----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 00:40:04]------------------------- 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: [1 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.560277559999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.769207440000001 0.000000000000000 c 0.000000000000000 0.000000000000000 10.699009830000000 Atomic positions (fractional): *1 O 0.51029395266474 0.01182779100597 0.74742216758397 15.999 2 O 0.01029395266474 0.48817220899404 0.25257783241602 15.999 3 O 0.98970604733526 0.98817220899404 0.24742216758398 15.999 4 O 0.48970604733526 0.51182779100596 0.75257783241603 15.999 5 O 0.48970604733526 0.98817220899404 0.25257783241602 15.999 6 O 0.98970604733526 0.51182779100596 0.74742216758397 15.999 7 O 0.01029395266474 0.01182779100597 0.75257783241603 15.999 8 O 0.51029395266474 0.48817220899404 0.24742216758398 15.999 *9 O 0.23744078799949 0.54407755312443 0.51492047597122 15.999 10 O 0.73744078799949 0.95592244687557 0.48507952402878 15.999 11 O 0.26255921200051 0.45592244687557 0.01492047597122 15.999 12 O 0.76255921200051 0.04407755312443 0.98507952402878 15.999 13 O 0.76255921200051 0.45592244687557 0.48507952402878 15.999 14 O 0.26255921200051 0.04407755312443 0.51492047597122 15.999 15 O 0.73744078799949 0.54407755312443 0.98507952402878 15.999 16 O 0.23744078799949 0.95592244687557 0.01492047597122 15.999 *17 O 0.76813469034819 0.25696979539758 0.25241204834581 15.999 18 O 0.26813469034819 0.24303020460242 0.74758795165419 15.999 19 O 0.73186530965181 0.74303020460242 0.75241204834581 15.999 20 O 0.23186530965181 0.75696979539758 0.24758795165419 15.999 21 O 0.23186530965181 0.74303020460242 0.74758795165419 15.999 22 O 0.73186530965181 0.75696979539758 0.25241204834581 15.999 23 O 0.26813469034819 0.25696979539758 0.24758795165419 15.999 24 O 0.76813469034819 0.24303020460242 0.75241204834581 15.999 *25 O 0.99975799913563 0.25576829361914 0.45638404696863 15.999 26 O 0.49975799913563 0.24423170638086 0.54361595303137 15.999 27 O 0.50024200086437 0.74423170638086 0.95638404696863 15.999 28 O 0.00024200086437 0.75576829361914 0.04361595303137 15.999 29 O 0.00024200086437 0.74423170638086 0.54361595303137 15.999 30 O 0.50024200086437 0.75576829361914 0.45638404696863 15.999 31 O 0.49975799913563 0.25576829361914 0.04361595303137 15.999 32 O 0.99975799913563 0.24423170638086 0.95638404696863 15.999 *33 Na 0.10339901840518 0.33828089430735 0.11918901304767 22.990 34 Na 0.60339901840518 0.16171910569265 0.88081098695233 22.990 35 Na 0.39660098159482 0.66171910569265 0.61918901304767 22.990 36 Na 0.89660098159482 0.83828089430735 0.38081098695233 22.990 37 Na 0.89660098159482 0.66171910569265 0.88081098695233 22.990 38 Na 0.39660098159482 0.83828089430735 0.11918901304767 22.990 39 Na 0.60339901840518 0.33828089430735 0.38081098695233 22.990 40 Na 0.10339901840518 0.16171910569265 0.61918901304767 22.990 *41 Na 0.64327069155543 0.89668054213222 0.88702804271881 22.990 42 Na 0.14327069155543 0.60331945786778 0.11297195728119 22.990 43 Na 0.85672930844457 0.10331945786778 0.38702804271881 22.990 44 Na 0.35672930844457 0.39668054213222 0.61297195728119 22.990 45 Na 0.35672930844457 0.10331945786778 0.11297195728119 22.990 46 Na 0.85672930844457 0.39668054213222 0.88702804271881 22.990 47 Na 0.14327069155543 0.89668054213222 0.61297195728119 22.990 48 Na 0.64327069155543 0.60331945786778 0.38702804271881 22.990 *49 Na 0.59455818526216 0.85267559372456 0.62425657787695 22.990 50 Na 0.09455818526216 0.64732440627544 0.37574342212305 22.990 51 Na 0.90544181473784 0.14732440627544 0.12425657787695 22.990 52 Na 0.40544181473784 0.35267559372456 0.87574342212305 22.990 53 Na 0.40544181473784 0.14732440627544 0.37574342212305 22.990 54 Na 0.90544181473784 0.35267559372456 0.62425657787695 22.990 55 Na 0.09455818526216 0.85267559372456 0.87574342212305 22.990 56 Na 0.59455818526216 0.64732440627544 0.12425657787695 22.990 *57 Na 0.66668708509034 0.38273724155644 0.10649270410620 22.990 58 Na 0.16668708509034 0.11726275844356 0.89350729589380 22.990 59 Na 0.83331291490966 0.61726275844356 0.60649270410620 22.990 60 Na 0.33331291490966 0.88273724155644 0.39350729589380 22.990 61 Na 0.33331291490966 0.61726275844356 0.89350729589380 22.990 62 Na 0.83331291490966 0.88273724155644 0.10649270410620 22.990 63 Na 0.16668708509034 0.38273724155644 0.39350729589380 22.990 64 Na 0.66668708509034 0.11726275844356 0.60649270410620 22.990 *65 Na 0.13230049126720 0.38195564048587 0.84928347449532 22.990 66 Na 0.63230049126720 0.11804435951413 0.15071652550468 22.990 67 Na 0.36769950873280 0.61804435951413 0.34928347449532 22.990 68 Na 0.86769950873280 0.88195564048587 0.65071652550468 22.990 69 Na 0.86769950873280 0.61804435951413 0.15071652550468 22.990 70 Na 0.36769950873280 0.88195564048587 0.84928347449532 22.990 71 Na 0.63230049126720 0.38195564048587 0.65071652550468 22.990 72 Na 0.13230049126720 0.11804435951413 0.34928347449532 22.990 *73 In 0.88498461075317 0.37813262299540 0.35237677658530 114.818 74 In 0.38498461075317 0.12186737700460 0.64762322341470 114.818 75 In 0.61501538924683 0.62186737700461 0.85237677658530 114.818 76 In 0.11501538924683 0.87813262299539 0.14762322341470 114.818 77 In 0.11501538924683 0.62186737700461 0.64762322341470 114.818 78 In 0.61501538924683 0.87813262299539 0.35237677658530 114.818 79 In 0.38498461075317 0.37813262299540 0.14762322341470 114.818 80 In 0.88498461075317 0.12186737700460 0.85237677658530 114.818 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.560277559999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.769207440000001 0.000000000000000 c 0.000000000000000 0.000000000000000 10.699009830000000 Atomic positions (fractional): *1 O 0.51029395266474 0.01182779100597 0.74742216758397 15.999 > 1 2 O 0.01029395266474 0.48817220899404 0.25257783241602 15.999 > 2 3 O 0.98970604733526 0.98817220899404 0.24742216758398 15.999 > 3 4 O 0.48970604733526 0.51182779100596 0.75257783241603 15.999 > 4 5 O 0.48970604733526 0.98817220899404 0.25257783241602 15.999 > 5 6 O 0.98970604733526 0.51182779100596 0.74742216758397 15.999 > 6 7 O 0.01029395266474 0.01182779100597 0.75257783241603 15.999 > 7 8 O 0.51029395266474 0.48817220899404 0.24742216758398 15.999 > 8 *9 O 0.23744078799949 0.54407755312443 0.51492047597122 15.999 > 9 10 O 0.73744078799949 0.95592244687557 0.48507952402878 15.999 > 10 11 O 0.26255921200051 0.45592244687557 0.01492047597122 15.999 > 11 12 O 0.76255921200051 0.04407755312443 0.98507952402878 15.999 > 12 13 O 0.76255921200051 0.45592244687557 0.48507952402878 15.999 > 13 14 O 0.26255921200051 0.04407755312443 0.51492047597122 15.999 > 14 15 O 0.73744078799949 0.54407755312443 0.98507952402878 15.999 > 15 16 O 0.23744078799949 0.95592244687557 0.01492047597122 15.999 > 16 *17 O 0.76813469034819 0.25696979539758 0.25241204834581 15.999 > 17 18 O 0.26813469034819 0.24303020460242 0.74758795165419 15.999 > 18 19 O 0.73186530965181 0.74303020460242 0.75241204834581 15.999 > 19 20 O 0.23186530965181 0.75696979539758 0.24758795165419 15.999 > 20 21 O 0.23186530965181 0.74303020460242 0.74758795165419 15.999 > 21 22 O 0.73186530965181 0.75696979539758 0.25241204834581 15.999 > 22 23 O 0.26813469034819 0.25696979539758 0.24758795165419 15.999 > 23 24 O 0.76813469034819 0.24303020460242 0.75241204834581 15.999 > 24 *25 O 0.99975799913563 0.25576829361914 0.45638404696863 15.999 > 25 26 O 0.49975799913563 0.24423170638086 0.54361595303137 15.999 > 26 27 O 0.50024200086437 0.74423170638086 0.95638404696863 15.999 > 27 28 O 0.00024200086437 0.75576829361914 0.04361595303137 15.999 > 28 29 O 0.00024200086437 0.74423170638086 0.54361595303137 15.999 > 29 30 O 0.50024200086437 0.75576829361914 0.45638404696863 15.999 > 30 31 O 0.49975799913563 0.25576829361914 0.04361595303137 15.999 > 31 32 O 0.99975799913563 0.24423170638086 0.95638404696863 15.999 > 32 *33 Na 0.10339901840518 0.33828089430735 0.11918901304767 22.990 > 33 34 Na 0.60339901840518 0.16171910569265 0.88081098695233 22.990 > 34 35 Na 0.39660098159482 0.66171910569265 0.61918901304767 22.990 > 35 36 Na 0.89660098159482 0.83828089430735 0.38081098695233 22.990 > 36 37 Na 0.89660098159482 0.66171910569265 0.88081098695233 22.990 > 37 38 Na 0.39660098159482 0.83828089430735 0.11918901304767 22.990 > 38 39 Na 0.60339901840518 0.33828089430735 0.38081098695233 22.990 > 39 40 Na 0.10339901840518 0.16171910569265 0.61918901304767 22.990 > 40 *41 Na 0.64327069155543 0.89668054213222 0.88702804271881 22.990 > 41 42 Na 0.14327069155543 0.60331945786778 0.11297195728119 22.990 > 42 43 Na 0.85672930844457 0.10331945786778 0.38702804271881 22.990 > 43 44 Na 0.35672930844457 0.39668054213222 0.61297195728119 22.990 > 44 45 Na 0.35672930844457 0.10331945786778 0.11297195728119 22.990 > 45 46 Na 0.85672930844457 0.39668054213222 0.88702804271881 22.990 > 46 47 Na 0.14327069155543 0.89668054213222 0.61297195728119 22.990 > 47 48 Na 0.64327069155543 0.60331945786778 0.38702804271881 22.990 > 48 *49 Na 0.59455818526216 0.85267559372456 0.62425657787695 22.990 > 49 50 Na 0.09455818526216 0.64732440627544 0.37574342212305 22.990 > 50 51 Na 0.90544181473784 0.14732440627544 0.12425657787695 22.990 > 51 52 Na 0.40544181473784 0.35267559372456 0.87574342212305 22.990 > 52 53 Na 0.40544181473784 0.14732440627544 0.37574342212305 22.990 > 53 54 Na 0.90544181473784 0.35267559372456 0.62425657787695 22.990 > 54 55 Na 0.09455818526216 0.85267559372456 0.87574342212305 22.990 > 55 56 Na 0.59455818526216 0.64732440627544 0.12425657787695 22.990 > 56 *57 Na 0.66668708509034 0.38273724155644 0.10649270410620 22.990 > 57 58 Na 0.16668708509034 0.11726275844356 0.89350729589380 22.990 > 58 59 Na 0.83331291490966 0.61726275844356 0.60649270410620 22.990 > 59 60 Na 0.33331291490966 0.88273724155644 0.39350729589380 22.990 > 60 61 Na 0.33331291490966 0.61726275844356 0.89350729589380 22.990 > 61 62 Na 0.83331291490966 0.88273724155644 0.10649270410620 22.990 > 62 63 Na 0.16668708509034 0.38273724155644 0.39350729589380 22.990 > 63 64 Na 0.66668708509034 0.11726275844356 0.60649270410620 22.990 > 64 *65 Na 0.13230049126720 0.38195564048587 0.84928347449532 22.990 > 65 66 Na 0.63230049126720 0.11804435951413 0.15071652550468 22.990 > 66 67 Na 0.36769950873280 0.61804435951413 0.34928347449532 22.990 > 67 68 Na 0.86769950873280 0.88195564048587 0.65071652550468 22.990 > 68 69 Na 0.86769950873280 0.61804435951413 0.15071652550468 22.990 > 69 70 Na 0.36769950873280 0.88195564048587 0.84928347449532 22.990 > 70 71 Na 0.63230049126720 0.38195564048587 0.65071652550468 22.990 > 71 72 Na 0.13230049126720 0.11804435951413 0.34928347449532 22.990 > 72 *73 In 0.88498461075317 0.37813262299540 0.35237677658530 114.818 > 73 74 In 0.38498461075317 0.12186737700460 0.64762322341470 114.818 > 74 75 In 0.61501538924683 0.62186737700461 0.85237677658530 114.818 > 75 76 In 0.11501538924683 0.87813262299539 0.14762322341470 114.818 > 76 77 In 0.11501538924683 0.62186737700461 0.64762322341470 114.818 > 77 78 In 0.61501538924683 0.87813262299539 0.35237677658530 114.818 > 78 79 In 0.38498461075317 0.37813262299540 0.14762322341470 114.818 > 79 80 In 0.88498461075317 0.12186737700460 0.85237677658530 114.818 > 80 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.560277559999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.769207440000001 0.000000000000000 c 0.000000000000000 0.000000000000000 10.699009830000000 Atomic positions (fractional): *1 O 0.51029395266474 0.01182779100597 0.74742216758397 15.999 > 1 2 O 0.01029395266474 0.48817220899404 0.25257783241602 15.999 > 2 3 O 0.98970604733526 0.98817220899404 0.24742216758398 15.999 > 3 4 O 0.48970604733526 0.51182779100596 0.75257783241603 15.999 > 4 5 O 0.48970604733526 0.98817220899404 0.25257783241602 15.999 > 5 6 O 0.98970604733526 0.51182779100596 0.74742216758397 15.999 > 6 7 O 0.01029395266474 0.01182779100597 0.75257783241603 15.999 > 7 8 O 0.51029395266474 0.48817220899404 0.24742216758398 15.999 > 8 *9 O 0.23744078799949 0.54407755312443 0.51492047597122 15.999 > 9 10 O 0.73744078799949 0.95592244687557 0.48507952402878 15.999 > 10 11 O 0.26255921200051 0.45592244687557 0.01492047597122 15.999 > 11 12 O 0.76255921200051 0.04407755312443 0.98507952402878 15.999 > 12 13 O 0.76255921200051 0.45592244687557 0.48507952402878 15.999 > 13 14 O 0.26255921200051 0.04407755312443 0.51492047597122 15.999 > 14 15 O 0.73744078799949 0.54407755312443 0.98507952402878 15.999 > 15 16 O 0.23744078799949 0.95592244687557 0.01492047597122 15.999 > 16 *17 O 0.76813469034819 0.25696979539758 0.25241204834581 15.999 > 17 18 O 0.26813469034819 0.24303020460242 0.74758795165419 15.999 > 18 19 O 0.73186530965181 0.74303020460242 0.75241204834581 15.999 > 19 20 O 0.23186530965181 0.75696979539758 0.24758795165419 15.999 > 20 21 O 0.23186530965181 0.74303020460242 0.74758795165419 15.999 > 21 22 O 0.73186530965181 0.75696979539758 0.25241204834581 15.999 > 22 23 O 0.26813469034819 0.25696979539758 0.24758795165419 15.999 > 23 24 O 0.76813469034819 0.24303020460242 0.75241204834581 15.999 > 24 *25 O 0.99975799913563 0.25576829361914 0.45638404696863 15.999 > 25 26 O 0.49975799913563 0.24423170638086 0.54361595303137 15.999 > 26 27 O 0.50024200086437 0.74423170638086 0.95638404696863 15.999 > 27 28 O 0.00024200086437 0.75576829361914 0.04361595303137 15.999 > 28 29 O 0.00024200086437 0.74423170638086 0.54361595303137 15.999 > 29 30 O 0.50024200086437 0.75576829361914 0.45638404696863 15.999 > 30 31 O 0.49975799913563 0.25576829361914 0.04361595303137 15.999 > 31 32 O 0.99975799913563 0.24423170638086 0.95638404696863 15.999 > 32 *33 Na 0.10339901840518 0.33828089430735 0.11918901304767 22.990 > 33 34 Na 0.60339901840518 0.16171910569265 0.88081098695233 22.990 > 34 35 Na 0.39660098159482 0.66171910569265 0.61918901304767 22.990 > 35 36 Na 0.89660098159482 0.83828089430735 0.38081098695233 22.990 > 36 37 Na 0.89660098159482 0.66171910569265 0.88081098695233 22.990 > 37 38 Na 0.39660098159482 0.83828089430735 0.11918901304767 22.990 > 38 39 Na 0.60339901840518 0.33828089430735 0.38081098695233 22.990 > 39 40 Na 0.10339901840518 0.16171910569265 0.61918901304767 22.990 > 40 *41 Na 0.64327069155543 0.89668054213222 0.88702804271881 22.990 > 41 42 Na 0.14327069155543 0.60331945786778 0.11297195728119 22.990 > 42 43 Na 0.85672930844457 0.10331945786778 0.38702804271881 22.990 > 43 44 Na 0.35672930844457 0.39668054213222 0.61297195728119 22.990 > 44 45 Na 0.35672930844457 0.10331945786778 0.11297195728119 22.990 > 45 46 Na 0.85672930844457 0.39668054213222 0.88702804271881 22.990 > 46 47 Na 0.14327069155543 0.89668054213222 0.61297195728119 22.990 > 47 48 Na 0.64327069155543 0.60331945786778 0.38702804271881 22.990 > 48 *49 Na 0.59455818526216 0.85267559372456 0.62425657787695 22.990 > 49 50 Na 0.09455818526216 0.64732440627544 0.37574342212305 22.990 > 50 51 Na 0.90544181473784 0.14732440627544 0.12425657787695 22.990 > 51 52 Na 0.40544181473784 0.35267559372456 0.87574342212305 22.990 > 52 53 Na 0.40544181473784 0.14732440627544 0.37574342212305 22.990 > 53 54 Na 0.90544181473784 0.35267559372456 0.62425657787695 22.990 > 54 55 Na 0.09455818526216 0.85267559372456 0.87574342212305 22.990 > 55 56 Na 0.59455818526216 0.64732440627544 0.12425657787695 22.990 > 56 *57 Na 0.66668708509034 0.38273724155644 0.10649270410620 22.990 > 57 58 Na 0.16668708509034 0.11726275844356 0.89350729589380 22.990 > 58 59 Na 0.83331291490966 0.61726275844356 0.60649270410620 22.990 > 59 60 Na 0.33331291490966 0.88273724155644 0.39350729589380 22.990 > 60 61 Na 0.33331291490966 0.61726275844356 0.89350729589380 22.990 > 61 62 Na 0.83331291490966 0.88273724155644 0.10649270410620 22.990 > 62 63 Na 0.16668708509034 0.38273724155644 0.39350729589380 22.990 > 63 64 Na 0.66668708509034 0.11726275844356 0.60649270410620 22.990 > 64 *65 Na 0.13230049126720 0.38195564048587 0.84928347449532 22.990 > 65 66 Na 0.63230049126720 0.11804435951413 0.15071652550468 22.990 > 66 67 Na 0.36769950873280 0.61804435951413 0.34928347449532 22.990 > 67 68 Na 0.86769950873280 0.88195564048587 0.65071652550468 22.990 > 68 69 Na 0.86769950873280 0.61804435951413 0.15071652550468 22.990 > 69 70 Na 0.36769950873280 0.88195564048587 0.84928347449532 22.990 > 70 71 Na 0.63230049126720 0.38195564048587 0.65071652550468 22.990 > 71 72 Na 0.13230049126720 0.11804435951413 0.34928347449532 22.990 > 72 *73 In 0.88498461075317 0.37813262299540 0.35237677658530 114.818 > 73 74 In 0.38498461075317 0.12186737700460 0.64762322341470 114.818 > 74 75 In 0.61501538924683 0.62186737700461 0.85237677658530 114.818 > 75 76 In 0.11501538924683 0.87813262299539 0.14762322341470 114.818 > 76 77 In 0.11501538924683 0.62186737700461 0.64762322341470 114.818 > 77 78 In 0.61501538924683 0.87813262299539 0.35237677658530 114.818 > 78 79 In 0.38498461075317 0.37813262299540 0.14762322341470 114.818 > 79 80 In 0.88498461075317 0.12186737700460 0.85237677658530 114.818 > 80 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3593001 0.0000000 0.0000000 0.0000000 3.3085292 0.0000000 0.0000000 0.0000000 3.3209135 -------------------------- Born effective charges -------------------------- 1 O -1.8041827 0.2130242 -0.2222817 0.3684317 -1.8387363 0.2878407 -0.2692028 0.2323763 -1.7083761 2 O -1.8041827 -0.2130242 0.2222817 -0.3684317 -1.8387363 0.2878407 0.2692028 0.2323763 -1.7083761 3 O -1.8041827 0.2130242 0.2222817 0.3684317 -1.8387363 -0.2878407 0.2692028 -0.2323763 -1.7083761 4 O -1.8041827 -0.2130242 -0.2222817 -0.3684317 -1.8387363 -0.2878407 -0.2692028 -0.2323763 -1.7083761 5 O -1.8041827 0.2130242 -0.2222817 0.3684317 -1.8387363 0.2878407 -0.2692028 0.2323763 -1.7083761 6 O -1.8041827 -0.2130242 0.2222817 -0.3684317 -1.8387363 0.2878407 0.2692028 0.2323763 -1.7083761 7 O -1.8041827 0.2130242 0.2222817 0.3684317 -1.8387363 -0.2878407 0.2692028 -0.2323763 -1.7083761 8 O -1.8041827 -0.2130242 -0.2222817 -0.3684317 -1.8387363 -0.2878407 -0.2692028 -0.2323763 -1.7083761 9 O -1.8083302 0.1629211 0.1913477 0.1897203 -1.6432339 -0.2871295 0.2716881 -0.1662917 -1.8888432 10 O -1.8083302 -0.1629211 -0.1913477 -0.1897203 -1.6432339 -0.2871295 -0.2716881 -0.1662917 -1.8888432 11 O -1.8083302 0.1629211 -0.1913477 0.1897203 -1.6432339 0.2871295 -0.2716881 0.1662917 -1.8888432 12 O -1.8083302 -0.1629211 0.1913477 -0.1897203 -1.6432339 0.2871295 0.2716881 0.1662917 -1.8888432 13 O -1.8083302 0.1629211 0.1913477 0.1897203 -1.6432339 -0.2871295 0.2716881 -0.1662917 -1.8888432 14 O -1.8083302 -0.1629211 -0.1913477 -0.1897203 -1.6432339 -0.2871295 -0.2716881 -0.1662917 -1.8888432 15 O -1.8083302 0.1629211 -0.1913477 0.1897203 -1.6432339 0.2871295 -0.2716881 0.1662917 -1.8888432 16 O -1.8083302 -0.1629211 0.1913477 -0.1897203 -1.6432339 0.2871295 0.2716881 0.1662917 -1.8888432 17 O -1.8122307 -0.1732964 -0.2408134 -0.2237855 -1.7889066 -0.2184027 -0.2852603 -0.3701784 -1.7352978 18 O -1.8122307 0.1732964 0.2408134 0.2237855 -1.7889066 -0.2184027 0.2852603 -0.3701784 -1.7352978 19 O -1.8122307 -0.1732964 0.2408134 -0.2237855 -1.7889066 0.2184027 0.2852603 0.3701784 -1.7352978 20 O -1.8122307 0.1732964 -0.2408134 0.2237855 -1.7889066 0.2184027 -0.2852603 0.3701784 -1.7352978 21 O -1.8122307 -0.1732964 -0.2408134 -0.2237855 -1.7889066 -0.2184027 -0.2852603 -0.3701784 -1.7352978 22 O -1.8122307 0.1732964 0.2408134 0.2237855 -1.7889066 -0.2184027 0.2852603 -0.3701784 -1.7352978 23 O -1.8122307 -0.1732964 0.2408134 -0.2237855 -1.7889066 0.2184027 0.2852603 0.3701784 -1.7352978 24 O -1.8122307 0.1732964 -0.2408134 0.2237855 -1.7889066 0.2184027 -0.2852603 0.3701784 -1.7352978 25 O -1.7853166 0.3509259 -0.2399524 0.2117748 -1.7611719 0.2099920 -0.2345564 0.2198744 -1.7485980 26 O -1.7853166 -0.3509259 0.2399524 -0.2117748 -1.7611719 0.2099920 0.2345564 0.2198744 -1.7485980 27 O -1.7853166 0.3509259 0.2399524 0.2117748 -1.7611719 -0.2099920 0.2345564 -0.2198744 -1.7485980 28 O -1.7853166 -0.3509259 -0.2399524 -0.2117748 -1.7611719 -0.2099920 -0.2345564 -0.2198744 -1.7485980 29 O -1.7853166 0.3509259 -0.2399524 0.2117748 -1.7611719 0.2099920 -0.2345564 0.2198744 -1.7485980 30 O -1.7853166 -0.3509259 0.2399524 -0.2117748 -1.7611719 0.2099920 0.2345564 0.2198744 -1.7485980 31 O -1.7853166 0.3509259 0.2399524 0.2117748 -1.7611719 -0.2099920 0.2345564 -0.2198744 -1.7485980 32 O -1.7853166 -0.3509259 -0.2399524 -0.2117748 -1.7611719 -0.2099920 -0.2345564 -0.2198744 -1.7485980 33 Na 1.0799693 -0.0125752 -0.0390715 0.0697772 0.8356147 0.0869461 -0.0135052 0.1172360 0.9910257 34 Na 1.0799693 0.0125752 0.0390715 -0.0697772 0.8356147 0.0869461 0.0135052 0.1172360 0.9910257 35 Na 1.0799693 -0.0125752 0.0390715 0.0697772 0.8356147 -0.0869461 0.0135052 -0.1172360 0.9910257 36 Na 1.0799693 0.0125752 -0.0390715 -0.0697772 0.8356147 -0.0869461 -0.0135052 -0.1172360 0.9910257 37 Na 1.0799693 -0.0125752 -0.0390715 0.0697772 0.8356147 0.0869461 -0.0135052 0.1172360 0.9910257 38 Na 1.0799693 0.0125752 0.0390715 -0.0697772 0.8356147 0.0869461 0.0135052 0.1172360 0.9910257 39 Na 1.0799693 -0.0125752 0.0390715 0.0697772 0.8356147 -0.0869461 0.0135052 -0.1172360 0.9910257 40 Na 1.0799693 0.0125752 -0.0390715 -0.0697772 0.8356147 -0.0869461 -0.0135052 -0.1172360 0.9910257 41 Na 0.9403991 0.0268093 0.1680919 0.0213910 1.1270913 -0.0288097 0.0770929 -0.0732516 0.8863526 42 Na 0.9403991 -0.0268093 -0.1680919 -0.0213910 1.1270913 -0.0288097 -0.0770929 -0.0732516 0.8863526 43 Na 0.9403991 0.0268093 -0.1680919 0.0213910 1.1270913 0.0288097 -0.0770929 0.0732516 0.8863526 44 Na 0.9403991 -0.0268093 0.1680919 -0.0213910 1.1270913 0.0288097 0.0770929 0.0732516 0.8863526 45 Na 0.9403991 0.0268093 0.1680919 0.0213910 1.1270913 -0.0288097 0.0770929 -0.0732516 0.8863526 46 Na 0.9403991 -0.0268093 -0.1680919 -0.0213910 1.1270913 -0.0288097 -0.0770929 -0.0732516 0.8863526 47 Na 0.9403991 0.0268093 -0.1680919 0.0213910 1.1270913 0.0288097 -0.0770929 0.0732516 0.8863526 48 Na 0.9403991 -0.0268093 0.1680919 -0.0213910 1.1270913 