759 0.000 1.221) 2.141 1.131 ( -5.004 0.000 -0.460) 5.025 1.131 ( -5.004 0.000 0.460) 5.025 1.244 ( 0.876 0.000 -1.434) 1.681 1.244 ( 0.876 0.000 1.434) 1.681 1.281 ( 2.349 0.000 -0.574) 2.418 1.281 ( 2.349 0.000 0.574) 2.418 1.359 ( -0.463 0.000 -1.181) 1.268 1.359 ( -0.463 0.000 1.181) 1.268 1.407 ( -2.416 0.000 -3.728) 4.442 1.407 ( -2.416 0.000 3.728) 4.442 1.521 ( 1.436 0.000 -2.059) 2.510 1.521 ( 1.436 0.000 2.059) 2.510 1.592 ( -0.421 0.000 -0.862) 0.959 1.592 ( -0.421 0.000 0.862) 0.959 1.633 ( 0.983 0.000 -1.162) 1.522 1.633 ( 0.983 0.000 1.162) 1.522 1.679 ( -3.607 0.000 -1.790) 4.027 1.679 ( -3.607 0.000 1.790) 4.027 1.796 ( -2.049 0.000 -1.119) 2.335 1.796 ( -2.049 0.000 1.119) 2.335 1.902 ( -0.657 0.000 -0.011) 0.657 1.902 ( -0.657 0.000 0.011) 0.657 1.971 ( -0.635 0.000 -0.729) 0.967 1.971 ( -0.635 0.000 0.729) 0.967 1.977 ( -1.368 0.000 -2.122) 2.524 1.977 ( -1.368 0.000 2.122) 2.524 2.027 ( 2.419 0.000 -2.503) 3.481 2.027 ( 2.419 0.000 2.503) 3.481 2.136 ( 1.627 0.000 -2.803) 3.241 2.136 ( 1.627 0.000 2.803) 3.241 2.169 ( 1.932 0.000 -2.006) 2.785 2.169 ( 1.932 0.000 2.006) 2.785 2.241 ( -2.000 0.000 -2.592) 3.274 2.241 ( -2.000 0.000 2.592) 3.274 2.298 ( -1.266 0.000 -1.289) 1.807 2.298 ( -1.266 0.000 1.289) 1.807 2.346 ( -1.419 0.000 -0.425) 1.481 2.346 ( -1.419 0.000 0.425) 1.481 2.430 ( -0.238 0.000 -0.325) 0.403 2.430 ( -0.238 0.000 0.325) 0.403 2.531 ( 0.740 0.000 -0.604) 0.955 2.531 ( 0.740 0.000 0.604) 0.955 2.673 ( 0.306 0.000 -0.261) 0.402 2.673 ( 0.306 0.000 0.261) 0.402 2.850 ( 0.960 0.000 -3.772) 3.893 2.850 ( 0.960 0.000 3.772) 3.893 2.899 ( -2.137 0.000 -1.001) 2.360 2.899 ( -2.137 0.000 1.001) 2.360 2.934 ( -0.271 0.000 -2.918) 2.930 2.934 ( -0.271 0.000 2.918) 2.930 2.977 ( -1.745 0.000 -1.845) 2.540 2.977 ( -1.745 0.000 1.845) 2.540 3.124 ( 7.732 0.000 -11.022) 13.463 3.124 ( 7.732 0.000 11.022) 13.463 3.212 ( -0.271 0.000 -1.858) 1.878 3.212 ( -0.271 0.000 1.858) 1.878 3.383 ( -0.515 0.000 -4.969) 4.995 3.383 ( -0.515 0.000 4.969) 4.995 3.592 ( 1.827 0.000 -0.367) 1.864 3.592 ( 1.827 0.000 0.367) 1.864 3.667 ( 1.745 0.000 -2.952) 3.430 3.667 ( 1.745 0.000 2.952) 3.430 4.096 ( -6.398 0.000 -0.795) 6.448 4.096 ( -6.398 0.000 0.795) 6.448 4.196 ( 1.614 0.000 -3.554) 3.903 4.196 ( 1.614 0.000 3.554) 3.903 4.356 ( -0.714 0.000 -2.143) 2.259 4.356 ( -0.714 0.000 2.143) 2.259 4.445 ( 1.793 0.000 -0.009) 1.793 4.445 ( 1.793 0.000 0.009) 1.793 4.499 ( -0.738 0.000 -0.629) 0.970 4.499 ( -0.738 0.000 0.629) 0.970 4.660 ( 3.595 0.000 -3.536) 5.042 4.660 ( 3.595 0.000 3.536) 5.042 5.035 ( -6.739 0.000 -0.198) 6.742 5.035 ( -6.739 0.000 0.198) 6.742 5.063 ( 0.493 0.000 -0.849) 0.982 5.063 ( 0.493 0.000 0.849) 0.982 7.062 ( 2.620 0.000 -1.059) 2.826 7.062 ( 2.620 0.000 1.059) 2.826 7.191 ( -1.348 0.000 -0.213) 1.365 7.191 ( -1.348 0.000 0.213) 1.365 7.443 ( 1.317 0.000 -0.485) 1.403 7.443 ( 1.317 0.000 0.485) 1.403 7.836 ( 2.702 0.000 -0.813) 2.821 7.836 ( 2.702 0.000 0.813) 2.821 10.277 ( 0.689 0.000 -3.613) 3.678 10.277 ( 0.689 0.000 3.613) 3.678 10.549 ( -6.054 0.000 -0.304) 6.062 10.549 ( -6.054 0.000 0.304) 6.062 10.840 ( -2.469 0.000 -0.668) 2.558 10.840 ( -2.469 0.000 0.668) 2.558 11.215 ( 4.562 0.000 -3.869) 5.982 11.215 ( 4.562 0.000 3.869) 5.982 11.488 ( 2.702 0.000 -0.704) 2.792 11.488 ( 2.702 0.000 0.704) 2.792 11.779 ( -2.251 0.000 -0.027) 2.251 11.779 ( -2.251 0.000 0.027) 2.251 13.012 ( 1.766 0.000 -0.162) 1.773 13.012 ( 1.766 0.000 0.162) 1.773 13.038 ( -3.005 0.000 -0.431) 3.036 13.038 ( -3.005 0.000 0.431) 3.036 13.149 ( 1.256 0.000 -0.267) 1.284 13.149 ( 1.256 0.000 0.267) 1.284 13.261 ( -1.978 0.000 -3.134) 3.706 13.261 ( -1.978 0.000 3.134) 3.706 13.356 ( -4.098 0.000 -1.103) 4.244 13.356 ( -4.098 0.000 1.103) 4.244 13.545 ( 0.619 0.000 -2.333) 2.413 13.545 ( 0.619 0.000 2.333) 2.413 13.607 ( -0.246 0.000 -3.638) 3.646 13.607 ( -0.246 0.000 3.638) 3.646 13.718 ( -0.173 0.000 -0.102) 0.201 13.718 ( -0.173 0.000 0.102) 0.201 13.745 ( -1.803 0.000 -2.424) 3.022 13.745 ( -1.803 0.000 2.424) 3.022 13.952 ( 0.069 0.000 -0.036) 0.078 13.952 ( 0.069 0.000 0.036) 0.078 15.146 ( 3.308 0.000 -1.396) 3.590 15.146 ( 3.308 0.000 1.396) 3.590 15.296 ( 0.347 0.000 -0.275) 0.443 15.296 ( 0.347 0.000 0.275) 0.443 15.531 ( 2.380 0.000 -4.369) 4.976 15.531 ( 2.380 0.000 4.369) 4.976 15.754 ( -6.390 0.000 -4.250) 7.674 15.754 ( -6.390 0.000 4.250) 7.674 ======================= Grid point 143 (50/60) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.821 ( 0.000 0.000 0.000) 0.000 0.821 ( 0.000 0.000 0.000) 0.000 0.943 ( 0.000 0.000 0.000) 0.000 0.943 ( 0.000 0.000 0.000) 0.000 1.027 ( 0.000 0.000 -0.000) 0.000 1.027 ( 0.000 0.000 -0.000) 0.000 1.028 ( -0.000 0.000 0.000) 0.000 1.028 ( -0.000 0.000 0.000) 0.000 1.249 ( 0.000 0.000 0.000) 0.000 1.249 ( 0.000 0.000 0.000) 0.000 1.318 ( 0.000 0.000 -0.000) 0.000 1.318 ( 0.000 0.000 -0.000) 0.000 1.352 ( 0.000 0.000 0.000) 0.000 1.352 ( 0.000 0.000 0.000) 0.000 1.376 ( 0.000 0.000 0.000) 0.000 1.376 ( 0.000 0.000 0.000) 0.000 1.555 ( -0.000 0.000 0.000) 0.000 1.555 ( -0.000 0.000 0.000) 0.000 1.588 ( 0.000 0.000 0.000) 0.000 1.588 ( 0.000 0.000 0.000) 0.000 1.610 ( -0.000 0.000 0.000) 0.000 1.610 ( -0.000 0.000 0.000) 0.000 1.657 ( 0.000 0.000 0.000) 0.000 1.657 ( 0.000 0.000 0.000) 0.000 1.776 ( 0.000 0.000 0.000) 0.000 1.776 ( 0.000 0.000 0.000) 0.000 1.887 ( 0.000 0.000 0.000) 0.000 1.887 ( 0.000 0.000 0.000) 0.000 1.957 ( 0.000 0.000 0.000) 0.000 1.957 ( 0.000 0.000 0.000) 0.000 1.965 ( 0.000 0.000 0.000) 0.000 1.965 ( 0.000 0.000 0.000) 0.000 2.066 ( 0.000 0.000 0.000) 0.000 2.066 ( 0.000 0.000 0.000) 0.000 2.150 ( 0.000 0.000 -0.000) 0.000 2.150 ( 0.000 0.000 -0.000) 0.000 2.205 ( 0.000 0.000 0.000) 0.000 2.205 ( 0.000 0.000 0.000) 0.000 2.206 ( -0.000 0.000 -0.000) 0.000 2.206 ( -0.000 0.000 -0.000) 0.000 2.301 ( 0.000 0.000 0.000) 0.000 2.301 ( 0.000 0.000 0.000) 0.000 2.312 ( 0.000 0.000 -0.000) 0.000 2.312 ( 0.000 0.000 -0.000) 0.000 2.429 ( 0.000 0.000 0.000) 0.000 2.429 ( 0.000 0.000 0.000) 0.000 2.538 ( 0.000 0.000 0.000) 0.000 2.538 ( 0.000 0.000 0.000) 0.000 2.680 ( 0.000 0.000 0.000) 0.000 2.680 ( 0.000 0.000 0.000) 0.000 2.853 ( 0.000 0.000 0.000) 0.000 2.853 ( 0.000 0.000 0.000) 0.000 2.874 ( 0.000 0.000 0.000) 0.000 2.874 ( 0.000 0.000 0.000) 0.000 2.931 ( 0.000 0.000 0.000) 0.000 2.931 ( 0.000 0.000 0.000) 0.000 2.964 ( 0.000 0.000 0.000) 0.000 2.964 ( 0.000 0.000 0.000) 0.000 3.209 ( 0.000 0.000 0.000) 0.000 3.209 ( 0.000 0.000 0.000) 0.000 3.240 ( 0.000 0.000 0.000) 0.000 3.240 ( 0.000 0.000 0.000) 0.000 3.325 ( 0.000 0.000 0.000) 0.000 3.325 ( 0.000 0.000 0.000) 0.000 3.600 ( 0.000 0.000 0.000) 0.000 3.600 ( 0.000 0.000 0.000) 0.000 3.760 ( 0.000 0.000 0.000) 0.000 3.760 ( 0.000 0.000 0.000) 0.000 3.974 ( 0.000 0.000 0.000) 0.000 3.974 ( 0.000 0.000 0.000) 0.000 4.223 ( 0.000 0.000 0.000) 0.000 4.223 ( 0.000 0.000 0.000) 0.000 4.344 ( 0.000 0.000 0.000) 0.000 4.344 ( 0.000 0.000 0.000) 0.000 4.463 ( 0.000 0.000 0.000) 0.000 4.463 ( 0.000 0.000 0.000) 0.000 4.497 ( 0.000 0.000 0.000) 0.000 4.497 ( 0.000 0.000 0.000) 0.000 4.711 ( 0.000 0.000 0.000) 0.000 4.711 ( 0.000 0.000 0.000) 0.000 4.953 ( 0.000 0.000 0.000) 0.000 4.953 ( 0.000 0.000 0.000) 0.000 5.068 ( 0.000 0.000 0.000) 0.000 5.068 ( 0.000 0.000 0.000) 0.000 7.092 ( 0.000 0.000 0.000) 0.000 7.092 ( 0.000 0.000 0.000) 0.000 7.171 ( 0.000 0.000 0.000) 0.000 7.171 ( 0.000 0.000 0.000) 0.000 7.458 ( 0.000 0.000 0.000) 0.000 7.458 ( 0.000 0.000 0.000) 0.000 7.864 ( 0.000 0.000 0.000) 0.000 7.864 ( 0.000 0.000 0.000) 0.000 10.287 ( 0.000 0.000 0.000) 0.000 10.287 ( 0.000 0.000 0.000) 0.000 10.483 ( 0.000 