0.0288097 0.0770929 0.0732516 0.8863526 49 Na 0.8126470 -0.0933556 -0.0859294 -0.0960839 0.9167672 -0.0381765 0.0030491 -0.0935794 1.0257800 50 Na 0.8126470 0.0933556 0.0859294 0.0960839 0.9167672 -0.0381765 -0.0030491 -0.0935794 1.0257800 51 Na 0.8126470 -0.0933556 0.0859294 -0.0960839 0.9167672 0.0381765 -0.0030491 0.0935794 1.0257800 52 Na 0.8126470 0.0933556 -0.0859294 0.0960839 0.9167672 0.0381765 0.0030491 0.0935794 1.0257800 53 Na 0.8126470 -0.0933556 -0.0859294 -0.0960839 0.9167672 -0.0381765 0.0030491 -0.0935794 1.0257800 54 Na 0.8126470 0.0933556 0.0859294 0.0960839 0.9167672 -0.0381765 -0.0030491 -0.0935794 1.0257800 55 Na 0.8126470 -0.0933556 0.0859294 -0.0960839 0.9167672 0.0381765 -0.0030491 0.0935794 1.0257800 56 Na 0.8126470 0.0933556 -0.0859294 0.0960839 0.9167672 0.0381765 0.0030491 0.0935794 1.0257800 57 Na 1.0041922 -0.1340199 0.0043286 -0.0099316 0.8966992 -0.0400641 -0.0246466 -0.0993003 0.9445750 58 Na 1.0041922 0.1340199 -0.0043286 0.0099316 0.8966992 -0.0400641 0.0246466 -0.0993003 0.9445750 59 Na 1.0041922 -0.1340199 -0.0043286 -0.0099316 0.8966992 0.0400641 0.0246466 0.0993003 0.9445750 60 Na 1.0041922 0.1340199 0.0043286 0.0099316 0.8966992 0.0400641 -0.0246466 0.0993003 0.9445750 61 Na 1.0041922 -0.1340199 0.0043286 -0.0099316 0.8966992 -0.0400641 -0.0246466 -0.0993003 0.9445750 62 Na 1.0041922 0.1340199 -0.0043286 0.0099316 0.8966992 -0.0400641 0.0246466 -0.0993003 0.9445750 63 Na 1.0041922 -0.1340199 -0.0043286 -0.0099316 0.8966992 0.0400641 0.0246466 0.0993003 0.9445750 64 Na 1.0041922 0.1340199 0.0043286 0.0099316 0.8966992 0.0400641 -0.0246466 0.0993003 0.9445750 65 Na 1.0178712 0.0585474 -0.0104129 -0.0448209 1.0221173 -0.0832107 0.0908782 0.0196464 0.9914678 66 Na 1.0178712 -0.0585474 0.0104129 0.0448209 1.0221173 -0.0832107 -0.0908782 0.0196464 0.9914678 67 Na 1.0178712 0.0585474 0.0104129 -0.0448209 1.0221173 0.0832107 -0.0908782 -0.0196464 0.9914678 68 Na 1.0178712 -0.0585474 -0.0104129 0.0448209 1.0221173 0.0832107 0.0908782 -0.0196464 0.9914678 69 Na 1.0178712 0.0585474 -0.0104129 -0.0448209 1.0221173 -0.0832107 0.0908782 0.0196464 0.9914678 70 Na 1.0178712 -0.0585474 0.0104129 0.0448209 1.0221173 -0.0832107 -0.0908782 0.0196464 0.9914678 71 Na 1.0178712 0.0585474 0.0104129 -0.0448209 1.0221173 0.0832107 -0.0908782 -0.0196464 0.9914678 72 Na 1.0178712 -0.0585474 -0.0104129 0.0448209 1.0221173 0.0832107 0.0908782 -0.0196464 0.9914678 73 In 2.3549814 0.0252071 0.0038641 0.1395644 2.2337590 0.0458214 -0.0428306 0.0680779 2.2419140 74 In 2.3549814 -0.0252071 -0.0038641 -0.1395644 2.2337590 0.0458214 0.0428306 0.0680779 2.2419140 75 In 2.3549814 0.0252071 -0.0038641 0.1395644 2.2337590 -0.0458214 0.0428306 -0.0680779 2.2419140 76 In 2.3549814 -0.0252071 0.0038641 -0.1395644 2.2337590 -0.0458214 -0.0428306 -0.0680779 2.2419140 77 In 2.3549814 0.0252071 0.0038641 0.1395644 2.2337590 0.0458214 -0.0428306 0.0680779 2.2419140 78 In 2.3549814 -0.0252071 -0.0038641 -0.1395644 2.2337590 0.0458214 0.0428306 0.0680779 2.2419140 79 In 2.3549814 0.0252071 -0.0038641 0.1395644 2.2337590 -0.0458214 0.0428306 -0.0680779 2.2419140 80 In 2.3549814 -0.0252071 0.0038641 -0.1395644 2.2337590 -0.0458214 -0.0428306 -0.0680779 2.2419140 ---------------------------------------------------------------------------- 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: 240/240 Permutation basis: 28680/28680 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3720 Number of blocks in projector: 3720 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: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 280 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 280 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 280 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 440 Use standard eigh solver. Tree of FC basis block matrices: - (3720, 3630), data: False |-- (440, 430), data: True |-- (440, 430), data: True |-- (440, 430), data: True |-- (800, 780), data: False |-- (800, 20), data: (800, 40) @ (40, 20) |-- (300, 280), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True |-- (800, 780), data: False |-- (800, 20), data: (800, 40) @ (40, 20) |-- (300, 280), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True |-- (800, 780), data: False |-- (800, 20), data: (800, 40) @ (40, 20) |-- (300, 280), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 1200 - Time: 0.709 Solver_block: 200 / 1200 - Time: 0.599 Solver_block: 300 / 1200 - Time: 0.596 Solver_block: 400 / 1200 - Time: 0.599 Solver_block: 500 / 1200 - Time: 0.596 Solver_block: 600 / 1200 - Time: 0.599 Solver_block: 700 / 1200 - Time: 0.599 Solver_block: 800 / 1200 - Time: 0.599 Solver_block: 900 / 1200 - Time: 0.597 Solver_block: 1000 / 1200 - Time: 0.600 Solver_block: 1100 / 1200 - Time: 0.600 Solver_block: 1200 / 1200 - Time: 0.595 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 7.466 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 240/240 Permutation basis: 28680/28680 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3720 Number of blocks in projector: 3720 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: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 280 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 280 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 280 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 440 Use standard eigh solver. Tree of FC basis block matrices: - (3720, 3630), data: False |-- (440, 430), data: True |-- (440, 430), data: True |-- (440, 430), data: True |-- (800, 780), data: False |-- (800, 20), data: (800, 40) @ (40, 20) |-- (300, 280), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True |-- (800, 780), data: False |-- (800, 20), data: (800, 40) @ (40, 20) |-- (300, 280), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True |-- (800, 780), data: False |-- (800, 20), data: (800, 40) @ (40, 20) |-- (300, 280), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) 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 00:40:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:40:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.560277559999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.769207440000001 0.000000000000000 c 0.000000000000000 0.000000000000000 10.699009830000000 Atomic positions (fractional): 1 O 0.51029395266474 0.01182779100597 0.74742216758397 15.999 2 O 0.01029395266474 0.48817220899404 0.25257783241602 15.999 3 O 0.98970604733526 0.98817220899404 0.24742216758398 15.999 4 O 0.48970604733526 0.51182779100596 0.75257783241603 15.999 5 O 0.48970604733526 0.98817220899404 0.25257783241602 15.999 6 O 0.98970604733526 0.51182779100596 0.74742216758397 15.999 7 O 0.01029395266474 0.01182779100597 0.75257783241603 15.999 8 O 0.51029395266474 0.48817220899404 0.24742216758398 15.999 9 O 0.23744078799949 0.54407755312443 0.51492047597122 15.999 10 O 0.73744078799949 0.95592244687557 0.48507952402878 15.999 11 O 0.26255921200051 0.45592244687557 0.01492047597122 15.999 12 O 0.76255921200051 0.04407755312443 0.98507952402878 15.999 13 O 0.76255921200051 0.45592244687557 0.48507952402878 15.999 14 O 0.26255921200051 0.04407755312443 0.51492047597122 15.999 15 O 0.73744078799949 0.54407755312443 0.98507952402878 15.999 16 O 0.23744078799949 0.95592244687557 0.01492047597122 15.999 17 O 0.76813469034819 0.25696979539758 0.25241204834581 15.999 18 O 0.26813469034819 0.24303020460242 0.74758795165419 15.999 19 O 0.73186530965181 0.74303020460242 0.75241204834581 15.999 20 O 0.23186530965181 0.75696979539758 0.24758795165419 15.999 21 O 0.23186530965181 0.74303020460242 0.74758795165419 15.999 22 O 0.73186530965181 0.75696979539758 0.25241204834581 15.999 23 O 0.26813469034819 0.25696979539758 0.24758795165419 15.999 24 O 0.76813469034819 0.24303020460242 0.75241204834581 15.999 25 O 0.99975799913563 0.25576829361914 0.45638404696863 15.999 26 O 0.49975799913563 0.24423170638086 0.54361595303137 15.999 27 O 0.50024200086437 0.74423170638086 0.95638404696863 15.999 28 O 0.00024200086437 0.75576829361914 0.04361595303137 15.999 29 O 0.00024200086437 0.74423170638086 0.54361595303137 15.999 30 O 0.50024200086437 0.75576829361914 0.45638404696863 15.999 31 O 0.49975799913563 0.25576829361914 0.04361595303137 15.999 32 O 0.99975799913563 0.24423170638086 0.95638404696863 15.999 33 Na 0.10339901840518 0.33828089430735 0.11918901304767 22.990 34 Na 0.60339901840518 0.16171910569265 0.88081098695233 22.990 35 Na 0.39660098159482 0.66171910569265 0.61918901304767 22.990 36 Na 0.89660098159482 0.83828089430735 0.38081098695233 22.990 37 Na 0.89660098159482 0.66171910569265 0.88081098695233 22.990 38 Na 0.39660098159482 0.83828089430735 0.11918901304767 22.990 39 Na 0.60339901840518 0.33828089430735 0.38081098695233 22.990 40 Na 0.10339901840518 0.16171910569265 0.61918901304767 22.990 41 Na 0.64327069155543 0.89668054213222 0.88702804271881 22.990 42 Na 0.14327069155543 0.60331945786778 0.11297195728119 22.990 43 Na 0.85672930844457 0.10331945786778 0.38702804271881 22.990 44 Na 0.35672930844457 0.39668054213222 0.61297195728119 22.990 45 Na 0.35672930844457 0.10331945786778 0.11297195728119 22.990 46 Na 0.85672930844457 0.39668054213222 0.88702804271881 22.990 47 Na 0.14327069155543 0.89668054213222 0.61297195728119 22.990 48 Na 0.64327069155543 0.60331945786778 0.38702804271881 22.990 49 Na 0.59455818526216 0.85267559372456 0.62425657787695 22.990 50 Na 0.09455818526216 0.64732440627544 0.37574342212305 22.990 51 Na 0.90544181473784 0.14732440627544 0.12425657787695 22.990 52 Na 0.40544181473784 0.35267559372456 0.87574342212305 22.990 53 Na 0.40544181473784 0.14732440627544 0.37574342212305 22.990 54 Na 0.90544181473784 0.35267559372456 0.62425657787695 22.990 55 Na 0.09455818526216 0.85267559372456 0.87574342212305 22.990 56 Na 0.59455818526216 0.64732440627544 0.12425657787695 22.990 57 Na 0.66668708509034 0.38273724155644 0.10649270410620 22.990 58 Na 0.16668708509034 0.11726275844356 0.89350729589380 22.990 59 Na 0.83331291490966 0.61726275844356 0.60649270410620 22.990 60 Na 0.33331291490966 0.88273724155644 0.39350729589380 22.990 61 Na 0.33331291490966 0.61726275844356 0.89350729589380 22.990 62 Na 0.83331291490966 0.88273724155644 0.10649270410620 22.990 63 Na 0.16668708509034 0.38273724155644 0.39350729589380 22.990 64 Na 0.66668708509034 0.11726275844356 0.60649270410620 22.990 65 Na 0.13230049126720 0.38195564048587 0.84928347449532 22.990 66 Na 0.63230049126720 0.11804435951413 0.15071652550468 22.990 67 Na 0.36769950873280 0.61804435951413 0.34928347449532 22.990 68 Na 0.86769950873280 0.88195564048587 0.65071652550468 22.990 69 Na 0.86769950873280 0.61804435951413 0.15071652550468 22.990 70 Na 0.36769950873280 0.88195564048587 0.84928347449532 22.990 71 Na 0.63230049126720 0.38195564048587 0.65071652550468 22.990 72 Na 0.13230049126720 0.11804435951413 0.34928347449532 22.990 73 In 0.88498461075317 0.37813262299540 0.35237677658530 114.818 74 In 0.38498461075317 0.12186737700460 0.64762322341470 114.818 75 In 0.61501538924683 0.62186737700461 0.85237677658530 114.818 76 In 0.11501538924683 0.87813262299539 0.14762322341470 114.818 77 In 0.11501538924683 0.62186737700461 0.64762322341470 114.818 78 In 0.61501538924683 0.87813262299539 0.35237677658530 114.818 79 In 0.38498461075317 0.37813262299540 0.14762322341470 114.818 80 In 0.88498461075317 0.12186737700460 0.85237677658530 114.818 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.560277559999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.769207440000001 0.000000000000000 c 0.000000000000000 0.000000000000000 10.699009830000000 Atomic positions (fractional): 1 O 0.51029395266474 0.01182779100597 0.74742216758397 15.999 > 1 2 O 0.01029395266474 0.48817220899404 0.25257783241602 15.999 > 2 3 O 0.98970604733526 0.98817220899404 0.24742216758398 15.999 > 3 4 O 0.48970604733526 0.51182779100596 0.75257783241603 15.999 > 4 5 O 0.48970604733526 0.98817220899404 0.25257783241602 15.999 > 5 6 O 0.98970604733526 0.51182779100596 0.74742216758397 15.999 > 6 7 O 0.01029395266474 0.01182779100597 0.75257783241603 15.999 > 7 8 O 0.51029395266474 0.48817220899404 0.24742216758398 15.999 > 8 9 O 0.23744078799949 0.54407755312443 0.51492047597122 15.999 > 9 10 O 0.73744078799949 0.95592244687557 0.48507952402878 15.999 > 10 11 O 0.26255921200051 0.45592244687557 0.01492047597122 15.999 > 11 12 O 0.76255921200051 0.04407755312443 0.98507952402878 15.999 > 12 13 O 0.76255921200051 0.45592244687557 0.48507952402878 15.999 > 13 14 O 0.26255921200051 0.04407755312443 0.51492047597122 15.999 > 14 15 O 0.73744078799949 0.54407755312443 0.98507952402878 15.999 > 15 16 O 0.23744078799949 0.95592244687557 0.01492047597122 15.999 > 16 17 O 0.76813469034819 0.25696979539758 0.25241204834581 15.999 > 17 18 O 0.26813469034819 0.24303020460242 0.74758795165419 15.999 > 18 19 O 0.73186530965181 0.74303020460242 0.75241204834581 15.999 > 19 20 O 0.23186530965181 0.75696979539758 0.24758795165419 15.999 > 20 21 O 0.23186530965181 0.74303020460242 0.74758795165419 15.999 > 21 22 O 0.73186530965181 0.75696979539758 0.25241204834581 15.999 > 22 23 O 0.26813469034819 0.25696979539758 0.24758795165419 15.999 > 23 24 O 0.76813469034819 0.24303020460242 0.75241204834581 15.999 > 24 25 O 0.99975799913563 0.25576829361914 0.45638404696863 15.999 > 25 26 O 0.49975799913563 0.24423170638086 0.54361595303137 15.999 > 26 27 O 0.50024200086437 0.74423170638086 0.95638404696863 15.999 > 27 28 O 0.00024200086437 0.75576829361914 0.04361595303137 15.999 > 28 29 O 0.00024200086437 0.74423170638086 0.54361595303137 15.999 > 29 30 O 0.50024200086437 0.75576829361914 0.45638404696863 15.999 > 30 31 O 0.49975799913563 0.25576829361914 0.04361595303137 15.999 > 31 32 O 0.99975799913563 0.24423170638086 0.95638404696863 15.999 > 32 33 Na 0.10339901840518 0.33828089430735 0.11918901304767 22.990 > 33 34 Na 0.60339901840518 0.16171910569265 0.88081098695233 22.990 > 34 35 Na 0.39660098159482 0.66171910569265 0.61918901304767 22.990 > 35 36 Na 0.89660098159482 0.83828089430735 0.38081098695233 22.990 > 36 37 Na 0.89660098159482 0.66171910569265 0.88081098695233 22.990 > 37 38 Na 0.39660098159482 0.83828089430735 0.11918901304767 22.990 > 38 39 Na 0.60339901840518 0.33828089430735 0.38081098695233 22.990 > 39 40 Na 0.10339901840518 0.16171910569265 0.61918901304767 22.990 > 40 41 Na 0.64327069155543 0.89668054213222 0.88702804271881 22.990 > 41 42 Na 0.14327069155543 0.60331945786778 0.11297195728119 22.990 > 42 43 Na 0.85672930844457 0.10331945786778 0.38702804271881 22.990 > 43 44 Na 0.35672930844457 0.39668054213222 0.61297195728119 22.990 > 44 45 Na 0.35672930844457 0.10331945786778 0.11297195728119 22.990 > 45 46 Na 0.85672930844457 0.39668054213222 0.88702804271881 22.990 > 46 47 Na 0.14327069155543 0.89668054213222 0.61297195728119 22.990 > 47 48 Na 0.64327069155543 0.60331945786778 0.38702804271881 22.990 > 48 49 Na 0.59455818526216 0.85267559372456 0.62425657787695 22.990 > 49 50 Na 0.09455818526216 0.64732440627544 0.37574342212305 22.990 > 50 51 Na 0.90544181473784 0.14732440627544 0.12425657787695 22.990 > 51 52 Na 0.40544181473784 0.35267559372456 0.87574342212305 22.990 > 52 53 Na 0.40544181473784 0.14732440627544 0.37574342212305 22.990 > 53 54 Na 0.90544181473784 0.35267559372456 0.62425657787695 22.990 > 54 55 Na 0.09455818526216 0.85267559372456 0.87574342212305 22.990 > 55 56 Na 0.59455818526216 0.64732440627544 0.12425657787695 22.990 > 56 57 Na 0.66668708509034 0.38273724155644 0.10649270410620 22.990 > 57 58 Na 0.16668708509034 0.11726275844356 0.89350729589380 22.990 > 58 59 Na 0.83331291490966 0.61726275844356 0.60649270410620 22.990 > 59 60 Na 0.33331291490966 0.88273724155644 0.39350729589380 22.990 > 60 61 Na 0.33331291490966 0.61726275844356 0.89350729589380 22.990 > 61 62 Na 0.83331291490966 0.88273724155644 0.10649270410620 22.990 > 62 63 Na 0.16668708509034 0.38273724155644 0.39350729589380 22.990 > 63 64 Na 0.66668708509034 0.11726275844356 0.60649270410620 22.990 > 64 65 Na 0.13230049126720 0.38195564048587 0.84928347449532 22.990 > 65 66 Na 0.63230049126720 0.11804435951413 0.15071652550468 22.990 > 66 67 Na 0.36769950873280 0.61804435951413 0.34928347449532 22.990 > 67 68 Na 0.86769950873280 0.88195564048587 0.65071652550468 22.990 > 68 69 Na 0.86769950873280 0.61804435951413 0.15071652550468 22.990 > 69 70 Na 0.36769950873280 0.88195564048587 0.84928347449532 22.990 > 70 71 Na 0.63230049126720 0.38195564048587 0.65071652550468 22.990 > 71 72 Na 0.13230049126720 0.11804435951413 0.34928347449532 22.990 > 72 73 In 0.88498461075317 0.37813262299540 0.35237677658530 114.818 > 73 74 In 0.38498461075317 0.12186737700460 0.64762322341470 114.818 > 74 75 In 0.61501538924683 0.62186737700461 0.85237677658530 114.818 > 75 76 In 0.11501538924683 0.87813262299539 0.14762322341470 114.818 > 76 77 In 0.11501538924683 0.62186737700461 0.64762322341470 114.818 > 77 78 In 0.61501538924683 0.87813262299539 0.35237677658530 114.818 > 78 79 In 0.38498461075317 0.37813262299540 0.14762322341470 114.818 > 79 80 In 0.88498461075317 0.12186737700460 0.85237677658530 114.818 > 80 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3593001 0.0000000 0.0000000 0.0000000 3.3085292 0.0000000 0.0000000 0.0000000 3.3209135 -------------------------- Born effective charges -------------------------- 1 O -1.8041827 0.2130242 -0.2222817 0.3684317 -1.8387363 0.2878407 -0.2692028 0.2323763 -1.7083761 2 O -1.8041827 -0.2130242 0.2222817 -0.3684317 -1.8387363 0.2878407 0.2692028 0.2323763 -1.7083761 3 O -1.8041827 0.2130242 0.2222817 0.3684317 -1.8387363 -0.2878407 0.2692028 -0.2323763 -1.7083761 4 O -1.8041827 -0.2130242 -0.2222817 -0.3684317 -1.8387363 -0.2878407 -0.2692028 -0.2323763 -1.7083761 5 O -1.8041827 0.2130242 -0.2222817 0.3684317 -1.8387363 0.2878407 -0.2692028 0.2323763 -1.7083761 6 O -1.8041827 -0.2130242 0.2222817 -0.3684317 -1.8387363 0.2878407 0.2692028 0.2323763 -1.7083761 7 O -1.8041827 0.2130242 0.2222817 0.3684317 -1.8387363 -0.2878407 0.2692028 -0.2323763 -1.7083761 8 O -1.8041827 -0.2130242 -0.2222817 -0.3684317 -1.8387363 -0.2878407 -0.2692028 -0.2323763 -1.7083761 9 O -1.8083302 0.1629211 0.1913477 0.1897203 -1.6432339 -0.2871295 0.2716881 -0.1662917 -1.8888432 10 O -1.8083302 -0.1629211 -0.1913477 -0.1897203 -1.6432339 -0.2871295 -0.2716881 -0.1662917 -1.8888432 11 O -1.8083302 0.1629211 -0.1913477 0.1897203 -1.6432339 0.2871295 -0.2716881 0.1662917 -1.8888432 12 O -1.8083302 -0.1629211 0.1913477 -0.1897203 -1.6432339 0.2871295 0.2716881 0.1662917 -1.8888432 13 O -1.8083302 0.1629211 0.1913477 0.1897203 -1.6432339 -0.2871295 0.2716881 -0.1662917 -1.8888432 14 O -1.8083302 -0.1629211 -0.1913477 -0.1897203 -1.6432339 -0.2871295 -0.2716881 -0.1662917 -1.8888432 15 O -1.8083302 0.1629211 -0.1913477 0.1897203 -1.6432339 0.2871295 -0.2716881 0.1662917 -1.8888432 16 O -1.8083302 -0.1629211 0.1913477 -0.1897203 -1.6432339 0.2871295 0.2716881 0.1662917 -1.8888432 17 O -1.8122307 -0.1732964 -0.2408134 -0.2237855 -1.7889066 -0.2184027 -0.2852603 -0.3701784 -1.7352978 18 O -1.8122307 0.1732964 0.2408134 0.2237855 -1.7889066 -0.2184027 0.2852603 -0.3701784 -1.7352978 19 O -1.8122307 -0.1732964 0.2408134 -0.2237855 -1.7889066 0.2184027 0.2852603 0.3701784 -1.7352978 20 O -1.8122307 0.1732964 -0.2408134 0.2237855 -1.7889066 0.2184027 -0.2852603 0.3701784 -1.7352978 21 O -1.8122307 -0.1732964 -0.2408134 -0.2237855 -1.7889066 -0.2184027 -0.2852603 -0.3701784 -1.7352978 22 O -1.8122307 0.1732964 0.2408134 0.2237855 -1.7889066 -0.2184027 0.2852603 -0.3701784 -1.7352978 23 O -1.8122307 -0.1732964 0.2408134 -0.2237855 -1.7889066 0.2184027 0.2852603 0.3701784 -1.7352978 24 O -1.8122307 0.1732964 -0.2408134 0.2237855 -1.7889066 0.2184027 -0.2852603 0.3701784 -1.7352978 25 O -1.7853166 0.3509259 -0.2399524 0.2117748 -1.7611719 0.2099920 -0.2345564 0.2198744 -1.7485980 26 O -1.7853166 -0.3509259 0.2399524 -0.2117748 -1.7611719 0.2099920 0.2345564 0.2198744 -1.7485980 27 O -1.7853166 0.3509259 0.2399524 0.2117748 -1.7611719 -0.2099920 0.2345564 -0.2198744 -1.7485980 28 O -1.7853166 -0.3509259 -0.2399524 -0.2117748 -1.7611719 -0.2099920 -0.2345564 -0.2198744 -1.7485980 29 O -1.7853166 0.3509259 -0.2399524 0.2117748 -1.7611719 0.2099920 -0.2345564 0.2198744 -1.7485980 30 O -1.7853166 -0.3509259 0.2399524 -0.2117748 -1.7611719 0.2099920 0.2345564 0.2198744 -1.7485980 31 O -1.7853166 0.3509259 0.2399524 0.2117748 -1.7611719 -0.2099920 0.2345564 -0.2198744 -1.7485980 32 O -1.7853166 -0.3509259 -0.2399524 -0.2117748 -1.7611719 -0.2099920 -0.2345564 -0.2198744 -1.7485980 33 Na 1.0799693 -0.0125752 -0.0390715 0.0697772 0.8356147 0.0869461 -0.0135052 0.1172360 0.9910257 34 Na 1.0799693 0.0125752 0.0390715 -0.0697772 0.8356147 0.0869461 0.0135052 0.1172360 0.9910257 35 Na 1.0799693 -0.0125752 0.0390715 0.0697772 0.8356147 -0.0869461 0.0135052 -0.1172360 0.9910257 36 Na 1.0799693 0.0125752 -0.0390715 -0.0697772 0.8356147 -0.0869461 -0.0135052 -0.1172360 0.9910257 37 Na 1.0799693 -0.0125752 -0.0390715 0.0697772 0.8356147 0.0869461 -0.0135052 0.1172360 0.9910257 38 Na 1.0799693 0.0125752 0.0390715 -0.0697772 0.8356147 0.0869461 0.0135052 0.1172360 0.9910257 39 Na 1.0799693 -0.0125752 0.0390715 0.0697772 0.8356147 -0.0869461 0.0135052 -0.1172360 0.9910257 40 Na 1.0799693 0.0125752 -0.0390715 -0.0697772 0.8356147 -0.0869461 -0.0135052 -0.1172360 0.9910257 41 Na 0.9403991 0.0268093 0.1680919 0.0213910 1.1270913 -0.0288097 0.0770929 -0.0732516 0.8863526 42 Na 0.9403991 -0.0268093 -0.1680919 -0.0213910 1.1270913 -0.0288097 -0.0770929 -0.0732516 0.8863526 43 Na 0.9403991 0.0268093 -0.1680919 0.0213910 1.1270913 0.0288097 -0.0770929 0.0732516 0.8863526 44 Na 0.9403991 -0.0268093 0.1680919 -0.0213910 1.1270913 0.0288097 0.0770929 0.0732516 0.8863526 45 Na 0.9403991 0.0268093 0.1680919 0.0213910 1.1270913 -0.0288097 0.0770929 -0.0732516 0.8863526 46 Na 0.9403991 -0.0268093 -0.1680919 -0.0213910 1.1270913 -0.0288097 -0.0770929 -0.0732516 0.8863526 47 Na 0.9403991 