0.000 0.000) 0.000 10.483 ( 0.000 0.000 0.000) 0.000 10.815 ( 0.000 0.000 0.000) 0.000 10.815 ( 0.000 0.000 0.000) 0.000 11.270 ( 0.000 0.000 0.000) 0.000 11.270 ( 0.000 0.000 0.000) 0.000 11.501 ( 0.000 0.000 0.000) 0.000 11.501 ( 0.000 0.000 0.000) 0.000 11.764 ( 0.000 0.000 0.000) 0.000 11.764 ( 0.000 0.000 0.000) 0.000 13.003 ( 0.000 0.000 0.000) 0.000 13.003 ( 0.000 0.000 0.000) 0.000 13.024 ( 0.000 0.000 0.000) 0.000 13.024 ( 0.000 0.000 0.000) 0.000 13.196 ( -0.000 0.000 -0.000) 0.000 13.196 ( -0.000 0.000 -0.000) 0.000 13.220 ( 0.000 0.000 0.000) 0.000 13.220 ( 0.000 0.000 0.000) 0.000 13.307 ( 0.000 0.000 0.000) 0.000 13.307 ( 0.000 0.000 0.000) 0.000 13.552 ( 0.000 0.000 0.000) 0.000 13.552 ( 0.000 0.000 0.000) 0.000 13.604 ( 0.000 0.000 0.000) 0.000 13.604 ( 0.000 0.000 0.000) 0.000 13.714 ( 0.000 0.000 0.000) 0.000 13.714 ( 0.000 0.000 0.000) 0.000 13.731 ( 0.000 0.000 0.000) 0.000 13.731 ( 0.000 0.000 0.000) 0.000 13.954 ( 0.000 0.000 0.000) 0.000 13.954 ( 0.000 0.000 0.000) 0.000 15.186 ( 0.000 0.000 0.000) 0.000 15.186 ( 0.000 0.000 0.000) 0.000 15.289 ( 0.000 0.000 0.000) 0.000 15.289 ( 0.000 0.000 0.000) 0.000 15.592 ( -0.000 0.000 0.000) 0.000 15.592 ( -0.000 0.000 0.000) 0.000 15.657 ( 0.000 0.000 0.000) 0.000 15.657 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 153 (51/60) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.712 ( 0.000 1.348 -5.987) 6.137 0.712 ( 0.000 1.348 5.987) 6.137 0.843 ( 0.000 -1.867 -2.414) 3.052 0.843 ( 0.000 -1.867 2.414) 3.052 0.917 ( 0.000 -5.542 -0.416) 5.557 0.917 ( 0.000 -5.542 0.416) 5.557 1.095 ( 0.000 1.190 -4.001) 4.175 1.095 ( 0.000 1.190 4.001) 4.175 1.195 ( 0.000 -3.182 -0.000) 3.182 1.195 ( 0.000 -3.182 0.000) 3.182 1.371 ( 0.000 0.557 -0.061) 0.560 1.371 ( 0.000 0.557 0.061) 0.560 1.433 ( 0.000 1.346 -2.630) 2.954 1.433 ( 0.000 1.346 2.630) 2.954 1.506 ( 0.000 2.185 -0.570) 2.258 1.506 ( 0.000 2.185 0.570) 2.258 1.548 ( 0.000 0.786 -0.571) 0.972 1.548 ( 0.000 0.786 0.571) 0.972 1.593 ( 0.000 -0.953 -1.039) 1.410 1.593 ( 0.000 -0.953 1.039) 1.410 1.650 ( 0.000 -0.634 -6.152) 6.184 1.650 ( 0.000 -0.634 6.152) 6.184 1.703 ( 0.000 0.718 -0.033) 0.719 1.703 ( 0.000 0.718 0.033) 0.719 1.845 ( 0.000 1.692 -0.376) 1.733 1.845 ( 0.000 1.692 0.376) 1.733 1.906 ( 0.000 -0.760 -1.477) 1.661 1.906 ( 0.000 -0.760 1.477) 1.661 1.931 ( 0.000 -1.221 -0.076) 1.223 1.931 ( 0.000 -1.221 0.076) 1.223 1.976 ( 0.000 0.780 -1.188) 1.421 1.976 ( 0.000 0.780 1.188) 1.421 2.050 ( 0.000 1.552 -1.484) 2.147 2.050 ( 0.000 1.552 1.484) 2.147 2.152 ( 0.000 -1.653 -2.876) 3.317 2.152 ( 0.000 -1.653 2.876) 3.317 2.171 ( 0.000 -3.141 -2.148) 3.806 2.171 ( 0.000 -3.141 2.148) 3.806 2.218 ( 0.000 0.978 -4.182) 4.295 2.218 ( 0.000 0.978 4.182) 4.295 2.282 ( 0.000 -2.771 -2.264) 3.578 2.282 ( 0.000 -2.771 2.264) 3.578 2.406 ( 0.000 -0.326 -0.100) 0.341 2.406 ( 0.000 -0.326 0.100) 0.341 2.453 ( 0.000 2.845 -2.958) 4.104 2.453 ( 0.000 2.845 2.958) 4.104 2.582 ( 0.000 1.644 -0.921) 1.885 2.582 ( 0.000 1.644 0.921) 1.885 2.688 ( 0.000 1.409 -4.189) 4.420 2.688 ( 0.000 1.409 4.189) 4.420 2.729 ( 0.000 0.893 -6.258) 6.321 2.729 ( 0.000 0.893 6.258) 6.321 2.763 ( 0.000 0.399 -6.671) 6.683 2.763 ( 0.000 0.399 6.671) 6.683 2.877 ( 0.000 -3.642 -0.493) 3.675 2.877 ( 0.000 -3.642 0.493) 3.675 3.065 ( 0.000 2.533 -0.662) 2.618 3.065 ( 0.000 2.533 0.662) 2.618 3.129 ( 0.000 1.496 -1.615) 2.202 3.129 ( 0.000 1.496 1.615) 2.202 3.234 ( 0.000 2.671 -2.258) 3.497 3.234 ( 0.000 2.671 2.258) 3.497 3.428 ( 0.000 -2.885 -3.162) 4.281 3.428 ( 0.000 -2.885 3.162) 4.281 3.723 ( 0.000 2.196 -3.195) 3.877 3.723 ( 0.000 2.196 3.195) 3.877 3.745 ( 0.000 1.196 -2.235) 2.535 3.745 ( 0.000 1.196 2.235) 2.535 3.979 ( 0.000 -0.625 -1.034) 1.209 3.979 ( 0.000 -0.625 1.034) 1.209 4.142 ( 0.000 0.806 -4.374) 4.447 4.142 ( 0.000 0.806 4.374) 4.447 4.258 ( 0.000 -7.064 -4.394) 8.319 4.258 ( 0.000 -7.064 4.394) 8.319 4.394 ( 0.000 1.260 -5.421) 5.565 4.394 ( 0.000 1.260 5.421) 5.565 4.494 ( 0.000 -2.135 -2.266) 3.113 4.494 ( 0.000 -2.135 2.266) 3.113 4.831 ( 0.000 -0.625 -4.185) 4.232 4.831 ( 0.000 -0.625 4.185) 4.232 4.970 ( 0.000 6.170 -0.002) 6.170 4.970 ( 0.000 6.170 0.002) 6.170 5.308 ( 0.000 -1.582 -1.793) 2.391 5.308 ( 0.000 -1.582 1.793) 2.391 6.876 ( 0.000 0.853 -0.238) 0.885 6.876 ( 0.000 0.853 0.238) 0.885 7.155 ( 0.000 -2.070 -0.476) 2.124 7.155 ( 0.000 -2.070 0.476) 2.124 7.404 ( 0.000 -3.055 -2.846) 4.175 7.404 ( 0.000 -3.055 2.846) 4.175 7.670 ( 0.000 0.295 -1.834) 1.858 7.670 ( 0.000 0.295 1.834) 1.858 10.258 ( 0.000 0.180 -3.823) 3.827 10.258 ( 0.000 0.180 3.823) 3.827 10.911 ( 0.000 -0.241 -0.518) 0.572 10.911 ( 0.000 -0.241 0.518) 0.572 10.937 ( 0.000 -0.851 -3.117) 3.231 10.937 ( 0.000 -0.851 3.117) 3.231 11.128 ( 0.000 3.674 -0.986) 3.804 11.128 ( 0.000 3.674 0.986) 3.804 11.220 ( 0.000 0.512 -5.382) 5.406 11.220 ( 0.000 0.512 5.382) 5.406 11.952 ( 0.000 -0.459 -2.100) 2.150 11.952 ( 0.000 -0.459 2.100) 2.150 12.914 ( 0.000 4.212 -2.191) 4.748 12.914 ( 0.000 4.212 2.191) 4.748 13.048 ( 0.000 0.144 -4.966) 4.968 13.048 ( 0.000 0.144 4.966) 4.968 13.202 ( 0.000 -2.541 -2.608) 3.642 13.202 ( 0.000 -2.541 2.608) 3.642 13.309 ( 0.000 -2.221 -0.111) 2.224 13.309 ( 0.000 -2.221 0.111) 2.224 13.439 ( 0.000 -1.457 -2.647) 3.022 13.439 ( 0.000 -1.457 2.647) 3.022 13.552 ( 0.000 -2.580 -3.727) 4.532 13.552 ( 0.000 -2.580 3.727) 4.532 13.608 ( 0.000 -2.602 -2.978) 3.955 13.608 ( 0.000 -2.602 2.978) 3.955 13.799 ( 0.000 6.356 -2.014) 6.668 13.799 ( 0.000 6.356 2.014) 6.668 13.845 ( 0.000 6.319 -0.985) 6.395 13.845 ( 0.000 6.319 0.985) 6.395 14.091 ( 0.000 -3.989 -5.224) 6.573 14.091 ( 0.000 -3.989 5.224) 6.573 14.986 ( 0.000 -0.912 -0.323) 0.968 14.986 ( 0.000 -0.912 0.323) 0.968 15.208 ( 0.000 2.018 -0.936) 2.224 15.208 ( 0.000 2.018 0.936) 2.224 15.572 ( 0.000 -1.042 -9.462) 9.519 15.572 ( 0.000 -1.042 9.462) 9.519 15.998 ( 0.000 -1.145 -2.490) 2.740 15.998 ( 0.000 -1.145 2.490) 2.740 ======================= Grid point 155 (52/60) ======================= q-point: ( 0.12 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.717 ( 1.182 0.550 0.000) 1.304 0.736 ( 1.833 1.250 0.000) 2.219 0.832 ( 0.839 -2.885 0.000) 3.004 0.917 ( 3.161 -2.289 0.000) 3.903 0.941 ( 2.537 -1.309 0.000) 2.854 0.957 ( 4.330 -5.973 0.000) 7.378 1.028 ( -1.883 2.211 0.000) 2.905 1.127 ( -0.899 -1.768 0.000) 1.984 1.198 ( 2.698 -1.273 0.000) 2.983 1.218 ( -1.373 -1.855 0.000) 2.308 1.302 ( -3.600 -0.157 0.000) 3.603 1.328 ( -1.924 1.613 0.000) 2.510 1.446 ( -0.108 -1.848 0.000) 1.851 1.464 ( -0.187 0.260 0.000) 0.321 1.493 ( -2.607 0.636 -0.000) 2.683 1.511 ( -0.673 6.223 0.000) 6.259 1.512 ( 0.242 1.016 -0.000) 1.044 1.532 ( -3.812 -1.112 0.000) 3.970 1.560 ( -0.891 0.817 -0.000) 1.209 1.598 ( 0.451 -3.437 -0.000) 3.467 1.614 ( 0.824 -0.403 0.000) 0.917 1.671 ( -0.512 2.675 0.000) 2.724 1.715 ( 1.130 2.703 0.000) 2.930 1.761 ( 3.261 -2.879 0.000) 4.350 1.818 ( -1.577 2.232 0.000) 2.733 1.852 ( -0.201 -0.321 0.000) 0.379 1.893 ( -0.967 -0.687 0.000) 1.186 1.905 ( -0.852 0.346 0.000) 0.920 1.939 ( -0.172 -1.310 0.000) 1.321 1.959 ( -0.281 -2.685 -0.000) 2.700 1.961 ( 0.455 0.530 0.000) 0.699 1.977 ( 0.195 0.569 0.000) 0.602 2.017 ( 1.167 1.312 0.000) 1.756 2.066 ( -0.961 0.084 0.000) 0.965 2.110 ( -2.625 -1.191 0.000) 2.882 2.117 ( -0.954 -0.755 0.000) 1.217 2.173 ( -1.657 0.734 0.000) 1.813 2.180 ( -0.035 0.202 0.000) 0.205 2.233 ( 1.921 -2.366 0.000) 3.048 2.250 ( 1.780 -1.069 -0.000) 2.076 2.282 ( -0.018 -3.856 0.000) 3.856 2.288 ( 0.746 -1.763 0.000) 1.914 2.413 ( 0.614 0.036 0.000) 0.615 2.417 ( 1.032 -0.985 0.000) 1.427 2.441 ( -1.638 4.654 -0.000) 4.934 2.441 ( -0.472 3.293 0.000) 3.327 2.579 ( -0.147 3.370 0.000) 3.373 2.607 ( 1.506 1.297 0.000) 1.988 2.668 ( -0.451 2.655 0.000) 2.693 2.692 ( -0.462 1.019 -0.000) 1.119 2.752 ( 2.144 0.810 0.000) 2.292 2.770 ( 3.647 1.011 -0.000) 3.784 2.795 ( 3.504 -1.818 0.000) 3.948 2.822 ( 4.374 -0.976 -0.000) 4.482 2.866 ( 0.197 -2.520 0.000) 2.528 2.892 ( 0.970 -3.761 0.000) 3.884 3.028 ( -2.866 1.439 0.000) 3.207 3.084 ( 1.001 0.349 0.000) 1.060 3.096 ( -1.843 3.427 0.000) 3.891 3.121 ( -1.578 1.602 0.000) 2.248 3.140 ( -5.003 2.868 0.000) 5.767 3.282 ( 0.992 2.706 0.000) 2.883 3.364 ( -5.203 -1.844 0.000) 5.520 3.415 ( -1.524 -1.780 0.000) 2.343 3.666 ( -4.066 0.847 0.000) 4.153 3.677 ( -3.802 -0.205 0.000) 3.808 3.724 ( -1.554 2.624 0.000) 3.049 3.740 ( -0.726 2.590 -0.000) 2.690 3.998 ( 2.541 -3.897 0.000) 4.652 4.078 ( 5.647 -1.812 0.000) 5.930 4.129 ( -0.703 -0.119 -0.000) 0.713 4.142 ( 0.666 0.164 0.000) 0.686 4.281 ( 2.115 -4.835 0.000) 5.277 4.289 ( 2.657 -4.303 -0.000) 5.057 4.377 ( -0.570 0.649 0.000) 0.863 4.432 ( 2.426 2.234 0.000) 3.298 4.488 ( -0.175 -4.499 0.000) 4.503 4.525 ( 2.341 -0.393 0.000) 2.374 4.740 ( -6.324 3.516 0.000) 7.236 4.788 ( -4.046 1.224 0.000) 4.227 5.007 ( 2.638 3.589 -0.000) 4.454 5.010 ( 2.482 3.173 0.000) 4.028 5.268 ( -4.056 -1.413 -0.000) 4.295 5.269 ( -3.837 -1.474 0.000) 4.110 6.899 ( 2.989 0.077 0.000) 2.990 6.929 ( 3.726 0.146 0.000) 3.729 7.159 ( 0.466 -1.504 0.000) 1.575 7.187 ( 2.969 -1.708 0.000) 3.426 7.349 ( -2.441 -1.472 0.000) 2.851 7.483 ( 4.613 -2.709 0.000) 5.349 7.639 ( -0.695 0.584 0.000) 0.908 7.728 ( 3.486 -0.530 0.000) 3.526 10.260 ( 0.205 0.115 0.000) 0.235 10.263 ( 0.390 0.111 -0.000) 0.406 10.807 ( -6.732 -1.111 0.000) 6.823 10.824 ( -6.551 -1.465 0.000) 6.712 10.963 ( 1.199 1.800 0.000) 2.162 11.009 ( 0.860 2.304 0.000) 2.459 11.095 ( -0.148 0.841 -0.000) 0.854 11.109 ( -1.427 2.089 0.000) 2.530 11.254 ( 3.662 0.481 -0.000) 3.693 11.278 ( 4.567 0.099 0.000) 4.568 11.924 ( -2.387 0.057 0.000) 2.388 11.932 ( -2.377 0.049 -0.000) 2.378 12.913 ( 0.160 2.440 0.000) 2.445 12.928 ( 1.776 2.804 0.000) 3.319 13.039 ( 0.450 -1.157 0.000) 1.242 13.113 ( -1.150 2.293 0.000) 2.565 13.118 ( -0.340 -4.311 0.000) 4.325 13.230 ( 1.106 -0.100 0.000) 1.111 13.299 ( -1.822 -3.006 0.000) 3.515 13.330 ( 0.485 -4.041 0.000) 4.070 13.427 ( -1.292 0.706 0.000) 1.472 13.440 ( 1.695 0.303 0.000) 1.722 13.512 ( -1.608 -1.557 0.000) 2.239 13.575 ( 0.717 -2.969 0.000) 3.055 13.614 ( 0.447 -1.051 0.000) 1.142 13.643 ( 2.410 -2.908 0.000) 3.777 13.686 ( -6.811 4.365 0.000) 8.090 13.752 ( -5.280 1.409 0.000) 5.465 13.854 ( 0.803 5.490 0.000) 5.549 13.919 ( 3.256 8.860 0.000) 9.440 14.026 ( -5.196 -3.093 0.000) 6.047 14.080 ( -0.812 0.072 0.000) 0.815 14.990 ( 0.596 -2.706 0.000) 2.771 15.002 ( 1.265 -1.988 0.000) 2.356 15.198 ( 0.401 1.842 0.000) 1.885 15.248 ( 2.606 1.380 0.000) 2.949 15.519 ( -3.534 -1.426 0.000) 3.811 15.575 ( -1.227 -1.248 -0.000) 1.750 15.971 ( -2.529 0.029 0.000) 2.529 15.975 ( -2.176 0.010 -0.000) 2.176 ======================= Grid point 157 (53/60) ======================= q-point: ( 0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.758 ( 3.015 -0.864 0.000) 3.136 0.782 ( 2.749 0.505 0.000) 2.795 0.861 ( 1.939 -1.331 -0.000) 2.352 0.927 ( -1.440 -2.324 0.000) 2.735 0.977 ( -0.099 2.281 0.000) 2.283 1.004 ( 1.420 1.650 -0.000) 2.177 1.100 ( 5.888 -3.506 0.000) 6.852 1.109 ( -0.578 -2.990 -0.000) 3.045 1.162 ( -2.015 -0.896 0.000) 2.205 1.247 ( 1.147 -4.866 0.000) 5.000 1.268 ( 1.499 3.143 0.000) 3.482 1.293 ( -3.446 1.296 0.000) 3.682 1.426 ( -4.450 -1.280 0.000) 4.631 1.441 ( -1.927 0.371 0.000) 1.963 1.453 ( 1.624 -2.658 0.000) 3.115 1.459 ( -1.365 1.505 -0.000) 2.032 1.487 ( -1.640 4.247 0.000) 4.553 1.488 ( -1.878 3.620 -0.000) 4.078 1.583 ( 1.174 -2.508 0.000) 2.770 1.610 ( 0.441 -2.672 -0.000) 2.708 1.642 ( 1.156 0.039 0.000) 1.157 1.655 ( -0.413 5.392 0.000) 5.408 1.726 ( 0.046 3.041 0.000) 3.041 1.769 ( -2.298 -1.685 0.000) 2.849 1.803 ( -0.255 -1.061 0.000) 1.091 1.846 ( -2.592 -1.701 0.000) 3.100 1.858 ( -0.829 -1.050 0.000) 1.338 1.867 ( -1.619 -1.363 0.000) 2.117 1.910 ( -3.037 -2.825 0.000) 4.148 1.938 ( -2.420 -1.319 0.000) 2.757 1.953 ( 1.557 -1.446 0.000) 2.125 2.013 ( 0.016 -1.530 0.000) 1.530 2.058 ( 3.729 1.663 -0.000) 4.083 2.061 ( 0.121 1.509 0.000) 1.514 2.090 ( 0.004 0.453 0.000) 0.453 2.115 ( 0.881 -0.556 0.000) 1.041 2.145 ( -1.075 0.934 0.000) 1.424 2.156 ( -1.734 0.395 0.000) 1.779 2.231 ( -1.407 -1.080 0.000) 1.773 2.267 ( -1.204 -2.614 0.000) 2.878 2.298 ( 2.719 -1.258 0.000) 2.996 2.329 ( 2.669 -1.630 0.000) 3.128 2.398 ( -2.336 5.118 0.000) 5.626 2.423 ( 0.037 1.145 -0.000) 1.145 2.435 ( -0.226 4.560 0.000) 4.566 2.437 ( 0.851 -1.053 0.000) 1.354 2.565 ( -1.240 4.928 0.000) 5.082 2.625 ( 0.194 3.246 0.000) 3.252 2.665 ( 0.032 1.214 0.000) 1.215 2.676 ( -0.979 0.137 0.000) 0.988 2.784 ( 0.841 -0.245 0.000) 0.876 2.837 ( 2.580 0.120 0.000) 2.583 2.871 ( 3.217 -2.714 -0.000) 4.209 2.880 ( 0.940 -2.338 0.000) 2.520 2.917 ( 4.643 -1.083 -0.000) 4.767 2.953 ( 3.933 -2.113 0.000) 4.465 2.969 ( -1.924 -0.942 0.000) 2.142 3.019 ( -2.011 -2.547 0.000) 3.246 3.071 ( -2.303 6.233 0.000) 6.645 3.080 ( -1.825 2.911 -0.000) 3.436 3.167 ( 4.159 2.923 0.000) 5.083 3.270 ( -1.897 -2.413 0.000) 3.069 3.287 ( -0.176 2.132 0.000) 2.139 3.396 ( -0.252 -0.204 0.000) 0.324 3.596 ( -3.140 -1.827 0.000) 3.633 3.598 ( -4.304 -0.698 -0.000) 4.360 3.698 ( -0.987 2.601 0.000) 2.782 3.707 ( -2.335 0.861 0.000) 2.489 4.023 ( -0.119 -5.759 0.000) 5.760 4.126 ( 0.476 -0.138 -0.000) 0.496 4.131 ( 0.879 -1.671 0.000) 1.888 4.209 ( 4.245 -3.060 0.000) 5.233 4.326 ( 2.207 -1.240 -0.000) 2.531 4.350 ( 3.276 -1.767 0.000) 3.722 4.366 ( -0.595 0.054 0.000) 0.598 4.451 ( -3.635 -4.557 0.000) 5.829 4.493 ( 3.141 3.228 0.000) 4.504 4.581 ( 3.171 1.978 0.000) 3.737 4.642 ( -2.312 5.699 0.000) 6.150 4.717 ( -2.659 2.438 0.000) 3.608 5.044 ( 0.981 1.013 -0.000) 1.411 5.045 ( 0.948 0.704 0.000) 1.181 5.159 ( -6.844 -1.137 0.000) 6.938 5.168 ( -6.272 -1.016 0.000) 6.353 6.970 ( 3.714 -1.059 0.000) 3.862 6.996 ( 2.857 -1.102 0.000) 3.062 7.162 ( -0.273 -0.809 0.000) 0.854 7.259 ( 3.067 -4.590 0.000) 5.521 7.311 ( -0.568 4.323 0.000) 4.360 7.569 ( 3.690 2.654 0.000) 4.545 7.650 ( 2.078 -3.403 0.000) 3.987 7.799 ( 3.605 -1.252 0.000) 3.816 10.263 ( 0.136 -0.000 0.000) 0.136 10.271 ( 0.525 -0.001 0.000) 0.525 10.657 ( -8.404 -1.423 0.000) 8.524 10.679 ( -8.042 -1.706 0.000) 8.221 10.951 ( -4.270 4.085 0.000) 5.910 10.968 ( -0.371 5.530 -0.000) 5.542 11.100 ( 0.721 -1.382 -0.000) 1.559 11.164 ( 5.087 0.050 0.000) 5.087 11.354 ( 6.464 -1.453 -0.000) 6.625 11.378 ( 5.106 -1.148 0.000) 5.234 11.861 ( -4.861 1.023 0.000) 4.968 11.869 ( -2.911 0.992 0.000) 3.075 12.927 ( 1.201 -0.879 0.000) 1.488 12.980 ( 1.962 0.532 0.000) 2.033 13.017 ( -3.431 -4.336 0.000) 5.529 13.049 ( 0.701 -2.001 0.000) 2.120 13.137 ( -1.718 1.634 0.000) 2.371 13.248 ( -0.804 2.182 0.000) 2.325 13.278 ( -4.277 -3.894 -0.000) 5.784 13.289 ( 1.300 -0.490 0.000) 1.389 13.413 ( -0.813 3.576 0.000) 3.667 13.485 ( 2.018 0.903 0.000) 2.211 13.515 ( 1.960 -0.677 0.000) 2.074 13.530 ( -6.709 0.869 0.000) 6.765 13.595 ( -2.800 -0.829 -0.000) 2.920 13.603 ( 0.387 -2.815 0.000) 2.842 13.661 ( -3.030 -2.904 -0.000) 4.197 13.678 ( 0.683 -2.680 0.000) 2.766 13.826 ( -2.992 2.498 0.000) 3.897 13.899 ( -4.956 -1.867 0.000) 5.296 13.992 ( 2.358 12.608 0.000) 12.827 14.096 ( 2.220 6.971 0.000) 7.316 15.008 ( 1.219 -6.416 0.000) 6.531 15.037 ( 2.373 -4.835 -0.000) 5.386 15.222 ( 2.019 1.101 0.000) 2.300 15.297 ( 2.010 -0.109 0.000) 2.013 15.448 ( -3.371 -2.444 0.000) 