0.0268093 -0.1680919 0.0213910 1.1270913 0.0288097 -0.0770929 0.0732516 0.8863526 48 Na 0.9403991 -0.0268093 0.1680919 -0.0213910 1.1270913 0.0288097 0.0770929 0.0732516 0.8863526 49 Na 0.8126470 -0.0933556 -0.0859294 -0.0960839 0.9167672 -0.0381765 0.0030491 -0.0935794 1.0257800 50 Na 0.8126470 0.0933556 0.0859294 0.0960839 0.9167672 -0.0381765 -0.0030491 -0.0935794 1.0257800 51 Na 0.8126470 -0.0933556 0.0859294 -0.0960839 0.9167672 0.0381765 -0.0030491 0.0935794 1.0257800 52 Na 0.8126470 0.0933556 -0.0859294 0.0960839 0.9167672 0.0381765 0.0030491 0.0935794 1.0257800 53 Na 0.8126470 -0.0933556 -0.0859294 -0.0960839 0.9167672 -0.0381765 0.0030491 -0.0935794 1.0257800 54 Na 0.8126470 0.0933556 0.0859294 0.0960839 0.9167672 -0.0381765 -0.0030491 -0.0935794 1.0257800 55 Na 0.8126470 -0.0933556 0.0859294 -0.0960839 0.9167672 0.0381765 -0.0030491 0.0935794 1.0257800 56 Na 0.8126470 0.0933556 -0.0859294 0.0960839 0.9167672 0.0381765 0.0030491 0.0935794 1.0257800 57 Na 1.0041922 -0.1340199 0.0043286 -0.0099316 0.8966992 -0.0400641 -0.0246466 -0.0993003 0.9445750 58 Na 1.0041922 0.1340199 -0.0043286 0.0099316 0.8966992 -0.0400641 0.0246466 -0.0993003 0.9445750 59 Na 1.0041922 -0.1340199 -0.0043286 -0.0099316 0.8966992 0.0400641 0.0246466 0.0993003 0.9445750 60 Na 1.0041922 0.1340199 0.0043286 0.0099316 0.8966992 0.0400641 -0.0246466 0.0993003 0.9445750 61 Na 1.0041922 -0.1340199 0.0043286 -0.0099316 0.8966992 -0.0400641 -0.0246466 -0.0993003 0.9445750 62 Na 1.0041922 0.1340199 -0.0043286 0.0099316 0.8966992 -0.0400641 0.0246466 -0.0993003 0.9445750 63 Na 1.0041922 -0.1340199 -0.0043286 -0.0099316 0.8966992 0.0400641 0.0246466 0.0993003 0.9445750 64 Na 1.0041922 0.1340199 0.0043286 0.0099316 0.8966992 0.0400641 -0.0246466 0.0993003 0.9445750 65 Na 1.0178712 0.0585474 -0.0104129 -0.0448209 1.0221173 -0.0832107 0.0908782 0.0196464 0.9914678 66 Na 1.0178712 -0.0585474 0.0104129 0.0448209 1.0221173 -0.0832107 -0.0908782 0.0196464 0.9914678 67 Na 1.0178712 0.0585474 0.0104129 -0.0448209 1.0221173 0.0832107 -0.0908782 -0.0196464 0.9914678 68 Na 1.0178712 -0.0585474 -0.0104129 0.0448209 1.0221173 0.0832107 0.0908782 -0.0196464 0.9914678 69 Na 1.0178712 0.0585474 -0.0104129 -0.0448209 1.0221173 -0.0832107 0.0908782 0.0196464 0.9914678 70 Na 1.0178712 -0.0585474 0.0104129 0.0448209 1.0221173 -0.0832107 -0.0908782 0.0196464 0.9914678 71 Na 1.0178712 0.0585474 0.0104129 -0.0448209 1.0221173 0.0832107 -0.0908782 -0.0196464 0.9914678 72 Na 1.0178712 -0.0585474 -0.0104129 0.0448209 1.0221173 0.0832107 0.0908782 -0.0196464 0.9914678 73 In 2.3549814 0.0252071 0.0038641 0.1395644 2.2337590 0.0458214 -0.0428306 0.0680779 2.2419140 74 In 2.3549814 -0.0252071 -0.0038641 -0.1395644 2.2337590 0.0458214 0.0428306 0.0680779 2.2419140 75 In 2.3549814 0.0252071 -0.0038641 0.1395644 2.2337590 -0.0458214 0.0428306 -0.0680779 2.2419140 76 In 2.3549814 -0.0252071 0.0038641 -0.1395644 2.2337590 -0.0458214 -0.0428306 -0.0680779 2.2419140 77 In 2.3549814 0.0252071 0.0038641 0.1395644 2.2337590 0.0458214 -0.0428306 0.0680779 2.2419140 78 In 2.3549814 -0.0252071 -0.0038641 -0.1395644 2.2337590 0.0458214 0.0428306 0.0680779 2.2419140 79 In 2.3549814 0.0252071 -0.0038641 0.1395644 2.2337590 -0.0458214 0.0428306 -0.0680779 2.2419140 80 In 2.3549814 -0.0252071 0.0038641 -0.1395644 2.2337590 -0.0458214 -0.0428306 -0.0680779 2.2419140 ---------------------------------------------------------------------------- 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[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xzz) 0.00000000 (zxz) 0.00000000 (zzx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) 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 00:41:20]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:41:20]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.560277559999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.769207440000001 0.000000000000000 c 0.000000000000000 0.000000000000000 10.699009830000000 Atomic positions (fractional): 1 O 0.51029395266474 0.01182779100597 0.74742216758397 15.999 2 O 0.01029395266474 0.48817220899404 0.25257783241602 15.999 3 O 0.98970604733526 0.98817220899404 0.24742216758398 15.999 4 O 0.48970604733526 0.51182779100596 0.75257783241603 15.999 5 O 0.48970604733526 0.98817220899404 0.25257783241602 15.999 6 O 0.98970604733526 0.51182779100596 0.74742216758397 15.999 7 O 0.01029395266474 0.01182779100597 0.75257783241603 15.999 8 O 0.51029395266474 0.48817220899404 0.24742216758398 15.999 9 O 0.23744078799949 0.54407755312443 0.51492047597122 15.999 10 O 0.73744078799949 0.95592244687557 0.48507952402878 15.999 11 O 0.26255921200051 0.45592244687557 0.01492047597122 15.999 12 O 0.76255921200051 0.04407755312443 0.98507952402878 15.999 13 O 0.76255921200051 0.45592244687557 0.48507952402878 15.999 14 O 0.26255921200051 0.04407755312443 0.51492047597122 15.999 15 O 0.73744078799949 0.54407755312443 0.98507952402878 15.999 16 O 0.23744078799949 0.95592244687557 0.01492047597122 15.999 17 O 0.76813469034819 0.25696979539758 0.25241204834581 15.999 18 O 0.26813469034819 0.24303020460242 0.74758795165419 15.999 19 O 0.73186530965181 0.74303020460242 0.75241204834581 15.999 20 O 0.23186530965181 0.75696979539758 0.24758795165419 15.999 21 O 0.23186530965181 0.74303020460242 0.74758795165419 15.999 22 O 0.73186530965181 0.75696979539758 0.25241204834581 15.999 23 O 0.26813469034819 0.25696979539758 0.24758795165419 15.999 24 O 0.76813469034819 0.24303020460242 0.75241204834581 15.999 25 O 0.99975799913563 0.25576829361914 0.45638404696863 15.999 26 O 0.49975799913563 0.24423170638086 0.54361595303137 15.999 27 O 0.50024200086437 0.74423170638086 0.95638404696863 15.999 28 O 0.00024200086437 0.75576829361914 0.04361595303137 15.999 29 O 0.00024200086437 0.74423170638086 0.54361595303137 15.999 30 O 0.50024200086437 0.75576829361914 0.45638404696863 15.999 31 O 0.49975799913563 0.25576829361914 0.04361595303137 15.999 32 O 0.99975799913563 0.24423170638086 0.95638404696863 15.999 33 Na 0.10339901840518 0.33828089430735 0.11918901304767 22.990 34 Na 0.60339901840518 0.16171910569265 0.88081098695233 22.990 35 Na 0.39660098159482 0.66171910569265 0.61918901304767 22.990 36 Na 0.89660098159482 0.83828089430735 0.38081098695233 22.990 37 Na 0.89660098159482 0.66171910569265 0.88081098695233 22.990 38 Na 0.39660098159482 0.83828089430735 0.11918901304767 22.990 39 Na 0.60339901840518 0.33828089430735 0.38081098695233 22.990 40 Na 0.10339901840518 0.16171910569265 0.61918901304767 22.990 41 Na 0.64327069155543 0.89668054213222 0.88702804271881 22.990 42 Na 0.14327069155543 0.60331945786778 0.11297195728119 22.990 43 Na 0.85672930844457 0.10331945786778 0.38702804271881 22.990 44 Na 0.35672930844457 0.39668054213222 0.61297195728119 22.990 45 Na 0.35672930844457 0.10331945786778 0.11297195728119 22.990 46 Na 0.85672930844457 0.39668054213222 0.88702804271881 22.990 47 Na 0.14327069155543 0.89668054213222 0.61297195728119 22.990 48 Na 0.64327069155543 0.60331945786778 0.38702804271881 22.990 49 Na 0.59455818526216 0.85267559372456 0.62425657787695 22.990 50 Na 0.09455818526216 0.64732440627544 0.37574342212305 22.990 51 Na 0.90544181473784 0.14732440627544 0.12425657787695 22.990 52 Na 0.40544181473784 0.35267559372456 0.87574342212305 22.990 53 Na 0.40544181473784 0.14732440627544 0.37574342212305 22.990 54 Na 0.90544181473784 0.35267559372456 0.62425657787695 22.990 55 Na 0.09455818526216 0.85267559372456 0.87574342212305 22.990 56 Na 0.59455818526216 0.64732440627544 0.12425657787695 22.990 57 Na 0.66668708509034 0.38273724155644 0.10649270410620 22.990 58 Na 0.16668708509034 0.11726275844356 0.89350729589380 22.990 59 Na 0.83331291490966 0.61726275844356 0.60649270410620 22.990 60 Na 0.33331291490966 0.88273724155644 0.39350729589380 22.990 61 Na 0.33331291490966 0.61726275844356 0.89350729589380 22.990 62 Na 0.83331291490966 0.88273724155644 0.10649270410620 22.990 63 Na 0.16668708509034 0.38273724155644 0.39350729589380 22.990 64 Na 0.66668708509034 0.11726275844356 0.60649270410620 22.990 65 Na 0.13230049126720 0.38195564048587 0.84928347449532 22.990 66 Na 0.63230049126720 0.11804435951413 0.15071652550468 22.990 67 Na 0.36769950873280 0.61804435951413 0.34928347449532 22.990 68 Na 0.86769950873280 0.88195564048587 0.65071652550468 22.990 69 Na 0.86769950873280 0.61804435951413 0.15071652550468 22.990 70 Na 0.36769950873280 0.88195564048587 0.84928347449532 22.990 71 Na 0.63230049126720 0.38195564048587 0.65071652550468 22.990 72 Na 0.13230049126720 0.11804435951413 0.34928347449532 22.990 73 In 0.88498461075317 0.37813262299540 0.35237677658530 114.818 74 In 0.38498461075317 0.12186737700460 0.64762322341470 114.818 75 In 0.61501538924683 0.62186737700461 0.85237677658530 114.818 76 In 0.11501538924683 0.87813262299539 0.14762322341470 114.818 77 In 0.11501538924683 0.62186737700461 0.64762322341470 114.818 78 In 0.61501538924683 0.87813262299539 0.35237677658530 114.818 79 In 0.38498461075317 0.37813262299540 0.14762322341470 114.818 80 In 0.88498461075317 0.12186737700460 0.85237677658530 114.818 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.560277559999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.769207440000001 0.000000000000000 c 0.000000000000000 0.000000000000000 10.699009830000000 Atomic positions (fractional): 1 O 0.51029395266474 0.01182779100597 0.74742216758397 15.999 > 1 2 O 0.01029395266474 0.48817220899404 0.25257783241602 15.999 > 2 3 O 0.98970604733526 0.98817220899404 0.24742216758398 15.999 > 3 4 O 0.48970604733526 0.51182779100596 0.75257783241603 15.999 > 4 5 O 0.48970604733526 0.98817220899404 0.25257783241602 15.999 > 5 6 O 0.98970604733526 0.51182779100596 0.74742216758397 15.999 > 6 7 O 0.01029395266474 0.01182779100597 0.75257783241603 15.999 > 7 8 O 0.51029395266474 0.48817220899404 0.24742216758398 15.999 > 8 9 O 0.23744078799949 0.54407755312443 0.51492047597122 15.999 > 9 10 O 0.73744078799949 0.95592244687557 0.48507952402878 15.999 > 10 11 O 0.26255921200051 0.45592244687557 0.01492047597122 15.999 > 11 12 O 0.76255921200051 0.04407755312443 0.98507952402878 15.999 > 12 13 O 0.76255921200051 0.45592244687557 0.48507952402878 15.999 > 13 14 O 0.26255921200051 0.04407755312443 0.51492047597122 15.999 > 14 15 O 0.73744078799949 0.54407755312443 0.98507952402878 15.999 > 15 16 O 0.23744078799949 0.95592244687557 0.01492047597122 15.999 > 16 17 O 0.76813469034819 0.25696979539758 0.25241204834581 15.999 > 17 18 O 0.26813469034819 0.24303020460242 0.74758795165419 15.999 > 18 19 O 0.73186530965181 0.74303020460242 0.75241204834581 15.999 > 19 20 O 0.23186530965181 0.75696979539758 0.24758795165419 15.999 > 20 21 O 0.23186530965181 0.74303020460242 0.74758795165419 15.999 > 21 22 O 0.73186530965181 0.75696979539758 0.25241204834581 15.999 > 22 23 O 0.26813469034819 0.25696979539758 0.24758795165419 15.999 > 23 24 O 0.76813469034819 0.24303020460242 0.75241204834581 15.999 > 24 25 O 0.99975799913563 0.25576829361914 0.45638404696863 15.999 > 25 26 O 0.49975799913563 0.24423170638086 0.54361595303137 15.999 > 26 27 O 0.50024200086437 0.74423170638086 0.95638404696863 15.999 > 27 28 O 0.00024200086437 0.75576829361914 0.04361595303137 15.999 > 28 29 O 0.00024200086437 0.74423170638086 0.54361595303137 15.999 > 29 30 O 0.50024200086437 0.75576829361914 0.45638404696863 15.999 > 30 31 O 0.49975799913563 0.25576829361914 0.04361595303137 15.999 > 31 32 O 0.99975799913563 0.24423170638086 0.95638404696863 15.999 > 32 33 Na 0.10339901840518 0.33828089430735 0.11918901304767 22.990 > 33 34 Na 0.60339901840518 0.16171910569265 0.88081098695233 22.990 > 34 35 Na 0.39660098159482 0.66171910569265 0.61918901304767 22.990 > 35 36 Na 0.89660098159482 0.83828089430735 0.38081098695233 22.990 > 36 37 Na 0.89660098159482 0.66171910569265 0.88081098695233 22.990 > 37 38 Na 0.39660098159482 0.83828089430735 0.11918901304767 22.990 > 38 39 Na 0.60339901840518 0.33828089430735 0.38081098695233 22.990 > 39 40 Na 0.10339901840518 0.16171910569265 0.61918901304767 22.990 > 40 41 Na 0.64327069155543 0.89668054213222 0.88702804271881 22.990 > 41 42 Na 0.14327069155543 0.60331945786778 0.11297195728119 22.990 > 42 43 Na 0.85672930844457 0.10331945786778 0.38702804271881 22.990 > 43 44 Na 0.35672930844457 0.39668054213222 0.61297195728119 22.990 > 44 45 Na 0.35672930844457 0.10331945786778 0.11297195728119 22.990 > 45 46 Na 0.85672930844457 0.39668054213222 0.88702804271881 22.990 > 46 47 Na 0.14327069155543 0.89668054213222 0.61297195728119 22.990 > 47 48 Na 0.64327069155543 0.60331945786778 0.38702804271881 22.990 > 48 49 Na 0.59455818526216 0.85267559372456 0.62425657787695 22.990 > 49 50 Na 0.09455818526216 0.64732440627544 0.37574342212305 22.990 > 50 51 Na 0.90544181473784 0.14732440627544 0.12425657787695 22.990 > 51 52 Na 0.40544181473784 0.35267559372456 0.87574342212305 22.990 > 52 53 Na 0.40544181473784 0.14732440627544 0.37574342212305 22.990 > 53 54 Na 0.90544181473784 0.35267559372456 0.62425657787695 22.990 > 54 55 Na 0.09455818526216 0.85267559372456 0.87574342212305 22.990 > 55 56 Na 0.59455818526216 0.64732440627544 0.12425657787695 22.990 > 56 57 Na 0.66668708509034 0.38273724155644 0.10649270410620 22.990 > 57 58 Na 0.16668708509034 0.11726275844356 0.89350729589380 22.990 > 58 59 Na 0.83331291490966 0.61726275844356 0.60649270410620 22.990 > 59 60 Na 0.33331291490966 0.88273724155644 0.39350729589380 22.990 > 60 61 Na 0.33331291490966 0.61726275844356 0.89350729589380 22.990 > 61 62 Na 0.83331291490966 0.88273724155644 0.10649270410620 22.990 > 62 63 Na 0.16668708509034 0.38273724155644 0.39350729589380 22.990 > 63 64 Na 0.66668708509034 0.11726275844356 0.60649270410620 22.990 > 64 65 Na 0.13230049126720 0.38195564048587 0.84928347449532 22.990 > 65 66 Na 0.63230049126720 0.11804435951413 0.15071652550468 22.990 > 66 67 Na 0.36769950873280 0.61804435951413 0.34928347449532 22.990 > 67 68 Na 0.86769950873280 0.88195564048587 0.65071652550468 22.990 > 68 69 Na 0.86769950873280 0.61804435951413 0.15071652550468 22.990 > 69 70 Na 0.36769950873280 0.88195564048587 0.84928347449532 22.990 > 70 71 Na 0.63230049126720 0.38195564048587 0.65071652550468 22.990 > 71 72 Na 0.13230049126720 0.11804435951413 0.34928347449532 22.990 > 72 73 In 0.88498461075317 0.37813262299540 0.35237677658530 114.818 > 73 74 In 0.38498461075317 0.12186737700460 0.64762322341470 114.818 > 74 75 In 0.61501538924683 0.62186737700461 0.85237677658530 114.818 > 75 76 In 0.11501538924683 0.87813262299539 0.14762322341470 114.818 > 76 77 In 0.11501538924683 0.62186737700461 0.64762322341470 114.818 > 77 78 In 0.61501538924683 0.87813262299539 0.35237677658530 114.818 > 78 79 In 0.38498461075317 0.37813262299540 0.14762322341470 114.818 > 79 80 In 0.88498461075317 0.12186737700460 0.85237677658530 114.818 > 80 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.3593001 0.0000000 0.0000000 0.0000000 3.3085292 0.0000000 0.0000000 0.0000000 3.3209135 -------------------------- Born effective charges -------------------------- 1 O -1.8041827 0.2130242 -0.2222817 0.3684317 -1.8387363 0.2878407 -0.2692028 0.2323763 -1.7083761 2 O -1.8041827 -0.2130242 0.2222817 -0.3684317 -1.8387363 0.2878407 0.2692028 0.2323763 -1.7083761 3 O -1.8041827 0.2130242 0.2222817 0.3684317 -1.8387363 -0.2878407 0.2692028 -0.2323763 -1.7083761 4 O -1.8041827 -0.2130242 -0.2222817 -0.3684317 -1.8387363 -0.2878407 -0.2692028 -0.2323763 -1.7083761 5 O -1.8041827 0.2130242 -0.2222817 0.3684317 -1.8387363 0.2878407 -0.2692028 0.2323763 -1.7083761 6 O -1.8041827 -0.2130242 0.2222817 -0.3684317 -1.8387363 0.2878407 0.2692028 0.2323763 -1.7083761 7 O -1.8041827 0.2130242 0.2222817 0.3684317 -1.8387363 -0.2878407 0.2692028 -0.2323763 -1.7083761 8 O -1.8041827 -0.2130242 -0.2222817 -0.3684317 -1.8387363 -0.2878407 -0.2692028 -0.2323763 -1.7083761 9 O -1.8083302 0.1629211 0.1913477 0.1897203 -1.6432339 -0.2871295 0.2716881 -0.1662917 -1.8888432 10 O -1.8083302 -0.1629211 -0.1913477 -0.1897203 -1.6432339 -0.2871295 -0.2716881 -0.1662917 -1.8888432 11 O -1.8083302 0.1629211 -0.1913477 0.1897203 -1.6432339 0.2871295 -0.2716881 0.1662917 -1.8888432 12 O -1.8083302 -0.1629211 0.1913477 -0.1897203 -1.6432339 0.2871295 0.2716881 0.1662917 -1.8888432 13 O -1.8083302 0.1629211 0.1913477 0.1897203 -1.6432339 -0.2871295 0.2716881 -0.1662917 -1.8888432 14 O -1.8083302 -0.1629211 -0.1913477 -0.1897203 -1.6432339 -0.2871295 -0.2716881 -0.1662917 -1.8888432 15 O -1.8083302 0.1629211 -0.1913477 0.1897203 -1.6432339 0.2871295 -0.2716881 0.1662917 -1.8888432 16 O -1.8083302 -0.1629211 0.1913477 -0.1897203 -1.6432339 0.2871295 0.2716881 0.1662917 -1.8888432 17 O -1.8122307 -0.1732964 -0.2408134 -0.2237855 -1.7889066 -0.2184027 -0.2852603 -0.3701784 -1.7352978 18 O -1.8122307 0.1732964 0.2408134 0.2237855 -1.7889066 -0.2184027 0.2852603 -0.3701784 -1.7352978 19 O -1.8122307 -0.1732964 0.2408134 -0.2237855 -1.7889066 0.2184027 0.2852603 0.3701784 -1.7352978 20 O -1.8122307 0.1732964 -0.2408134 0.2237855 -1.7889066 0.2184027 -0.2852603 0.3701784 -1.7352978 21 O -1.8122307 -0.1732964 -0.2408134 -0.2237855 -1.7889066 -0.2184027 -0.2852603 -0.3701784 -1.7352978 22 O -1.8122307 0.1732964 0.2408134 0.2237855 -1.7889066 -0.2184027 0.2852603 -0.3701784 -1.7352978 23 O -1.8122307 -0.1732964 0.2408134 -0.2237855 -1.7889066 0.2184027 0.2852603 0.3701784 -1.7352978 24 O -1.8122307 0.1732964 -0.2408134 0.2237855 -1.7889066 0.2184027 -0.2852603 0.3701784 -1.7352978 25 O -1.7853166 0.3509259 -0.2399524 0.2117748 -1.7611719 0.2099920 -0.2345564 0.2198744 -1.7485980 26 O -1.7853166 -0.3509259 0.2399524 -0.2117748 -1.7611719 0.2099920 0.2345564 0.2198744 -1.7485980 27 O -1.7853166 0.3509259 0.2399524 0.2117748 -1.7611719 -0.2099920 0.2345564 -0.2198744 -1.7485980 28 O -1.7853166 -0.3509259 -0.2399524 -0.2117748 -1.7611719 -0.2099920 -0.2345564 -0.2198744 -1.7485980 29 O -1.7853166 0.3509259 -0.2399524 0.2117748 -1.7611719 0.2099920 -0.2345564 0.2198744 -1.7485980 30 O -1.7853166 -0.3509259 0.2399524 -0.2117748 -1.7611719 0.2099920 0.2345564 0.2198744 -1.7485980 31 O -1.7853166 0.3509259 0.2399524 0.2117748 -1.7611719 -0.2099920 0.2345564 -0.2198744 -1.7485980 32 O -1.7853166 -0.3509259 -0.2399524 -0.2117748 -1.7611719 -0.2099920 -0.2345564 -0.2198744 -1.7485980 33 Na 1.0799693 -0.0125752 -0.0390715 0.0697772 0.8356147 0.0869461 -0.0135052 0.1172360 0.9910257 34 Na 1.0799693 0.0125752 0.0390715 -0.0697772 0.8356147 0.0869461 0.0135052 0.1172360 0.9910257 35 Na 1.0799693 -0.0125752 0.0390715 0.0697772 0.8356147 -0.0869461 0.0135052 -0.1172360 0.9910257 36 Na 1.0799693 0.0125752 -0.0390715 -0.0697772 0.8356147 -0.0869461 -0.0135052 -0.1172360 0.9910257 37 Na 1.0799693 -0.0125752 -0.0390715 0.0697772 0.8356147 0.0869461 -0.0135052 0.1172360 0.9910257 38 Na 1.0799693 0.0125752 0.0390715 -0.0697772 0.8356147 0.0869461 0.0135052 0.1172360 0.9910257 39 Na 1.0799693 -0.0125752 0.0390715 0.0697772 0.8356147 -0.0869461 0.0135052 -0.1172360 0.9910257 40 Na 1.0799693 0.0125752 -0.0390715 -0.0697772 0.8356147 -0.0869461 -0.0135052 -0.1172360 0.9910257 41 Na 0.9403991 0.0268093 0.1680919 0.0213910 1.1270913 -0.0288097 0.0770929 -0.0732516 0.8863526 42 Na 0.9403991 -0.0268093 -0.1680919 -0.0213910 1.1270913 -0.0288097 -0.0770929 -0.0732516 0.8863526 43 Na 0.9403991 0.0268093 -0.1680919 0.0213910 1.1270913 0.0288097 -0.0770929 0.0732516 0.8863526 44 Na 0.9403991 -0.0268093 0.1680919 -0.0213910 1.1270913 0.0288097 0.0770929 0.0732516 0.8863526 45 Na 0.9403991 0.0268093 0.1680919 0.0213910 1.1270913 -0.0288097 0.0770929 -0.0732516 0.8863526 46 Na 0.9403991 -0.0268093 -0.1680919 -0.0213910 1.1270913 -0.0288097 -0.0770929 -0.0732516 0.8863526 47 Na 0.9403991 0.0268093 -0.1680919 0.0213910 1.1270913 0.0288097 -0.0770929 0.0732516 0.8863526 48 Na 0.9403991 -0.0268093 0.1680919 -0.0213910 1.1270913 0.0288097 0.0770929 0.0732516 0.8863526 49 Na 0.8126470 -0.0933556 -0.0859294 -0.0960839 0.9167672 -0.0381765 0.0030491 -0.0935794 1.0257800 50 Na 0.8126470 0.0933556 0.0859294 0.0960839 0.9167672 -0.0381765 -0.0030491 -0.0935794 1.0257800 51 Na 0.8126470 -0.0933556 0.0859294 -0.0960839 0.9167672 0.0381765 -0.0030491 0.0935794 1.0257800 52 Na 0.8126470 0.0933556 -0.0859294 0.0960839 0.9167672 0.0381765 0.0030491 0.0935794 1.0257800 53 Na 0.8126470 -0.0933556 -0.0859294 -0.0960839 0.9167672 -0.0381765 0.0030491 -0.0935794 1.0257800 54 Na 0.8126470 0.0933556 0.0859294 0.0960839 0.9167672 -0.0381765 -0.0030491 -0.0935794 1.0257800 55 Na 0.8126470 -0.0933556 0.0859294 -0.0960839 0.9167672 0.0381765 -0.0030491 0.0935794 1.0257800 56 Na 0.8126470 0.0933556 -0.0859294 0.0960839 0.9167672 0.0381765 0.0030491 0.0935794 1.0257800 57 Na 1.0041922 -0.1340199 0.0043286 -0.0099316 0.8966992 -0.0400641 -0.0246466 -0.0993003 0.9445750 58 Na 1.0041922 0.1340199 -0.0043286 0.0099316 0.8966992 -0.0400641 0.0246466 -0.0993003 0.9445750 59 Na 1.0041922 -0.1340199 -0.0043286 -0.0099316 0.8966992 0.0400641 0.0246466 0.0993003 0.9445750 60 Na 1.0041922 0.1340199 0.0043286 0.0099316 0.8966992 0.0400641 -0.0246466 0.0993003 0.9445750 61 Na 1.0041922 -0.1340199 0.0043286 -0.0099316 0.8966992 -0.0400641 -0.0246466 -0.0993003 0.9445750 62 Na 1.0041922 0.1340199 -0.0043286 0.0099316 0.8966992 -0.0400641 0.0246466 -0.0993003 0.9445750 63 Na 1.0041922 -0.1340199 -0.0043286 -0.0099316 0.8966992 0.0400641 0.0246466 0.0993003 0.9445750 64 Na 1.0041922 0.1340199 0.0043286 0.0099316 0.8966992 0.0400641 -0.0246466 0.0993003 0.9445750 65 Na 1.0178712 0.0585474 -0.0104129 -0.0448209 1.0221173 -0.0832107 0.0908782 0.0196464 0.9914678 66 Na 1.0178712 -0.0585474 0.0104129 0.0448209 1.0221173 -0.0832107 -0.0908782 0.0196464 0.9914678 67 Na 1.0178712 0.0585474 0.0104129 -0.0448209 1.0221173 0.0832107 -0.0908782 -0.0196464 0.9914678 68 Na 1.0178712 -0.0585474 -0.0104129 0.0448209 1.0221173 0.0832107 0.0908782 -0.0196464 0.9914678 69 Na 1.0178712 0.0585474 -0.0104129 -0.0448209 1.0221173 -0.0832107 0.0908782 0.0196464 0.9914678 70 Na 1.0178712 -0.0585474 0.0104129 0.0448209 1.0221173 -0.0832107 -0.0908782 0.0196464 0.9914678 71 Na 1.0178712 0.0585474 0.0104129 -0.0448209 1.0221173 0.0832107 -0.0908782 -0.0196464 0.9914678 72 Na 1.0178712 -0.0585474 -0.0104129 0.0448209 1.0221173 0.0832107 0.0908782 -0.0196464 0.9914678 73 In 2.3549814 0.0252071 0.0038641 0.1395644 2.2337590 0.0458214 -0.0428306 0.0680779 2.2419140 74 In 2.3549814 -0.0252071 -0.0038641 -0.1395644 2.2337590 0.0458214 0.0428306 0.0680779 2.2419140 75 In 2.3549814 0.0252071 -0.0038641 0.1395644 2.2337590 -0.0458214 0.0428306 -0.0680779 2.2419140 76 In 2.3549814 -0.0252071 0.0038641 -0.1395644 2.2337590 -0.0458214 -0.0428306 -0.0680779 2.2419140 77 In 2.3549814 0.0252071 0.0038641 0.1395644 2.2337590 0.0458214 -0.0428306 0.0680779 2.2419140 78 In 2.3549814 -0.0252071 -0.0038641 -0.1395644 2.2337590 0.0458214 0.0428306 0.0680779 2.2419140 79 In 2.3549814 0.0252071 -0.0038641 0.1395644 2.2337590 -0.0458214 0.0428306 -0.0680779 2.2419140 80 In 2.3549814 -0.0252071 0.0038641 -0.1395644 2.2337590 -0.0458214 -0.0428306 -0.0680779 2.2419140 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xzz) 0.00000000 (zxz) 0.00000000 (zzx) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- 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 ... [ 5 5 5 ] 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: 0.39, Number of G-points: 297, Lambda: 0.07 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/27) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 27 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 2.113 ( 0.000 0.000 0.000) 0.000 2.284 ( 0.000 0.000 0.000) 0.000 2.332 ( 0.000 0.000 0.000) 0.000 2.335 ( 0.000 0.000 0.000) 0.000 2.368 ( 0.000 0.000 0.000) 0.000 2.510 ( 0.000 0.000 0.000) 0.000 2.550 ( 0.000 0.000 0.000) 0.000 2.605 ( 0.000 0.000 0.000) 0.000 2.631 ( 0.000 0.000 0.000) 0.000 2.671 ( 0.000 0.000 0.000) 0.000 2.731 ( 0.000 0.000 0.000) 0.000 2.756 ( 0.000 0.000 0.000) 0.000 2.760 ( 0.000 0.000 0.000) 0.000 2.854 ( 0.000 0.000 0.000) 0.000 2.863 ( 0.000 0.000 0.000) 0.000 2.984 ( 0.000 0.000 0.000) 0.000 3.078 ( 0.000 0.000 0.000) 0.000 3.082 ( 0.000 0.000 0.000) 0.000 3.102 ( 0.000 0.000 0.000) 0.000 3.122 ( 0.000 0.000 0.000) 0.000 3.163 ( 0.000 0.000 0.000) 0.000 3.301 ( 0.000 0.000 0.000) 0.000 3.469 ( 0.000 0.000 0.000) 0.000 3.483 ( 0.000 0.000 0.000) 0.000 3.485 ( 0.000 0.000 0.000) 0.000 3.526 ( 0.000 0.000 0.000) 0.000 3.537 ( 0.000 0.000 0.000) 0.000 3.542 ( 0.000 0.000 0.000) 0.000 3.559 ( 0.000 0.000 0.000) 0.000 3.623 ( 0.000 0.000 0.000) 0.000 3.678 ( 0.000 0.000 0.000) 0.000 3.701 ( 0.000 0.000 0.000) 0.000 3.763 ( 0.000 0.000 0.000) 0.000 3.863 ( 0.000 0.000 0.000) 0.000 3.883 ( 0.000 0.000 0.000) 0.000 3.973 ( 0.000 0.000 0.000) 0.000 3.998 ( 0.000 0.000 0.000) 0.000 4.081 ( 0.000 0.000 0.000) 0.000 4.094 ( 0.000 0.000 0.000) 0.000 4.115 ( 0.000 0.000 0.000) 0.000 4.123 ( 0.000 0.000 0.000) 0.000 4.169 ( 0.000 0.000 0.000) 0.000 4.179 ( 0.000 0.000 0.000) 0.000 4.222 ( 0.000 0.000 0.000) 0.000 4.274 ( 0.000 0.000 0.000) 0.000 4.285 ( 0.000 0.000 0.000) 0.000 4.336 ( 0.000 0.000 0.000) 0.000 4.383 ( 0.000 0.000 0.000) 0.000 4.417 ( 0.000 0.000 0.000) 0.000 4.504 ( 0.000 0.000 0.000) 0.000 4.573 ( 0.000 0.000 0.000) 0.000 4.637 ( 0.000 0.000 0.000) 0.000 4.650 ( 0.000 0.000 0.000) 0.000 4.672 ( 0.000 0.000 0.000) 0.000 4.693 ( 0.000 0.000 0.000) 0.000 4.715 ( 0.000 0.000 0.000) 0.000 4.734 ( 0.000 0.000 0.000) 0.000 4.745 ( 0.000 0.000 0.000) 0.000 4.757 ( 0.000 0.000 0.000) 0.000 4.819 ( 0.000 0.000 0.000) 0.000 4.854 ( 0.000 0.000 0.000) 0.000 4.891 ( 0.000 0.000 0.000) 0.000 4.922 ( 0.000 0.000 0.000) 0.000 4.964 ( 0.000 0.000 0.000) 0.000 4.989 ( 0.000 0.000 0.000) 0.000 5.058 ( 0.000 0.000 0.000) 0.000 5.058 ( 0.000 0.000 0.000) 0.000 5.092 ( 0.000 0.000 0.000) 0.000 5.129 ( 0.000 0.000 0.000) 0.000 5.153 ( 0.000 0.000 0.000) 0.000 5.209 ( 0.000 0.000 0.000) 0.000 5.252 ( 0.000 0.000 0.000) 0.000 5.292 ( 0.000 0.000 0.000) 0.000 5.380 ( 0.000 0.000 0.000) 0.000 5.430 ( 0.000 0.000 0.000) 0.000 5.473 ( 0.000 0.000 0.000) 0.000 5.526 ( 0.000 0.000 0.000) 0.000 5.635 ( 0.000 0.000 0.000) 0.000 5.666 ( 0.000 0.000 0.000) 0.000 5.737 ( 0.000 0.000 0.000) 0.000 5.739 ( 0.000 0.000 0.000) 0.000 5.812 ( 0.000 0.000 0.000) 0.000 5.846 ( 0.000 0.000 0.000) 0.000 5.849 ( 0.000 0.000 0.000) 0.000 5.919 ( 0.000 0.000 0.000) 0.000 5.935 ( 0.000 0.000 0.000) 0.000 6.017 ( 0.000 0.000 0.000) 0.000 6.040 ( 0.000 0.000 0.000) 0.000 6.053 ( 0.000 0.000 0.000) 0.000 6.112 ( 0.000 0.000 0.000) 0.000 6.161 ( 0.000 0.000 0.000) 0.000 6.180 ( 0.000 0.000 0.000) 0.000 6.245 ( 0.000 0.000 0.000) 0.000 6.265 ( 0.000 0.000 0.000) 0.000 6.342 ( 0.000 0.000 0.000) 0.000 6.381 ( 0.000 0.000 0.000) 0.000 6.411 ( 0.000 0.000 0.000) 0.000 6.446 ( 0.000 0.000 0.000) 0.000 6.469 ( 0.000 0.000 0.000) 0.000 6.480 ( 0.000 0.000 0.000) 0.000 6.503 ( 0.000 0.000 0.000) 0.000 6.520 ( 0.000 0.000 0.000) 0.000 6.521 ( 0.000 0.000 0.000) 0.000 6.545 ( 0.000 0.000 0.000) 0.000 6.551 ( 0.000 0.000 0.000) 0.000 6.575 ( 0.000 0.000 0.000) 0.000 6.580 ( 0.000 0.000 0.000) 0.000 6.605 ( 0.000 0.000 0.000) 0.000 6.612 ( 0.000 0.000 0.000) 0.000 6.631 ( 0.000 0.000 0.000) 0.000 6.746 ( 0.000 0.000 0.000) 0.000 6.857 ( 0.000 0.000 0.000) 0.000 6.993 ( 0.000 0.000 0.000) 0.000 7.000 ( 0.000 0.000 0.000) 0.000 7.020 ( 0.000 0.000 0.000) 0.000 7.043 ( 0.000 0.000 0.000) 0.000 7.051 ( 0.000 0.000 0.000) 0.000 7.123 ( 0.000 0.000 0.000) 0.000 7.133 ( 0.000 0.000 0.000) 0.000 7.143 ( 0.000 0.000 0.000) 0.000 7.147 ( 0.000 0.000 0.000) 0.000 7.161 ( 0.000 0.000 0.000) 0.000 7.230 ( 0.000 0.000 0.000) 0.000 7.275 ( 0.000 0.000 0.000) 0.000 7.359 ( 0.000 0.000 0.000) 0.000 7.402 ( 0.000 0.000 0.000) 0.000 7.456 ( 0.000 0.000 0.000) 0.000 7.489 ( 0.000 0.000 0.000) 0.000 7.562 ( 0.000 0.000 0.000) 0.000 7.612 ( 0.000 0.000 0.000) 0.000 7.681 ( 0.000 0.000 0.000) 0.000 7.685 ( 0.000 0.000 0.000) 0.000 7.712 ( 0.000 0.000 0.000) 0.000 7.758 ( 0.000 0.000 0.000) 0.000 7.771 ( 0.000 0.000 0.000) 0.000 7.825 ( 0.000 0.000 0.000) 0.000 7.850 ( 0.000 0.000 0.000) 0.000 7.886 ( 0.000 0.000 0.000) 0.000 7.946 ( 0.000 0.000 0.000) 0.000 8.005 ( 0.000 0.000 0.000) 0.000 8.019 ( 0.000 0.000 0.000) 0.000 8.057 ( 0.000 0.000 0.000) 0.000 8.071 ( 0.000 0.000 0.000) 0.000 8.079 ( 0.000 0.000 0.000) 0.000 8.148 ( 0.000 0.000 0.000) 0.000 8.149 ( 0.000 0.000 0.000) 0.000 8.225 ( 0.000 0.000 0.000) 0.000 8.248 ( 0.000 0.000 0.000) 0.000 8.315 ( 0.000 0.000 0.000) 0.000 8.333 ( 0.000 0.000 0.000) 0.000 8.344 ( 0.000 0.000 0.000) 0.000 8.353 ( 0.000 0.000 0.000) 0.000 8.371 ( 0.000 0.000 0.000) 0.000 8.533 ( 0.000 0.000 0.000) 0.000 8.586 ( 0.000 0.000 0.000) 0.000 8.600 ( 0.000 0.000 0.000) 0.000 8.624 ( 0.000 0.000 0.000) 0.000 8.646 ( 0.000 0.000 0.000) 0.000 8.753 ( 0.000 0.000 0.000) 0.000 8.762 ( 0.000 0.000 0.000) 0.000 8.858 ( 0.000 0.000 0.000) 0.000 8.877 ( 0.000 0.000 0.000) 0.000 8.936 ( 0.000 0.000 0.000) 0.000 8.939 ( 0.000 0.000 0.000) 0.000 8.953 ( 0.000 0.000 0.000) 0.000 8.975 ( 0.000 0.000 0.000) 0.000 8.981 ( 0.000 0.000 0.000) 0.000 9.185 ( 0.000 0.000 0.000) 0.000 9.187 ( 0.000 0.000 0.000) 0.000 9.209 ( 0.000 0.000 0.000) 0.000 9.257 ( 0.000 0.000 0.000) 0.000 9.341 ( 0.000 0.000 0.000) 0.000 9.351 ( 0.000 0.000 0.000) 0.000 9.432 ( 0.000 0.000 0.000) 0.000 9.441 ( 0.000 0.000 0.000) 0.000 9.520 ( 0.000 0.000 0.000) 0.000 9.577 ( 0.000 0.000 0.000) 0.000 9.606 ( 0.000 0.000 0.000) 0.000 9.688 ( 0.000 0.000 0.000) 0.000 9.701 ( 0.000 0.000 0.000) 0.000 9.719 ( 0.000 0.000 0.000) 0.000 9.742 ( 0.000 0.000 0.000) 0.000 9.761 ( 0.000 0.000 0.000) 0.000 9.777 ( 0.000 0.000 0.000) 0.000 9.884 ( 0.000 0.000 0.000) 0.000 9.917 ( 0.000 0.000 0.000) 0.000 9.964 ( 0.000 0.000 0.000) 0.000 10.019 ( 0.000 0.000 0.000) 0.000 10.035 ( 0.000 0.000 0.000) 0.000 10.167 ( 0.000 0.000 0.000) 0.000 10.206 ( 0.000 0.000 0.000) 0.000 10.228 ( 0.000 0.000 0.000) 0.000 10.257 ( 0.000 0.000 0.000) 0.000 10.362 ( 0.000 0.000 0.000) 0.000 10.540 ( 0.000 0.000 0.000) 0.000 10.555 ( 0.000 0.000 0.000) 0.000 10.561 ( 0.000 0.000 0.000) 0.000 10.708 ( 0.000 0.000 0.000) 0.000 10.795 ( 0.000 0.000 0.000) 0.000 10.801 ( 0.000 0.000 0.000) 0.000 10.863 ( 0.000 0.000 0.000) 0.000 10.936 ( 0.000 0.000 0.000) 0.000 11.200 ( 0.000 0.000 0.000) 0.000 11.393 ( 0.000 0.000 0.000) 0.000 11.495 ( 0.000 0.000 0.000) 0.000 13.876 ( 0.000 0.000 0.000) 0.000 13.935 ( 0.000 0.000 0.000) 0.000 13.951 ( 0.000 0.000 0.000) 0.000 14.083 ( 0.000 0.000 0.000) 0.000 14.143 ( 0.000 0.000 0.000) 0.000 14.153 ( 0.000 0.000 0.000) 0.000 14.153 ( 0.000 0.000 0.000) 0.000 14.193 ( 0.000 0.000 0.000) 0.000 14.307 ( 0.000 0.000 0.000) 0.000 14.431 ( 0.000 0.000 0.000) 0.000 14.502 ( 0.000 0.000 0.000) 0.000 14.577 ( 0.000 0.000 0.000) 0.000 14.685 ( 0.000 0.000 0.000) 0.000 14.716 ( 0.000 0.000 0.000) 0.000 14.749 ( 0.000 0.000 0.000) 0.000 14.821 ( 0.000 0.000 0.000) 0.000 15.059 ( 0.000 0.000 0.000) 0.000 15.126 ( 0.000 0.000 0.000) 0.000 15.211 ( 0.000 0.000 0.000) 0.000 15.520 ( 0.000 0.000 0.000) 0.000 15.541 ( 0.000 0.000 0.000) 0.000 15.602 ( 0.000 0.000 0.000) 0.000 15.646 ( 0.000 0.000 0.000) 0.000 15.669 ( 0.000 0.000 0.000) 0.000 16.040 ( 0.000 0.000 0.000) 0.000 16.186 ( 0.000 0.000 0.000) 0.000 16.201 ( 0.000 0.000 0.000) 0.000 16.220 ( 0.000 0.000 0.000) 0.000 16.292 ( 0.000 0.000 0.000) 0.000 16.334 ( 0.000 0.000 0.000) 0.000 16.353 ( 0.000 0.000 0.000) 0.000 16.401 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/27) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 27 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.582 ( 30.438 0.000 0.000) 30.438 0.592 ( 30.908 0.000 0.000) 30.908 1.021 ( 52.538 0.000 0.000) 52.538 2.077 ( -13.570 0.000 0.000) 13.570 2.158 ( -20.720 0.000 0.000) 20.720 2.263 ( 3.149 0.000 0.000) 3.149 2.323 ( 3.726 0.000 0.000) 3.726 2.371 ( 3.556 0.000 0.000) 3.556 2.496 ( 0.295 0.000 0.000) 0.295 2.542 ( 4.334 0.000 0.000) 4.334 2.581 ( -3.407 0.000 0.000) 3.407 2.619 ( 0.556 0.000 0.000) 0.556 2.646 ( -2.794 0.000 0.000) 2.794 2.692 ( -3.721 0.000 0.000) 3.721 2.777 ( -0.625 0.000 0.000) 0.625 2.780 ( 2.243 0.000 0.000) 2.243 2.900 ( 2.074 0.000 0.000) 2.074 2.909 ( 2.276 0.000 0.000) 2.276 3.008 ( -7.964 0.000 0.000) 7.964 3.022 ( 2.839 0.000 0.000) 2.839 3.058 ( -1.636 0.000 0.000) 1.636 3.114 ( -3.830 0.000 0.000) 3.830 3.131 ( 1.141 0.000 0.000) 1.141 3.217 ( -7.762 0.000 0.000) 7.762 3.279 ( 12.197 0.000 0.000) 12.197 3.475 ( -2.840 0.000 0.000) 2.840 3.476 ( -0.119 0.000 0.000) 0.119 3.479 ( 0.076 0.000 0.000) 0.076 3.513 ( 2.132 0.000 0.000) 2.132 3.515 ( -0.656 0.000 0.000) 0.656 3.527 ( -0.100 0.000 0.000) 0.100 3.644 ( -0.511 0.000 0.000) 0.511 3.649 ( -9.104 0.000 0.000) 9.104 3.682 ( 0.674 0.000 0.000) 0.674 3.702 ( 1.991 0.000 0.000) 1.991 3.745 ( 7.493 0.000 0.000) 7.493 3.903 ( -0.052 0.000 0.000) 0.052 3.916 ( 1.413 0.000 0.000) 1.413 3.927 ( -2.196 0.000 0.000) 2.196 3.991 ( -1.626 0.000 0.000) 1.626 4.097 ( -3.644 0.000 0.000) 3.644 4.117 ( 1.022 0.000 0.000) 1.022 4.152 ( 5.292 0.000 0.000) 5.292 4.207 ( 2.806 0.000 0.000) 2.806 4.209 ( 5.685 0.000 0.000) 5.685 4.210 ( 4.831 0.000 0.000) 4.831 4.215 ( 3.258 0.000 0.000) 3.258 4.272 ( -3.674 0.000 0.000) 3.674 4.304 ( -5.623 0.000 0.000) 5.623 4.317 ( 5.490 0.000 0.000) 5.490 4.327 ( 0.096 0.000 0.000) 0.096 4.486 ( 2.263 0.000 0.000) 2.263 4.489 ( 10.278 0.000 0.000) 10.278 4.532 ( -3.689 0.000 0.000) 3.689 4.562 ( -5.930 0.000 0.000) 5.930 4.590 ( 0.407 0.000 0.000) 0.407 4.708 ( -2.950 0.000 0.000) 2.950 4.764 ( 3.113 0.000 0.000) 3.113 4.767 ( -4.305 0.000 0.000) 4.305 4.784 ( 4.187 0.000 0.000) 4.187 4.801 ( 5.596 0.000 0.000) 5.596 4.811 ( 4.942 0.000 0.000) 4.942 4.872 ( 1.983 0.000 0.000) 1.983 4.880 ( 9.090 0.000 0.000) 9.090 4.902 ( 2.074 0.000 0.000) 2.074 4.942 ( -5.456 0.000 0.000) 5.456 4.999 ( 1.558 0.000 0.000) 1.558 5.025 ( -3.031 0.000 0.000) 3.031 5.077 ( 7.395 0.000 0.000) 7.395 5.089 ( 8.612 0.000 0.000) 8.612 5.097 ( 0.122 0.000 0.000) 0.122 5.104 ( 0.138 0.000 0.000) 0.138 5.218 ( 1.660 0.000 0.000) 1.660 5.221 ( 1.572 0.000 0.000) 1.572 5.230 ( -1.874 0.000 0.000) 1.874 5.263 ( -3.215 0.000 0.000) 3.215 5.396 ( -1.445 0.000 0.000) 1.445 5.427 ( 2.589 0.000 0.000) 2.589 5.487 ( -4.757 0.000 0.000) 4.757 5.517 ( -2.290 0.000 0.000) 2.290 5.632 ( 1.132 0.000 0.000) 1.132 5.646 ( -2.027 0.000 0.000) 2.027 5.660 ( -7.298 0.000 0.000) 7.298 5.730 ( -1.627 0.000 0.000) 1.627 5.740 ( 0.001 0.000 0.000) 0.001 5.775 ( -7.677 0.000 0.000) 7.677 5.822 ( -2.626 0.000 0.000) 2.626 5.838 ( -6.127 0.000 0.000) 6.127 5.855 ( 1.987 0.000 0.000) 1.987 5.881 ( -11.063 0.000 0.000) 11.063 6.054 ( -4.048 0.000 0.000) 4.048 6.097 ( -10.145 0.000 0.000) 10.145 6.155 ( 4.499 0.000 0.000) 4.499 6.167 ( -1.790 0.000 0.000) 1.790 6.175 ( -4.442 0.000 0.000) 4.442 6.192 ( -7.557 0.000 0.000) 7.557 6.207 ( 5.473 0.000 0.000) 5.473 6.265 ( -7.224 0.000 0.000) 7.224 6.353 ( -3.338 0.000 0.000) 3.338 6.367 ( -5.864 0.000 0.000) 5.864 6.383 ( -5.748 0.000 0.000) 5.748 6.410 ( -1.920 0.000 0.000) 1.920 6.454 ( 0.796 0.000 0.000) 0.796 6.492 ( 2.711 0.000 0.000) 2.711 6.502 ( 1.278 0.000 0.000) 1.278 6.520 ( 1.599 0.000 0.000) 1.599 6.526 ( 1.078 0.000 0.000) 1.078 6.545 ( -1.720 0.000 0.000) 1.720 6.583 ( 1.170 0.000 0.000) 1.170 6.622 ( 1.194 0.000 0.000) 1.194 6.705 ( 2.950 0.000 0.000) 2.950 6.732 ( 1.162 0.000 0.000) 1.162 6.766 ( 9.381 0.000 0.000) 9.381 6.793 ( 5.924 0.000 0.000) 5.924 6.845 ( -0.739 0.000 0.000) 0.739 6.939 ( -3.428 0.000 0.000) 3.428 6.951 ( -3.353 0.000 0.000) 3.353 6.959 ( 1.375 0.000 0.000) 1.375 6.980 ( -7.198 0.000 0.000) 7.198 7.023 ( -1.308 0.000 0.000) 1.308 7.071 ( -3.378 0.000 0.000) 3.378 7.075 ( 0.161 0.000 0.000) 0.161 7.125 ( -2.206 0.000 0.000) 2.206 7.216 ( 0.918 0.000 0.000) 0.918 7.225 ( -2.971 0.000 0.000) 2.971 7.238 ( 3.169 0.000 0.000) 3.169 7.311 ( 6.954 0.000 0.000) 6.954 7.405 ( 4.049 0.000 0.000) 4.049 7.464 ( 5.610 0.000 0.000) 5.610 7.476 ( -4.105 0.000 0.000) 4.105 7.545 ( 1.058 0.000 0.000) 1.058 7.581 ( -8.740 0.000 0.000) 8.740 7.587 ( 11.336 0.000 0.000) 11.336 7.609 ( -0.706 0.000 0.000) 0.706 7.668 ( -3.324 0.000 0.000) 3.324 7.713 ( 0.219 0.000 0.000) 0.219 7.751 ( 2.698 0.000 0.000) 2.698 7.790 ( -3.480 0.000 0.000) 3.480 7.859 ( -3.242 0.000 0.000) 3.242 7.885 ( 8.178 0.000 0.000) 8.178 7.902 ( 3.981 0.000 0.000) 3.981 7.918 ( -3.375 0.000 0.000) 3.375 7.966 ( -3.103 0.000 0.000) 3.103 8.026 ( 2.072 0.000 0.000) 2.072 8.074 ( 1.046 0.000 0.000) 1.046 8.129 ( 5.538 0.000 0.000) 5.538 8.160 ( 6.913 0.000 0.000) 6.913 8.168 ( 0.203 0.000 0.000) 0.203 8.183 ( 2.753 0.000 0.000) 2.753 8.232 ( -0.046 0.000 0.000) 0.046 8.266 ( 1.842 0.000 0.000) 1.842 8.315 ( 0.106 0.000 0.000) 0.106 8.320 ( 0.386 0.000 0.000) 0.386 8.324 ( -2.090 0.000 0.000) 2.090 8.455 ( 8.784 0.000 0.000) 8.784 8.489 ( -0.771 0.000 0.000) 0.771 8.500 ( -6.111 0.000 0.000) 6.111 8.523 ( -0.941 0.000 0.000) 0.941 8.606 ( -3.917 0.000 0.000) 3.917 8.606 ( 1.042 0.000 0.000) 1.042 8.634 ( -0.904 0.000 0.000) 0.904 8.741 ( -1.725 0.000 0.000) 1.725 8.870 ( 1.997 0.000 0.000) 1.997 8.885 ( -4.900 0.000 0.000) 4.900 8.908 ( -1.818 0.000 0.000) 1.818 8.910 ( 2.581 0.000 0.000) 2.581 8.965 ( 3.698 0.000 0.000) 3.698 8.998 ( -0.303 0.000 0.000) 0.303 9.019 ( 3.303 0.000 0.000) 3.303 9.103 ( 2.501 0.000 0.000) 2.501 9.108 ( -7.282 0.000 0.000) 7.282 9.185 ( -2.318 0.000 0.000) 2.318 9.195 ( 0.920 0.000 0.000) 0.920 9.238 ( -5.228 0.000 0.000) 5.228 9.270 ( 0.957 0.000 0.000) 0.957 9.397 ( -2.983 0.000 0.000) 2.983 9.431 ( -1.099 0.000 0.000) 1.099 9.452 ( -1.031 0.000 0.000) 1.031 9.519 ( -5.042 0.000 0.000) 5.042 9.530 ( 1.179 0.000 0.000) 1.179 9.586 ( 1.131 0.000 0.000) 1.131 9.666 ( -1.847 0.000 0.000) 1.847 9.755 ( 4.709 0.000 0.000) 4.709 9.781 ( 1.722 0.000 0.000) 1.722 9.782 ( 1.027 0.000 0.000) 1.027 9.866 ( 1.027 0.000 0.000) 1.027 9.928 ( -2.275 0.000 0.000) 2.275 9.942 ( 2.308 0.000 0.000) 2.308 9.943 ( 7.194 0.000 0.000) 7.194 9.996 ( -1.144 0.000 0.000) 1.144 10.008 ( -2.619 0.000 0.000) 2.619 10.106 ( -4.520 0.000 0.000) 4.520 10.227 ( 0.697 0.000 0.000) 0.697 10.254 ( 1.266 0.000 0.000) 1.266 10.260 ( 0.312 0.000 0.000) 0.312 10.320 ( -2.345 0.000 0.000) 2.345 10.492 ( 2.421 0.000 0.000) 2.421 10.545 ( 1.926 0.000 0.000) 1.926 10.558 ( -0.341 0.000 0.000) 0.341 10.629 ( 6.718 0.000 0.000) 6.718 10.789 ( -1.425 0.000 0.000) 1.425 10.848 ( 4.889 0.000 0.000) 4.889 10.857 ( -0.722 0.000 0.000) 0.722 10.969 ( 3.482 0.000 0.000) 3.482 11.161 ( -3.947 0.000 0.000) 3.947 11.346 ( -4.883 0.000 0.000) 4.883 11.504 ( 0.879 0.000 0.000) 0.879 11.580 ( -0.988 0.000 0.000) 0.988 13.895 ( 1.591 0.000 0.000) 1.591 13.934 ( -0.061 0.000 0.000) 0.061 13.978 ( 2.656 0.000 0.000) 2.656 14.155 ( 0.893 0.000 0.000) 0.893 14.159 ( 0.554 0.000 0.000) 0.554 14.161 ( -2.721 0.000 0.000) 2.721 14.185 ( 2.656 0.000 0.000) 2.656 14.186 ( 3.449 0.000 0.000) 3.449 14.347 ( 3.505 0.000 0.000) 3.505 14.450 ( -4.427 0.000 0.000) 4.427 14.540 ( -3.578 0.000 0.000) 3.578 14.697 ( -4.929 0.000 0.000) 4.929 14.736 ( 4.330 0.000 0.000) 4.330 14.759 ( 4.117 0.000 0.000) 4.117 14.840 ( 2.080 0.000 0.000) 2.080 15.015 ( -1.484 0.000 0.000) 1.484 15.035 ( -2.662 0.000 0.000) 2.662 15.137 ( 1.041 0.000 0.000) 1.041 15.198 ( -1.171 0.000 0.000) 1.171 15.382 ( -11.471 0.000 0.000) 11.471 15.534 ( 1.438 0.000 0.000) 1.438 15.635 ( -1.104 0.000 0.000) 1.104 15.791 ( 7.778 0.000 0.000) 7.778 16.037 ( -0.510 0.000 0.000) 0.510 16.198 ( 1.145 0.000 0.000) 1.145 16.204 ( 0.558 0.000 0.000) 0.558 16.219 ( -0.019 0.000 0.000) 0.019 16.280 ( -1.178 0.000 0.000) 1.178 16.322 ( -1.075 0.000 0.000) 1.075 16.363 ( 0.912 0.000 0.000) 0.912 16.383 ( -1.785 0.000 0.000) 1.785 16.470 ( -2.305 0.000 0.000) 2.305 ======================= Grid point 2 (3/27) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 27 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( 29.016 0.000 0.000) 29.016 1.164 ( 29.403 0.000 0.000) 29.403 1.670 ( -25.745 0.000 0.000) 25.745 1.698 ( -26.714 0.000 0.000) 26.714 1.957 ( 45.047 0.000 0.000) 45.047 2.398 ( 6.550 0.000 0.000) 6.550 2.402 ( 3.467 0.000 0.000) 3.467 2.451 ( 4.308 0.000 0.000) 4.308 2.504 ( -0.777 0.000 0.000) 0.777 2.547 ( 0.158 0.000 0.000) 0.158 2.578 ( -7.672 0.000 0.000) 7.672 2.586 ( -3.329 0.000 0.000) 3.329 2.603 ( -2.464 0.000 0.000) 2.464 2.687 ( 8.735 0.000 0.000) 8.735 2.706 ( -19.510 0.000 0.000) 19.510 2.785 ( 2.766 0.000 0.000) 2.766 2.863 ( -5.034 0.000 0.000) 5.034 2.874 ( -5.144 0.000 0.000) 5.144 2.944 ( 4.014 0.000 0.000) 4.014 2.967 ( -2.800 0.000 0.000) 2.800 3.058 ( -3.128 0.000 0.000) 3.128 3.063 ( 1.089 0.000 0.000) 1.089 3.063 ( -3.587 0.000 0.000) 3.587 3.067 ( -6.762 0.000 0.000) 6.762 3.436 ( 1.410 0.000 0.000) 1.410 3.442 ( -0.619 0.000 0.000) 0.619 3.490 ( 1.653 0.000 0.000) 1.653 3.500 ( 0.830 0.000 0.000) 0.830 3.506 ( -0.699 0.000 0.000) 0.699 3.515 ( -1.021 0.000 0.000) 1.021 3.545 ( 0.986 0.000 0.000) 0.986 3.615 ( -3.220 0.000 0.000) 3.220 3.631 ( 9.579 0.000 0.000) 9.579 3.699 ( 0.415 0.000 0.000) 0.415 3.781 ( 6.417 0.000 0.000) 6.417 3.827 ( 1.880 0.000 0.000) 1.880 3.883 ( -1.468 0.000 0.000) 1.468 3.883 ( -0.822 0.000 0.000) 0.822 3.925 ( -4.986 0.000 0.000) 4.986 3.943 ( 2.319 0.000 0.000) 2.319 4.004 ( -10.082 0.000 0.000) 10.082 4.005 ( -4.663 0.000 0.000) 4.663 4.246 ( 4.707 0.000 0.000) 4.707 4.258 ( 4.348 0.000 0.000) 4.348 4.280 ( 2.258 0.000 0.000) 2.258 4.311 ( 4.097 0.000 0.000) 4.097 4.313 ( 4.436 0.000 0.000) 4.436 4.328 ( 4.918 0.000 0.000) 4.918 4.359 ( 8.434 0.000 0.000) 8.434 4.367 ( 1.639 0.000 0.000) 1.639 4.400 ( -8.996 0.000 0.000) 8.996 4.442 ( 3.671 0.000 0.000) 3.671 4.498 ( -1.894 0.000 0.000) 1.894 4.500 ( -1.688 0.000 0.000) 1.688 4.568 ( -0.211 0.000 0.000) 0.211 4.640 ( -2.673 0.000 0.000) 2.673 4.683 ( 0.924 0.000 0.000) 0.924 4.741 ( -4.819 0.000 0.000) 4.819 4.753 ( 9.727 0.000 0.000) 9.727 4.875 ( 1.933 0.000 0.000) 1.933 4.902 ( 3.192 0.000 0.000) 3.192 4.904 ( 3.988 0.000 0.000) 3.988 4.905 ( 3.493 0.000 0.000) 3.493 4.913 ( 2.007 0.000 0.000) 2.007 4.990 ( 2.535 0.000 0.000) 2.535 5.004 ( 7.844 0.000 0.000) 7.844 5.026 ( 2.456 0.000 0.000) 2.456 5.027 ( 3.990 0.000 0.000) 3.990 5.047 ( -3.719 0.000 0.000) 3.719 5.117 ( -5.804 0.000 0.000) 5.804 5.132 ( -8.698 0.000 0.000) 8.698 5.140 ( -2.033 0.000 0.000) 2.033 5.171 ( 3.509 0.000 0.000) 3.509 5.203 ( -0.806 0.000 0.000) 0.806 5.209 ( -5.507 0.000 0.000) 5.507 5.315 ( -6.736 0.000 0.000) 6.736 5.373 ( 7.296 0.000 0.000) 7.296 5.417 ( 4.005 0.000 0.000) 4.005 5.449 ( 4.481 0.000 0.000) 4.481 5.454 ( 4.177 0.000 0.000) 4.177 5.588 ( -2.967 0.000 0.000) 2.967 5.598 ( -6.873 0.000 0.000) 6.873 5.627 ( -3.983 0.000 0.000) 3.983 5.656 ( -11.705 0.000 0.000) 11.705 5.709 ( -1.618 0.000 0.000) 1.618 5.721 ( -2.530 0.000 0.000) 2.530 5.725 ( -2.411 0.000 0.000) 2.411 5.777 ( 5.443 0.000 0.000) 5.443 5.791 ( 0.741 0.000 0.000) 0.741 5.830 ( -2.895 0.000 0.000) 2.895 5.885 ( -6.481 0.000 0.000) 6.481 6.010 ( -4.437 0.000 0.000) 4.437 6.096 ( -2.262 0.000 0.000) 2.262 6.115 ( -3.213 0.000 0.000) 3.213 6.128 ( -0.796 0.000 0.000) 0.796 6.129 ( -5.231 0.000 0.000) 5.231 6.186 ( 4.313 0.000 0.000) 4.313 6.272 ( 3.543 0.000 0.000) 3.543 6.278 ( -4.108 0.000 0.000) 4.108 6.312 ( -0.157 0.000 0.000) 0.157 6.324 ( -1.592 0.000 0.000) 1.592 6.348 ( -4.140 0.000 0.000) 4.140 6.462 ( -0.846 0.000 0.000) 0.846 6.476 ( -2.726 0.000 0.000) 2.726 6.505 ( 0.886 0.000 0.000) 0.886 6.517 ( -1.016 0.000 0.000) 1.016 6.542 ( 0.783 0.000 0.000) 0.783 6.565 ( -1.593 0.000 0.000) 1.593 6.643 ( 0.713 0.000 0.000) 0.713 6.649 ( 1.870 0.000 0.000) 1.870 6.711 ( 2.554 0.000 0.000) 2.554 6.729 ( 2.919 0.000 0.000) 2.919 6.776 ( -2.794 0.000 0.000) 2.794 6.828 ( -7.096 0.000 0.000) 7.096 6.893 ( 4.161 0.000 0.000) 4.161 6.930 ( 1.732 0.000 0.000) 1.732 6.945 ( 2.370 0.000 0.000) 2.370 6.953 ( 0.188 0.000 0.000) 0.188 7.029 ( 1.371 0.000 0.000) 1.371 7.035 ( 2.419 0.000 0.000) 2.419 7.047 ( 2.633 0.000 0.000) 2.633 7.085 ( -2.386 0.000 0.000) 2.386 7.140 ( 9.861 0.000 0.000) 9.861 