4.164 15.529 ( -3.383 -2.232 -0.000) 4.053 15.911 ( -3.381 2.988 -0.000) 4.512 15.925 ( -2.591 2.844 0.000) 3.847 ======================= Grid point 159 (54/60) ======================= q-point: ( 0.38 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.831 ( 4.095 -0.852 0.000) 4.182 0.831 ( 2.001 0.985 0.000) 2.230 0.887 ( -0.016 -0.486 -0.000) 0.487 0.905 ( -0.545 -1.085 0.000) 1.215 0.954 ( -0.729 1.303 0.000) 1.493 1.003 ( -1.096 0.951 0.000) 1.451 1.103 ( -0.382 0.108 0.000) 0.397 1.149 ( -1.699 -0.719 0.000) 1.844 1.178 ( 2.709 -4.356 0.000) 5.129 1.243 ( -0.760 -3.758 0.000) 3.834 1.259 ( 2.043 1.704 0.000) 2.660 1.289 ( -1.809 0.612 0.000) 1.909 1.384 ( -3.060 0.692 0.000) 3.137 1.401 ( 2.065 0.541 0.000) 2.134 1.419 ( -2.225 1.415 -0.000) 2.636 1.443 ( -2.339 2.891 0.000) 3.719 1.478 ( 1.462 2.320 -0.000) 2.742 1.525 ( 3.399 -2.320 0.000) 4.115 1.592 ( 0.311 -0.053 0.000) 0.316 1.612 ( -0.452 -0.534 -0.000) 0.700 1.646 ( -0.523 4.820 0.000) 4.848 1.653 ( -0.031 0.692 -0.000) 0.692 1.716 ( -1.314 3.044 0.000) 3.316 1.717 ( -2.689 0.233 -0.000) 2.699 1.784 ( -2.121 0.031 0.000) 2.121 1.790 ( -0.762 -1.256 0.000) 1.469 1.837 ( -2.481 -3.083 0.000) 3.957 1.848 ( -1.888 -6.158 -0.000) 6.441 1.870 ( 0.124 -3.572 -0.000) 3.574 1.893 ( 0.081 -3.590 0.000) 3.591 1.999 ( 2.083 -2.176 0.000) 3.012 2.014 ( 0.269 -2.248 0.000) 2.264 2.048 ( -1.445 2.471 0.000) 2.863 2.056 ( -2.384 3.079 0.000) 3.894 2.112 ( -1.009 -0.469 0.000) 1.112 2.115 ( -0.287 -0.041 -0.000) 0.290 2.147 ( -0.041 -1.000 0.000) 1.001 2.156 ( 2.947 -0.946 -0.000) 3.095 2.217 ( 0.782 -0.216 0.000) 0.811 2.244 ( -1.129 -1.651 0.000) 2.000 2.342 ( 0.852 2.495 0.000) 2.637 2.366 ( 0.042 3.758 -0.000) 3.758 2.367 ( 1.050 1.713 0.000) 2.010 2.415 ( -0.783 2.072 -0.000) 2.215 2.422 ( -0.809 4.210 0.000) 4.287 2.459 ( 1.458 -0.893 0.000) 1.710 2.540 ( -1.290 5.346 0.000) 5.500 2.619 ( -0.593 3.422 0.000) 3.473 2.669 ( 0.317 0.619 0.000) 0.696 2.673 ( 1.056 -0.316 -0.000) 1.102 2.797 ( 0.715 -2.459 0.000) 2.561 2.839 ( -3.374 -1.413 0.000) 3.658 2.875 ( 0.011 -3.690 0.000) 3.690 2.882 ( -3.328 -2.543 0.000) 4.188 2.922 ( 1.635 1.123 0.000) 1.983 2.952 ( 0.025 1.379 0.000) 1.379 3.030 ( -2.177 6.781 0.000) 7.122 3.053 ( 2.004 2.663 -0.000) 3.333 3.094 ( 6.442 -0.062 0.000) 6.443 3.107 ( 5.683 -3.016 0.000) 6.434 3.179 ( 1.613 0.439 -0.000) 1.672 3.279 ( -0.675 2.656 0.000) 2.740 3.336 ( 2.278 -2.348 0.000) 3.272 3.378 ( -2.784 -2.705 0.000) 3.882 3.524 ( -2.635 -2.125 0.000) 3.385 3.555 ( -0.324 -5.464 0.000) 5.474 3.684 ( -0.693 1.152 0.000) 1.344 3.688 ( 2.090 -0.502 0.000) 2.149 4.010 ( -0.755 -0.030 0.000) 0.755 4.116 ( -3.646 -1.410 0.000) 3.909 4.147 ( 1.649 -1.568 0.000) 2.275 4.253 ( 0.445 -1.026 0.000) 1.119 4.347 ( -1.285 -0.388 -0.000) 1.342 4.354 ( 0.520 -0.427 0.000) 0.673 4.380 ( -1.442 -2.495 0.000) 2.882 4.406 ( 2.146 -1.711 0.000) 2.744 4.556 ( 2.431 5.843 0.000) 6.328 4.623 ( 0.730 5.474 -0.000) 5.523 4.654 ( 2.810 1.943 0.000) 3.417 4.707 ( 1.617 1.149 0.000) 1.984 5.023 ( -6.065 -0.544 0.000) 6.089 5.032 ( -4.980 -0.401 0.000) 4.997 5.047 ( -0.696 -1.064 -0.000) 1.271 5.058 ( -1.482 -0.993 0.000) 1.784 7.033 ( 2.767 -2.083 0.000) 3.464 7.038 ( 1.524 -1.650 0.000) 2.246 7.146 ( -1.358 0.048 0.000) 1.359 7.254 ( -1.392 -3.663 0.000) 3.918 7.361 ( 3.104 5.278 0.000) 6.123 7.618 ( 1.609 8.015 0.000) 8.175 7.706 ( 2.797 -7.821 0.000) 8.306 7.858 ( 2.266 -1.806 0.000) 2.898 10.268 ( 0.493 0.113 -0.000) 0.506 10.291 ( 1.754 0.235 0.000) 1.770 10.496 ( -7.573 -2.259 0.000) 7.903 10.533 ( -6.280 -2.303 0.000) 6.689 10.882 ( -2.500 4.903 0.000) 5.503 10.960 ( -0.289 8.889 0.000) 8.893 11.128 ( 1.692 -5.111 -0.000) 5.383 11.260 ( 4.239 -0.671 0.000) 4.292 11.453 ( 2.254 -0.669 0.000) 2.351 11.490 ( 7.111 -1.874 0.000) 7.354 11.750 ( -6.256 1.416 0.000) 6.414 11.829 ( -0.953 0.831 0.000) 1.265 12.916 ( -3.577 -5.167 0.000) 6.284 12.952 ( 1.224 -4.883 0.000) 5.034 13.052 ( 0.632 2.003 0.000) 2.100 13.069 ( 1.129 -0.580 0.000) 1.270 13.113 ( 1.324 -0.843 0.000) 1.570 13.153 ( -5.502 0.076 0.000) 5.503 13.240 ( -1.677 -0.279 0.000) 1.700 13.307 ( 0.074 1.218 0.000) 1.220 13.396 ( -0.616 6.446 0.000) 6.476 13.397 ( -5.435 0.570 0.000) 5.465 13.529 ( 1.754 -0.136 0.000) 1.759 13.539 ( -0.750 -3.835 0.000) 3.908 13.566 ( 1.256 -1.229 -0.000) 1.757 13.610 ( -0.301 -1.675 0.000) 1.702 13.622 ( -1.630 -1.226 -0.000) 2.040 13.667 ( -1.112 -2.513 0.000) 2.748 13.771 ( -2.095 1.359 0.000) 2.497 13.838 ( -1.263 -3.570 0.000) 3.787 14.033 ( 1.600 16.968 0.000) 17.044 14.141 ( 1.914 10.495 0.000) 10.668 15.032 ( 1.118 -9.608 0.000) 9.673 15.092 ( 3.168 -8.513 -0.000) 9.083 15.275 ( 3.304 -0.091 0.000) 3.305 15.295 ( -2.405 0.306 0.000) 2.424 15.417 ( 0.346 -5.485 0.000) 5.496 15.452 ( -4.329 -3.512 0.000) 5.574 15.851 ( -2.437 6.777 0.000) 7.202 15.883 ( -1.643 5.790 0.000) 6.019 ======================= Grid point 161 (55/60) ======================= q-point: (-0.50 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( 0.000 3.246 0.000) 3.246 0.872 ( 0.000 3.981 0.000) 3.981 0.889 ( 0.000 -4.985 0.000) 4.985 0.898 ( 0.000 -2.815 -0.000) 2.815 0.954 ( 0.000 -0.418 0.000) 0.418 0.991 ( 0.000 -0.865 0.000) 0.865 1.092 ( 0.000 2.925 0.000) 2.925 1.117 ( 0.000 1.985 0.000) 1.985 1.218 ( 0.000 -4.510 0.000) 4.510 1.229 ( -0.000 -1.214 0.000) 1.214 1.270 ( 0.000 -3.127 0.000) 3.127 1.317 ( 0.000 3.982 0.000) 3.982 1.324 ( -0.000 -2.651 0.000) 2.651 1.380 ( 0.000 1.702 0.000) 1.702 1.414 ( 0.000 1.451 0.000) 1.451 1.426 ( 0.000 1.596 -0.000) 1.596 1.539 ( 0.000 -0.114 0.000) 0.114 1.551 ( 0.000 2.380 0.000) 2.380 1.580 ( 0.000 1.924 0.000) 1.924 1.595 ( 0.000 -1.959 0.000) 1.959 1.649 ( 0.000 3.444 0.000) 3.444 1.670 ( 0.000 4.171 0.000) 4.171 1.672 ( -0.000 1.822 0.000) 1.822 1.697 ( 0.000 -0.329 -0.000) 0.329 1.764 ( 0.000 0.276 0.000) 0.276 1.782 ( 0.000 -1.079 0.000) 1.079 1.796 ( 0.000 -4.677 0.000) 4.677 1.838 ( 0.000 -6.039 -0.000) 6.039 1.866 ( 0.000 -3.666 0.000) 3.666 1.913 ( 0.000 -3.123 0.000) 3.123 2.018 ( 0.000 2.250 0.000) 2.250 2.023 ( -0.000 -3.111 -0.000) 3.111 2.024 ( 0.000 2.372 0.000) 2.372 2.029 ( 0.000 -4.288 0.000) 4.288 2.094 ( 0.000 -2.794 -0.000) 2.794 2.103 ( 0.000 1.009 0.000) 1.009 2.145 ( 0.000 0.475 0.000) 0.475 2.211 ( -0.000 -0.589 0.000) 0.589 2.216 ( 0.000 -2.096 0.000) 2.096 2.234 ( 0.000 -0.800 0.000) 0.800 2.339 ( 0.000 6.358 0.000) 6.358 2.375 ( 0.000 3.702 0.000) 3.702 2.386 ( 0.000 -0.718 -0.000) 0.718 2.398 ( 0.000 4.663 0.000) 4.663 2.413 ( 0.000 4.315 0.000) 4.315 2.484 ( 0.000 -1.625 0.000) 1.625 2.518 ( 0.000 5.792 0.000) 5.792 2.611 ( 0.000 3.296 0.000) 3.296 2.673 ( 0.000 0.558 0.000) 0.558 2.702 ( 0.000 1.839 0.000) 1.839 2.780 ( 0.000 -4.893 0.000) 4.893 2.811 ( 0.000 -1.975 0.000) 1.975 2.838 ( 0.000 -4.561 -0.000) 4.561 2.876 ( 0.000 -3.814 0.000) 3.814 2.938 ( 0.000 2.799 0.000) 2.799 2.958 ( 0.000 7.114 0.000) 7.114 3.002 ( 0.000 2.123 0.000) 2.123 3.065 ( 0.000 5.301 -0.000) 5.301 3.154 ( 0.000 -1.979 0.000) 1.979 3.221 ( 0.000 -0.902 0.000) 0.902 3.249 ( -0.000 0.582 -0.000) 0.582 3.258 ( 0.000 0.774 0.000) 0.774 3.301 ( 0.000 -2.497 0.000) 2.497 3.316 ( 0.000 -1.527 -0.000) 1.527 3.498 ( 0.000 -3.859 0.000) 3.859 3.565 ( 0.000 -10.907 0.000) 10.907 3.672 ( 0.000 0.834 0.000) 0.834 3.755 ( 0.000 -4.111 0.000) 4.111 4.003 ( 0.000 5.852 0.000) 5.852 4.037 ( 0.000 3.304 0.000) 3.304 4.171 ( 0.000 -2.999 0.000) 2.999 4.257 ( 0.000 0.012 0.000) 0.012 4.329 ( 0.000 -0.562 0.000) 0.562 4.366 ( -0.000 -4.658 0.000) 4.658 4.368 ( 0.000 1.272 0.000) 1.272 4.428 ( 0.000 -1.967 0.000) 1.967 4.577 ( 0.000 6.219 0.000) 6.219 4.627 ( 0.000 6.456 0.000) 6.456 