7.196 ( -0.248 0.000 0.000) 0.248 7.207 ( -1.084 0.000 0.000) 1.084 7.244 ( -1.237 0.000 0.000) 1.237 7.313 ( -7.233 0.000 0.000) 7.233 7.375 ( -12.171 0.000 0.000) 12.171 7.477 ( 6.834 0.000 0.000) 6.834 7.487 ( 4.311 0.000 0.000) 4.311 7.554 ( -0.897 0.000 0.000) 0.897 7.590 ( -4.851 0.000 0.000) 4.851 7.602 ( 4.057 0.000 0.000) 4.057 7.626 ( 5.993 0.000 0.000) 5.993 7.704 ( -5.151 0.000 0.000) 5.151 7.755 ( -7.154 0.000 0.000) 7.154 7.760 ( 4.116 0.000 0.000) 4.116 7.800 ( 9.248 0.000 0.000) 9.248 7.812 ( 3.682 0.000 0.000) 3.682 7.845 ( -4.247 0.000 0.000) 4.247 7.902 ( -3.221 0.000 0.000) 3.221 7.930 ( -1.377 0.000 0.000) 1.377 8.055 ( 9.011 0.000 0.000) 9.011 8.080 ( -0.379 0.000 0.000) 0.379 8.088 ( -0.252 0.000 0.000) 0.252 8.154 ( 2.718 0.000 0.000) 2.718 8.205 ( -6.090 0.000 0.000) 6.090 8.211 ( -0.827 0.000 0.000) 0.827 8.249 ( 5.963 0.000 0.000) 5.963 8.258 ( 1.236 0.000 0.000) 1.236 8.271 ( 2.517 0.000 0.000) 2.517 8.323 ( -0.303 0.000 0.000) 0.303 8.339 ( 4.049 0.000 0.000) 4.049 8.354 ( 2.328 0.000 0.000) 2.328 8.402 ( -3.524 0.000 0.000) 3.524 8.439 ( -4.819 0.000 0.000) 4.819 8.506 ( -0.448 0.000 0.000) 0.448 8.527 ( -3.112 0.000 0.000) 3.112 8.578 ( 1.731 0.000 0.000) 1.731 8.602 ( -1.736 0.000 0.000) 1.736 8.710 ( 11.233 0.000 0.000) 11.233 8.727 ( 1.081 0.000 0.000) 1.081 8.788 ( -4.835 0.000 0.000) 4.835 8.898 ( 1.138 0.000 0.000) 1.138 8.915 ( 2.746 0.000 0.000) 2.746 8.918 ( -5.793 0.000 0.000) 5.793 8.946 ( -6.308 0.000 0.000) 6.308 8.967 ( -2.525 0.000 0.000) 2.525 9.054 ( 4.764 0.000 0.000) 4.764 9.100 ( 5.686 0.000 0.000) 5.686 9.130 ( -3.373 0.000 0.000) 3.373 9.167 ( 4.306 0.000 0.000) 4.306 9.175 ( -0.959 0.000 0.000) 0.959 9.202 ( -0.463 0.000 0.000) 0.463 9.252 ( -3.644 0.000 0.000) 3.644 9.266 ( -9.684 0.000 0.000) 9.684 9.368 ( 0.810 0.000 0.000) 0.810 9.401 ( -1.943 0.000 0.000) 1.943 9.565 ( 2.176 0.000 0.000) 2.176 9.576 ( 2.071 0.000 0.000) 2.071 9.613 ( 1.425 0.000 0.000) 1.425 9.636 ( -1.198 0.000 0.000) 1.198 9.804 ( 1.117 0.000 0.000) 1.117 9.808 ( 0.794 0.000 0.000) 0.794 9.849 ( 4.687 0.000 0.000) 4.687 9.883 ( 1.973 0.000 0.000) 1.973 9.902 ( -0.800 0.000 0.000) 0.800 9.950 ( -3.391 0.000 0.000) 3.391 9.955 ( -2.274 0.000 0.000) 2.274 9.957 ( -2.465 0.000 0.000) 2.465 10.049 ( 3.129 0.000 0.000) 3.129 10.056 ( 0.752 0.000 0.000) 0.752 10.227 ( -0.301 0.000 0.000) 0.301 10.241 ( -1.822 0.000 0.000) 1.822 10.268 ( 0.641 0.000 0.000) 0.641 10.286 ( -1.294 0.000 0.000) 1.294 10.525 ( 1.368 0.000 0.000) 1.368 10.546 ( -0.905 0.000 0.000) 0.905 10.634 ( 6.377 0.000 0.000) 6.377 10.739 ( -4.093 0.000 0.000) 4.093 10.755 ( 5.567 0.000 0.000) 5.567 10.829 ( -2.427 0.000 0.000) 2.427 10.952 ( 5.740 0.000 0.000) 5.740 11.063 ( -5.886 0.000 0.000) 5.886 11.071 ( 7.191 0.000 0.000) 7.191 11.220 ( -7.884 0.000 0.000) 7.884 11.527 ( 1.431 0.000 0.000) 1.431 11.555 ( -1.497 0.000 0.000) 1.497 13.921 ( 0.965 0.000 0.000) 0.965 13.931 ( -0.263 0.000 0.000) 0.263 14.039 ( 3.482 0.000 0.000) 3.482 14.104 ( -3.258 0.000 0.000) 3.258 14.168 ( 0.444 0.000 0.000) 0.444 14.169 ( 0.360 0.000 0.000) 0.360 14.260 ( 4.909 0.000 0.000) 4.909 14.280 ( 6.142 0.000 0.000) 6.142 14.357 ( -5.176 0.000 0.000) 5.176 14.385 ( -2.710 0.000 0.000) 2.710 14.491 ( 1.848 0.000 0.000) 1.848 14.586 ( -6.229 0.000 0.000) 6.229 14.824 ( 4.585 0.000 0.000) 4.585 14.855 ( 5.696 0.000 0.000) 5.696 14.881 ( 0.079 0.000 0.000) 0.079 14.960 ( -5.026 0.000 0.000) 5.026 15.008 ( 3.346 0.000 0.000) 3.346 15.157 ( 0.975 0.000 0.000) 0.975 15.162 ( -11.044 0.000 0.000) 11.044 15.175 ( -1.104 0.000 0.000) 1.104 15.569 ( 2.044 0.000 0.000) 2.044 15.606 ( -1.833 0.000 0.000) 1.833 15.923 ( 5.971 0.000 0.000) 5.971 16.008 ( -2.893 0.000 0.000) 2.893 16.219 ( 0.718 0.000 0.000) 0.718 16.221 ( 0.212 0.000 0.000) 0.212 16.222 ( 1.369 0.000 0.000) 1.369 16.252 ( -1.647 0.000 0.000) 1.647 16.310 ( 0.396 0.000 0.000) 0.396 16.341 ( -2.389 0.000 0.000) 2.389 16.384 ( 1.417 0.000 0.000) 1.417 16.421 ( -2.456 0.000 0.000) 2.456 ======================= Grid point 5 (4/27) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 27 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.567 ( 0.000 30.032 0.000) 30.032 0.581 ( 0.000 30.884 0.000) 30.884 0.982 ( 0.000 51.760 0.000) 51.760 1.998 ( 0.000 -19.492 0.000) 19.492 2.054 ( 0.000 -15.311 0.000) 15.311 2.241 ( 0.000 2.989 0.000) 2.989 2.388 ( 0.000 5.419 0.000) 5.419 2.518 ( 0.000 -1.694 0.000) 1.694 2.522 ( 0.000 0.873 0.000) 0.873 2.579 ( 0.000 10.487 0.000) 10.487 2.633 ( 0.000 2.012 0.000) 2.012 2.657 ( 0.000 -2.937 0.000) 2.937 2.696 ( 0.000 -4.887 0.000) 4.887 2.701 ( 0.000 2.075 0.000) 2.075 2.730 ( 0.000 0.550 0.000) 0.550 2.739 ( 0.000 0.911 0.000) 0.911 2.842 ( 0.000 -2.274 0.000) 2.274 2.880 ( 0.000 3.356 0.000) 3.356 3.032 ( 0.000 -3.803 0.000) 3.803 3.063 ( 0.000 3.110 0.000) 3.110 3.068 ( 0.000 -1.399 0.000) 1.399 3.104 ( 0.000 -2.803 0.000) 2.803 3.105 ( 0.000 -0.226 0.000) 0.226 3.164 ( 0.000 -15.793 0.000) 15.793 3.173 ( 0.000 2.466 0.000) 2.466 3.394 ( 0.000 -4.481 0.000) 4.481 3.422 ( 0.000 -2.263 0.000) 2.263 3.521 ( 0.000 2.944 0.000) 2.944 3.542 ( 0.000 1.656 0.000) 1.656 3.558 ( 0.000 1.526 0.000) 1.526 3.604 ( 0.000 7.893 0.000) 7.893 3.617 ( 0.000 3.928 0.000) 3.928 3.697 ( 0.000 1.721 0.000) 1.721 3.699 ( 0.000 5.090 0.000) 5.090 3.757 ( 0.000 3.236 0.000) 3.236 3.762 ( 0.000 -4.480 0.000) 4.480 3.790 ( 0.000 -10.036 0.000) 10.036 3.854 ( 0.000 8.035 0.000) 8.035 3.970 ( 0.000 3.131 0.000) 3.131 4.036 ( 0.000 -7.639 0.000) 7.639 4.037 ( 0.000 0.067 0.000) 0.067 4.064 ( 0.000 -0.761 0.000) 0.761 4.112 ( 0.000 -2.156 0.000) 2.156 4.183 ( 0.000 -1.986 0.000) 1.986 4.196 ( 0.000 7.391 0.000) 7.391 4.233 ( 0.000 -1.705 0.000) 1.705 4.253 ( 0.000 -0.459 0.000) 0.459 4.263 ( 0.000 6.347 0.000) 6.347 4.320 ( 0.000 -0.665 0.000) 0.665 4.325 ( 0.000 3.393 0.000) 3.393 4.426 ( 0.000 0.981 0.000) 0.981 4.451 ( 0.000 1.808 0.000) 1.808 4.527 ( 0.000 2.735 0.000) 2.735 4.538 ( 0.000 -2.786 0.000) 2.786 4.621 ( 0.000 -1.821 0.000) 1.821 4.641 ( 0.000 -2.195 0.000) 2.195 4.668 ( 0.000 -2.218 0.000) 2.218 4.680 ( 0.000 -3.078 0.000) 3.078 4.686 ( 0.000 1.061 0.000) 1.061 4.755 ( 0.000 1.023 0.000) 1.023 4.762 ( 0.000 0.947 0.000) 0.947 4.793 ( 0.000 2.965 0.000) 2.965 4.844 ( 0.000 -7.318 0.000) 7.318 4.846 ( 0.000 2.509 0.000) 2.509 4.913 ( 0.000 -3.194 0.000) 3.194 4.917 ( 0.000 1.270 0.000) 1.270 4.921 ( 0.000 5.933 0.000) 5.933 4.946 ( 0.000 2.534 0.000) 2.534 5.028 ( 0.000 -2.877 0.000) 2.877 5.063 ( 0.000 2.067 0.000) 2.067 5.080 ( 0.000 -7.856 0.000) 7.856 5.103 ( 0.000 1.000 0.000) 1.000 5.179 ( 0.000 2.363 0.000) 2.363 5.218 ( 0.000 5.482 0.000) 5.482 5.248 ( 0.000 -2.511 0.000) 2.511 5.408 ( 0.000 8.655 0.000) 8.655 5.411 ( 0.000 -0.796 0.000) 0.796 5.416 ( 0.000 -1.124 0.000) 1.124 5.475 ( 0.000 0.553 0.000) 0.553 5.486 ( 0.000 -1.182 0.000) 1.182 5.538 ( 0.000 -1.935 0.000) 1.935 5.691 ( 0.000 -4.514 0.000) 4.514 5.696 ( 0.000 4.827 0.000) 4.827 5.818 ( 0.000 0.707 0.000) 0.707 5.822 ( 0.000 0.349 0.000) 0.349 5.843 ( 0.000 -2.151 0.000) 2.151 5.847 ( 0.000 1.082 0.000) 1.082 5.914 ( 0.000 -1.460 0.000) 1.460 5.916 ( 0.000 -1.311 0.000) 1.311 6.006 ( 0.000 0.531 0.000) 0.531 6.059 ( 0.000 0.364 0.000) 0.364 6.117 ( 0.000 2.422 0.000) 2.422 6.139 ( 0.000 1.019 0.000) 1.019 6.161 ( 0.000 -6.584 0.000) 6.584 6.183 ( 0.000 -2.915 0.000) 2.915 6.219 ( 0.000 -17.744 0.000) 17.744 6.256 ( 0.000 -0.756 0.000) 0.756 6.266 ( 0.000 0.593 0.000) 0.593 6.367 ( 0.000 -10.311 0.000) 10.311 6.371 ( 0.000 6.032 0.000) 6.032 6.395 ( 0.000 3.969 0.000) 3.969 6.395 ( 0.000 -10.408 0.000) 10.408 6.428 ( 0.000 -0.541 0.000) 0.541 6.456 ( 0.000 -0.979 0.000) 0.979 6.458 ( 0.000 -2.314 0.000) 2.314 6.468 ( 0.000 2.158 0.000) 2.158 6.542 ( 0.000 -2.453 0.000) 2.453 6.547 ( 0.000 -2.351 0.000) 2.351 6.572 ( 0.000 4.906 0.000) 4.906 6.602 ( 0.000 2.981 0.000) 2.981 6.653 ( 0.000 3.133 0.000) 3.133 6.723 ( 0.000 7.371 0.000) 7.371 6.758 ( 0.000 3.413 0.000) 3.413 6.811 ( 0.000 -1.991 0.000) 1.991 6.853 ( 0.000 5.962 0.000) 5.962 6.938 ( 0.000 -8.502 0.000) 8.502 6.975 ( 0.000 -4.710 0.000) 4.710 6.980 ( 0.000 -1.443 0.000) 1.443 6.995 ( 0.000 1.465 0.000) 1.465 7.083 ( 0.000 0.236 0.000) 0.236 7.093 ( 0.000 -3.784 0.000) 3.784 7.121 ( 0.000 0.575 0.000) 0.575 7.184 ( 0.000 7.755 0.000) 7.755 7.187 ( 0.000 2.363 0.000) 2.363 7.217 ( 0.000 3.766 0.000) 3.766 7.246 ( 0.000 2.962 0.000) 2.962 7.331 ( 0.000 0.692 0.000) 0.692 7.395 ( 0.000 3.737 0.000) 3.737 7.428 ( 0.000 0.978 0.000) 0.978 7.466 ( 0.000 1.097 0.000) 1.097 7.545 ( 0.000 2.690 0.000) 2.690 7.568 ( 0.000 0.034 0.000) 0.034 7.614 ( 0.000 0.212 0.000) 0.212 7.710 ( 0.000 1.295 0.000) 1.295 7.722 ( 0.000 -2.329 0.000) 2.329 7.734 ( 0.000 4.924 0.000) 4.924 7.743 ( 0.000 4.349 0.000) 4.349 7.766 ( 0.000 -0.435 0.000) 0.435 7.824 ( 0.000 -0.678 0.000) 0.678 7.874 ( 0.000 2.337 0.000) 2.337 7.926 ( 0.000 -1.845 0.000) 1.845 7.942 ( 0.000 -4.631 0.000) 4.631 7.949 ( 0.000 5.219 0.000) 5.219 7.959 ( 0.000 -10.424 0.000) 10.424 8.002 ( 0.000 -1.327 0.000) 1.327 8.015 ( 0.000 -6.502 0.000) 6.502 8.051 ( 0.000 -4.138 0.000) 4.138 8.114 ( 0.000 0.583 0.000) 0.583 8.183 ( 0.000 4.351 0.000) 4.351 8.200 ( 0.000 -3.217 0.000) 3.217 8.216 ( 0.000 -6.788 0.000) 6.788 8.286 ( 0.000 -3.735 0.000) 3.735 8.287 ( 0.000 -5.083 0.000) 5.083 8.315 ( 0.000 0.132 0.000) 0.132 8.359 ( 0.000 0.087 0.000) 0.087 8.468 ( 0.000 5.713 0.000) 5.713 8.545 ( 0.000 -3.658 0.000) 3.658 8.563 ( 0.000 -2.156 0.000) 2.156 8.610 ( 0.000 1.043 0.000) 1.043 8.638 ( 0.000 -2.003 0.000) 2.003 8.670 ( 0.000 3.729 0.000) 3.729 8.726 ( 0.000 -2.722 0.000) 2.722 8.751 ( 0.000 -1.566 0.000) 1.566 8.783 ( 0.000 2.032 0.000) 2.032 8.834 ( 0.000 -1.751 0.000) 1.751 8.935 ( 0.000 -1.758 0.000) 1.758 8.945 ( 0.000 2.420 0.000) 2.420 8.997 ( 0.000 1.530 0.000) 1.530 9.114 ( 0.000 6.353 0.000) 6.353 9.153 ( 0.000 -2.625 0.000) 2.625 9.192 ( 0.000 0.789 0.000) 0.789 9.206 ( 0.000 1.210 0.000) 1.210 9.236 ( 0.000 -1.347 0.000) 1.347 9.302 ( 0.000 -2.232 0.000) 2.232 9.372 ( 0.000 -0.209 0.000) 0.209 9.412 ( 0.000 4.378 0.000) 4.378 9.433 ( 0.000 2.273 0.000) 2.273 9.495 ( 0.000 5.367 0.000) 5.367 9.548 ( 0.000 -1.824 0.000) 1.824 9.625 ( 0.000 1.925 0.000) 1.925 9.714 ( 0.000 2.699 0.000) 2.699 9.716 ( 0.000 -2.499 0.000) 2.499 9.718 ( 0.000 -0.141 0.000) 0.141 9.736 ( 0.000 1.893 0.000) 1.893 9.741 ( 0.000 -2.115 0.000) 2.115 9.749 ( 0.000 2.417 0.000) 2.417 9.786 ( 0.000 2.872 0.000) 2.872 9.895 ( 0.000 1.077 0.000) 1.077 9.923 ( 0.000 0.808 0.000) 0.808 10.000 ( 0.000 -2.137 0.000) 2.137 10.017 ( 0.000 -2.514 0.000) 2.514 10.059 ( 0.000 8.585 0.000) 8.585 10.153 ( 0.000 -5.205 0.000) 5.205 10.197 ( 0.000 -0.574 0.000) 0.574 10.340 ( 0.000 6.204 0.000) 6.204 10.388 ( 0.000 2.718 0.000) 2.718 10.392 ( 0.000 -8.293 0.000) 8.293 10.510 ( 0.000 -4.353 0.000) 4.353 10.634 ( 0.000 -4.860 0.000) 4.860 10.663 ( 0.000 3.789 0.000) 3.789 10.768 ( 0.000 -6.617 0.000) 6.617 10.776 ( 0.000 -1.768 0.000) 1.768 10.929 ( 0.000 9.652 0.000) 9.652 11.053 ( 0.000 8.766 0.000) 8.766 11.229 ( 0.000 3.030 0.000) 3.030 11.355 ( 0.000 -2.847 0.000) 2.847 11.465 ( 0.000 -3.265 0.000) 3.265 11.490 ( 0.000 -3.711 0.000) 3.711 13.916 ( 0.000 4.081 0.000) 4.081 13.942 ( 0.000 1.329 0.000) 1.329 13.982 ( 0.000 2.687 0.000) 2.687 14.084 ( 0.000 0.188 0.000) 0.188 14.130 ( 0.000 -2.548 0.000) 2.548 14.135 ( 0.000 -0.827 0.000) 0.827 14.139 ( 0.000 -1.564 0.000) 1.564 14.183 ( 0.000 -1.470 0.000) 1.470 14.423 ( 0.000 1.524 0.000) 1.524 14.440 ( 0.000 1.167 0.000) 1.167 14.496 ( 0.000 0.391 0.000) 0.391 14.569 ( 0.000 -0.741 0.000) 0.741 14.664 ( 0.000 -2.222 0.000) 2.222 14.763 ( 0.000 -5.484 0.000) 5.484 14.808 ( 0.000 5.193 0.000) 5.193 15.039 ( 0.000 -2.054 0.000) 2.054 15.150 ( 0.000 2.670 0.000) 2.670 15.253 ( 0.000 3.955 0.000) 3.955 15.436 ( 0.000 -5.450 0.000) 5.450 15.528 ( 0.000 -5.018 0.000) 5.018 15.606 ( 0.000 3.348 0.000) 3.348 15.671 ( 0.000 0.217 0.000) 0.217 15.713 ( 0.000 4.385 0.000) 4.385 15.932 ( 0.000 -3.097 0.000) 3.097 16.076 ( 0.000 2.745 0.000) 2.745 16.192 ( 0.000 0.647 0.000) 0.647 16.192 ( 0.000 -0.979 0.000) 0.979 16.289 ( 0.000 -0.274 0.000) 0.274 16.308 ( 0.000 -2.509 0.000) 2.509 16.339 ( 0.000 -1.331 0.000) 1.331 16.404 ( 0.000 0.268 0.000) 0.268 16.441 ( 0.000 -0.881 0.000) 0.881 ======================= Grid point 6 (5/27) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( 21.735 20.910 0.000) 30.160 0.886 ( 22.377 22.829 0.000) 31.967 1.355 ( 35.510 32.845 0.000) 48.371 2.028 ( 0.449 -14.185 0.000) 14.192 2.107 ( -8.128 -6.251 0.000) 10.254 2.159 ( 3.127 -2.459 0.000) 3.978 2.305 ( -15.194 1.058 0.000) 15.231 2.411 ( 1.303 2.336 0.000) 2.675 2.484 ( -1.037 1.881 0.000) 2.148 2.517 ( -2.818 -0.001 0.000) 2.818 2.615 ( -1.979 -0.989 0.000) 2.212 2.631 ( -5.029 -2.042 0.000) 5.428 2.636 ( -1.252 -1.468 0.000) 1.930 2.680 ( -3.365 0.317 0.000) 3.380 2.722 ( -0.976 -1.664 0.000) 1.929 2.758 ( 0.596 -4.587 0.000) 4.626 2.857 ( -0.632 -5.128 0.000) 5.167 2.886 ( -0.018 3.797 0.000) 3.797 3.046 ( -0.971 -1.721 0.000) 1.976 3.061 ( -3.919 0.917 0.000) 4.025 3.064 ( -1.489 -0.329 0.000) 1.525 3.117 ( 0.137 -7.469 0.000) 7.470 3.126 ( 1.605 3.420 0.000) 3.778 3.138 ( 1.358 -3.326 0.000) 3.593 3.277 ( 8.688 1.075 0.000) 8.754 3.429 ( 0.295 -1.700 0.000) 1.725 3.429 ( 3.271 -3.244 0.000) 4.607 3.510 ( -2.317 2.359 0.000) 3.307 3.534 ( -1.731 1.682 0.000) 2.414 3.564 ( 0.292 4.323 0.000) 4.333 3.600 ( 1.927 7.236 0.000) 7.488 3.625 ( -0.807 -0.435 0.000) 0.917 3.661 ( 1.358 -0.589 0.000) 1.480 3.729 ( 2.542 2.801 0.000) 3.782 3.735 ( -10.281 4.113 0.000) 11.074 3.747 ( 3.344 -1.343 0.000) 3.603 3.847 ( 5.293 -3.192 0.000) 6.181 3.940 ( 5.500 3.796 0.000) 6.683 3.972 ( -2.499 4.990 0.000) 5.581 4.023 ( -1.022 -4.213 0.000) 4.335 4.083 ( 2.052 -2.136 0.000) 2.962 4.085 ( 1.910 2.031 0.000) 2.788 4.112 ( 2.589 -0.939 0.000) 2.754 4.164 ( 0.221 -4.053 0.000) 4.059 4.207 ( -0.089 -1.132 0.000) 1.136 4.234 ( 2.300 1.759 0.000) 2.895 4.241 ( 1.191 -0.859 0.000) 1.468 4.275 ( 1.381 2.205 0.000) 2.602 4.308 ( 1.628 -0.041 0.000) 1.628 4.342 ( -0.035 5.227 0.000) 5.227 4.432 ( -0.507 7.287 0.000) 7.305 4.465 ( 2.560 0.078 0.000) 2.562 4.500 ( -3.816 -3.513 0.000) 5.187 4.529 ( -4.411 -2.752 0.000) 5.199 4.545 ( 5.538 3.374 0.000) 6.485 4.614 ( 2.403 1.357 0.000) 2.760 4.702 ( -2.033 -0.222 0.000) 2.045 4.745 ( 3.156 -1.552 0.000) 3.517 4.760 ( 5.574 -2.932 0.000) 6.299 4.761 ( 2.261 -2.828 0.000) 3.621 4.810 ( -3.205 3.573 0.000) 4.800 4.859 ( 5.622 3.661 0.000) 6.709 4.861 ( 6.997 -0.646 0.000) 7.026 4.916 ( -0.632 2.263 0.000) 2.350 4.918 ( 2.880 1.409 0.000) 3.206 4.941 ( -1.789 -0.850 0.000) 1.980 4.965 ( 2.956 -3.028 0.000) 4.232 4.989 ( 5.296 -2.346 0.000) 5.793 5.009 ( 6.182 -2.728 0.000) 6.757 5.033 ( 1.810 0.813 0.000) 1.984 5.116 ( 1.803 0.525 0.000) 1.878 5.177 ( 0.831 -1.537 0.000) 1.748 5.203 ( 1.299 6.534 0.000) 6.662 5.219 ( -0.388 -0.175 0.000) 0.425 5.237 ( 0.091 -1.498 0.000) 1.501 5.344 ( -3.657 4.821 0.000) 6.051 5.355 ( -3.114 -0.945 0.000) 3.254 5.435 ( 0.149 -2.808 0.000) 2.812 5.471 ( -3.042 1.974 0.000) 3.626 5.534 ( 5.324 -0.125 0.000) 5.325 5.561 ( -0.896 0.004 0.000) 0.896 5.627 ( -6.275 -0.322 0.000) 6.284 5.670 ( -2.700 -5.757 0.000) 6.358 5.712 ( -5.078 4.623 0.000) 6.867 5.762 ( -8.310 -0.849 0.000) 8.353 5.787 ( -4.469 -2.671 0.000) 5.207 5.807 ( -3.387 -0.288 0.000) 3.400 5.829 ( -2.715 -0.070 0.000) 2.716 5.879 ( -4.531 0.946 0.000) 4.628 6.009 ( -6.290 7.173 0.000) 9.540 6.044 ( -3.974 -2.441 0.000) 4.663 6.093 ( -5.092 -4.227 0.000) 6.618 6.094 ( 0.420 -6.424 0.000) 6.437 6.125 ( -1.849 -3.695 0.000) 4.132 6.163 ( -3.311 -1.747 0.000) 3.744 6.188 ( -5.585 1.849 0.000) 5.884 6.199 ( -1.688 -4.805 0.000) 5.093 6.240 ( -0.924 -0.549 0.000) 1.075 6.308 ( -2.795 -0.508 0.000) 2.841 6.332 ( -1.751 -6.041 0.000) 6.289 6.349 ( -7.217 -1.355 0.000) 7.343 6.370 ( -1.478 -3.771 0.000) 4.051 6.424 ( -3.323 0.041 0.000) 3.323 6.448 ( -2.634 -3.161 0.000) 4.115 6.461 ( 2.164 -0.390 0.000) 2.199 6.508 ( 1.661 -0.290 0.000) 1.686 6.517 ( -0.864 -1.986 0.000) 2.166 6.565 ( 5.732 -0.017 0.000) 5.732 6.603 ( 0.999 1.610 0.000) 1.895 6.660 ( 4.582 -2.522 0.000) 5.230 6.677 ( 2.977 -0.610 0.000) 3.039 6.736 ( 1.311 8.488 0.000) 8.589 6.782 ( -1.833 -2.157 0.000) 2.830 6.794 ( -0.252 -4.025 0.000) 4.033 6.839 ( -2.515 3.235 0.000) 4.098 6.945 ( 5.801 1.194 0.000) 5.923 6.960 ( -5.416 -0.281 0.000) 5.423 6.966 ( -0.110 2.036 0.000) 2.039 6.976 ( 1.670 1.696 0.000) 2.380 7.095 ( -1.915 7.513 0.000) 7.753 7.114 ( -0.250 0.755 0.000) 0.795 7.142 ( 2.328 3.646 0.000) 4.326 7.151 ( -0.449 3.133 0.000) 3.165 7.175 ( 3.946 -0.751 0.000) 4.017 7.227 ( -0.580 1.498 0.000) 1.606 7.286 ( -2.193 2.260 0.000) 3.149 7.323 ( 3.377 1.485 0.000) 3.689 7.414 ( 2.424 0.264 0.000) 2.438 7.437 ( 1.273 -0.528 0.000) 1.378 7.501 ( -5.329 0.424 0.000) 5.345 7.545 ( 4.242 0.222 0.000) 4.248 7.578 ( -3.351 -2.576 0.000) 4.227 7.582 ( 6.574 0.584 0.000) 6.599 7.667 ( -4.106 5.394 0.000) 6.779 7.689 ( -2.586 2.155 0.000) 3.366 7.724 ( 1.624 0.844 0.000) 1.830 7.776 ( -1.312 -1.266 0.000) 1.824 7.797 ( 1.678 3.558 0.000) 3.934 7.856 ( 4.100 -2.075 0.000) 4.596 7.876 ( -1.782 -2.777 0.000) 3.299 7.891 ( -4.430 2.359 0.000) 5.019 7.914 ( -1.721 -3.651 0.000) 4.037 7.932 ( 0.875 1.270 0.000) 1.542 8.000 ( 2.840 -4.582 0.000) 5.391 8.040 ( 1.654 -2.915 0.000) 3.352 8.042 ( 1.518 -5.898 0.000) 6.090 8.075 ( 6.066 -4.488 0.000) 7.546 8.160 ( 3.962 -0.981 0.000) 4.082 8.205 ( -0.768 -6.077 0.000) 6.125 8.225 ( 3.616 3.528 0.000) 5.052 8.238 ( 1.237 -5.786 0.000) 5.917 8.252 ( -1.786 -4.856 0.000) 5.174 8.318 ( 0.390 0.313 0.000) 0.501 8.323 ( 2.855 -0.420 0.000) 2.886 8.418 ( 4.463 -4.110 0.000) 6.068 8.501 ( -0.731 0.620 0.000) 0.959 8.508 ( -4.994 -3.350 0.000) 6.014 8.554 ( 4.385 3.266 0.000) 5.468 8.561 ( -2.073 4.110 0.000) 4.603 8.609 ( -0.646 -0.689 0.000) 0.945 8.670 ( -1.972 4.499 0.000) 4.912 8.758 ( -1.533 1.101 0.000) 1.888 8.798 ( 3.324 -2.682 0.000) 4.272 8.852 ( 3.885 -1.978 0.000) 4.359 8.899 ( -3.248 -1.542 0.000) 3.596 8.910 ( 6.527 0.120 0.000) 6.528 8.946 ( 1.180 -2.157 0.000) 2.459 9.011 ( 2.952 1.525 0.000) 3.322 9.097 ( -4.337 0.516 0.000) 4.368 9.114 ( -1.888 4.863 0.000) 5.216 9.173 ( -2.872 0.653 0.000) 2.945 9.195 ( 0.006 1.532 0.000) 1.532 9.224 ( -2.111 -1.971 0.000) 2.888 9.235 ( -4.004 4.985 0.000) 6.394 9.282 ( -4.619 1.166 0.000) 4.764 9.352 ( -4.979 -3.822 0.000) 6.277 9.406 ( -2.922 0.825 0.000) 3.037 9.498 ( -3.523 3.560 0.000) 5.009 9.560 ( 0.086 3.819 0.000) 3.820 9.574 ( 0.944 -1.117 0.000) 1.463 9.603 ( -0.406 3.652 0.000) 3.674 9.651 ( -2.346 -0.003 0.000) 2.346 9.768 ( 2.855 -1.527 0.000) 3.238 9.780 ( 3.564 2.647 0.000) 4.439 9.785 ( 3.456 1.114 0.000) 3.631 9.877 ( 1.748 1.451 0.000) 2.272 9.910 ( 4.159 -2.992 0.000) 5.124 9.941 ( 1.833 -2.024 0.000) 2.731 9.957 ( 6.546 1.354 0.000) 6.685 9.970 ( -1.852 0.692 0.000) 1.977 9.998 ( -1.821 -1.680 0.000) 2.478 10.066 ( -1.079 1.611 0.000) 1.939 10.185 ( 3.535 -1.959 0.000) 4.042 10.213 ( 1.061 -0.805 0.000) 1.332 10.326 ( -1.579 1.553 0.000) 2.215 10.336 ( -2.979 1.202 0.000) 3.212 10.431 ( 4.135 -3.346 0.000) 5.319 10.560 ( 0.734 -1.742 0.000) 1.891 10.652 ( -0.420 3.433 0.000) 3.459 10.661 ( 3.780 1.581 0.000) 4.097 10.778 ( 1.127 -5.611 0.000) 5.723 10.825 ( 4.390 -2.522 0.000) 5.063 10.845 ( -4.518 7.567 0.000) 8.813 11.068 ( 1.712 8.166 0.000) 8.344 11.171 ( -5.126 1.625 0.000) 5.377 11.323 ( -3.737 -2.032 0.000) 4.254 11.473 ( 0.813 -3.330 0.000) 3.428 11.523 ( 1.002 -4.721 0.000) 4.826 13.933 ( 1.357 3.933 0.000) 4.161 13.947 ( 0.330 1.568 0.000) 1.603 14.007 ( 2.565 2.678 0.000) 3.708 14.112 ( 1.009 -1.332 0.000) 1.671 14.137 ( 0.548 -2.489 0.000) 2.549 14.154 ( 2.265 -0.459 0.000) 2.311 14.171 ( 3.405 -1.622 0.000) 3.772 14.275 ( 3.628 3.385 0.000) 4.962 14.335 ( -0.379 -0.312 0.000) 0.491 14.458 ( -3.463 1.379 0.000) 3.727 14.515 ( -1.418 -2.357 0.000) 2.751 14.590 ( 5.373 -4.488 0.000) 7.001 14.682 ( 0.513 -3.025 0.000) 3.068 14.760 ( -3.709 3.779 0.000) 5.295 14.784 ( 2.379 -5.588 0.000) 6.074 15.037 ( -0.780 -1.779 0.000) 1.942 15.138 ( -1.238 2.102 0.000) 2.439 15.239 ( -1.243 3.654 0.000) 3.860 15.273 ( -13.048 10.441 0.000) 16.712 15.365 ( -6.823 -1.902 0.000) 7.083 15.564 ( -0.334 3.039 0.000) 3.058 15.667 ( -1.874 3.628 0.000) 4.083 15.773 ( 6.524 -1.951 0.000) 6.810 15.995 ( 0.156 -5.376 0.000) 5.379 16.151 ( 3.786 -2.500 0.000) 4.537 16.201 ( 1.055 -1.009 0.000) 1.460 16.201 ( 0.809 0.241 0.000) 0.844 16.268 ( -1.301 -1.000 0.000) 1.641 16.321 ( -0.068 -0.288 0.000) 0.296 16.337 ( 0.479 -2.341 0.000) 2.390 16.383 ( -1.942 0.120 0.000) 1.945 16.428 ( -1.496 -2.007 0.000) 2.503 ======================= Grid point 7 (6/27) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( 25.736 12.988 0.000) 28.828 1.330 ( 24.159 15.533 0.000) 28.722 1.751 ( -23.432 8.312 0.000) 24.862 1.781 ( -22.368 8.080 0.000) 23.783 2.089 ( 36.068 12.415 0.000) 38.145 2.267 ( 6.188 -12.873 0.000) 14.283 2.323 ( 9.207 -7.898 0.000) 12.130 2.445 ( 2.304 -6.370 0.000) 6.774 2.451 ( -3.929 -6.947 0.000) 7.981 2.466 ( -3.221 -3.174 0.000) 4.522 2.529 ( -5.694 -2.804 0.000) 6.347 2.589 ( 3.037 -0.256 0.000) 3.047 2.618 ( -3.120 0.754 0.000) 3.209 2.655 ( 1.052 -0.962 0.000) 1.425 2.691 ( -3.804 -6.384 0.000) 7.431 2.729 ( -4.313 -0.813 0.000) 4.389 2.798 ( -4.203 -6.119 0.000) 7.424 2.817 ( -14.103 2.767 0.000) 14.372 2.953 ( 1.389 2.850 0.000) 3.171 3.028 ( -3.333 1.412 0.000) 3.620 3.032 ( -0.404 1.356 0.000) 1.415 3.045 ( -2.283 -3.931 0.000) 4.546 3.162 ( 1.763 5.917 0.000) 6.174 3.180 ( 0.338 4.571 0.000) 4.584 3.387 ( 2.626 -1.006 0.000) 2.812 3.422 ( -1.315 0.297 0.000) 1.348 3.455 ( -1.223 -2.574 0.000) 2.850 3.460 ( 0.449 -3.253 0.000) 3.284 3.533 ( -4.015 -1.197 0.000) 4.189 3.533 ( -0.338 0.216 0.000) 0.401 3.574 ( 0.366 3.220 0.000) 3.241 3.595 ( -1.872 -0.464 0.000) 1.929 3.717 ( 6.286 5.045 0.000) 8.060 3.781 ( 1.249 6.801 0.000) 6.915 3.790 ( 1.936 -2.733 0.000) 3.349 3.793 ( 6.791 3.668 0.000) 7.718 3.897 ( -0.394 4.780 0.000) 4.796 3.939 ( -0.505 -1.551 0.000) 1.632 3.947 ( -0.018 2.530 0.000) 2.531 3.970 ( -0.528 3.650 0.000) 3.688 4.024 ( -4.454 3.355 0.000) 5.576 4.065 ( -5.098 5.699 0.000) 7.647 4.203 ( 2.114 -5.080 0.000) 5.502 4.225 ( 1.869 -3.770 0.000) 4.208 4.261 ( 2.821 0.633 0.000) 2.891 4.267 ( 5.102 -4.836 0.000) 7.030 4.282 ( 2.239 -2.550 0.000) 3.394 4.345 ( 1.389 -0.348 0.000) 1.432 4.347 ( 1.747 -1.507 0.000) 2.307 4.379 ( -4.832 0.249 0.000) 4.838 4.425 ( 6.447 2.682 0.000) 6.983 4.458 ( 1.666 0.520 0.000) 1.746 4.513 ( 2.002 3.190 0.000) 3.766 4.531 ( 2.537 2.383 0.000) 3.480 4.628 ( -0.511 4.297 0.000) 4.327 4.646 ( 2.306 -0.729 0.000) 2.419 4.689 ( -3.493 2.605 0.000) 4.358 4.716 ( -3.348 -1.570 0.000) 3.697 4.769 ( 5.043 1.483 0.000) 5.257 4.831 ( 1.699 -3.082 0.000) 3.519 4.854 ( 3.963 -1.086 0.000) 4.109 4.919 ( -1.068 -0.075 0.000) 1.070 4.932 ( 3.479 0.450 0.000) 3.508 4.938 ( 2.200 -2.646 0.000) 3.441 4.972 ( 0.953 2.788 0.000) 2.946 4.976 ( 1.361 -2.132 0.000) 2.529 5.036 ( -1.103 -2.145 0.000) 2.412 5.037 ( 7.944 1.860 0.000) 8.159 5.071 ( 2.811 4.333 0.000) 5.165 5.134 ( -5.985 0.449 0.000) 6.002 5.136 ( -1.058 3.792 0.000) 3.937 5.150 ( -1.978 1.742 0.000) 2.636 5.184 ( 8.418 0.653 0.000) 8.444 5.215 ( -1.086 2.724 0.000) 2.933 5.259 ( -6.274 0.802 0.000) 6.325 5.308 ( 8.190 -0.394 0.000) 8.199 5.359 ( -8.596 2.995 0.000) 9.103 5.360 ( 4.819 -3.165 0.000) 5.765 5.448 ( -0.022 -2.719 0.000) 2.719 5.449 ( -2.198 -0.145 0.000) 2.203 5.566 ( -3.655 -2.383 0.000) 4.363 5.582 ( -4.093 -0.595 0.000) 4.136 5.607 ( -6.235 -3.063 0.000) 6.946 5.608 ( -5.985 -4.584 0.000) 7.539 5.689 ( -1.107 -2.074 0.000) 2.351 5.726 ( -4.248 -0.447 0.000) 4.271 5.750 ( 1.245 2.938 0.000) 3.191 5.753 ( 6.684 -1.311 0.000) 6.812 5.854 ( 2.209 2.631 0.000) 3.435 5.865 ( -6.507 1.633 0.000) 6.709 5.930 ( -5.662 -6.452 0.000) 8.584 5.969 ( -7.575 8.795 0.000) 11.607 6.050 ( -5.937 -5.592 0.000) 8.156 6.061 ( -8.062 -5.360 0.000) 9.681 6.145 ( 5.945 -1.276 0.000) 6.081 6.172 ( 2.458 2.114 0.000) 3.242 6.191 ( 3.685 1.984 0.000) 4.185 6.234 ( -0.503 -0.577 0.000) 0.765 6.245 ( -3.401 -3.337 0.000) 4.765 6.269 ( -2.403 -1.381 0.000) 2.771 6.308 ( 1.545 -1.210 0.000) 1.963 6.355 ( -3.371 -0.554 0.000) 3.416 6.371 ( -1.003 -6.025 0.000) 6.108 6.388 ( -3.003 -5.373 0.000) 6.156 6.431 ( -2.870 -4.230 0.000) 5.112 6.451 ( -4.635 -4.664 0.000) 6.576 6.552 ( 4.580 -3.848 0.000) 5.982 6.610 ( -0.289 -7.285 0.000) 7.291 6.705 ( 3.181 1.071 0.000) 3.356 6.712 ( -0.092 -0.196 0.000) 0.217 6.724 ( 1.687 -1.626 0.000) 2.343 6.741 ( -1.125 6.267 0.000) 6.368 6.754 ( 0.506 2.818 0.000) 2.863 6.797 ( 2.085 4.292 0.000) 4.772 6.833 ( 0.253 -1.188 0.000) 1.214 6.834 ( -4.197 -0.659 0.000) 4.248 6.975 ( 1.443 4.328 0.000) 4.562 7.006 ( -0.860 -1.011 0.000) 1.327 7.080 ( 4.623 2.342 0.000) 5.182 7.130 ( 2.609 6.435 0.000) 6.944 7.134 ( 5.045 4.689 0.000) 6.887 7.147 ( -0.773 4.527 0.000) 4.592 7.178 ( 1.117 4.753 0.000) 4.882 7.193 ( -1.938 1.525 0.000) 2.466 7.227 ( 3.984 3.248 0.000) 5.140 7.265 ( -0.184 2.095 0.000) 2.103 7.323 ( -5.297 1.064 0.000) 5.403 7.381 ( -8.113 1.815 0.000) 8.314 7.431 ( 4.147 -2.006 0.000) 4.607 7.514 ( -3.730 -3.887 0.000) 5.387 7.522 ( 4.981 0.813 0.000) 5.047 7.609 ( -3.270 1.819 0.000) 3.741 7.627 ( 5.369 -0.444 0.000) 5.388 7.647 ( 0.790 2.938 0.000) 3.042 7.696 ( -0.849 -1.614 0.000) 1.824 7.754 ( -7.314 -0.529 0.000) 7.333 7.766 ( 4.457 -0.176 0.000) 4.461 7.790 ( 4.996 1.991 0.000) 5.379 7.816 ( -0.111 -0.864 0.000) 0.871 7.855 ( -1.585 2.115 0.000) 2.643 7.877 ( -1.205 -2.020 0.000) 2.352 7.910 ( -3.381 -1.153 0.000) 3.572 7.966 ( 6.060 -7.181 0.000) 9.396 8.033 ( -0.304 -5.779 0.000) 5.787 8.064 ( 1.119 -2.222 0.000) 2.487 8.103 ( 0.811 -4.484 0.000) 4.557 8.169 ( -0.853 -5.051 0.000) 5.123 8.178 ( 3.305 -4.360 0.000) 5.471 8.209 ( -0.033 -4.937 0.000) 4.937 8.228 ( 2.620 -2.344 0.000) 3.516 8.246 ( -2.441 -2.550 0.000) 3.530 8.263 ( -0.240 -4.605 0.000) 4.611 8.334 ( 1.288 1.207 0.000) 1.765 8.355 ( -0.074 1.172 0.000) 1.174 8.461 ( 1.707 -3.604 0.000) 3.988 8.470 ( 1.285 -1.470 0.000) 1.952 8.526 ( -0.956 7.010 0.000) 7.075 8.531 ( 1.316 5.561 0.000) 5.714 8.581 ( -0.978 1.363 0.000) 1.677 8.612 ( -3.474 2.498 0.000) 4.278 8.692 ( 7.132 -1.229 0.000) 7.237 8.763 ( 4.865 3.040 0.000) 5.737 8.786 ( -4.270 -0.307 0.000) 4.281 8.874 ( 0.715 -2.144 0.000) 2.260 8.895 ( -1.565 0.862 0.000) 1.787 8.937 ( 5.480 0.437 0.000) 5.497 8.944 ( -10.357 0.993 0.000) 10.404 9.049 ( 5.383 0.455 0.000) 5.403 9.058 ( -6.160 4.279 0.000) 7.500 9.123 ( -1.963 -0.652 0.000) 2.069 9.127 ( 6.323 -3.040 0.000) 7.016 9.170 ( -0.875 0.296 0.000) 0.924 9.176 ( -0.408 3.825 0.000) 3.847 9.211 ( 0.052 1.470 0.000) 1.471 9.213 ( -4.736 -2.662 0.000) 5.432 9.265 ( -3.550 -1.243 0.000) 3.762 9.371 ( -1.141 -1.056 0.000) 1.555 9.382 ( -3.533 2.161 0.000) 4.142 9.580 ( 0.416 -2.611 0.000) 2.644 9.585 ( -0.584 -3.377 0.000) 3.427 9.647 ( 2.952 5.814 0.000) 6.520 9.654 ( 1.242 6.252 0.000) 6.374 9.825 ( 2.620 1.468 0.000) 3.003 9.839 ( 1.623 2.538 0.000) 3.013 9.859 ( 3.967 1.075 0.000) 4.110 9.893 ( 1.528 0.804 0.000) 1.727 9.908 ( -2.149 0.355 0.000) 2.178 9.946 ( -0.264 -0.227 0.000) 0.348 9.957 ( -2.862 -0.504 0.000) 2.906 9.960 ( -1.778 0.076 0.000) 1.779 10.049 ( 1.042 -0.785 0.000) 1.305 10.053 ( 2.333 0.277 0.000) 2.349 10.226 ( 0.673 -0.017 0.000) 0.673 10.233 ( 0.827 0.736 0.000) 1.107 10.295 ( -1.338 0.523 0.000) 1.437 10.295 ( -1.239 0.608 0.000) 1.380 10.507 ( 2.572 -1.048 0.000) 2.777 10.539 ( -1.559 1.292 0.000) 2.025 10.679 ( 3.584 2.709 0.000) 4.492 10.729 ( 0.957 0.939 0.000) 1.341 10.792 ( -1.060 1.578 0.000) 1.901 10.795 ( 0.185 -3.136 0.000) 3.142 10.927 ( 6.072 -3.100 0.000) 6.818 11.052 ( -6.960 -1.470 0.000) 7.114 11.124 ( 4.377 5.700 0.000) 7.186 11.226 ( -5.861 1.527 0.000) 6.057 11.494 ( 1.300 -3.501 0.000) 3.735 11.518 ( -1.061 -3.844 0.000) 3.988 13.951 ( 0.405 3.040 0.000) 3.067 13.952 ( 0.185 2.164 0.000) 2.172 14.068 ( 3.523 2.686 0.000) 4.430 14.115 ( -0.881 -0.102 0.000) 0.887 14.149 ( 0.772 -1.979 0.000) 2.124 14.173 ( -1.510 1.512 0.000) 2.136 14.260 ( 5.408 -1.845 0.000) 5.714 14.281 ( 2.600 2.000 0.000) 3.280 14.383 ( -3.890 2.684 0.000) 4.726 14.386 ( -2.283 -0.172 0.000) 2.290 14.496 ( 4.023 0.332 0.000) 4.037 14.612 ( -6.449 2.052 0.000) 6.768 14.694 ( 4.270 -7.876 0.000) 8.959 14.736 ( -0.351 -5.625 0.000) 5.636 14.865 ( 6.188 -5.848 0.000) 8.514 14.986 ( -5.114 -4.151 0.000) 6.586 15.107 ( -1.435 4.063 0.000) 4.309 15.124 ( -3.804 8.670 0.000) 9.468 15.221 ( -0.221 3.510 0.000) 3.517 15.249 ( -3.856 3.438 0.000) 5.166 15.586 ( 1.997 2.083 0.000) 2.886 15.628 ( -2.281 2.486 0.000) 3.374 15.887 ( 5.322 -3.953 0.000) 6.630 15.967 ( -2.947 -4.728 0.000) 5.571 16.190 ( 1.243 -1.418 0.000) 1.885 16.208 ( -0.420 -0.814 0.000) 0.916 16.229 ( 1.554 -0.779 0.000) 1.738 16.251 ( -0.651 -0.343 0.000) 0.736 16.313 ( 0.208 0.032 0.000) 0.210 16.340 ( -2.262 0.011 0.000) 2.262 16.358 ( 1.406 -2.093 0.000) 2.522 16.391 ( -2.086 -2.033 0.000) 2.913 ======================= Grid point 10 (7/27) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 27 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( 0.000 27.811 0.000) 27.811 1.139 ( 0.000 28.995 0.000) 28.995 1.591 ( 0.000 -24.205 0.000) 24.205 1.647 ( 0.000 -24.952 0.000) 24.952 1.901 ( 0.000 45.703 0.000) 45.703 2.378 ( 0.000 8.580 0.000) 8.580 2.482 ( 0.000 -1.254 0.000) 1.254 2.517 ( 0.000 1.765 0.000) 1.765 2.535 ( 0.000 3.040 0.000) 3.040 2.580 ( 0.000 -4.636 0.000) 4.636 2.635 ( 0.000 -0.844 0.000) 0.844 2.636 ( 0.000 -0.230 0.000) 0.230 2.663 ( 0.000 -5.357 0.000) 5.357 2.680 ( 0.000 -32.183 0.000) 32.183 2.738 ( 0.000 5.271 0.000) 5.271 2.758 ( 0.000 1.050 0.000) 1.050 2.770 ( 0.000 1.686 0.000) 1.686 2.790 ( 0.000 -2.909 0.000) 2.909 2.984 ( 0.000 6.639 0.000) 6.639 3.005 ( 0.000 0.113 0.000) 0.113 3.012 ( 0.000 -3.164 0.000) 3.164 3.024 ( 0.000 -3.838 0.000) 3.838 3.034 ( 0.000 -2.210 0.000) 2.210 3.096 ( 0.000 -3.981 0.000) 3.981 3.263 ( 0.000 5.877 0.000) 5.877 3.345 ( 0.000 -2.631 0.000) 2.631 3.439 ( 0.000 4.212 0.000) 4.212 3.544 ( 0.000 -4.508 0.000) 4.508 3.576 ( 0.000 3.566 0.000) 3.566 3.589 ( 0.000 1.689 0.000) 1.689 3.627 ( 0.000 -3.609 0.000) 3.609 3.654 ( 0.000 -3.899 0.000) 3.899 3.685 ( 0.000 3.761 0.000) 3.761 3.746 ( 0.000 -0.977 0.000) 0.977 3.774 ( 0.000 5.120 0.000) 5.120 3.833 ( 0.000 11.087 0.000) 11.087 3.852 ( 0.000 6.427 0.000) 6.427 3.893 ( 0.000 -7.397 0.000) 7.397 3.966 ( 0.000 3.313 0.000) 3.313 3.976 ( 0.000 -2.953 0.000) 2.953 4.035 ( 0.000 -4.169 0.000) 4.169 4.040 ( 0.000 -3.767 0.000) 3.767 4.068 ( 0.000 3.413 0.000) 3.413 4.138 ( 0.000 -3.210 0.000) 3.210 4.218 ( 0.000 1.003 0.000) 1.003 4.255 ( 0.000 -1.144 0.000) 1.144 4.296 ( 0.000 4.270 0.000) 4.270 4.337 ( 0.000 0.967 0.000) 0.967 4.340 ( 0.000 1.962 0.000) 1.962 4.352 ( 0.000 0.378 0.000) 0.378 4.444 ( 0.000 0.612 0.000) 0.612 4.482 ( 0.000 -3.382 0.000) 3.382 4.527 ( 0.000 5.720 0.000) 5.720 4.579 ( 0.000 -1.809 0.000) 1.809 4.586 ( 0.000 -1.400 0.000) 1.400 4.587 ( 0.000 3.333 0.000) 3.333 4.618 ( 0.000 -3.118 0.000) 3.118 4.642 ( 0.000 -0.822 0.000) 0.822 4.661 ( 0.000 -2.589 0.000) 2.589 4.678 ( 0.000 -7.514 0.000) 7.514 4.791 ( 0.000 1.693 0.000) 1.693 4.813 ( 0.000 -0.769 0.000) 0.769 4.827 ( 0.000 5.957 0.000) 5.957 4.896 ( 0.000 2.684 0.000) 2.684 4.906 ( 0.000 2.235 0.000) 2.235 4.948 ( 0.000 -6.437 0.000) 6.437 4.956 ( 0.000 -3.640 0.000) 3.640 4.959 ( 0.000 -1.752 0.000) 1.752 5.019 ( 0.000 5.453 0.000) 5.453 5.067 ( 0.000 10.430 0.000) 10.430 5.127 ( 0.000 1.894 0.000) 1.894 5.137 ( 0.000 -6.092 0.000) 6.092 5.181 ( 0.000 -3.841 0.000) 3.841 5.215 ( 0.000 12.426 0.000) 12.426 5.232 ( 0.000 -5.438 0.000) 5.438 5.415 ( 0.000 -7.570 0.000) 7.570 5.440 ( 0.000 6.646 0.000) 6.646 5.511 ( 0.000 3.952 0.000) 3.952 5.515 ( 0.000 12.068 0.000) 12.068 5.576 ( 0.000 6.724 0.000) 6.724 5.583 ( 0.000 -6.572 0.000) 6.572 5.586 ( 0.000 2.020 0.000) 2.020 5.735 ( 0.000 -8.589 0.000) 8.589 5.749 ( 0.000 2.701 0.000) 2.701 5.779 ( 0.000 -8.894 0.000) 8.894 5.830 ( 0.000 0.183 0.000) 0.183 5.879 ( 0.000 -3.275 0.000) 3.275 5.893 ( 0.000 -4.048 0.000) 4.048 5.910 ( 0.000 -4.889 0.000) 4.889 5.912 ( 0.000 5.146 0.000) 5.146 5.988 ( 0.000 -9.159 0.000) 9.159 5.990 ( 0.000 1.139 0.000) 1.139 6.001 ( 0.000 -3.597 0.000) 3.597 6.095 ( 0.000 -3.767 0.000) 3.767 6.127 ( 0.000 -1.610 0.000) 1.610 6.160 ( 0.000 -9.301 0.000) 9.301 6.195 ( 0.000 2.405 0.000) 2.405 6.240 ( 0.000 -2.411 0.000) 2.411 6.269 ( 0.000 0.683 0.000) 0.683 6.277 ( 0.000 -1.406 0.000) 1.406 6.426 ( 0.000 -0.560 0.000) 0.560 6.432 ( 0.000 -1.100 0.000) 1.100 6.458 ( 0.000 2.106 0.000) 2.106 6.496 ( 0.000 4.074 0.000) 4.074 6.497 ( 0.000 -2.554 0.000) 2.554 6.507 ( 0.000 4.511 0.000) 4.511 6.545 ( 0.000 3.763 0.000) 3.763 6.545 ( 0.000 6.661 0.000) 6.661 6.640 ( 0.000 -0.835 0.000) 0.835 6.648 ( 0.000 1.941 0.000) 1.941 6.687 ( 0.000 -4.201 0.000) 4.201 6.695 ( 0.000 -8.488 0.000) 8.488 6.725 ( 0.000 4.482 0.000) 4.482 6.809 ( 0.000 -4.510 0.000) 4.510 6.927 ( 0.000 -0.154 0.000) 0.154 6.933 ( 0.000 3.176 0.000) 3.176 6.970 ( 0.000 -4.198 0.000) 4.198 6.972 ( 0.000 -0.800 0.000) 0.800 7.019 ( 0.000 16.706 0.000) 16.706 7.078 ( 0.000 0.188 0.000) 0.188 7.099 ( 0.000 -1.913 0.000) 1.913 7.122 ( 0.000 7.729 0.000) 7.729 7.190 ( 0.000 -2.909 0.000) 2.909 7.292 ( 0.000 -5.577 0.000) 5.577 7.297 ( 0.000 5.110 0.000) 5.110 7.341 ( 0.000 6.858 0.000) 6.858 7.348 ( 0.000 5.886 0.000) 5.886 7.408 ( 0.000 -4.707 0.000) 4.707 7.480 ( 0.000 4.491 0.000) 4.491 7.490 ( 0.000 0.804 0.000) 0.804 7.520 ( 0.000 -3.776 0.000) 3.776 7.539 ( 0.000 -2.915 0.000) 2.915 7.620 ( 0.000 1.002 0.000) 1.002 7.694 ( 0.000 -0.786 0.000) 0.786 7.715 ( 0.000 -11.251 0.000) 11.251 7.732 ( 0.000 -3.926 0.000) 3.926 7.743 ( 0.000 2.561 0.000) 2.561 7.790 ( 0.000 -0.687 0.000) 0.687 7.828 ( 0.000 3.687 0.000) 3.687 7.830 ( 0.000 2.050 0.000) 2.050 7.874 ( 0.000 -2.100 0.000) 2.100 7.887 ( 0.000 -2.756 0.000) 2.756 7.929 ( 0.000 3.502 0.000) 3.502 7.934 ( 0.000 -0.520 0.000) 0.520 7.982 ( 0.000 -3.014 0.000) 3.014 8.013 ( 0.000 -5.014 0.000) 5.014 8.047 ( 0.000 5.828 0.000) 5.828 8.079 ( 0.000 0.085 0.000) 0.085 8.149 ( 0.000 -3.721 0.000) 3.721 8.167 ( 0.000 7.449 0.000) 7.449 8.172 ( 0.000 -6.927 0.000) 6.927 8.245 ( 0.000 0.859 0.000) 0.859 8.259 ( 0.000 3.013 0.000) 3.013 8.302 ( 0.000 -4.197 0.000) 4.197 8.310 ( 0.000 -1.022 0.000) 1.022 8.376 ( 0.000 -12.153 0.000) 12.153 8.551 ( 0.000 2.647 0.000) 2.647 8.555 ( 0.000 2.211 0.000) 2.211 8.617 ( 0.000 0.340 0.000) 0.340 8.663 ( 0.000 -3.668 0.000) 3.668 8.670 ( 0.000 3.863 0.000) 3.863 8.713 ( 0.000 0.019 0.000) 0.019 8.814 ( 0.000 0.766 0.000) 0.766 8.816 ( 0.000 -0.113 0.000) 0.113 8.831 ( 0.000 5.070 0.000) 5.070 8.895 ( 0.000 -2.455 0.000) 2.455 8.993 ( 0.000 1.966 0.000) 1.966 9.012 ( 0.000 -0.122 0.000) 0.122 9.111 ( 0.000 0.643 0.000) 0.643 9.164 ( 0.000 -3.916 0.000) 3.916 9.215 ( 0.000 1.703 0.000) 1.703 9.227 ( 0.000 3.995 0.000) 3.995 9.254 ( 0.000 -2.501 0.000) 2.501 9.263 ( 0.000 1.138 0.000) 1.138 9.346 ( 0.000 0.249 0.000) 0.249 9.406 ( 0.000 -4.063 0.000) 4.063 9.525 ( 0.000 6.107 0.000) 6.107 9.583 ( 0.000 4.426 0.000) 4.426 9.598 ( 0.000 5.196 0.000) 5.196 9.639 ( 0.000 -4.790 0.000) 4.790 9.669 ( 0.000 1.758 0.000) 1.758 9.675 ( 0.000 -3.819 0.000) 3.819 9.686 ( 0.000 -2.855 0.000) 2.855 9.720 ( 0.000 -1.971 0.000) 1.971 9.813 ( 0.000 6.480 0.000) 6.480 9.834 ( 0.000 5.606 0.000) 5.606 9.861 ( 0.000 3.973 0.000) 3.973 9.907 ( 0.000 -0.432 0.000) 0.432 9.932 ( 0.000 -5.400 0.000) 5.400 9.941 ( 0.000 -5.227 0.000) 5.227 9.963 ( 0.000 3.321 0.000) 3.321 10.044 ( 0.000 -5.517 0.000) 5.517 10.207 ( 0.000 1.483 0.000) 1.483 10.241 ( 0.000 9.899 0.000) 9.899 10.264 ( 0.000 -5.082 0.000) 5.082 10.402 ( 0.000 -7.257 0.000) 7.257 10.456 ( 0.000 4.329 0.000) 4.329 10.473 ( 0.000 7.835 0.000) 7.835 10.543 ( 0.000 -4.907 0.000) 4.907 10.621 ( 0.000 -7.766 0.000) 7.766 10.716 ( 0.000 1.222 0.000) 1.222 10.742 ( 0.000 -1.643 0.000) 1.643 11.113 ( 0.000 9.656 0.000) 9.656 11.224 ( 0.000 9.096 0.000) 9.096 11.268 ( 0.000 -6.615 0.000) 6.615 11.305 ( 0.000 4.864 0.000) 4.864 11.373 ( 0.000 -6.646 0.000) 6.646 11.402 ( 0.000 -5.368 0.000) 5.368 13.988 ( 0.000 3.473 0.000) 3.473 14.013 ( 0.000 5.829 0.000) 5.829 14.039 ( 0.000 3.305 0.000) 3.305 14.063 ( 0.000 -4.272 0.000) 4.272 14.087 ( 0.000 -0.462 0.000) 0.462 14.098 ( 0.000 -2.811 0.000) 2.811 14.117 ( 0.000 -0.847 0.000) 0.847 14.131 ( 0.000 -3.533 0.000) 3.533 14.456 ( 0.000 1.767 0.000) 1.767 14.469 ( 0.000 1.018 0.000) 1.018 14.534 ( 0.000 3.445 0.000) 3.445 14.568 ( 0.000 1.694 0.000) 1.694 14.606 ( 0.000 -3.843 0.000) 3.843 14.649 ( 0.000 -6.132 0.000) 6.132 14.907 ( 0.000 4.970 0.000) 4.970 14.986 ( 0.000 -3.567 0.000) 3.567 15.223 ( 0.000 5.076 0.000) 5.076 15.329 ( 0.000 -5.951 0.000) 5.951 15.339 ( 0.000 4.971 0.000) 4.971 15.433 ( 0.000 -5.151 0.000) 5.151 15.654 ( 0.000 1.764 0.000) 1.764 15.672 ( 0.000 -0.297 0.000) 0.297 15.794 ( 0.000 4.214 0.000) 4.214 15.868 ( 0.000 -3.749 0.000) 3.749 16.126 ( 0.000 2.481 0.000) 2.481 16.166 ( 0.000 -1.819 0.000) 1.819 16.212 ( 0.000 1.646 0.000) 1.646 16.255 ( 0.000 -2.862 0.000) 2.862 16.290 ( 0.000 0.568 0.000) 0.568 16.310 ( 0.000 -1.547 0.000) 1.547 16.410 ( 0.000 0.488 0.000) 0.488 16.423 ( 0.000 -0.871 0.000) 0.871 ======================= Grid point 11 (8/27) ======================= q-point: ( 0.20 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( 13.878 24.404 0.000) 28.074 1.327 ( 16.504 24.227 0.000) 29.314 1.683 ( 9.184 -21.823 0.000) 23.677 1.764 ( 10.874 -21.834 0.000) 24.392 2.057 ( 15.586 37.566 0.000) 40.671 2.280 ( -10.258 8.418 0.000) 13.270 2.366 ( -15.678 4.912 0.000) 16.430 2.431 ( -5.589 -4.164 0.000) 6.969 2.468 ( -9.929 -5.130 0.000) 11.176 2.524 ( -3.310 4.030 0.000) 5.215 2.583 ( -3.754 -5.746 0.000) 6.863 2.586 ( -2.994 -0.952 0.000) 3.142 2.596 ( -3.199 -1.835 0.000) 3.688 2.672 ( -2.076 -2.469 0.000) 3.226 2.714 ( -3.531 0.540 0.000) 3.572 2.721 ( -0.951 -0.220 0.000) 0.976 2.753 ( 3.027 -19.838 0.000) 20.067 2.761 ( -1.874 -5.933 0.000) 6.222 2.988 ( 1.113 3.812 0.000) 3.971 3.021 ( -0.381 -2.303 0.000) 2.335 3.057 ( 1.561 1.928 0.000) 2.481 3.057 ( 1.973 1.785 0.000) 2.661 3.105 ( 5.706 -2.976 0.000) 6.435 3.147 ( 3.523 -3.174 0.000) 4.742 3.328 ( 4.961 3.314 0.000) 5.966 3.378 ( 2.327 -2.557 0.000) 3.457 3.446 ( 0.036 3.370 0.000) 3.371 3.517 ( -2.377 -2.954 0.000) 3.792 3.568 ( -2.654 2.178 0.000) 3.433 3.617 ( -4.100 -2.095 0.000) 4.605 3.632 ( 1.668 2.543 0.000) 3.042 3.649 ( -1.070 1.037 0.000) 1.490 3.701 ( 4.221 2.259 0.000) 4.788 3.763 ( -0.494 6.431 0.000) 6.450 3.779 ( 3.801 -2.598 0.000) 4.604 3.809 ( -5.424 1.731 0.000) 5.693 3.835 ( 6.060 3.511 0.000) 7.004 3.929 ( 3.862 -5.327 0.000) 6.580 3.989 ( 6.046 3.193 0.000) 6.837 4.038 ( 3.210 -1.606 0.000) 3.589 4.089 ( 1.296 2.911 0.000) 3.186 4.090 ( 1.734 0.624 0.000) 1.842 4.101 ( 4.308 0.100 0.000) 4.309 4.130 ( -1.158 -1.871 0.000) 2.200 4.208 ( -1.118 2.843 0.000) 3.055 4.228 ( -3.286 1.415 0.000) 3.577 4.275 ( 1.209 -3.121 0.000) 3.347 4.296 ( -2.446 -2.784 0.000) 3.706 4.306 ( 0.178 4.629 0.000) 4.633 4.372 ( 1.293 -1.774 0.000) 2.195 4.431 ( -3.223 -1.630 0.000) 3.612 4.450 ( -1.223 -2.777 0.000) 3.034 4.539 ( 0.703 5.718 0.000) 5.762 4.572 ( -0.361 4.888 0.000) 4.902 4.589 ( 2.179 0.921 0.000) 2.366 4.620 ( 3.368 -0.675 0.000) 3.435 4.683 ( 2.224 -1.450 0.000) 2.655 4.692 ( 5.765 -2.239 0.000) 6.185 4.704 ( 6.424 -3.054 0.000) 7.113 4.710 ( 1.028 -3.061 0.000) 3.229 4.847 ( 1.804 1.035 0.000) 2.079 4.864 ( 2.576 1.162 0.000) 2.826 4.881 ( 4.266 -2.549 0.000) 4.970 4.891 ( -0.137 -1.355 0.000) 1.362 4.923 ( 5.011 2.823 0.000) 5.751 4.959 ( 3.457 2.307 0.000) 4.156 4.968 ( 3.195 -2.154 0.000) 3.853 5.013 ( 2.308 -1.327 0.000) 2.662 5.034 ( 1.049 7.209 0.000) 7.285 5.100 ( 3.393 6.582 0.000) 7.405 5.150 ( 1.885 2.377 0.000) 3.034 5.159 ( 0.632 -5.070 0.000) 5.109 5.169 ( 0.115 -0.154 0.000) 0.192 5.239 ( 1.777 5.270 0.000) 5.561 5.245 ( 2.436 -5.345 0.000) 5.874 5.360 ( -4.612 -3.366 0.000) 5.710 5.403 ( -3.333 6.130 0.000) 6.978 5.502 ( -1.669 10.754 0.000) 10.882 5.527 ( 0.990 -0.022 0.000) 0.990 5.546 ( -3.892 -5.821 0.000) 7.002 5.566 ( -2.541 2.010 0.000) 3.240 5.592 ( 1.744 5.159 0.000) 5.446 5.632 ( -10.286 2.946 0.000) 10.700 5.685 ( -4.238 -7.190 0.000) 8.346 5.738 ( -10.585 -3.287 0.000) 11.083 5.764 ( -5.596 0.197 0.000) 5.599 5.787 ( -0.461 -6.503 0.000) 6.519 5.812 ( -7.537 -5.896 0.000) 9.570 5.895 ( -0.024 5.846 0.000) 5.846 5.903 ( -1.188 -6.901 0.000) 7.003 5.945 ( -6.083 0.467 0.000) 6.101 5.962 ( -3.350 -7.307 0.000) 8.038 6.013 ( 1.762 -4.404 0.000) 4.743 6.050 ( -5.007 -8.630 0.000) 9.977 6.156 ( 3.210 3.663 0.000) 4.870 6.198 ( -0.107 2.348 0.000) 2.351 6.216 ( 3.475 -2.742 0.000) 4.427 6.224 ( -0.888 0.096 0.000) 0.893 6.274 ( 1.829 0.089 0.000) 1.831 6.304 ( 1.507 -2.915 0.000) 3.282 6.352 ( -8.020 1.620 0.000) 8.182 6.359 ( -7.641 5.039 0.000) 9.153 6.390 ( -4.880 -2.148 0.000) 5.332 6.445 ( -7.055 -0.277 0.000) 7.061 6.455 ( -2.601 0.470 0.000) 2.643 6.480 ( -5.058 -1.429 0.000) 5.256 6.488 ( -1.747 -2.402 0.000) 2.970 6.531 ( -5.642 -2.528 0.000) 6.183 6.600 ( 5.340 3.482 0.000) 6.375 6.679 ( -0.838 -4.916 0.000) 4.987 6.701 ( 0.179 0.496 0.000) 0.527 6.723 ( 0.647 3.746 0.000) 3.802 6.733 ( 2.580 -1.277 0.000) 2.879 6.813 ( 0.361 -4.682 0.000) 4.696 6.947 ( -1.364 5.516 0.000) 5.683 6.975 ( 4.313 2.733 0.000) 5.106 6.979 ( 2.362 2.901 0.000) 3.741 7.007 ( 3.842 0.125 0.000) 3.844 7.046 ( 1.800 7.368 0.000) 7.585 7.132 ( 2.548 1.125 0.000) 2.786 7.140 ( 5.665 0.818 0.000) 5.724 7.168 ( 6.494 -1.343 0.000) 6.631 7.193 ( -4.169 1.165 0.000) 4.328 7.223 ( 0.289 -1.727 0.000) 1.751 7.298 ( -2.336 8.631 0.000) 8.941 7.342 ( 1.310 4.604 0.000) 4.787 7.361 ( 0.313 1.407 0.000) 1.442 7.435 ( 2.436 -2.255 0.000) 3.319 7.439 ( -2.018 2.279 0.000) 3.044 7.474 ( -2.330 -2.154 0.000) 3.173 7.548 ( 3.091 0.358 0.000) 3.111 7.551 ( -5.263 1.919 0.000) 5.602 7.584 ( 3.761 -2.100 0.000) 4.307 7.703 ( -2.882 -10.665 0.000) 11.047 7.713 ( 2.184 -0.448 0.000) 2.229 7.715 ( -3.388 1.435 0.000) 3.679 7.740 ( -1.262 -2.763 0.000) 3.038 7.748 ( 1.441 -2.771 0.000) 3.124 7.839 ( -1.348 -0.107 0.000) 1.352 7.857 ( -1.961 -2.382 0.000) 3.086 7.858 ( 1.181 2.307 0.000) 2.591 7.884 ( 1.222 0.331 0.000) 1.266 7.954 ( -0.071 2.301 0.000) 2.302 7.980 ( 3.542 -1.821 0.000) 3.983 7.997 ( -0.913 0.616 0.000) 1.101 8.013 ( 3.368 -3.285 0.000) 4.705 8.038 ( -0.657 2.280 0.000) 2.373 8.073 ( 0.486 0.378 0.000) 0.616 8.142 ( -1.980 -5.902 0.000) 6.226 8.157 ( 1.237 -4.975 0.000) 5.127 8.162 ( -0.097 3.286 0.000) 3.287 8.254 ( -2.426 -2.779 0.000) 3.689 8.312 ( 4.926 0.066 0.000) 4.926 8.324 ( 2.669 1.180 0.000) 2.918 8.339 ( 3.754 -2.877 0.000) 4.730 8.382 ( 0.678 -6.016 0.000) 6.054 8.559 ( 0.545 2.575 0.000) 2.632 8.583 ( -0.117 -0.575 0.000) 0.587 8.645 ( 5.018 4.689 0.000) 6.868 8.666 ( 0.238 6.080 0.000) 6.085 8.732 ( 3.858 -3.968 0.000) 5.534 8.744 ( 1.832 -0.319 0.000) 1.859 8.800 ( -2.510 2.825 0.000) 3.779 8.843 ( 3.658 1.120 0.000) 3.825 8.858 ( -3.715 -2.666 0.000) 4.572 8.868 ( 5.853 -1.645 0.000) 6.080 8.984 ( -0.455 2.678 0.000) 2.716 9.020 ( 1.279 -0.849 0.000) 1.535 9.092 ( -2.677 1.439 0.000) 3.039 9.152 ( -2.423 -3.646 0.000) 4.378 9.196 ( -2.644 2.903 0.000) 3.927 9.220 ( 0.305 1.547 0.000) 1.577 9.237 ( -2.263 1.937 0.000) 2.979 9.250 ( -0.662 -1.455 0.000) 1.598 9.263 ( -6.526 -1.135 0.000) 6.623 9.306 ( -6.070 -1.726 0.000) 6.311 9.481 ( -6.703 5.200 0.000) 8.484 9.541 ( -4.514 1.106 0.000) 4.647 9.556 ( -3.241 -0.656 0.000) 3.306 9.568 ( -5.994 -4.070 0.000) 7.245 9.647 ( 6.149 4.849 0.000) 7.830 9.723 ( 5.149 -3.268 0.000) 6.099 9.737 ( 3.391 5.737 0.000) 6.664 9.831 ( 5.172 -3.160 0.000) 6.061 9.837 ( 2.895 2.830 0.000) 4.048 9.849 ( 1.556 4.499 0.000) 4.760 9.917 ( -0.286 -3.359 0.000) 3.371 9.925 ( 2.392 3.002 0.000) 3.838 9.936 ( 0.644 -3.875 0.000) 3.928 9.974 ( 4.992 -0.789 0.000) 5.054 9.979 ( 0.189 2.095 0.000) 2.104 10.041 ( -1.084 -3.998 0.000) 4.143 10.219 ( 1.122 1.216 0.000) 1.654 10.244 ( 0.596 6.455 0.000) 6.482 10.265 ( 0.374 -4.088 0.000) 4.105 10.335 ( -3.285 -2.361 0.000) 4.046 10.497 ( 2.544 6.811 0.000) 7.271 10.545 ( 4.506 1.440 0.000) 4.730 10.610 ( 5.805 -4.602 0.000) 7.408 10.628 ( 0.860 -6.464 0.000) 6.521 10.728 ( 1.581 1.440 0.000) 2.138 10.772 ( 2.903 -2.891 0.000) 4.097 11.020 ( -7.951 9.387 0.000) 12.302 11.160 ( -8.393 -4.796 0.000) 9.666 11.232 ( 0.866 8.887 0.000) 8.929 11.326 ( -0.023 3.753 0.000) 3.753 11.380 ( 0.697 -6.684 0.000) 6.721 11.423 ( 0.915 -5.771 0.000) 5.843 13.995 ( 0.613 3.498 0.000) 3.551 14.023 ( 0.339 4.908 0.000) 4.920 14.059 ( 1.386 0.277 0.000) 1.414 14.078 ( 2.132 -1.015 0.000) 2.361 14.087 ( -0.124 -1.965 0.000) 1.969 14.128 ( 3.258 -2.882 0.000) 4.350 14.161 ( 4.976 1.753 0.000) 5.276 14.228 ( 8.043 -4.835 0.000) 9.384 14.403 ( -3.573 4.756 0.000) 5.948 14.474 ( -1.650 -2.708 0.000) 3.171 14.513 ( -2.126 4.318 0.000) 4.813 14.580 ( 2.034 2.591 0.000) 3.294 14.603 ( -0.608 -4.972 0.000) 5.009 14.668 ( 2.182 -6.158 0.000) 6.533 14.852 ( -5.073 5.654 0.000) 7.597 14.959 ( -3.226 -5.557 0.000) 6.425 15.219 ( -0.450 5.335 0.000) 5.354 15.309 ( -2.581 3.429 0.000) 4.292 15.310 ( -1.863 -4.093 0.000) 4.497 15.349 ( -6.781 -0.268 0.000) 6.787 15.636 ( -0.114 4.434 0.000) 4.435 15.717 ( 3.144 -3.942 0.000) 5.042 15.759 ( -2.613 5.733 0.000) 6.300 15.873 ( -0.496 -6.610 0.000) 6.629 16.149 ( 1.906 1.174 0.000) 2.238 16.176 ( 1.024 -1.533 0.000) 1.843 16.213 ( -0.047 1.144 0.000) 1.145 16.243 ( -0.747 -1.791 0.000) 1.940 16.303 ( 0.817 -0.508 0.000) 0.963 16.310 ( 0.281 -0.822 0.000) 0.869 16.390 ( -2.002 0.556 0.000) 2.077 16.403 ( -1.812 -0.950 0.000) 2.046 ======================= Grid point 12 (9/27) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( 20.021 18.542 0.000) 27.288 1.662 ( 17.876 19.019 0.000) 26.101 1.893 ( 8.131 -7.907 0.000) 11.341 1.936 ( -8.246 5.855 0.000) 10.113 2.042 ( 1.181 -10.760 0.000) 10.824 2.050 ( -12.458 1.737 0.000) 12.578 2.199 ( -10.520 -10.784 0.000) 15.065 2.249 ( -12.079 -12.851 0.000) 17.637 2.446 ( 4.076 5.237 0.000) 6.636 2.508 ( -4.284 0.532 0.000) 4.316 2.510 ( 8.917 6.656 0.000) 11.127 2.552 ( -1.515 -4.201 0.000) 4.466 2.580 ( 7.429 4.419 0.000) 8.644 2.665 ( 1.765 3.073 0.000) 3.544 2.675 ( -1.277 1.672 0.000) 2.104 2.705 ( -0.544 -1.511 0.000) 1.606 2.714 ( -1.215 -3.076 0.000) 3.308 2.878 ( 7.625 -13.925 0.000) 15.876 2.924 ( -13.327 5.434 0.000) 14.392 2.988 ( -2.870 -1.682 0.000) 3.326 3.057 ( 2.198 5.814 0.000) 6.215 3.090 ( -0.324 4.645 0.000) 4.656 3.180 ( 1.872 -4.061 0.000) 4.472 3.186 ( 0.781 -4.606 0.000) 4.672 3.404 ( 2.777 1.165 0.000) 3.012 3.411 ( 1.344 -0.883 0.000) 1.608 3.433 ( -1.147 1.895 0.000) 2.215 3.457 ( -3.684 0.577 0.000) 3.729 3.518 ( -1.561 -0.385 0.000) 1.608 3.537 ( -5.544 2.376 0.000) 6.031 3.560 ( -0.717 -3.801 0.000) 3.868 3.588 ( -3.084 -1.726 0.000) 3.535 3.788 ( 4.265 3.403 0.000) 5.456 3.803 ( 2.967 4.688 0.000) 5.548 3.869 ( 4.095 -3.078 0.000) 5.123 3.870 ( 4.383 -0.762 0.000) 4.449 3.936 ( 1.402 5.588 0.000) 5.761 3.973 ( -5.337 6.647 0.000) 8.525 3.982 ( 3.391 0.827 0.000) 3.491 4.066 ( 0.310 5.918 0.000) 5.926 4.088 ( -0.156 -2.255 0.000) 2.260 4.108 ( -2.128 -0.570 0.000) 2.203 4.125 ( -0.663 -3.437 0.000) 3.501 4.133 ( 0.259 -5.431 0.000) 5.437 4.237 ( 1.597 -0.619 0.000) 1.712 4.246 ( 4.513 5.609 0.000) 7.199 4.288 ( 0.643 2.023 0.000) 2.122 4.294 ( 3.787 -3.362 0.000) 5.064 4.337 ( 1.418 -0.326 0.000) 1.455 4.389 ( -4.141 0.604 0.000) 4.185 4.400 ( 1.433 -4.941 0.000) 5.144 4.420 ( -0.604 -3.183 0.000) 3.240 4.587 ( 4.322 3.238 0.000) 5.400 4.603 ( 3.311 4.351 0.000) 5.468 4.629 ( 1.740 -1.287 0.000) 2.164 4.668 ( -0.531 -2.281 0.000) 2.341 4.710 ( 0.553 2.693 0.000) 2.749 4.745 ( 0.734 2.750 0.000) 2.846 4.767 ( 2.279 -3.013 0.000) 3.778 4.788 ( 0.559 -0.956 0.000) 1.107 4.864 ( 2.683 1.845 0.000) 3.256 4.895 ( 0.516 -1.449 0.000) 1.538 4.900 ( -0.402 -0.797 0.000) 0.893 4.914 ( 1.652 -1.967 0.000) 2.569 4.998 ( 1.126 4.353 0.000) 4.496 5.038 ( -0.726 3.877 0.000) 3.944 5.047 ( 1.876 0.249 0.000) 1.892 5.073 ( 6.269 1.423 0.000) 6.429 5.111 ( 4.236 -0.909 0.000) 4.332 5.132 ( 4.056 -1.688 0.000) 4.394 5.196 ( 1.090 3.524 0.000) 3.688 5.207 ( 7.957 5.593 0.000) 9.726 5.212 ( 1.575 2.779 0.000) 3.194 5.258 ( -0.492 0.526 0.000) 0.720 5.291 ( 1.459 -2.413 0.000) 2.820 5.303 ( -0.089 3.022 0.000) 3.024 5.339 ( -0.433 -1.761 0.000) 1.814 5.426 ( -6.943 -4.061 0.000) 8.044 5.442 ( -11.918 1.124 0.000) 11.971 5.450 ( -9.062 3.717 0.000) 9.795 5.503 ( 0.804 6.100 0.000) 6.153 5.526 ( -3.446 -2.394 0.000) 4.196 5.579 ( 1.891 -2.179 0.000) 2.885 5.590 ( -1.053 2.237 0.000) 2.472 5.639 ( -4.870 -0.328 0.000) 4.881 5.650 ( -0.507 -5.967 0.000) 5.988 5.735 ( -3.319 -4.873 0.000) 5.896 5.748 ( -1.308 -7.833 0.000) 7.941 5.818 ( -3.962 1.898 0.000) 4.394 5.843 ( -4.518 -2.801 0.000) 5.316 5.884 ( -2.749 -6.667 0.000) 7.211 5.900 ( -3.089 -5.002 0.000) 5.879 5.987 ( 3.761 4.147 0.000) 5.598 6.087 ( 5.680 -4.410 0.000) 7.191 6.136 ( -8.998 6.416 0.000) 11.051 6.205 ( -5.384 0.182 0.000) 5.388 6.231 ( 1.489 2.088 0.000) 2.565 6.238 ( 3.590 2.351 0.000) 4.291 6.258 ( 1.565 -0.456 0.000) 1.630 6.259 ( -1.104 0.423 0.000) 1.182 6.289 ( -1.761 1.413 0.000) 2.258 6.298 ( -3.172 -3.465 0.000) 4.697 6.307 ( -0.036 -0.801 0.000) 0.802 6.334 ( -3.275 -2.637 0.000) 4.205 6.376 ( -3.820 -0.932 0.000) 3.932 6.391 ( -4.213 -0.320 0.000) 4.225 6.440 ( -1.321 -6.412 0.000) 6.547 6.452 ( -2.448 -6.053 0.000) 6.529 6.685 ( 2.087 -1.067 0.000) 2.344 6.695 ( 2.304 -1.874 0.000) 2.969 6.697 ( -0.167 0.251 0.000) 0.301 6.742 ( -1.294 -3.960 0.000) 4.166 6.786 ( 6.111 2.308 0.000) 6.532 6.826 ( 1.865 -1.493 0.000) 2.389 6.872 ( -4.917 5.782 0.000) 7.590 6.943 ( -7.738 -1.042 0.000) 7.807 7.066 ( 4.026 3.673 0.000) 5.449 7.071 ( 3.558 10.794 0.000) 11.366 7.104 ( 5.537 -0.163 0.000) 5.539 7.183 ( 0.714 0.503 0.000) 0.873 7.193 ( -2.558 1.017 0.000) 2.752 7.217 ( -1.156 4.675 0.000) 4.816 7.228 ( 4.880 -0.852 0.000) 4.953 7.269 ( 2.115 1.166 0.000) 2.415 7.304 ( 5.615 4.933 0.000) 7.474 7.341 ( -0.804 5.828 0.000) 5.884 7.350 ( -1.445 1.016 0.000) 1.767 7.426 ( -5.280 -2.065 0.000) 5.669 7.427 ( 2.072 2.623 0.000) 3.343 7.482 ( -1.756 5.469 0.000) 5.744 7.500 ( 4.932 -3.149 0.000) 5.851 7.598 ( 2.299 -0.282 0.000) 2.316 7.610 ( -5.743 -3.814 0.000) 6.894 7.641 ( -3.087 -0.409 0.000) 3.114 7.662 ( 4.110 -3.703 0.000) 5.532 7.737 ( -2.419 -7.864 0.000) 8.228 7.771 ( 1.423 -0.771 0.000) 1.618 7.776 ( -1.988 1.348 0.000) 2.402 7.777 ( 2.874 -3.524 0.000) 4.547 7.827 ( -1.435 -5.348 0.000) 5.537 7.882 ( 2.959 4.073 0.000) 5.034 7.910 ( 1.316 1.913 0.000) 2.322 7.946 ( -2.055 4.111 0.000) 4.596 7.961 ( -3.561 3.622 0.000) 5.079 8.020 ( 0.089 -3.628 0.000) 3.629 8.021 ( 0.729 -1.342 0.000) 1.527 8.078 ( 0.422 -6.222 0.000) 6.236 8.079 ( 2.048 -5.947 0.000) 6.290 8.136 ( 1.540 -0.147 0.000) 1.547 8.170 ( 0.286 -1.957 0.000) 1.978 8.183 ( 0.504 -4.121 0.000) 4.152 8.189 ( -3.120 -3.154 0.000) 4.437 8.366 ( 1.441 1.806 0.000) 2.311 8.378 ( 0.938 1.175 0.000) 1.503 8.406 ( 1.345 -2.981 0.000) 3.270 8.406 ( 2.052 -2.177 0.000) 2.992 8.586 ( 3.278 2.325 0.000) 4.019 8.628 ( 5.833 -1.181 0.000) 5.951 8.682 ( -1.827 6.936 0.000) 7.172 8.693 ( -2.667 6.134 0.000) 6.689 8.713 ( 0.680 5.251 0.000) 5.295 8.760 ( -5.919 -2.708 0.000) 6.509 8.790 ( 3.864 -1.495 0.000) 4.143 8.815 ( 1.678 -5.008 0.000) 5.281 8.920 ( 0.469 1.434 0.000) 1.509 8.941 ( 4.713 0.063 0.000) 4.714 8.988 ( -7.232 3.209 0.000) 7.912 9.049 ( 5.950 0.278 0.000) 5.956 9.051 ( -6.391 -3.405 0.000) 7.242 9.079 ( 4.981 -2.145 0.000) 5.423 9.134 ( -3.712 1.756 0.000) 4.106 9.169 ( -4.117 -2.010 0.000) 4.582 9.208 ( -0.471 2.490 0.000) 2.534 9.214 ( -0.819 1.522 0.000) 1.728 9.233 ( -0.588 -0.200 0.000) 0.622 9.240 ( -1.312 -1.246 0.000) 1.810 9.406 ( -1.009 4.334 0.000) 4.449 9.440 ( -4.251 3.764 0.000) 5.678 9.499 ( -0.953 -5.228 0.000) 5.314 9.515 ( -1.879 -4.086 0.000) 4.497 9.758 ( 4.330 5.142 0.000) 6.722 9.785 ( 1.233 6.828 0.000) 6.938 9.823 ( 4.860 -1.902 0.000) 5.219 9.882 ( 0.475 -0.977 0.000) 1.086 9.887 ( 2.353 1.939 0.000) 3.049 9.888 ( 1.038 -0.054 0.000) 1.039 9.919 ( -1.018 0.057 0.000) 1.020 9.926 ( -0.098 -1.982 0.000) 1.984 9.958 ( 0.249 2.197 0.000) 2.211 9.966 ( -1.165 2.079 0.000) 2.383 10.016 ( 0.160 -2.757 0.000) 2.762 10.033 ( 0.342 -3.311 0.000) 3.328 10.246 ( 1.602 1.668 0.000) 2.313 10.259 ( 0.520 1.885 0.000) 1.955 10.276 ( 0.418 -1.672 0.000) 1.723 10.290 ( -1.527 -1.153 0.000) 1.914 10.556 ( 3.050 5.530 0.000) 6.315 10.591 ( 0.008 4.671 0.000) 4.671 10.667 ( 3.065 -5.077 0.000) 5.931 10.690 ( 1.637 -4.976 0.000) 5.238 10.776 ( 3.458 2.657 0.000) 4.361 10.850 ( 5.517 -4.571 0.000) 7.165 10.871 ( -6.785 6.523 0.000) 9.412 10.989 ( -8.920 -5.361 0.000) 10.407 11.258 ( 1.919 7.981 0.000) 8.209 11.300 ( -2.225 6.016 0.000) 6.414 11.398 ( 1.205 -6.652 0.000) 6.760 11.421 ( -0.957 -6.312 0.000) 6.384 14.007 ( 0.698 3.611 0.000) 3.678 14.020 ( -0.516 3.895 0.000) 3.929 14.075 ( 0.585 -3.128 0.000) 3.182 14.083 ( -0.317 -2.820 0.000) 2.838 14.151 ( 4.968 3.282 0.000) 5.954 14.215 ( 5.432 -3.071 0.000) 6.241 14.231 ( -1.060 4.065 0.000) 4.201 14.297 ( -2.040 -1.800 0.000) 2.721 14.396 ( 1.954 2.438 0.000) 3.125 14.457 ( -3.660 5.205 0.000) 6.364 14.466 ( 4.985 -4.002 0.000) 6.393 14.568 ( -3.621 -6.139 0.000) 7.127 14.642 ( 4.163 2.732 0.000) 4.979 14.740 ( -6.107 5.346 0.000) 8.116 14.740 ( 5.578 -6.735 0.000) 8.745 14.863 ( -6.522 -7.270 0.000) 9.767 15.213 ( 0.199 5.177 0.000) 5.181 15.244 ( -3.559 3.846 0.000) 5.240 15.269 ( -1.147 1.011 0.000) 1.528 15.273 ( -1.473 -1.032 0.000) 1.799 15.657 ( 2.101 5.657 0.000) 6.035 15.706 ( -2.866 6.030 0.000) 6.676 15.781 ( 3.469 -6.957 0.000) 7.774 15.842 ( -2.673 -7.900 0.000) 8.340 16.182 ( 1.484 0.501 0.000) 1.566 16.203 ( 1.675 -1.573 0.000) 2.298 16.204 ( -0.875 0.651 0.000) 1.091 16.230 ( -0.980 -1.741 0.000) 1.998 16.315 ( 1.049 0.515 0.000) 1.168 16.330 ( 1.453 -1.021 0.000) 1.776 16.347 ( -2.201 0.743 0.000) 2.323 16.364 ( -2.094 -1.069 0.000) 2.351 ======================= Grid point 25 (10/27) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 27 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.555 ( 0.000 0.000 29.355) 29.355 0.572 ( 0.000 0.000 30.153) 30.153 0.946 ( 0.000 0.000 49.454) 49.454 1.974 ( 0.000 0.000 -14.565) 14.565 2.021 ( 0.000 0.000 -20.797) 20.797 2.342 ( 0.000 0.000 5.365) 5.365 2.372 ( 0.000 0.000 4.333) 4.333 2.508 ( 0.000 0.000 0.388) 0.388 2.509 ( 0.000 0.000 3.606) 3.606 2.561 ( 0.000 0.000 -0.407) 0.407 2.601 ( 0.000 0.000 -2.267) 2.267 2.606 ( 0.000 0.000 0.006) 0.006 2.704 ( 0.000 0.000 1.112) 1.112 2.715 ( 0.000 0.000 3.569) 3.569 2.793 ( 0.000 0.000 3.176) 3.176 2.818 ( 0.000 0.000 -4.785) 4.785 2.838 ( 0.000 0.000 2.693) 2.693 2.870 ( 0.000 0.000 3.932) 3.932 2.925 ( 0.000 0.000 -8.962) 8.962 3.030 ( 0.000 0.000 -4.567) 4.567 3.083 ( 0.000 0.000 0.304) 0.304 3.104 ( 0.000 0.000 -2.070) 2.070 3.132 ( 0.000 0.000 1.251) 1.251 3.192 ( 0.000 0.000 3.876) 3.876 3.301 ( 0.000 0.000 -0.929) 0.929 3.451 ( 0.000 0.000 -1.369) 1.369 3.463 ( 0.000 0.000 -1.971) 1.971 3.489 ( 0.000 0.000 1.560) 1.560 3.526 ( 0.000 0.000 -4.224) 4.224 3.546 ( 0.000 0.000 -6.252) 6.252 3.584 ( 0.000 0.000 -0.127) 0.127 3.615 ( 0.000 0.000 2.371) 2.371 3.623 ( 0.000 0.000 -0.009) 0.009 3.701 ( 0.000 0.000 2.184) 2.184 3.726 ( 0.000 0.000 1.732) 1.732 3.731 ( 0.000 0.000 8.546) 8.546 3.847 ( 0.000 0.000 -3.754) 3.754 3.867 ( 0.000 0.000 0.272) 0.272 3.979 ( 0.000 0.000 -1.576) 1.576 4.017 ( 0.000 0.000 3.848) 3.848 4.035 ( 0.000 0.000 -5.479) 5.479 4.091 ( 0.000 0.000 2.422) 2.422 4.123 ( 0.000 0.000 -8.423) 8.423 4.153 ( 0.000 0.000 -3.914) 3.914 4.169 ( 0.000 0.000 5.353) 5.353 4.258 ( 0.000 0.000 2.923) 2.923 4.264 ( 0.000 0.000 7.731) 7.731 4.267 ( 0.000 0.000 2.303) 2.303 4.297 ( 0.000 0.000 3.661) 3.661 4.324 ( 0.000 0.000 -1.350) 1.350 4.372 ( 0.000 0.000 2.453) 2.453 4.482 ( 0.000 0.000 0.881) 0.881 4.507 ( 0.000 0.000 1.878) 1.878 4.518 ( 0.000 0.000 -4.447) 4.447 4.589 ( 0.000 0.000 -6.186) 6.186 4.651 ( 0.000 0.000 0.420) 0.420 4.666 ( 0.000 0.000 0.247) 0.247 4.685 ( 0.000 0.000 -0.999) 0.999 4.723 ( 0.000 0.000 2.318) 2.318 4.737 ( 0.000 0.000 0.500) 0.500 4.742 ( 0.000 0.000 -1.778) 1.778 4.793 ( 0.000 0.000 -0.680) 0.680 4.810 ( 0.000 0.000 4.717) 4.717 4.893 ( 0.000 0.000 0.769) 0.769 4.935 ( 0.000 0.000 -1.378) 1.378 4.948 ( 0.000 0.000 2.392) 2.392 4.958 ( 0.000 0.000 2.032) 2.032 4.997 ( 0.000 0.000 -4.794) 4.794 5.002 ( 0.000 0.000 1.500) 1.500 5.088 ( 0.000 0.000 3.053) 3.053 5.103 ( 0.000 0.000 0.914) 0.914 5.111 ( 0.000 0.000 -2.221) 2.221 5.134 ( 0.000 0.000 0.028) 0.028 5.274 ( 0.000 0.000 3.775) 3.775 5.297 ( 0.000 0.000 3.758) 3.758 5.311 ( 0.000 0.000 0.856) 0.856 5.370 ( 0.000 0.000 -2.725) 2.725 5.437 ( 0.000 0.000 5.708) 5.708 5.505 ( 0.000 0.000 0.258) 0.258 5.514 ( 0.000 0.000 -0.538) 0.538 5.625 ( 0.000 0.000 -1.147) 1.147 5.653 ( 0.000 0.000 -0.119) 0.119 5.730 ( 0.000 0.000 -0.368) 0.368 5.732 ( 0.000 0.000 -8.945) 8.945 5.749 ( 0.000 0.000 1.746) 1.746 5.824 ( 0.000 0.000 -2.280) 2.280 5.837 ( 0.000 0.000 -10.140) 10.140 5.893 ( 0.000 0.000 -3.545) 3.545 5.901 ( 0.000 0.000 5.062) 5.062 6.048 ( 0.000 0.000 2.112) 2.112 6.055 ( 0.000 0.000 -3.975) 3.975 6.086 ( 0.000 0.000 4.277) 4.277 6.118 ( 0.000 0.000 -3.809) 3.809 6.139 ( 0.000 0.000 -3.415) 3.415 6.179 ( 0.000 0.000 -2.995) 2.995 6.218 ( 0.000 0.000 8.708) 8.708 6.228 ( 0.000 0.000 -4.026) 4.026 6.294 ( 0.000 0.000 -3.932) 3.932 6.298 ( 0.000 0.000 -0.302) 0.302 6.354 ( 0.000 0.000 -2.416) 2.416 6.393 ( 0.000 0.000 -9.043) 9.043 6.454 ( 0.000 0.000 1.764) 1.764 6.459 ( 0.000 0.000 -0.394) 0.394 6.490 ( 0.000 0.000 -2.201) 2.201 6.497 ( 0.000 0.000 0.017) 0.017 6.533 ( 0.000 0.000 -2.350) 2.350 6.548 ( 0.000 0.000 1.315) 1.315 6.552 ( 0.000 0.000 -4.977) 4.977 6.562 ( 0.000 0.000 3.697) 3.697 6.634 ( 0.000 0.000 0.733) 0.733 6.705 ( 0.000 0.000 7.151) 7.151 6.716 ( 0.000 0.000 4.372) 4.372 6.727 ( 0.000 0.000 -0.126) 0.126 6.761 ( 0.000 0.000 9.044) 9.044 6.914 ( 0.000 0.000 5.555) 5.555 6.960 ( 0.000 0.000 -3.069) 3.069 6.987 ( 0.000 0.000 -0.462) 0.462 6.995 ( 0.000 0.000 -5.215) 5.215 7.004 ( 0.000 0.000 -2.929) 2.929 7.035 ( 0.000 0.000 1.239) 1.239 7.144 ( 0.000 0.000 0.833) 0.833 7.159 ( 0.000 0.000 1.843) 1.843 7.176 ( 0.000 0.000 1.640) 1.640 7.182 ( 0.000 0.000 1.481) 1.481 7.228 ( 0.000 0.000 4.536) 4.536 7.298 ( 0.000 0.000 4.223) 4.223 7.299 ( 0.000 0.000 3.388) 3.388 7.369 ( 0.000 0.000 -1.723) 1.723 7.416 ( 0.000 0.000 4.924) 4.924 7.450 ( 0.000 0.000 -0.580) 0.580 7.462 ( 0.000 0.000 -2.864) 2.864 7.481 ( 0.000 0.000 -5.854) 5.854 7.598 ( 0.000 0.000 -7.947) 7.947 7.630 ( 0.000 0.000 -0.113) 0.113 7.651 ( 0.000 0.000 -3.434) 3.434 7.688 ( 0.000 0.000 -1.325) 1.325 7.759 ( 0.000 0.000 1.200) 1.200 7.764 ( 0.000 0.000 -6.292) 6.292 7.837 ( 0.000 0.000 1.251) 1.251 7.842 ( 0.000 0.000 1.198) 1.198 7.864 ( 0.000 0.000 -6.055) 6.055 7.874 ( 0.000 0.000 -0.451) 0.451 7.999 ( 0.000 0.000 -4.801) 4.801 8.054 ( 0.000 0.000 -4.155) 4.155 8.057 ( 0.000 0.000 2.304) 2.304 8.063 ( 0.000 0.000 1.992) 1.992 8.151 ( 0.000 0.000 1.155) 1.155 8.155 ( 0.000 0.000 2.314) 2.314 8.162 ( 0.000 0.000 4.419) 4.419 8.268 ( 0.000 0.000 0.116) 0.116 8.273 ( 0.000 0.000 2.167) 2.167 8.298 ( 0.000 0.000 -1.312) 1.312 8.307 ( 0.000 0.000 -1.907) 1.907 8.340 ( 0.000 0.000 -0.682) 0.682 8.348 ( 0.000 0.000 -1.422) 1.422 8.353 ( 0.000 0.000 -0.016) 0.016 8.535 ( 0.000 0.000 0.345) 0.345 8.544 ( 0.000 0.000 -3.061) 3.061 8.572 ( 0.000 0.000 -8.111) 8.111 8.586 ( 0.000 0.000 -0.316) 0.316 8.690 ( 0.000 0.000 3.370) 3.370 8.747 ( 0.000 0.000 -0.332) 0.332 8.777 ( 0.000 0.000 1.516) 1.516 8.802 ( 0.000 0.000 -3.578) 3.578 8.866 ( 0.000 0.000 3.374) 3.374 8.916 ( 0.000 0.000 0.465) 0.465 8.953 ( 0.000 0.000 1.394) 1.394 9.034 ( 0.000 0.000 4.072) 4.072 9.042 ( 0.000 0.000 2.867) 2.867 9.169 ( 0.000 0.000 -1.135) 1.135 9.198 ( 0.000 0.000 1.035) 1.035 9.246 ( 0.000 0.000 0.223) 0.223 9.290 ( 0.000 0.000 7.475) 7.475 9.323 ( 0.000 0.000 0.512) 0.512 9.344 ( 0.000 0.000 -0.637) 0.637 9.379 ( 0.000 0.000 3.390) 3.390 9.416 ( 0.000 0.000 -0.200) 0.200 9.505 ( 0.000 0.000 -1.449) 1.449 9.548 ( 0.000 0.000 5.896) 5.896 9.572 ( 0.000 0.000 -0.592) 0.592 9.599 ( 0.000 0.000 -0.350) 0.350 9.704 ( 0.000 0.000 -2.932) 2.932 9.713 ( 0.000 0.000 2.817) 2.817 9.738 ( 0.000 0.000 -1.939) 1.939 9.753 ( 0.000 0.000 0.635) 0.635 9.791 ( 0.000 0.000 2.547) 2.547 9.844 ( 0.000 0.000 -2.946) 2.946 9.937 ( 0.000 0.000 -3.025) 3.025 9.943 ( 0.000 0.000 1.846) 1.846 9.992 ( 0.000 0.000 2.366) 2.366 10.131 ( 0.000 0.000 3.702) 3.702 10.153 ( 0.000 0.000 -4.899) 4.899 10.160 ( 0.000 0.000 -0.697) 0.697 10.189 ( 0.000 0.000 -5.199) 5.199 10.222 ( 0.000 0.000 -6.886) 6.886 10.239 ( 0.000 0.000 0.447) 0.447 10.538 ( 0.000 0.000 8.058) 8.058 10.561 ( 0.000 0.000 2.030) 2.030 10.587 ( 0.000 0.000 2.402) 2.402 10.696 ( 0.000 0.000 -3.904) 3.904 10.718 ( 0.000 0.000 0.285) 0.285 10.743 ( 0.000 0.000 3.749) 3.749 10.914 ( 0.000 0.000 4.544) 4.544 10.915 ( 0.000 0.000 -2.244) 2.244 11.200 ( 0.000 0.000 0.748) 0.748 11.400 ( 0.000 0.000 0.771) 0.771 11.463 ( 0.000 0.000 -3.349) 3.349 11.522 ( 0.000 0.000 -2.147) 2.147 13.879 ( 0.000 0.000 0.397) 0.397 13.942 ( 0.000 0.000 -0.956) 0.956 14.100 ( 0.000 0.000 1.740) 1.740 14.128 ( 0.000 0.000 0.083) 0.083 14.163 ( 0.000 0.000 0.722) 0.722 14.169 ( 0.000 0.000 1.517) 1.517 14.195 ( 0.000 0.000 0.321) 0.321 14.276 ( 0.000 0.000 -2.952) 2.952 14.315 ( 0.000 0.000 8.634) 8.634 14.409 ( 0.000 0.000 -1.778) 1.778 14.505 ( 0.000 0.000 -5.704) 5.704 14.535 ( 0.000 0.000 3.180) 3.180 14.710 ( 0.000 0.000 -0.745) 0.745 14.776 ( 0.000 0.000 0.360) 0.360 14.821 ( 0.000 0.000 0.031) 0.031 15.050 ( 0.000 0.000 -5.094) 5.094 15.138 ( 0.000 0.000 2.263) 2.263 15.169 ( 0.000 0.000 1.257) 1.257 15.506 ( 0.000 0.000 -3.574) 3.574 15.520 ( 0.000 0.000 -6.686) 6.686 15.589 ( 0.000 0.000 5.785) 5.785 15.658 ( 0.000 0.000 1.194) 1.194 15.699 ( 0.000 0.000 1.328) 1.328 15.892 ( 0.000 0.000 -4.876) 4.876 16.099 ( 0.000 0.000 3.968) 3.968 16.185 ( 0.000 0.000 -0.031) 0.031 16.205 ( 0.000 0.000 0.142) 0.142 16.215 ( 0.000 0.000 -0.505) 0.505 16.295 ( 0.000 0.000 0.549) 0.549 16.338 ( 0.000 0.000 0.436) 0.436 16.392 ( 0.000 0.000 -1.023) 1.023 16.422 ( 0.000 0.000 -1.948) 1.948 ======================= Grid point 26 (11/27) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( 22.152 0.000 20.862) 30.429 0.860 ( 22.184 0.000 21.477) 30.877 1.334 ( 36.598 0.000 30.802) 47.835 2.020 ( 0.797 0.000 -9.782) 9.815 2.055 ( 0.461 0.000 -14.683) 14.690 2.227 ( -10.150 0.000 -0.300) 10.155 2.294 ( -15.378 0.000 1.565) 15.457 2.363 ( 2.265 0.000 3.677) 4.318 2.492 ( -5.381 0.000 -4.266) 6.867 2.547 ( 3.972 0.000 1.651) 4.301 2.596 ( -1.702 0.000 -1.903) 2.553 2.601 ( 0.361 0.000 -1.021) 1.083 2.665 ( -3.168 0.000 3.516) 4.733 2.703 ( -1.173 0.000 2.018) 2.334 2.778 ( -2.276 0.000 -0.107) 2.279 2.825 ( 0.515 0.000 2.408) 2.463 2.854 ( 2.560 0.000 -4.362) 5.058 2.900 ( 1.683 0.000 -1.093) 2.007 2.967 ( 0.887 0.000 -8.161) 8.209 2.982 ( -8.919 0.000 -3.406) 9.547 3.040 ( 0.864 0.000 0.778) 1.163 3.108 ( -2.026 0.000 -0.660) 2.131 3.139 ( -1.065 0.000 1.177) 1.587 3.200 ( -6.793 0.000 -0.802) 6.840 3.316 ( 10.645 0.000 3.371) 11.166 3.461 ( -0.552 0.000 -1.866) 1.946 3.472 ( 0.276 0.000 0.886) 0.928 3.504 ( 1.989 0.000 0.537) 2.060 3.530 ( 1.683 0.000 1.887) 2.529 3.558 ( -1.346 0.000 0.849) 1.591 3.588 ( 0.364 0.000 3.795) 3.813 3.622 ( -3.565 0.000 -1.068) 3.722 3.629 ( 4.261 0.000 -4.995) 6.565 3.699 ( -1.531 0.000 5.251) 5.470 3.715 ( 2.743 0.000 3.462) 4.417 3.757 ( 3.196 0.000 1.483) 3.523 3.842 ( -2.528 0.000 -1.710) 3.052 3.876 ( 1.464 0.000 -2.376) 2.790 3.963 ( -0.389 0.000 0.826) 0.913 3.986 ( -3.794 0.000 -2.452) 4.517 4.097 ( 3.558 0.000 -3.356) 4.891 4.119 ( 3.258 0.000 -5.873) 6.716 4.129 ( 0.936 0.000 1.755) 1.988 4.173 ( 2.466 0.000 1.599) 2.939 4.189 ( 1.714 0.000 -0.049) 1.714 4.239 ( -1.319 0.000 3.691) 3.919 4.306 ( 0.397 0.000 3.973) 3.993 4.309 ( 4.216 0.000 6.961) 8.138 4.332 ( -1.741 0.000 1.089) 2.054 4.355 ( 5.671 0.000 3.894) 6.879 4.388 ( -3.060 0.000 2.202) 3.770 4.435 ( 10.246 0.000 -2.471) 10.540 4.450 ( 0.383 0.000 -0.856) 0.938 4.572 ( 3.162 0.000 -2.003) 3.743 4.585 ( -3.902 0.000 2.748) 4.773 4.593 ( -3.633 0.000 2.818) 4.597 4.681 ( 2.580 0.000 -1.910) 3.210 4.683 ( -0.620 0.000 -0.711) 0.944 4.775 ( 2.606 0.000 0.117) 2.608 4.788 ( 3.320 0.000 -1.353) 3.585 4.819 ( 3.236 0.000 0.373) 3.257 4.834 ( 4.441 0.000 1.531) 4.698 4.888 ( 7.104 0.000 -0.425) 7.116 4.901 ( 3.798 0.000 2.066) 4.323 4.931 ( -0.876 0.000 0.123) 0.884 4.937 ( -4.119 0.000 -0.234) 4.126 5.010 ( -0.055 0.000 2.415) 2.416 5.016 ( -0.031 0.000 2.373) 2.373 5.055 ( 7.668 0.000 -1.774) 7.871 5.064 ( -1.192 0.000 -3.115) 3.335 5.093 ( 6.572 0.000 0.209) 6.575 5.112 ( 1.439 0.000 -0.401) 1.494 5.155 ( -0.484 0.000 -3.655) 3.686 5.257 ( -5.223 0.000 -1.165) 5.352 5.262 ( -2.481 0.000 2.999) 3.892 5.287 ( -1.796 0.000 2.468) 3.052 5.362 ( 0.181 0.000 -1.581) 1.591 5.452 ( -0.096 0.000 2.205) 2.207 5.466 ( -3.984 0.000 -1.386) 4.218 5.509 ( -5.853 0.000 -1.466) 6.034 5.613 ( 0.497 0.000 -1.035) 1.148 5.650 ( -4.797 0.000 -3.218) 5.776 5.654 ( -2.101 0.000 -0.195) 2.110 5.688 ( -1.018 0.000 -3.968) 4.097 5.741 ( 0.443 0.000 1.490) 1.554 5.750 ( -0.907 0.000 1.963) 2.162 5.822 ( -6.074 0.000 -0.817) 6.129 5.828 ( -5.424 0.000 -1.237) 5.563 5.856 ( -2.849 0.000 0.119) 2.851 5.971 ( -5.529 0.000 -4.527) 7.146 6.011 ( -3.693 0.000 5.255) 6.422 6.087 ( -3.455 0.000 -1.430) 3.739 6.118 ( -7.672 0.000 -4.003) 8.654 6.119 ( -2.507 0.000 -3.503) 4.307 6.150 ( -4.183 0.000 -4.072) 5.837 6.201 ( 3.243 0.000 -1.174) 3.449 6.204 ( 2.049 0.000 3.274) 3.862 6.308 ( -1.592 0.000 5.595) 5.817 6.317 ( -4.968 0.000 -0.462) 4.990 6.321 ( -5.456 0.000 -7.356) 9.158 6.387 ( 1.462 0.000 0.341) 1.501 6.402 ( 1.631 0.000 -2.113) 2.669 6.441 ( 0.506 0.000 -0.446) 0.674 6.445 ( -2.255 0.000 -2.983) 3.740 6.470 ( -1.942 0.000 -1.630) 2.536 6.491 ( 1.497 0.000 2.085) 2.566 