4.699 ( 0.000 0.242 0.000) 0.242 4.732 ( 0.000 0.245 0.000) 0.245 4.955 ( 0.000 0.630 0.000) 0.630 4.961 ( 0.000 0.765 0.000) 0.765 5.038 ( 0.000 -2.319 0.000) 2.319 5.051 ( 0.000 -2.070 0.000) 2.070 7.053 ( 0.000 -1.819 0.000) 1.819 7.067 ( 0.000 -3.568 0.000) 3.568 7.124 ( 0.000 1.553 0.000) 1.553 7.239 ( 0.000 -2.550 0.000) 2.550 7.393 ( 0.000 4.837 0.000) 4.837 7.635 ( 0.000 8.672 0.000) 8.672 7.736 ( 0.000 -8.224 0.000) 8.224 7.881 ( 0.000 -2.036 0.000) 2.036 10.277 ( 0.000 0.500 0.000) 0.500 10.331 ( 0.000 2.739 0.000) 2.739 10.397 ( 0.000 -5.073 0.000) 5.073 10.465 ( 0.000 -2.969 0.000) 2.969 10.858 ( 0.000 5.328 0.000) 5.328 10.958 ( 0.000 10.298 0.000) 10.298 11.148 ( 0.000 -7.163 0.000) 7.163 11.306 ( 0.000 -1.837 0.000) 1.837 11.471 ( 0.000 0.851 0.000) 0.851 11.623 ( 0.000 7.315 0.000) 7.315 11.625 ( -0.000 -7.005 0.000) 7.005 11.824 ( 0.000 -0.052 0.000) 0.052 12.879 ( 0.000 -4.878 0.000) 4.878 12.968 ( 0.000 -7.359 0.000) 7.359 13.042 ( 0.000 1.563 0.000) 1.563 13.085 ( -0.000 -0.700 0.000) 0.700 13.085 ( 0.000 2.263 0.000) 2.263 13.151 ( 0.000 -1.310 0.000) 1.310 13.221 ( 0.000 -0.413 -0.000) 0.413 13.301 ( 0.000 -0.101 0.000) 0.101 13.338 ( -0.000 2.218 0.000) 2.218 13.391 ( 0.000 7.578 0.000) 7.578 13.534 ( 0.000 -5.909 0.000) 5.909 13.551 ( 0.000 0.825 0.000) 0.825 13.576 ( 0.000 1.332 0.000) 1.332 13.598 ( 0.000 -1.764 0.000) 1.764 13.605 ( 0.000 -2.159 0.000) 2.159 13.657 ( 0.000 -2.772 0.000) 2.772 13.752 ( 0.000 1.219 0.000) 1.219 13.830 ( 0.000 -4.229 0.000) 4.229 14.049 ( 0.000 18.463 0.000) 18.463 14.161 ( 0.000 11.578 0.000) 11.578 15.045 ( 0.000 -10.739 0.000) 10.739 15.136 ( 0.000 -12.653 0.000) 12.653 15.255 ( 0.000 3.254 0.000) 3.254 15.331 ( 0.000 0.528 0.000) 0.528 15.385 ( 0.000 -5.407 0.000) 5.407 15.426 ( 0.000 -7.436 0.000) 7.436 15.826 ( 0.000 8.867 0.000) 8.867 15.866 ( 0.000 7.062 0.000) 7.062 ======================= Grid point 171 (56/60) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.738 ( 0.000 0.000 0.000) 0.000 0.738 ( 0.000 -0.000 0.000) 0.000 0.804 ( 0.000 0.000 0.000) 0.000 0.804 ( 0.000 0.000 0.000) 0.000 0.857 ( 0.000 0.000 0.000) 0.000 0.857 ( 0.000 -0.000 0.000) 0.000 1.100 ( 0.000 0.000 0.000) 0.000 1.100 ( 0.000 0.000 0.000) 0.000 1.160 ( 0.000 -0.000 0.000) 0.000 1.160 ( 0.000 0.000 0.000) 0.000 1.412 ( 0.000 0.000 0.000) 0.000 1.412 ( 0.000 0.000 0.000) 0.000 1.419 ( 0.000 -0.000 0.000) 0.000 1.419 ( 0.000 -0.000 0.000) 0.000 1.507 ( 0.000 0.000 0.000) 0.000 1.507 ( 0.000 0.000 0.000) 0.000 1.576 ( 0.000 -0.000 0.000) 0.000 1.576 ( 0.000 0.000 0.000) 0.000 1.587 ( 0.000 -0.000 -0.000) 0.000 1.587 ( 0.000 0.000 -0.000) 0.000 1.656 ( 0.000 0.000 0.000) 0.000 1.656 ( 0.000 0.000 0.000) 0.000 1.700 ( 0.000 0.000 0.000) 0.000 1.700 ( 0.000 0.000 0.000) 0.000 1.871 ( 0.000 -0.000 0.000) 0.000 1.871 ( 0.000 0.000 0.000) 0.000 1.890 ( 0.000 0.000 0.000) 0.000 1.890 ( 0.000 0.000 -0.000) 0.000 1.924 ( 0.000 0.000 0.000) 0.000 1.924 ( 0.000 0.000 0.000) 0.000 1.984 ( 0.000 -0.000 0.000) 0.000 1.984 ( 0.000 0.000 0.000) 0.000 2.072 ( 0.000 0.000 0.000) 0.000 2.072 ( 0.000 0.000 0.000) 0.000 2.116 ( 0.000 -0.000 0.000) 0.000 2.116 ( 0.000 0.000 0.000) 0.000 2.136 ( 0.000 0.000 0.000) 0.000 2.136 ( 0.000 0.000 0.000) 0.000 2.238 ( 0.000 -0.000 0.000) 0.000 2.238 ( 0.000 0.000 0.000) 0.000 2.243 ( 0.000 -0.000 -0.000) 0.000 2.243 ( 0.000 0.000 -0.000) 0.000 2.402 ( 0.000 0.000 0.000) 0.000 2.402 ( 0.000 0.000 0.000) 0.000 2.515 ( 0.000 0.000 0.000) 0.000 2.515 ( 0.000 0.000 0.000) 0.000 2.558 ( 0.000 0.000 0.000) 0.000 2.558 ( 0.000 -0.000 0.000) 0.000 2.724 ( 0.000 -0.000 -0.000) 0.000 2.724 ( 0.000 -0.000 0.000) 0.000 2.739 ( 0.000 0.000 -0.000) 0.000 2.739 ( 0.000 0.000 0.000) 0.000 2.777 ( 0.000 0.000 0.000) 0.000 2.777 ( 0.000 0.000 0.000) 0.000 2.825 ( 0.000 0.000 0.000) 0.000 2.825 ( 0.000 -0.000 0.000) 0.000 3.099 ( 0.000 0.000 0.000) 0.000 3.099 ( 0.000 0.000 0.000) 0.000 3.158 ( 0.000 0.000 0.000) 0.000 3.158 ( 0.000 -0.000 0.000) 0.000 3.235 ( 0.000 -0.000 0.000) 0.000 3.235 ( 0.000 0.000 0.000) 0.000 3.418 ( 0.000 -0.000 0.000) 0.000 3.418 ( 0.000 0.000 0.000) 0.000 3.728 ( 0.000 0.000 0.000) 0.000 3.728 ( 0.000 0.000 0.000) 0.000 3.798 ( 0.000 0.000 0.000) 0.000 3.798 ( 0.000 0.000 0.000) 0.000 3.945 ( 0.000 -0.000 0.000) 0.000 3.945 ( 0.000 0.000 0.000) 0.000 4.154 ( 0.000 0.000 -0.000) 0.000 4.154 ( 0.000 0.000 0.000) 0.000 4.170 ( 0.000 -0.000 -0.000) 0.000 4.170 ( 0.000 0.000 0.000) 0.000 4.429 ( 0.000 -0.000 -0.000) 0.000 4.429 ( 0.000 0.000 0.000) 0.000 4.450 ( 0.000 0.000 0.000) 0.000 4.450 ( 0.000 0.000 0.000) 0.000 4.824 ( 0.000 -0.000 0.000) 0.000 4.824 ( 0.000 0.000 0.000) 0.000 5.051 ( 0.000 0.000 0.000) 0.000 5.051 ( 0.000 0.000 0.000) 0.000 5.281 ( 0.000 0.000 0.000) 0.000 5.281 ( 0.000 0.000 0.000) 0.000 6.888 ( 0.000 0.000 0.000) 0.000 6.888 ( 0.000 0.000 0.000) 0.000 7.128 ( 0.000 0.000 0.000) 0.000 7.128 ( 0.000 0.000 0.000) 0.000 7.364 ( 0.000 0.000 0.000) 0.000 7.364 ( 0.000 0.000 0.000) 0.000 7.675 ( 0.000 0.000 0.000) 0.000 7.675 ( 0.000 0.000 0.000) 0.000 10.260 ( 0.000 0.000 0.000) 0.000 10.260 ( 0.000 0.000 0.000) 0.000 10.914 ( 0.000 -0.000 -0.000) 0.000 10.914 ( 0.000 0.000 0.000) 0.000 10.920 ( 0.000 0.000 0.000) 0.000 10.920 ( 0.000 0.000 0.000) 0.000 11.173 ( 0.000 0.000 0.000) 0.000 11.173 ( 0.000 0.000 0.000) 0.000 11.226 ( 0.000 0.000 0.000) 0.000 11.226 ( 0.000 0.000 0.000) 0.000 11.946 ( 0.000 0.000 0.000) 0.000 11.946 ( 0.000 0.000 0.000) 0.000 12.996 ( 0.000 -0.000 0.000) 0.000 12.996 ( 0.000 -0.000 0.000) 0.000 13.024 ( 0.000 0.000 0.000) 0.000 13.024 ( 0.000 0.000 0.000) 0.000 13.177 ( 0.000 0.000 0.000) 0.000 13.177 ( 0.000 0.000 0.000) 0.000 13.269 ( 0.000 0.000 0.000) 0.000 13.269 ( 0.000 0.000 0.000) 0.000 13.423 ( 0.000 0.000 0.000) 0.000 13.423 ( 0.000 0.000 0.000) 0.000 13.527 ( 0.000 0.000 0.000) 0.000 13.527 ( 0.000 0.000 0.000) 0.000 13.578 ( 0.000 0.000 0.000) 0.000 13.578 ( 0.000 0.000 0.000) 0.000 13.881 ( 0.000 -0.000 0.000) 0.000 13.881 ( 0.000 0.000 0.000) 0.000 13.946 ( 0.000 -0.000 -0.000) 0.000 13.946 ( 0.000 0.000 0.000) 0.000 14.007 ( 0.000 0.000 0.000) 0.000 14.007 ( 0.000 0.000 0.000) 0.000 14.971 ( 0.000 -0.000 0.000) 0.000 14.971 ( 0.000 0.000 0.000) 0.000 15.238 ( 0.000 -0.000 0.000) 0.000 15.238 ( 0.000 0.000 0.000) 0.000 15.556 ( 0.000 -0.000 0.000) 0.000 15.556 ( 0.000 0.000 0.000) 0.000 15.983 ( 0.000 0.000 0.000) 0.000 15.983 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 175 (57/60) ======================= q-point: ( 0.12 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( 0.628 -1.288 0.000) 1.433 0.746 ( 0.628 1.288 0.000) 1.433 0.817 ( 1.867 -2.497 0.000) 3.118 0.817 ( 1.867 2.497 0.000) 3.118 0.922 ( 5.851 -0.192 0.000) 5.854 0.922 ( 5.851 0.192 0.000) 5.854 1.087 ( -1.262 -3.152 0.000) 3.395 1.087 ( -1.262 3.152 0.000) 3.395 1.166 ( 0.179 -1.275 0.000) 1.288 1.166 ( 0.179 1.275 0.000) 1.288 1.346 ( -3.144 -2.150 0.000) 3.808 1.346 ( -3.144 2.150 0.000) 3.808 1.452 ( -0.481 -1.735 0.000) 1.800 1.452 ( -0.481 1.735 0.000) 1.800 1.497 ( -1.542 -2.829 0.000) 3.223 1.497 ( -1.542 2.829 0.000) 3.223 1.520 ( -0.705 -0.364 0.000) 0.793 1.520 ( -0.705 0.364 0.000) 0.793 1.603 ( -2.166 -1.009 0.000) 2.390 1.603 ( -2.166 1.009 0.000) 2.390 1.654 ( 1.857 -5.479 0.000) 5.785 1.654 ( 1.857 5.479 0.000) 5.785 1.734 ( 1.524 -1.478 0.000) 2.123 1.734 ( 1.524 1.478 0.000) 2.123 1.852 ( -1.917 -0.257 0.000) 1.934 1.852 ( -1.917 0.257 0.000) 1.934 1.901 ( 1.264 -1.546 0.000) 1.997 1.901 ( 1.264 1.546 0.000) 1.997 1.912 ( -1.732 -0.170 0.000) 1.740 1.912 ( -1.732 0.170 0.000) 1.740 1.978 ( -1.273 -0.445 0.000) 1.349 1.978 ( -1.273 0.445 0.000) 1.349 2.051 ( 0.591 -1.515 0.000) 1.626 2.051 ( 0.591 1.515 0.000) 1.626 2.099 ( -1.398 -0.524 0.000) 1.493 2.099 ( -1.398 0.524 0.000) 1.493 2.175 ( 1.330 -0.227 0.000) 1.349 2.175 ( 1.330 0.227 0.000) 1.349 2.220 ( 0.373 -0.935 0.000) 1.006 2.220 ( 0.373 0.935 0.000) 1.006 2.263 ( 0.714 -0.733 -0.000) 1.024 2.263 ( 0.714 0.733 -0.000) 1.024 2.406 ( 0.508 -0.087 0.000) 0.515 2.406 ( 0.508 0.087 0.000) 0.515 2.516 ( -0.202 -1.161 0.000) 1.179 2.516 ( -0.202 1.161 0.000) 1.179 2.578 ( 1.620 -0.713 0.000) 1.770 2.578 ( 1.620 0.713 0.000) 1.770 2.737 ( 0.582 -2.607 -0.000) 2.671 2.737 ( 0.582 2.607 0.000) 2.671 2.758 ( 1.468 -3.448 0.000) 3.748 2.758 ( 1.468 3.448 0.000) 3.748 2.786 ( 1.718 -1.393 0.000) 2.212 2.786 ( 1.718 1.393 -0.000) 2.212 2.844 ( 2.319 -0.444 0.000) 2.361 2.844 ( 2.319 0.444 0.000) 2.361 3.056 ( -4.222 -1.330 0.000) 4.426 3.056 ( -4.222 1.330 0.000) 4.426 3.156 ( -0.707 -1.221 0.000) 1.411 3.156 ( -0.707 1.221 0.000) 1.411 3.220 ( -0.169 -6.054 0.000) 6.057 3.220 ( -0.169 6.054 0.000) 6.057 3.389 ( -2.872 -2.574 0.000) 3.857 3.389 ( -2.872 2.574 0.000) 3.857 3.678 ( -4.323 -0.056 0.000) 4.323 3.678 ( -4.323 0.056 -0.000) 4.323 3.779 ( -2.190 -0.095 0.000) 2.193 3.779 ( -2.190 0.095 0.000) 2.193 3.968 ( 2.345 -4.638 0.000) 5.197 3.968 ( 2.345 4.638 0.000) 5.197 4.137 ( 0.099 -0.624 0.000) 0.631 4.137 ( 0.099 0.624 0.000) 0.631 4.242 ( 4.708 -0.583 0.000) 4.744 4.242 ( 4.708 0.583 0.000) 4.744 4.410 ( -1.148 -2.648 0.000) 2.886 4.410 ( -1.148 2.648 -0.000) 2.886 4.492 ( 3.381 -2.755 0.000) 4.361 4.492 ( 3.381 2.755 0.000) 4.361 4.785 ( -3.367 -1.025 0.000) 3.520 4.785 ( -3.367 1.025 0.000) 3.520 5.060 ( 0.583 -0.027 0.000) 0.583 5.060 ( 0.583 0.027 0.000) 0.583 5.244 ( -3.692 -0.004 0.000) 3.692 5.244 ( -3.692 0.004 0.000) 3.692 6.915 ( 2.475 -1.170 0.000) 2.738 6.915 ( 2.475 1.170 0.000) 2.738 7.150 ( 1.744 -0.964 0.000) 1.993 7.150 ( 1.744 0.964 0.000) 1.993 7.386 ( 2.236 -4.435 0.000) 4.967 7.386 ( 2.236 4.435 0.000) 4.967 7.691 ( 1.585 -2.799 0.000) 3.216 7.691 ( 1.585 2.799 0.000) 3.216 10.263 ( 0.222 -0.126 0.000) 0.255 10.263 ( 0.222 0.126 0.000) 0.255 10.801 ( -6.872 -0.530 0.000) 6.893 10.801 ( -6.872 0.530 0.000) 6.893 11.010 ( 4.334 -2.107 -0.000) 4.819 11.010 ( 4.334 2.107 0.000) 4.819 11.117 ( -3.919 -1.216 0.000) 4.104 11.117 ( -3.919 1.216 0.000) 4.104 11.273 ( 3.504 -0.706 0.000) 3.575 11.273 ( 3.504 0.706 0.000) 3.575 11.929 ( -1.783 -0.297 0.000) 1.808 11.929 ( -1.783 0.297 0.000) 1.808 12.972 ( -0.736 -0.929 0.000) 1.185 12.972 ( -0.736 0.929 0.000) 1.185 13.020 ( -2.112 -1.464 0.000) 2.569 13.020 ( -2.112 1.464 0.000) 2.569 13.200 ( 2.892 -3.794 0.000) 4.770 13.200 ( 2.892 3.794 0.000) 4.770 13.265 ( -1.125 -0.505 0.000) 1.233 13.265 ( -1.125 0.505 0.000) 1.233 13.435 ( 1.417 -0.442 0.000) 1.484 13.435 ( 1.417 0.442 0.000) 1.484 13.520 ( -0.042 -2.012 0.000) 2.012 13.520 ( -0.042 2.012 0.000) 2.012 13.607 ( 1.904 -0.523 0.000) 1.975 13.607 ( 1.904 0.523 0.000) 1.975 13.758 ( -8.945 -1.782 0.000) 9.121 13.758 ( -8.945 1.782 0.000) 9.121 13.945 ( -3.081 -3.879 0.000) 4.954 13.945 ( -3.081 3.879 0.000) 4.954 14.061 ( 5.397 -3.251 0.000) 6.301 14.061 ( 5.397 3.251 0.000) 6.301 14.959 ( -1.119 -0.766 0.000) 1.356 14.959 ( -1.119 0.766 0.000) 1.356 15.247 ( 0.851 -1.762 0.000) 1.957 15.247 ( 0.851 1.762 0.000) 1.957 15.530 ( -2.554 -2.287 0.000) 3.428 15.530 ( -2.554 2.287 0.000) 3.428 15.974 ( -0.933 -0.125 0.000) 0.941 15.974 ( -0.933 0.125 0.000) 0.941 ======================= Grid point 179 (58/60) ======================= q-point: ( 0.25 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.770 ( 2.135 -1.720 0.000) 2.741 0.770 ( 2.135 1.720 0.000) 2.741 0.867 ( 2.520 -1.805 0.000) 3.100 0.867 ( 2.520 1.805 0.000) 3.100 1.032 ( 1.793 -2.560 0.000) 3.125 1.032 ( 1.793 2.560 0.000) 3.125 1.067 ( 1.694 -2.790 -0.000) 3.264 1.067 ( 1.694 2.790 -0.000) 3.264 1.150 ( -1.352 -1.324 0.000) 1.893 1.150 ( -1.352 1.324 0.000) 1.893 1.326 ( 0.315 -1.053 0.000) 1.099 1.326 ( 0.315 1.053 0.000) 1.099 1.398 ( -2.225 -0.162 0.000) 2.231 1.398 ( -2.225 0.162 0.000) 2.231 1.466 ( -1.469 -2.189 0.000) 2.636 1.466 ( -1.469 2.189 0.000) 2.636 1.528 ( -1.682 -0.975 0.000) 1.944 1.528 ( -1.682 0.975 0.000) 1.944 1.579 ( 1.640 -1.644 0.000) 2.322 1.579 ( 1.640 1.644 0.000) 2.322 1.671 ( -0.333 -4.671 0.000) 4.683 1.671 ( -0.333 4.671 0.000) 4.683 1.751 ( 0.419 -2.924 0.000) 2.954 1.751 ( 0.419 2.924 0.000) 2.954 1.813 ( -1.886 -0.305 0.000) 1.911 1.813 ( -1.886 0.305 0.000) 1.911 1.856 ( -3.378 -0.151 -0.000) 3.381 1.856 ( -3.378 0.151 0.000) 3.381 1.883 ( -3.320 -1.547 0.000) 3.663 1.883 ( -3.320 1.547 0.000) 3.663 1.970 ( 0.447 -1.910 0.000) 1.962 1.970 ( 0.447 1.910 0.000) 1.962 2.087 ( 0.355 -0.150 0.000) 0.386 2.087 ( 0.355 0.150 0.000) 0.386 2.093 ( 2.890 -0.767 0.000) 2.990 2.093 ( 2.890 0.767 0.000) 2.990 2.159 ( -2.098 -0.210 0.000) 2.108 2.159 ( -2.098 0.210 0.000) 2.108 2.232 ( -0.549 -0.997 0.000) 1.139 2.232 ( -0.549 0.997 0.000) 1.139 2.297 ( 3.191 -1.102 0.000) 3.376 2.297 ( 3.191 1.102 0.000) 3.376 2.423 ( 1.128 -0.464 0.000) 1.219 2.423 ( 1.128 0.464 0.000) 1.219 2.496 ( -1.651 -0.823 0.000) 1.845 2.496 ( -1.651 0.823 0.000) 1.845 2.608 ( 1.315 -1.028 0.000) 1.669 2.608 ( 1.315 1.028 0.000) 1.669 2.708 ( -2.215 -1.439 0.000) 2.641 2.708 ( -2.215 1.439 0.000) 2.641 2.799 ( 0.517 -2.397 0.000) 2.452 2.799 ( 0.517 2.397 0.000) 2.452 2.849 ( 5.041 -1.104 0.000) 5.161 2.849 ( 5.041 1.104 0.000) 5.161 2.915 ( 2.851 -0.793 0.000) 2.959 2.915 ( 2.851 0.793 0.000) 2.959 2.965 ( -2.641 -1.244 0.000) 2.919 2.965 ( -2.641 1.244 0.000) 2.919 3.132 ( -0.688 -1.352 0.000) 1.517 3.132 ( -0.688 1.352 0.000) 1.517 3.260 ( 3.391 -3.984 0.000) 5.232 3.260 ( 3.391 3.984 0.000) 5.232 3.319 ( -3.981 -6.601 0.000) 7.709 3.319 ( -3.981 6.601 0.000) 7.709 3.585 ( -4.809 -0.515 0.000) 4.836 3.585 ( -4.809 0.515 -0.000) 4.836 3.720 ( -3.354 -0.486 0.000) 3.389 3.720 ( -3.354 0.486 0.000) 3.389 4.023 ( 2.957 -5.915 0.000) 6.613 4.023 ( 2.957 5.915 0.000) 6.613 4.149 ( 0.867 -1.995 0.000) 2.175 4.149 ( 0.867 1.995 0.000) 2.175 4.327 ( 3.652 -0.674 0.000) 3.714 4.327 ( 3.652 0.674 0.000) 3.714 4.383 ( -1.733 -1.802 0.000) 2.501 4.383 ( -1.733 1.802 0.000) 2.501 4.574 ( 4.842 -2.968 0.000) 5.680 4.574 ( 4.842 2.968 0.000) 5.680 4.721 ( -2.655 -1.696 0.000) 3.151 4.721 ( -2.655 1.696 0.000) 3.151 5.060 ( -0.736 -0.194 0.000) 0.761 5.060 ( -0.736 0.194 0.000) 0.761 5.146 ( -6.105 -0.473 0.000) 6.123 5.146 ( -6.105 0.473 0.000) 6.123 6.969 ( 2.737 -0.991 0.000) 2.911 6.969 ( 2.737 0.991 0.000) 2.911 7.175 ( 0.582 -2.333 0.000) 2.404 7.175 ( 0.582 2.333 0.000) 2.404 7.449 ( 3.974 -7.785 0.000) 8.741 7.449 ( 3.974 7.785 0.000) 8.741 7.732 ( 2.404 -4.980 0.000) 5.530 7.732 ( 2.404 4.980 0.000) 5.530 10.267 ( 0.281 -0.321 0.000) 0.427 10.267 ( 0.281 0.321 0.000) 0.427 10.650 ( -8.450 -0.744 0.000) 8.483 10.650 ( -8.450 0.744 0.000) 8.483 11.043 ( -2.668 -4.233 0.000) 5.004 11.043 ( -2.668 4.233 -0.000) 5.004 11.093 ( 3.483 -5.978 0.000) 6.918 11.093 ( 3.483 5.978 0.000) 6.918 11.356 ( 5.034 -0.950 0.000) 5.123 11.356 ( 5.034 0.950 0.000) 5.123 11.877 ( -3.400 -0.310 0.000) 3.414 11.877 ( -3.400 0.310 0.000) 3.414 12.934 ( -3.561 -1.905 0.000) 4.038 12.934 ( -3.561 1.905 0.000) 4.038 13.013 ( 2.334 -1.377 0.000) 2.710 13.013 ( 2.334 1.377 0.000) 2.710 13.196 ( -3.623 -3.678 0.000) 5.163 13.196 ( -3.623 3.678 0.000) 5.163 13.279 ( 2.268 -0.746 0.000) 2.387 13.279 ( 2.268 0.746 0.000) 2.387 13.472 ( 1.857 -1.425 0.000) 2.340 13.472 ( 1.857 1.425 0.000) 2.340 13.532 ( 1.105 -2.742 0.000) 2.956 13.532 ( 1.105 2.742 0.000) 2.956 13.567 ( -7.933 -1.534 0.000) 8.080 13.567 ( -7.933 1.534 0.000) 8.080 13.642 ( 0.046 -0.724 0.000) 0.726 13.642 ( 0.046 0.724 0.000) 0.726 13.863 ( -4.611 -1.527 0.000) 4.857 13.863 ( -4.611 1.527 0.000) 4.857 14.175 ( 5.969 -2.162 0.000) 6.349 14.175 ( 5.969 2.162 0.000) 6.349 14.933 ( -1.431 -1.763 0.000) 2.271 14.933 ( -1.431 1.763 0.000) 2.271 15.268 ( 1.204 -2.423 0.000) 2.706 15.268 ( 1.204 2.423 0.000) 2.706 15.466 ( -3.757 -3.169 0.000) 4.915 15.466 ( -3.757 3.169 0.000) 4.915 15.952 ( -1.090 -0.510 0.000) 1.204 15.952 ( -1.090 0.510 0.000) 1.204 ======================= Grid point 183 (59/60) ======================= q-point: ( 0.38 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( 2.607 -1.026 0.000) 2.802 0.822 ( 2.607 1.026 0.000) 2.802 0.902 ( 1.376 -0.131 0.000) 1.382 0.902 ( 1.376 0.131 0.000) 1.382 0.994 ( -2.820 -2.030 0.000) 3.475 0.994 ( -2.820 2.030 0.000) 3.475 1.123 ( 1.392 -1.481 0.000) 2.033 1.123 ( 1.392 1.481 0.000) 2.033 1.152 ( 1.569 -2.775 0.000) 3.188 1.152 ( 1.569 2.775 0.000) 3.188 1.292 ( -2.093 -0.740 0.000) 2.220 1.292 ( -2.093 0.740 0.000) 2.220 1.412 ( -0.033 -0.800 0.000) 0.801 1.412 ( -0.033 0.800 0.000) 0.801 1.441 ( -1.940 -0.745 0.000) 2.078 1.441 ( -1.940 0.745 0.000) 2.078 1.501 ( 2.307 -0.796 0.000) 2.441 1.501 ( 2.307 0.796 0.000) 2.441 1.628 ( 2.256 -2.236 0.000) 3.176 1.628 ( 2.256 2.236 0.000) 3.176 1.654 ( -0.889 -3.422 -0.000) 3.535 1.654 ( -0.889 3.422 0.000) 3.535 1.733 ( -2.270 -1.417 0.000) 2.676 1.733 ( -2.270 1.417 0.000) 2.676 1.782 ( -1.629 -1.315 0.000) 2.094 1.782 ( -1.629 1.315 0.000) 2.094 1.800 ( -3.369 -0.353 -0.000) 3.387 1.800 ( -3.369 0.353 -0.000) 3.387 1.830 ( 0.311 -2.395 0.000) 2.415 1.830 ( 0.311 2.395 0.000) 2.415 1.976 ( 0.362 -0.724 0.000) 0.810 1.976 ( 0.362 0.724 0.000) 0.810 2.084 ( -2.000 -0.529 0.000) 2.069 2.084 ( -2.000 0.529 0.000) 2.069 2.108 ( -1.904 -0.418 0.000) 1.949 2.108 ( -1.904 0.418 0.000) 1.949 2.150 ( 2.557 -0.107 -0.000) 2.559 2.150 ( 2.557 0.107 0.000) 2.559 2.219 ( -0.525 -0.747 0.000) 0.913 2.219 ( -0.525 0.747 0.000) 0.913 2.359 ( 2.669 -1.100 0.000) 2.887 2.359 ( 2.669 1.100 0.000) 2.887 2.442 ( 0.701 -1.648 0.000) 1.791 2.442 ( 0.701 1.648 0.000) 1.791 2.465 ( -1.184 -1.237 0.000) 1.712 2.465 ( -1.184 1.237 0.000) 1.712 2.626 ( 0.364 -1.670 0.000) 1.709 2.626 ( 0.364 1.670 0.000) 1.709 2.682 ( 0.200 -1.699 0.000) 1.710 2.682 ( 0.200 1.699 0.000) 1.710 2.790 ( -1.156 -3.238 0.000) 3.438 2.790 ( -1.156 3.238 0.000) 3.438 2.843 ( -4.450 -1.191 0.000) 4.607 2.843 ( -4.450 1.191 0.000) 4.607 2.949 ( 4.148 -1.244 0.000) 4.331 2.949 ( 4.148 1.244 0.000) 4.331 3.055 ( 6.217 -0.640 0.000) 6.250 3.055 ( 6.217 0.640 0.000) 6.250 3.148 ( 2.229 -1.996 0.000) 2.992 3.148 ( 2.229 1.996 0.000) 2.992 3.237 ( -3.539 -9.422 0.000) 10.065 3.237 ( -3.539 9.422 0.000) 10.065 3.310 ( -0.074 -0.540 0.000) 0.545 3.310 ( -0.074 0.540 0.000) 0.545 3.499 ( -3.880 -0.110 0.000) 3.882 3.499 ( -3.880 0.110 -0.000) 3.882 3.677 ( -0.437 -0.195 0.000) 0.479 3.677 ( -0.437 0.195 0.000) 0.479 4.076 ( 2.379 -2.960 0.000) 3.798 4.076 ( 2.379 2.960 0.000) 3.798 4.163 ( 0.389 -4.494 0.000) 4.511 4.163 ( 0.389 4.494 0.000) 4.511 4.343 ( -1.913 -0.157 0.000) 1.920 4.343 ( -1.913 0.157 0.000) 1.920 4.379 ( 1.623 -1.002 0.000) 1.908 4.379 ( 1.623 1.002 0.000) 1.908 4.662 ( 3.303 -3.003 0.000) 4.464 4.662 ( 3.303 3.003 0.000) 4.464 4.697 ( 0.286 -1.241 -0.000) 1.273 4.697 ( 0.286 1.241 0.000) 1.273 5.029 ( -3.921 -0.094 0.000) 3.922 5.029 ( -3.921 0.094 0.000) 3.922 5.031 ( -3.188 -0.821 -0.000) 3.292 5.031 ( -3.188 0.821 -0.000) 3.292 7.014 ( 1.730 -0.331 0.000) 1.761 7.014 ( 1.730 0.331 0.000) 1.761 7.174 ( -0.502 -2.754 0.000) 2.800 7.174 ( -0.502 2.754 0.000) 2.800 7.522 ( 3.076 -8.928 0.000) 9.443 7.522 ( 3.076 8.928 0.000) 9.443 7.774 ( 1.711 -6.119 0.000) 6.354 7.774 ( 1.711 6.119 0.000) 6.354 10.281 ( 1.393 -0.934 0.000) 1.677 10.281 ( 1.393 0.934 0.000) 1.677 10.489 ( -7.495 -1.400 0.000) 7.624 10.489 ( -7.495 1.400 0.000) 7.624 11.005 ( -1.141 -6.488 0.000) 6.588 11.005 ( -1.141 6.488 0.000) 6.588 11.154 ( 2.334 -8.770 0.000) 9.075 11.154 ( 2.334 8.770 0.000) 9.075 11.459 ( 5.023 -0.906 0.000) 5.104 11.459 ( 5.023 0.906 0.000) 5.104 11.806 ( -3.592 -2.756 0.000) 4.528 11.806 ( -3.592 2.756 0.000) 4.528 12.873 ( -2.306 -1.311 0.000) 2.652 12.873 ( -2.306 1.311 0.000) 2.652 13.073 ( 3.076 -0.348 0.000) 3.095 13.073 ( 3.076 0.348 0.000) 3.095 13.123 ( -3.254 -2.061 0.000) 3.851 13.123 ( -3.254 2.061 0.000) 3.851 13.284 ( -1.785 -3.146 0.000) 3.617 13.284 ( -1.785 3.146 0.000) 3.617 13.438 ( -3.035 -4.126 0.000) 5.122 13.438 ( -3.035 4.126 -0.000) 5.122 13.515 ( 1.214 -3.243 0.000) 3.463 13.515 ( 1.214 3.243 0.000) 3.463 13.561 ( 1.257 -1.230 0.000) 1.759 13.561 ( 1.257 1.230 0.000) 1.759 13.630 ( -1.457 -1.210 0.000) 1.893 13.630 ( -1.457 1.210 0.000) 1.893 13.793 ( -2.175 -1.222 0.000) 2.495 13.793 ( -2.175 1.222 0.000) 2.495 14.277 ( 4.081 -1.970 0.000) 4.531 14.277 ( 4.081 1.970 0.000) 4.531 14.909 ( -0.934 -2.816 0.000) 2.967 14.909 ( -0.934 2.816 0.000) 2.967 15.293 ( 1.314 -1.120 0.000) 1.727 15.293 ( 1.314 1.120 0.000) 1.727 15.394 ( -3.328 -2.086 0.000) 3.928 15.394 ( -3.328 2.086 0.000) 3.928 15.935 ( -0.642 -0.887 0.000) 1.095 15.935 ( -0.642 0.887 0.000) 1.095 ======================= Grid point 187 (60/60) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.850 ( 0.000 -1.072 0.000) 1.072 0.850 ( 0.000 1.072 0.000) 1.072 0.922 ( 0.000 -2.764 0.000) 2.764 0.922 ( 0.000 2.764 0.000) 2.764 0.958 ( 0.000 -3.296 0.000) 3.296 0.958 ( 0.000 3.296 0.000) 3.296 1.129 ( 0.000 -0.609 0.000) 0.609 1.129 ( 0.000 0.609 0.000) 0.609 1.176 ( 0.000 -1.195 0.000) 1.195 1.176 ( 0.000 1.195 0.000) 1.195 1.276 ( 0.000 -1.914 0.000) 1.914 1.276 ( 0.000 1.914 0.000) 1.914 1.399 ( 0.000 -2.559 -0.000) 2.559 1.399 ( 0.000 2.559 -0.000) 2.559 1.409 ( 0.000 -0.069 0.000) 0.069 1.409 ( 0.000 0.069 0.000) 0.069 1.558 ( 0.000 -1.609 0.000) 1.609 1.558 ( 0.000 1.609 0.000) 1.609 1.640 ( 0.000 -3.026 0.000) 3.026 1.640 ( 0.000 3.026 0.000) 3.026 1.650 ( 0.000 -1.426 0.000) 1.426 1.650 ( 0.000 1.426 -0.000) 1.426 1.720 ( -0.000 -2.818 0.000) 2.818 1.720 ( -0.000 2.818 0.000) 2.818 1.730 ( 0.000 -1.091 -0.000) 1.091 1.730 ( 0.000 1.091 0.000) 1.091 1.776 ( 0.000 -4.241 0.000) 4.241 1.776 ( 0.000 4.241 0.000) 4.241 1.847 ( 0.000 -3.224 0.000) 3.224 1.847 ( 0.000 3.224 0.000) 3.224 1.986 ( 0.000 -0.193 0.000) 0.193 1.986 ( 0.000 0.193 0.000) 0.193 2.039 ( 0.000 -0.183 0.000) 0.183 2.039 ( 0.000 0.183 0.000) 0.183 2.095 ( 0.000 -1.448 -0.000) 1.448 2.095 ( 0.000 1.448 0.000) 1.448 2.181 ( 0.000 -2.136 0.000) 2.136 2.181 ( 0.000 2.136 0.000) 2.136 2.211 ( 0.000 -1.045 0.000) 1.045 2.211 ( 0.000 1.045 0.000) 1.045 2.386 ( 0.000 -0.926 0.000) 0.926 2.386 ( 0.000 0.926 -0.000) 0.926 2.449 ( 0.000 -3.270 0.000) 3.270 2.449 ( 0.000 3.270 -0.000) 3.270 2.454 ( 0.000 -0.383 0.000) 0.383 2.454 ( 0.000 0.383 0.000) 0.383 2.626 ( 0.000 -2.777 0.000) 2.777 2.626 ( 0.000 2.777 0.000) 2.777 2.706 ( 0.000 -1.810 0.000) 1.810 2.706 ( 0.000 1.810 0.000) 1.810 2.758 ( 0.000 -3.155 0.000) 3.155 2.758 ( 0.000 3.155 0.000) 3.155 2.799 ( 0.000 -2.438 0.000) 2.438 2.799 ( 0.000 2.438 0.000) 2.438 2.994 ( 0.000 -2.414 0.000) 2.414 2.994 ( 0.000 2.414 0.000) 2.414 3.142 ( -0.000 -0.731 0.000) 0.731 3.142 ( -0.000 0.731 0.000) 0.731 3.153 ( 0.000 -10.583 0.000) 10.583 3.153 ( 0.000 10.583 0.000) 10.583 3.230 ( 0.000 -3.160 0.000) 3.160 3.230 ( 0.000 3.160 0.000) 3.160 3.273 ( -0.000 -0.916 0.000) 0.916 3.273 ( -0.000 0.916 0.000) 0.916 3.454 ( 0.000 -0.017 0.000) 0.017 3.454 ( 0.000 0.017 0.000) 0.017 3.684 ( 0.000 -1.790 0.000) 1.790 3.684 ( 0.000 1.790 0.000) 1.790 4.104 ( 0.000 -3.382 0.000) 3.382 4.104 ( 0.000 3.382 0.000) 3.382 4.164 ( 0.000 -8.220 0.000) 8.220 4.164 ( 0.000 8.220 0.000) 8.220 4.322 ( 0.000 -0.074 0.000) 0.074 4.322 ( 0.000 0.074 0.000) 0.074 4.395 ( 0.000 -1.407 0.000) 1.407 4.395 ( 0.000 1.407 0.000) 1.407 4.695 ( 0.000 -4.209 0.000) 4.209 4.695 ( 0.000 4.209 0.000) 4.209 4.703 ( -0.000 -0.898 0.000) 0.898 4.703 ( -0.000 0.898 0.000) 0.898 4.989 ( -0.000 -2.068 0.000) 2.068 4.989 ( 0.000 2.068 0.000) 2.068 4.993 ( 0.000 -3.023 0.000) 3.023 4.993 ( 0.000 3.023 0.000) 3.023 7.032 ( 0.000 -0.049 0.000) 0.049 7.032 ( 0.000 0.049 0.000) 0.049 7.167 ( 0.000 -2.918 0.000) 2.918 7.167 ( 0.000 2.918 0.000) 2.918 7.554 ( 0.000 -9.162 0.000) 9.162 7.554 ( 0.000 9.162 0.000) 9.162 7.792 ( 0.000 -6.438 0.000) 6.438 7.792 ( 0.000 6.438 0.000) 6.438 10.312 ( 0.000 -3.006 0.000) 3.006 10.312 ( 0.000 3.006 0.000) 3.006 10.395 ( 0.000 -3.505 0.000) 3.505 10.395 ( 0.000 3.505 0.000) 3.505 10.994 ( 0.000 -7.561 0.000) 7.561 10.994 ( 0.000 7.561 0.000) 7.561 11.177 ( 0.000 -10.003 0.000) 10.003 11.177 ( 0.000 10.003 0.000) 10.003 11.518 ( 0.000 -3.577 0.000) 3.577 11.518 ( 0.000 3.577 0.000) 3.577 11.763 ( 0.000 -5.616 0.000) 5.616 11.763 ( 0.000 5.616 0.000) 5.616 12.850 ( 0.000 -2.486 0.000) 2.486 12.850 ( 0.000 2.486 0.000) 2.486 13.082 ( 0.000 -1.949 0.000) 1.949 13.082 ( 0.000 1.949 0.000) 1.949 13.115 ( 0.000 -2.176 0.000) 2.176 13.115 ( 0.000 2.176 0.000) 2.176 13.255 ( 0.000 -3.251 0.000) 3.251 13.255 ( 0.000 3.251 0.000) 3.251 13.414 ( 0.000 -5.257 0.000) 5.257 13.414 ( 0.000 5.257 0.000) 5.257 13.529 ( 0.000 -5.236 0.000) 5.236 13.529 ( 0.000 5.236 0.000) 5.236 13.575 ( 0.000 -1.283 0.000) 1.283 13.575 ( 0.000 1.283 0.000) 1.283 13.608 ( 0.000 -1.945 0.000) 1.945 13.608 ( 0.000 1.945 0.000) 1.945 13.775 ( 0.000 -1.489 0.000) 1.489 13.775 ( 0.000 1.489 0.000) 1.489 14.319 ( 0.000 -1.886 0.000) 1.886 14.319 ( 0.000 1.886 0.000) 1.886 14.899 ( 0.000 -3.335 0.000) 3.335 14.899 ( 0.000 3.335 0.000) 3.335 15.313 ( 0.000 -2.157 0.000) 2.157 15.313 ( 0.000 2.157 0.000) 2.157 15.353 ( -0.000 -1.022 0.000) 1.022 15.353 ( 0.000 1.022 0.000) 1.022 15.929 ( 0.000 -1.027 0.000) 1.027 15.929 ( 0.000 1.027 0.000) 1.027 =================== 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 3/25344 10.0 39.601 37.635 34.726 0.000 0.000 -0.000 3/25344 20.0 7.013 6.534 6.066 0.000 0.000 -0.000 3/25344 30.0 3.279 3.152 2.985 0.000 0.000 -0.000 3/25344 40.0 2.136 2.101 2.011 0.000 0.000 -0.000 3/25344 50.0 1.607 1.602 1.539 0.000 0.000 -0.000 3/25344 60.0 1.300 1.307 1.255 0.000 0.000 -0.000 3/25344 70.0 1.097 1.108 1.063 0.000 0.000 -0.000 3/25344 80.0 0.951 0.964 0.923 0.000 0.000 -0.000 3/25344 90.0 0.842 0.855 0.816 0.000 0.000 -0.000 3/25344 100.0 0.756 0.769 0.733 0.000 0.000 -0.000 3/25344 110.0 0.686 0.699 0.665 0.000 0.000 -0.000 3/25344 120.0 0.629 0.642 0.609 0.000 0.000 -0.000 3/25344 130.0 0.581 0.594 0.562 0.000 0.000 -0.000 3/25344 140.0 0.540 0.552 0.522 0.000 0.000 -0.000 3/25344 150.0 0.505 0.517 0.488 0.000 0.000 -0.000 3/25344 160.0 0.474 0.485 0.458 0.000 0.000 -0.000 3/25344 170.0 0.447 0.458 0.431 0.000 0.000 -0.000 3/25344 180.0 0.423 0.434 0.408 0.000 0.000 -0.000 3/25344 190.0 0.401 0.412 0.387 0.000 0.000 -0.000 3/25344 200.0 0.382 0.392 0.368 0.000 0.000 -0.000 3/25344 210.0 0.364 0.374 0.351 0.000 0.000 -0.000 3/25344 220.0 0.348 0.358 0.335 0.000 0.000 -0.000 3/25344 230.0 0.333 0.343 0.321 0.000 0.000 -0.000 3/25344 240.0 0.320 0.329 0.308 0.000 0.000 -0.000 3/25344 250.0 0.307 0.317 0.296 0.000 0.000 -0.000 3/25344 260.0 0.296 0.305 0.285 0.000 0.000 -0.000 3/25344 270.0 0.285 0.294 0.275 0.000 0.000 -0.000 3/25344 280.0 0.275 0.284 0.265 0.000 0.000 -0.000 3/25344 290.0 0.266 0.275 0.256 0.000 0.000 -0.000 3/25344 300.0 0.257 0.266 0.248 0.000 0.000 -0.000 3/25344 310.0 0.249 0.258 0.240 0.000 0.000 -0.000 3/25344 320.0 0.242 0.250 0.233 0.000 0.000 -0.000 3/25344 330.0 0.234 0.242 0.226 0.000 0.000 -0.000 3/25344 340.0 0.228 0.236 0.219 0.000 0.000 -0.000 3/25344 350.0 0.221 0.229 0.213 0.000 0.000 -0.000 3/25344 360.0 0.215 0.223 0.208 0.000 0.000 -0.000 3/25344 370.0 0.210 0.217 0.202 0.000 0.000 -0.000 3/25344 380.0 0.204 0.211 0.197 0.000 0.000 -0.000 3/25344 390.0 0.199 0.206 0.192 0.000 0.000 -0.000 3/25344 400.0 0.194 0.201 0.187 0.000 0.000 -0.000 3/25344 410.0 0.190 0.196 0.183 0.000 0.000 -0.000 3/25344 420.0 0.185 0.192 0.178 0.000 0.000 -0.000 3/25344 430.0 0.181 0.187 0.174 0.000 0.000 -0.000 3/25344 440.0 0.177 0.183 0.170 0.000 0.000 -0.000 3/25344 450.0 0.173 0.179 0.167 0.000 0.000 -0.000 3/25344 460.0 0.169 0.176 0.163 0.000 0.000 -0.000 3/25344 470.0 0.166 0.172 0.160 0.000 0.000 -0.000 3/25344 480.0 0.162 0.168 0.156 0.000 0.000 -0.000 3/25344 490.0 0.159 0.165 0.153 0.000 0.000 -0.000 3/25344 500.0 0.156 0.162 0.150 0.000 0.000 -0.000 3/25344 510.0 0.153 0.159 0.147 0.000 0.000 -0.000 3/25344 520.0 0.150 0.156 0.145 0.000 0.000 -0.000 3/25344 530.0 0.147 0.153 0.142 0.000 0.000 -0.000 3/25344 540.0 0.144 0.150 0.139 0.000 0.000 -0.000 3/25344 550.0 0.142 0.147 0.137 0.000 0.000 -0.000 3/25344 560.0 0.139 0.145 0.134 0.000 0.000 -0.000 3/25344 570.0 0.137 0.142 0.132 0.000 0.000 -0.000 3/25344 580.0 0.135 0.140 0.130 0.000 0.000 -0.000 3/25344 590.0 0.132 0.137 0.128 0.000 0.000 -0.000 3/25344 600.0 0.130 0.135 0.125 0.000 0.000 -0.000 3/25344 610.0 0.128 0.133 0.123 0.000 0.000 -0.000 3/25344 620.0 0.126 0.131 0.121 0.000 0.000 -0.000 3/25344 630.0 0.124 0.129 0.120 0.000 0.000 -0.000 3/25344 640.0 0.122 0.127 0.118 0.000 0.000 -0.000 3/25344 650.0 0.120 0.125 0.116 0.000 0.000 -0.000 3/25344 660.0 0.118 0.123 0.114 0.000 0.000 -0.000 3/25344 670.0 0.117 0.121 0.112 0.000 0.000 -0.000 3/25344 680.0 0.115 0.119 0.111 0.000 0.000 -0.000 3/25344 690.0 0.113 0.118 0.109 0.000 0.000 -0.000 3/25344 700.0 0.112 0.116 0.108 0.000 0.000 -0.000 3/25344 710.0 0.110 0.114 0.106 0.000 0.000 -0.000 3/25344 720.0 0.109 0.113 0.105 0.000 0.000 -0.000 3/25344 730.0 0.107 0.111 0.103 0.000 0.000 -0.000 3/25344 740.0 0.106 0.110 0.102 0.000 0.000 -0.000 3/25344 750.0 0.104 0.108 0.101 0.000 0.000 -0.000 3/25344 760.0 0.103 0.107 0.099 0.000 0.000 -0.000 3/25344 770.0 0.102 0.106 0.098 0.000 0.000 -0.000 3/25344 780.0 0.100 0.104 0.097 0.000 0.000 -0.000 3/25344 790.0 0.099 0.103 0.095 0.000 0.000 -0.000 3/25344 800.0 0.098 0.102 0.094 0.000 0.000 -0.000 3/25344 810.0 0.097 0.100 0.093 0.000 0.000 -0.000 3/25344 820.0 0.095 0.099 0.092 0.000 0.000 -0.000 3/25344 830.0 0.094 0.098 0.091 0.000 0.000 -0.000 3/25344 840.0 0.093 0.097 0.090 0.000 0.000 -0.000 3/25344 850.0 0.092 0.096 0.089 0.000 0.000 -0.000 3/25344 860.0 0.091 0.095 0.088 0.000 0.000 -0.000 3/25344 870.0 0.090 0.094 0.087 0.000 0.000 -0.000 3/25344 880.0 0.089 0.093 0.086 0.000 0.000 -0.000 3/25344 890.0 0.088 0.092 0.085 0.000 0.000 -0.000 3/25344 900.0 0.087 0.091 0.084 0.000 0.000 -0.000 3/25344 910.0 0.086 0.090 0.083 0.000 0.000 -0.000 3/25344 920.0 0.085 0.089 0.082 0.000 0.000 -0.000 3/25344 930.0 0.084 0.088 0.081 0.000 0.000 -0.000 3/25344 940.0 0.083 0.087 0.080 0.000 0.000 -0.000 3/25344 950.0 0.082 0.086 0.079 0.000 0.000 -0.000 3/25344 960.0 0.082 0.085 0.079 0.000 0.000 -0.000 3/25344 970.0 0.081 0.084 0.078 0.000 0.000 -0.000 3/25344 980.0 0.080 0.083 0.077 0.000 0.000 -0.000 3/25344 990.0 0.079 0.082 0.076 0.000 0.000 -0.000 3/25344 1000.0 0.078 0.082 0.076 0.000 0.000 -0.000 3/25344 Thermal conductivity related properties were written into "kappa-m846.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:37:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|