6.546 ( -1.175 0.000 3.250) 3.456 6.606 ( -0.295 0.000 1.013) 1.055 6.626 ( 0.611 0.000 -0.576) 0.840 6.645 ( 3.642 0.000 0.446) 3.669 6.699 ( -3.206 0.000 -1.883) 3.718 6.720 ( 0.005 0.000 3.139) 3.139 6.759 ( 2.164 0.000 0.157) 2.170 6.806 ( 5.310 0.000 0.134) 5.311 6.872 ( -7.034 0.000 -3.319) 7.778 6.901 ( -0.925 0.000 2.066) 2.264 6.939 ( -1.681 0.000 0.846) 1.882 6.998 ( -0.894 0.000 0.289) 0.939 7.009 ( 4.137 0.000 6.543) 7.741 7.032 ( 1.853 0.000 -2.001) 2.727 7.074 ( -5.836 0.000 3.151) 6.632 7.151 ( -2.291 0.000 2.140) 3.135 7.153 ( -0.488 0.000 0.814) 0.949 7.211 ( 0.098 0.000 -1.465) 1.468 7.237 ( -0.822 0.000 1.649) 1.842 7.284 ( -0.653 0.000 5.731) 5.768 7.301 ( 2.256 0.000 0.972) 2.456 7.427 ( 4.057 0.000 0.964) 4.170 7.435 ( -3.377 0.000 -2.767) 4.366 7.471 ( 6.069 0.000 1.704) 6.303 7.478 ( 0.243 0.000 -5.474) 5.479 7.555 ( 7.024 0.000 -2.406) 7.424 7.565 ( -3.490 0.000 -2.184) 4.117 7.618 ( -2.885 0.000 -3.375) 4.440 7.629 ( 0.690 0.000 -0.447) 0.822 7.732 ( 3.751 0.000 0.416) 3.774 7.756 ( -0.059 0.000 -0.988) 0.990 7.799 ( 3.992 0.000 -2.520) 4.721 7.811 ( -1.861 0.000 1.782) 2.577 7.829 ( 1.170 0.000 -4.003) 4.171 7.878 ( 2.036 0.000 -0.564) 2.113 7.919 ( 0.070 0.000 0.308) 0.316 7.969 ( -2.645 0.000 -2.711) 3.788 8.034 ( 0.047 0.000 2.010) 2.011 8.091 ( 4.203 0.000 -3.989) 5.794 8.091 ( -1.150 0.000 0.103) 1.155 8.170 ( 5.024 0.000 2.815) 5.758 8.191 ( 1.720 0.000 0.211) 1.733 8.215 ( 3.101 0.000 1.447) 3.422 8.227 ( -1.561 0.000 -2.079) 2.600 8.276 ( -1.659 0.000 -0.704) 1.802 8.301 ( 0.761 0.000 -1.139) 1.370 8.305 ( 1.301 0.000 0.686) 1.471 8.340 ( 2.198 0.000 1.558) 2.694 8.437 ( 1.855 0.000 -3.663) 4.106 8.455 ( 8.329 0.000 0.087) 8.330 8.515 ( -3.410 0.000 -0.086) 3.411 8.523 ( -1.207 0.000 0.008) 1.207 8.569 ( 0.116 0.000 -1.703) 1.707 8.573 ( -0.034 0.000 -4.432) 4.433 8.661 ( -3.317 0.000 1.555) 3.663 8.733 ( -0.382 0.000 -0.341) 0.512 8.793 ( 0.500 0.000 -3.916) 3.948 8.799 ( -1.812 0.000 -3.244) 3.716 8.840 ( 0.028 0.000 -0.255) 0.257 8.986 ( 5.684 0.000 2.455) 6.191 8.993 ( 1.356 0.000 -1.412) 1.958 9.032 ( -0.919 0.000 4.038) 4.142 9.061 ( 2.080 0.000 3.752) 4.290 9.128 ( -3.285 0.000 0.853) 3.394 9.173 ( -1.619 0.000 0.297) 1.646 9.177 ( -6.344 0.000 5.904) 8.666 9.278 ( -3.324 0.000 2.537) 4.182 9.281 ( -1.466 0.000 6.775) 6.931 9.297 ( 0.380 0.000 2.101) 2.135 9.390 ( -1.996 0.000 -0.740) 2.129 9.427 ( -3.823 0.000 1.839) 4.242 9.459 ( 3.913 0.000 -0.615) 3.961 9.470 ( -6.509 0.000 -1.329) 6.643 9.563 ( -3.528 0.000 0.589) 3.577 9.571 ( 0.364 0.000 -1.700) 1.739 9.650 ( -1.820 0.000 -0.471) 1.880 9.739 ( 0.906 0.000 -4.392) 4.484 9.770 ( 0.268 0.000 -1.440) 1.465 9.785 ( 6.252 0.000 2.089) 6.592 9.852 ( 0.985 0.000 -1.332) 1.657 9.928 ( -0.294 0.000 -0.402) 0.498 9.940 ( 7.856 0.000 0.594) 7.879 9.967 ( 2.673 0.000 2.053) 3.371 9.974 ( -2.187 0.000 2.543) 3.354 10.101 ( -4.021 0.000 -0.312) 4.034 10.115 ( -2.045 0.000 5.471) 5.841 10.207 ( 1.362 0.000 -4.131) 4.350 10.213 ( 3.784 0.000 -2.295) 4.426 10.259 ( 1.120 0.000 0.558) 1.252 10.259 ( 1.397 0.000 -6.050) 6.209 10.511 ( 1.917 0.000 5.447) 5.775 10.553 ( 0.186 0.000 1.094) 1.110 10.637 ( 1.191 0.000 3.727) 3.913 10.710 ( 0.538 0.000 -4.220) 4.255 10.720 ( 1.009 0.000 6.094) 6.177 10.784 ( 1.806 0.000 -3.791) 4.200 10.935 ( 2.240 0.000 4.371) 4.911 10.938 ( 2.575 0.000 -3.212) 4.117 11.175 ( -2.378 0.000 2.002) 3.109 11.353 ( -4.800 0.000 0.915) 4.886 11.465 ( 0.596 0.000 -3.813) 3.859 11.530 ( -0.068 0.000 -3.757) 3.758 13.899 ( 1.798 0.000 0.582) 1.889 13.970 ( 2.801 0.000 -0.855) 2.929 14.016 ( -4.062 0.000 4.740) 6.242 14.155 ( -2.457 0.000 -0.652) 2.542 14.176 ( 0.733 0.000 1.576) 1.738 14.186 ( 3.802 0.000 1.422) 4.059 14.196 ( 2.623 0.000 0.928) 2.783 14.220 ( -1.824 0.000 5.405) 5.704 14.322 ( 3.720 0.000 -2.418) 4.437 14.477 ( -2.519 0.000 -5.073) 5.664 14.489 ( -3.953 0.000 3.310) 5.155 14.628 ( 10.973 0.000 -3.451) 11.502 14.718 ( -4.906 0.000 -0.078) 4.907 14.759 ( 3.926 0.000 0.146) 3.928 14.855 ( 3.274 0.000 0.139) 3.277 15.052 ( -0.910 0.000 -0.749) 1.179 15.102 ( -1.914 0.000 -3.561) 4.043 15.172 ( -0.489 0.000 1.533) 1.609 15.209 ( -15.791 0.000 9.814) 18.592 15.354 ( -11.010 0.000 -2.840) 11.370 15.593 ( 0.449 0.000 4.910) 4.931 15.649 ( -0.889 0.000 1.615) 1.843 15.755 ( 6.829 0.000 -3.122) 7.509 15.993 ( 0.204 0.000 -5.742) 5.745 16.198 ( 1.183 0.000 0.036) 1.183 16.208 ( 1.326 0.000 0.161) 1.335 16.218 ( 0.255 0.000 -0.150) 0.296 16.250 ( 6.847 0.000 -5.674) 8.893 16.282 ( -1.147 0.000 0.367) 1.204 16.321 ( -1.365 0.000 -0.097) 1.369 16.380 ( -1.303 0.000 -0.336) 1.346 16.424 ( -0.602 0.000 -2.552) 2.622 ======================= Grid point 27 (12/27) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( 26.179 0.000 12.948) 29.206 1.302 ( 24.167 0.000 14.426) 28.145 1.752 ( -22.357 0.000 7.983) 23.739 1.778 ( -24.016 0.000 8.059) 25.332 2.087 ( 38.007 0.000 13.043) 40.183 2.257 ( 5.950 0.000 -14.519) 15.690 2.283 ( 9.212 0.000 -12.266) 15.340 2.378 ( -6.364 0.000 -10.261) 12.074 2.416 ( 1.528 0.000 0.832) 1.740 2.515 ( -3.905 0.000 -5.899) 7.074 2.588 ( -4.497 0.000 -0.227) 4.503 2.600 ( -0.095 0.000 -0.570) 0.578 2.618 ( -1.935 0.000 1.773) 2.624 2.699 ( -0.036 0.000 2.320) 2.320 2.738 ( -11.676 0.000 1.537) 11.777 2.783 ( 3.308 0.000 -0.719) 3.385 2.862 ( -3.370 0.000 -2.143) 3.994 2.867 ( -5.783 0.000 1.467) 5.966 2.930 ( 3.357 0.000 -0.643) 3.418 2.987 ( -2.326 0.000 1.378) 2.704 2.990 ( 2.238 0.000 -5.433) 5.876 3.022 ( -3.319 0.000 -2.344) 4.063 3.064 ( -5.282 0.000 0.403) 5.297 3.069 ( -5.752 0.000 0.303) 5.760 3.450 ( 0.964 0.000 -1.610) 1.877 3.481 ( 3.463 0.000 2.987) 4.573 3.490 ( -1.810 0.000 -1.141) 2.139 3.514 ( -1.078 0.000 4.444) 4.573 3.520 ( 0.591 0.000 1.023) 1.181 3.555 ( -2.275 0.000 1.733) 2.860 3.587 ( 4.002 0.000 4.940) 6.358 3.654 ( 7.717 0.000 0.954) 7.776 3.664 ( -3.161 0.000 4.702) 5.666 3.705 ( 2.755 0.000 -2.195) 3.523 3.775 ( -0.056 0.000 -2.341) 2.341 3.787 ( -1.924 0.000 -1.508) 2.445 3.839 ( 7.249 0.000 2.283) 7.600 3.874 ( -0.157 0.000 -0.257) 0.301 3.916 ( -3.041 0.000 -1.313) 3.313 3.981 ( -2.004 0.000 -0.266) 2.022 4.036 ( -3.513 0.000 1.961) 4.024 4.087 ( -4.648 0.000 6.233) 7.775 4.194 ( 3.880 0.000 -3.751) 5.397 4.256 ( 2.143 0.000 -1.343) 2.529 4.284 ( 6.544 0.000 -0.537) 6.566 4.293 ( 2.786 0.000 2.036) 3.451 4.335 ( 7.282 0.000 -0.957) 7.345 4.340 ( 1.422 0.000 -0.393) 1.475 4.361 ( 1.433 0.000 2.638) 3.002 4.376 ( -0.207 0.000 1.850) 1.862 4.451 ( -1.968 0.000 4.571) 4.976 4.456 ( 0.483 0.000 2.338) 2.387 4.524 ( -2.142 0.000 1.741) 2.760 4.538 ( -1.762 0.000 4.289) 4.637 4.579 ( 2.439 0.000 1.536) 2.883 4.649 ( -2.759 0.000 0.730) 2.854 4.704 ( 1.278 0.000 2.204) 2.548 4.716 ( 14.578 0.000 -2.179) 14.740 4.769 ( -5.711 0.000 2.560) 6.258 4.836 ( 1.666 0.000 -3.918) 4.258 4.872 ( 1.367 0.000 -2.062) 2.474 4.883 ( 4.098 0.000 -1.487) 4.359 4.914 ( 2.825 0.000 0.630) 2.894 4.960 ( -2.253 0.000 4.091) 4.670 4.992 ( 2.283 0.000 0.151) 2.288 5.004 ( 8.259 0.000 -0.036) 8.259 5.018 ( 3.412 0.000 -1.186) 3.612 5.025 ( -3.161 0.000 -5.034) 5.944 5.040 ( 1.002 0.000 0.474) 1.109 5.047 ( -6.188 0.000 -1.801) 6.445 5.116 ( -6.746 0.000 -2.584) 7.224 5.153 ( 2.381 0.000 1.119) 2.630 5.195 ( -4.033 0.000 -0.311) 4.045 5.205 ( 0.597 0.000 0.527) 0.796 5.228 ( -2.486 0.000 1.833) 3.089 5.271 ( -4.739 0.000 -1.509) 4.973 5.340 ( 9.968 0.000 -2.738) 10.337 5.389 ( 3.634 0.000 -2.734) 4.547 5.442 ( 2.628 0.000 -1.186) 2.883 5.490 ( 3.884 0.000 2.189) 4.458 5.549 ( -6.021 0.000 -4.848) 7.730 5.585 ( -7.945 0.000 -2.862) 8.445 5.609 ( -3.373 0.000 1.992) 3.917 5.623 ( -7.498 0.000 -0.204) 7.501 5.718 ( -2.857 0.000 0.188) 2.864 5.733 ( -6.079 0.000 1.198) 6.196 5.737 ( -0.300 0.000 1.488) 1.518 5.778 ( 3.284 0.000 -0.095) 3.286 5.832 ( 2.735 0.000 0.038) 2.735 5.889 ( -2.236 0.000 0.435) 2.278 5.896 ( -4.006 0.000 5.716) 6.980 6.001 ( -4.816 0.000 -0.387) 4.832 6.053 ( -1.565 0.000 -3.954) 4.253 6.074 ( -2.202 0.000 -3.828) 4.416 6.074 ( -0.583 0.000 -4.527) 4.564 6.130 ( -6.552 0.000 -1.949) 6.835 6.245 ( 2.430 0.000 1.433) 2.821 6.273 ( -0.360 0.000 2.220) 2.249 6.288 ( 0.749 0.000 2.664) 2.768 6.296 ( 2.049 0.000 -2.381) 3.141 6.336 ( -2.155 0.000 1.431) 2.587 6.359 ( -5.413 0.000 1.864) 5.725 6.444 ( 0.385 0.000 -1.564) 1.610 6.451 ( 3.430 0.000 -2.744) 4.392 6.489 ( -3.126 0.000 2.409) 3.947 6.542 ( -2.733 0.000 -2.096) 3.444 6.550 ( 2.844 0.000 2.205) 3.599 6.556 ( 0.906 0.000 -2.566) 2.721 6.612 ( -2.960 0.000 -4.833) 5.667 6.624 ( -4.299 0.000 4.652) 6.334 6.685 ( 2.794 0.000 -2.450) 3.716 6.721 ( 2.236 0.000 -0.881) 2.403 6.744 ( -2.798 0.000 -2.477) 3.737 6.784 ( -3.630 0.000 -3.020) 4.722 6.915 ( 6.547 0.000 -0.286) 6.554 6.945 ( 2.579 0.000 1.930) 3.222 6.970 ( 5.331 0.000 -2.443) 5.864 7.000 ( -2.450 0.000 3.671) 4.414 7.011 ( -0.827 0.000 3.864) 3.952 7.033 ( 3.084 0.000 -0.268) 3.095 7.093 ( -3.283 0.000 1.170) 3.485 7.095 ( -4.544 0.000 0.887) 4.629 7.165 ( 4.693 0.000 -0.945) 4.788 7.205 ( 2.669 0.000 0.267) 2.682 7.231 ( 0.695 0.000 3.222) 3.297 7.259 ( -1.857 0.000 4.390) 4.767 7.316 ( -5.183 0.000 -4.081) 6.597 7.330 ( -4.144 0.000 1.914) 4.565 7.478 ( 2.600 0.000 -1.570) 3.037 7.506 ( 3.855 0.000 0.900) 3.958 7.553 ( -4.020 0.000 -2.306) 4.634 7.564 ( -1.533 0.000 0.015) 1.533 7.598 ( 6.003 0.000 -1.150) 6.112 7.606 ( 5.767 0.000 0.786) 5.820 7.707 ( -1.199 0.000 -0.896) 1.497 7.721 ( -4.956 0.000 -1.419) 5.155 7.740 ( 3.057 0.000 -0.962) 3.205 7.828 ( 0.816 0.000 1.864) 2.035 7.837 ( -2.094 0.000 -1.648) 2.665 7.854 ( -1.387 0.000 2.547) 2.901 7.866 ( 2.813 0.000 -0.179) 2.818 7.938 ( -2.014 0.000 0.877) 2.196 7.979 ( 7.840 0.000 -6.786) 10.369 8.055 ( 1.759 0.000 -0.887) 1.970 8.081 ( -0.569 0.000 -0.455) 0.728 8.110 ( -4.512 0.000 -6.882) 8.229 8.221 ( 1.753 0.000 4.436) 4.770 8.223 ( 1.674 0.000 -1.989) 2.600 8.238 ( -0.639 0.000 -2.226) 2.316 8.249 ( -0.085 0.000 2.872) 2.873 8.260 ( 4.006 0.000 -2.517) 4.731 8.327 ( -0.752 0.000 -0.657) 0.999 8.360 ( 4.357 0.000 0.673) 4.409 8.379 ( 2.184 0.000 0.968) 2.389 8.426 ( -2.055 0.000 -1.269) 2.415 8.439 ( -4.057 0.000 1.920) 4.489 8.509 ( 0.527 0.000 0.699) 0.875 8.540 ( 1.054 0.000 -2.789) 2.982 8.546 ( -2.699 0.000 1.563) 3.119 8.581 ( -3.708 0.000 -2.643) 4.553 8.696 ( 11.592 0.000 -0.252) 11.595 8.726 ( 0.624 0.000 -0.267) 0.678 8.761 ( -2.257 0.000 -0.463) 2.304 8.844 ( 4.525 0.000 -1.832) 4.882 8.880 ( 4.258 0.000 -1.896) 4.661 8.909 ( -8.758 0.000 -2.350) 9.068 8.960 ( -6.230 0.000 0.782) 6.279 8.980 ( -5.454 0.000 3.574) 6.520 9.130 ( 3.971 0.000 0.417) 3.993 9.141 ( 1.470 0.000 1.884) 2.389 9.153 ( 1.520 0.000 3.055) 3.412 9.163 ( 2.737 0.000 1.618) 3.180 9.229 ( -1.031 0.000 1.803) 2.077 9.247 ( -0.514 0.000 8.327) 8.343 9.297 ( -3.533 0.000 4.904) 6.044 9.312 ( -7.363 0.000 3.016) 7.956 9.351 ( 0.944 0.000 -1.519) 1.788 9.385 ( -1.762 0.000 -0.528) 1.839 9.511 ( 2.489 0.000 -3.639) 4.408 9.553 ( -1.130 0.000 -3.511) 3.689 9.588 ( 1.192 0.000 -2.507) 2.776 9.613 ( -1.555 0.000 -1.723) 2.322 9.759 ( 1.399 0.000 -4.459) 4.673 9.776 ( -0.122 0.000 -3.297) 3.299 9.875 ( 2.724 0.000 0.634) 2.797 9.892 ( 3.658 0.000 1.048) 3.805 9.914 ( -1.833 0.000 3.180) 3.671 9.971 ( 3.324 0.000 4.119) 5.293 9.974 ( -3.784 0.000 2.211) 4.382 10.047 ( 3.048 0.000 0.014) 3.048 10.053 ( -4.265 0.000 6.164) 7.495 10.062 ( 0.967 0.000 0.438) 1.062 10.233 ( 1.333 0.000 -2.834) 3.132 10.253 ( 0.859 0.000 2.242) 2.401 10.256 ( -1.036 0.000 -2.472) 2.680 10.269 ( -0.419 0.000 1.973) 2.018 10.573 ( 3.465 0.000 4.306) 5.527 10.600 ( 4.565 0.000 -2.772) 5.340 10.627 ( -1.967 0.000 5.050) 5.420 10.685 ( -3.376 0.000 -4.490) 5.617 10.758 ( 2.474 0.000 1.356) 2.821 10.792 ( -0.821 0.000 -2.551) 2.679 10.986 ( 2.842 0.000 0.822) 2.958 11.005 ( 2.505 0.000 -2.952) 3.872 11.140 ( 0.666 0.000 4.865) 4.910 11.234 ( -7.077 0.000 1.968) 7.345 11.486 ( 1.494 0.000 -4.149) 4.410 11.515 ( -1.365 0.000 -4.004) 4.230 13.934 ( 1.722 0.000 1.429) 2.238 13.966 ( -1.812 0.000 3.054) 3.551 14.034 ( 3.612 0.000 -0.632) 3.667 14.100 ( -3.223 0.000 -0.538) 3.268 14.191 ( 0.766 0.000 2.093) 2.229 14.202 ( -0.438 0.000 3.233) 3.263 14.272 ( 4.883 0.000 -0.746) 4.940 14.283 ( 5.741 0.000 2.295) 6.183 14.355 ( -2.573 0.000 -2.685) 3.719 14.394 ( -5.706 0.000 3.418) 6.651 14.469 ( 4.177 0.000 -2.118) 4.683 14.592 ( -7.405 0.000 -0.285) 7.411 14.807 ( 8.414 0.000 -0.183) 8.416 14.862 ( 6.246 0.000 0.663) 6.281 14.920 ( 0.474 0.000 2.125) 2.177 14.979 ( -5.706 0.000 1.927) 6.023 15.022 ( -2.472 0.000 1.859) 3.093 15.111 ( 1.729 0.000 -5.419) 5.688 15.143 ( -10.456 0.000 -1.929) 10.632 15.147 ( -1.899 0.000 -1.605) 2.487 15.607 ( 1.000 0.000 3.521) 3.660 15.628 ( -1.196 0.000 2.544) 2.811 15.877 ( 5.671 0.000 -4.517) 7.251 15.962 ( -3.184 0.000 -4.917) 5.858 16.218 ( 0.702 0.000 0.009) 0.702 16.224 ( 0.181 0.000 0.270) 0.325 16.232 ( 1.365 0.000 0.720) 1.543 16.258 ( -1.338 0.000 0.449) 1.411 16.310 ( 0.700 0.000 -0.098) 0.707 16.336 ( 3.220 0.000 -3.822) 4.998 16.344 ( -2.317 0.000 0.216) 2.327 16.391 ( -2.571 0.000 -2.515) 3.596 ======================= Grid point 30 (13/27) ======================= q-point: ( 0.00 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( 0.000 22.288 20.225) 30.096 0.847 ( 0.000 21.488 22.235) 30.921 1.314 ( 0.000 35.164 31.703) 47.346 1.991 ( 0.000 -8.591 -6.390) 10.707 2.032 ( 0.000 2.162 -8.864) 9.123 2.179 ( 0.000 -12.894 0.830) 12.920 2.220 ( 0.000 -1.701 -6.416) 6.638 2.478 ( 0.000 -2.290 -3.607) 4.273 2.531 ( 0.000 -2.190 0.589) 2.268 2.618 ( 0.000 0.855 -1.536) 1.758 2.621 ( 0.000 -2.035 -5.730) 6.080 2.650 ( 0.000 -2.587 -0.099) 2.589 2.680 ( 0.000 10.501 2.609) 10.820 2.706 ( 0.000 -6.782 -0.047) 6.782 2.764 ( 0.000 1.647 3.102) 3.512 2.802 ( 0.000 0.079 2.882) 2.883 2.809 ( 0.000 -0.967 -3.183) 3.327 2.860 ( 0.000 -1.143 1.801) 2.133 3.005 ( 0.000 1.307 -6.769) 6.894 3.019 ( 0.000 0.332 -3.740) 3.754 3.035 ( 0.000 -4.318 -0.030) 4.318 3.114 ( 0.000 -2.022 1.724) 2.657 3.148 ( 0.000 1.799 1.074) 2.096 3.190 ( 0.000 -11.877 1.639) 11.989 3.200 ( 0.000 2.124 3.701) 4.267 3.440 ( 0.000 -1.046 3.166) 3.335 3.444 ( 0.000 -0.490 2.036) 2.094 3.479 ( 0.000 0.432 -2.857) 2.889 3.513 ( 0.000 1.103 -4.559) 4.690 3.596 ( 0.000 1.348 2.807) 3.114 3.602 ( 0.000 3.744 -1.999) 4.244 3.652 ( 0.000 5.788 -1.744) 6.045 3.668 ( 0.000 4.768 1.176) 4.911 3.697 ( 0.000 -2.345 -3.700) 4.380 3.760 ( 0.000 2.044 7.314) 7.594 3.786 ( 0.000 -2.209 -0.301) 2.229 3.822 ( 0.000 3.422 1.457) 3.719 3.840 ( 0.000 -2.069 3.711) 4.249 3.902 ( 0.000 -0.702 -3.962) 4.024 4.011 ( 0.000 -1.004 -2.046) 2.279 4.070 ( 0.000 1.559 1.926) 2.478 4.089 ( 0.000 -1.616 -5.211) 5.456 4.112 ( 0.000 -1.642 4.099) 4.416 4.137 ( 0.000 -3.005 -5.942) 6.658 4.217 ( 0.000 -2.188 3.752) 4.344 4.223 ( 0.000 4.056 3.303) 5.230 4.309 ( 0.000 0.275 -1.103) 1.136 4.314 ( 0.000 1.824 5.179) 5.491 4.331 ( 0.000 6.255 4.550) 7.734 4.346 ( 0.000 4.830 2.260) 5.333 4.429 ( 0.000 2.832 0.112) 2.834 4.494 ( 0.000 -0.058 2.915) 2.916 4.494 ( 0.000 -1.814 -2.754) 3.298 4.523 ( 0.000 4.461 -0.516) 4.490 4.565 ( 0.000 -2.279 -5.313) 5.781 4.625 ( 0.000 -2.144 0.437) 2.188 4.656 ( 0.000 -1.147 -0.149) 1.156 4.688 ( 0.000 0.446 -1.171) 1.253 4.728 ( 0.000 -0.823 1.394) 1.619 4.754 ( 0.000 2.261 5.126) 5.602 4.777 ( 0.000 -0.238 0.870) 0.902 4.805 ( 0.000 4.128 -0.031) 4.128 4.836 ( 0.000 -6.360 0.208) 6.363 4.875 ( 0.000 4.752 1.312) 4.930 4.920 ( 0.000 -0.547 0.312) 0.630 4.925 ( 0.000 -2.639 1.065) 2.846 4.952 ( 0.000 1.904 0.758) 2.049 4.992 ( 0.000 -2.066 -3.338) 3.926 4.992 ( 0.000 2.815 3.330) 4.360 5.084 ( 0.000 0.065 2.578) 2.579 5.093 ( 0.000 -4.210 -1.012) 4.330 5.120 ( 0.000 1.596 2.415) 2.895 5.185 ( 0.000 -1.066 2.838) 3.032 5.187 ( 0.000 5.667 -2.909) 6.370 5.281 ( 0.000 -3.744 1.435) 4.010 5.355 ( 0.000 -1.120 -1.882) 2.190 5.365 ( 0.000 2.525 -1.871) 3.143 5.452 ( 0.000 -2.701 1.057) 2.901 5.505 ( 0.000 0.535 1.111) 1.233 5.520 ( 0.000 0.948 3.465) 3.592 5.557 ( 0.000 0.729 2.389) 2.498 5.651 ( 0.000 -4.756 -3.900) 6.151 5.672 ( 0.000 2.032 -3.440) 3.995 5.756 ( 0.000 -1.031 -2.301) 2.522 5.781 ( 0.000 0.284 -3.651) 3.662 5.818 ( 0.000 -0.418 -7.522) 7.533 5.839 ( 0.000 1.961 -0.446) 2.011 5.916 ( 0.000 0.085 1.389) 1.392 5.948 ( 0.000 1.259 1.811) 2.206 5.975 ( 0.000 -2.686 -6.433) 6.971 6.058 ( 0.000 -2.216 3.529) 4.167 6.106 ( 0.000 -2.105 -5.055) 5.476 6.150 ( 0.000 -0.934 -3.721) 3.837 6.167 ( 0.000 -6.214 -2.867) 6.844 6.170 ( 0.000 -1.269 0.813) 1.507 6.185 ( 0.000 -2.698 0.443) 2.734 6.227 ( 0.000 1.301 -2.111) 2.480 6.266 ( 0.000 0.215 0.635) 0.670 6.273 ( 0.000 -9.679 2.215) 9.929 6.323 ( 0.000 5.697 -2.841) 6.366 6.370 ( 0.000 -9.907 -1.267) 9.988 6.390 ( 0.000 1.252 -1.145) 1.697 6.421 ( 0.000 2.958 -1.723) 3.423 6.455 ( 0.000 -1.682 -0.586) 1.781 6.473 ( 0.000 1.954 2.151) 2.906 6.504 ( 0.000 -1.290 0.033) 1.290 6.533 ( 0.000 -0.029 0.487) 0.487 6.552 ( 0.000 0.491 -2.262) 2.315 6.616 ( 0.000 -5.600 2.986) 6.347 6.637 ( 0.000 5.485 -0.602) 5.518 6.666 ( 0.000 -3.005 6.327) 7.004 6.726 ( 0.000 6.056 0.102) 6.057 6.786 ( 0.000 1.496 2.217) 2.675 6.835 ( 0.000 6.849 0.671) 6.882 6.877 ( 0.000 -1.432 3.668) 3.938 6.915 ( 0.000 -5.338 -0.682) 5.382 6.944 ( 0.000 -7.637 -0.002) 7.637 6.969 ( 0.000 -1.617 -7.014) 7.198 6.986 ( 0.000 2.100 -0.602) 2.184 7.111 ( 0.000 0.092 0.607) 0.614 7.112 ( 0.000 -0.627 6.243) 6.275 7.139 ( 0.000 1.668 1.637) 2.337 7.224 ( 0.000 1.221 3.280) 3.500 7.233 ( 0.000 6.043 2.720) 6.627 7.244 ( 0.000 3.196 2.083) 3.815 7.256 ( 0.000 -0.307 0.839) 0.893 7.321 ( 0.000 0.591 0.577) 0.826 7.391 ( 0.000 0.521 -2.042) 2.107 7.422 ( 0.000 2.690 0.770) 2.798 7.459 ( 0.000 2.115 -1.548) 2.621 7.511 ( 0.000 1.553 -4.296) 4.568 7.559 ( 0.000 2.059 1.254) 2.411 7.575 ( 0.000 -1.725 -5.365) 5.635 7.650 ( 0.000 1.857 -2.521) 3.131 7.685 ( 0.000 2.901 -2.398) 3.764 7.717 ( 0.000 3.193 -1.788) 3.659 7.739 ( 0.000 1.277 -3.018) 3.277 7.773 ( 0.000 0.679 1.268) 1.438 7.815 ( 0.000 -4.435 -2.338) 5.013 7.842 ( 0.000 0.428 0.602) 0.738 7.872 ( 0.000 0.934 -2.465) 2.636 7.893 ( 0.000 -7.494 -4.342) 8.661 7.911 ( 0.000 1.985 -1.922) 2.763 8.007 ( 0.000 -2.890 2.609) 3.893 8.034 ( 0.000 -2.086 -2.435) 3.206 8.052 ( 0.000 -0.551 0.140) 0.568 8.093 ( 0.000 -2.920 3.816) 4.805 8.101 ( 0.000 -6.448 1.872) 6.714 8.202 ( 0.000 -4.502 0.228) 4.507 8.218 ( 0.000 -7.823 -1.479) 7.961 8.232 ( 0.000 2.958 3.084) 4.274 8.283 ( 0.000 -3.072 -0.993) 3.228 8.291 ( 0.000 -2.963 0.143) 2.967 8.296 ( 0.000 0.597 -0.900) 1.080 8.367 ( 0.000 2.358 0.235) 2.370 8.432 ( 0.000 5.251 -3.051) 6.073 8.472 ( 0.000 -1.294 -4.295) 4.485 8.544 ( 0.000 -2.453 -1.078) 2.680 8.593 ( 0.000 0.226 -1.453) 1.471 8.610 ( 0.000 -0.796 -1.686) 1.865 8.732 ( 0.000 -2.071 1.938) 2.836 8.745 ( 0.000 3.804 3.877) 5.431 8.780 ( 0.000 3.148 0.608) 3.206 8.802 ( 0.000 0.650 2.649) 2.727 8.875 ( 0.000 1.014 5.106) 5.205 8.889 ( 0.000 1.163 -1.876) 2.207 8.993 ( 0.000 -0.226 0.814) 0.845 9.030 ( 0.000 1.540 1.668) 2.270 9.142 ( 0.000 5.179 0.717) 5.229 9.161 ( 0.000 -2.310 -0.351) 2.337 9.163 ( 0.000 -0.364 -1.310) 1.360 9.230 ( 0.000 -1.090 1.176) 1.604 9.239 ( 0.000 -2.992 6.956) 7.572 9.304 ( 0.000 -0.061 0.608) 0.611 9.387 ( 0.000 0.036 1.374) 1.375 9.410 ( 0.000 1.603 -2.116) 2.655 9.445 ( 0.000 3.669 3.125) 4.820 9.539 ( 0.000 -2.119 -0.967) 2.329 9.546 ( 0.000 3.422 0.592) 3.473 9.618 ( 0.000 1.771 -0.615) 1.875 9.619 ( 0.000 7.151 0.672) 7.183 9.679 ( 0.000 -2.633 -3.352) 4.263 9.723 ( 0.000 0.677 1.435) 1.587 9.751 ( 0.000 0.547 -1.099) 1.228 9.758 ( 0.000 0.942 1.434) 1.716 9.790 ( 0.000 0.572 2.504) 2.569 9.837 ( 0.000 -0.923 -1.661) 1.900 9.918 ( 0.000 -3.833 4.016) 5.551 9.924 ( 0.000 -1.439 -2.913) 3.249 9.962 ( 0.000 2.022 3.169) 3.759 10.102 ( 0.000 -4.141 2.528) 4.851 10.109 ( 0.000 3.625 2.732) 4.539 10.133 ( 0.000 -1.942 -1.019) 2.193 10.177 ( 0.000 0.961 -3.062) 3.210 10.293 ( 0.000 3.860 -2.565) 4.635 10.299 ( 0.000 2.231 -5.404) 5.846 10.431 ( 0.000 -5.768 2.277) 6.202 10.550 ( 0.000 -3.539 2.724) 4.466 10.587 ( 0.000 -5.973 -2.194) 6.363 10.679 ( 0.000 -1.118 -5.375) 5.490 10.745 ( 0.000 4.993 6.058) 7.850 10.852 ( 0.000 3.593 5.012) 6.167 10.949 ( 0.000 5.764 2.092) 6.132 11.012 ( 0.000 8.868 -2.709) 9.272 11.218 ( 0.000 2.091 -0.520) 2.154 11.364 ( 0.000 -3.531 0.781) 3.617 11.434 ( 0.000 -3.132 -3.251) 4.514 11.479 ( 0.000 -4.164 -1.727) 4.508 13.914 ( 0.000 3.453 0.060) 3.454 13.959 ( 0.000 1.747 -0.568) 1.837 14.075 ( 0.000 -2.429 5.345) 5.872 14.099 ( 0.000 -0.223 1.417) 1.435 14.134 ( 0.000 -3.044 0.272) 3.056 14.153 ( 0.000 -1.024 1.462) 1.785 14.196 ( 0.000 -0.872 1.411) 1.659 14.201 ( 0.000 -2.832 8.140) 8.619 14.346 ( 0.000 1.962 -5.302) 5.654 14.408 ( 0.000 0.313 -2.584) 2.602 14.492 ( 0.000 -1.047 -5.318) 5.420 14.552 ( 0.000 2.200 4.027) 4.589 14.678 ( 0.000 -3.743 -1.913) 4.204 14.801 ( 0.000 -3.848 4.059) 5.593 14.841 ( 0.000 5.999 1.012) 6.084 15.062 ( 0.000 0.881 1.083) 1.396 15.147 ( 0.000 0.958 0.864) 1.290 15.169 ( 0.000 1.320 -5.008) 5.179 15.439 ( 0.000 -5.025 -1.535) 5.254 15.480 ( 0.000 -3.706 -5.030) 6.248 15.624 ( 0.000 2.453 2.606) 3.579 15.669 ( 0.000 0.619 0.444) 0.762 15.723 ( 0.000 2.476 0.248) 2.489 15.877 ( 0.000 -1.728 -4.567) 4.883 16.107 ( 0.000 1.345 2.755) 3.066 16.187 ( 0.000 0.082 -0.246) 0.259 16.196 ( 0.000 -0.756 0.038) 0.757 16.252 ( 0.000 0.193 -3.640) 3.645 16.295 ( 0.000 0.055 0.887) 0.888 16.334 ( 0.000 -0.450 0.562) 0.720 16.396 ( 0.000 0.415 -0.891) 0.983 16.425 ( 0.000 -0.020 -1.625) 1.625 ======================= Grid point 31 (14/27) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( 16.441 16.101 18.129) 29.295 1.035 ( 19.019 18.100 14.591) 30.037 1.607 ( 28.190 26.616 24.440) 45.830 2.020 ( 1.707 -6.129 -5.459) 8.383 2.076 ( -0.436 3.988 -7.770) 8.744 2.142 ( -2.231 -10.095 2.354) 10.603 2.262 ( 3.513 -0.788 -7.123) 7.981 2.353 ( -14.636 1.073 2.873) 14.954 2.421 ( -3.478 -4.813 -2.117) 6.305 2.538 ( -4.839 0.239 -3.241) 5.829 2.566 ( -3.725 -2.740 -3.488) 5.792 2.615 ( -1.751 -3.341 0.140) 3.775 2.639 ( -2.251 -1.398 -2.693) 3.778 2.677 ( -6.236 -3.567 0.932) 7.244 2.730 ( -3.520 -2.593 -0.402) 4.390 2.756 ( -2.386 -4.529 -0.870) 5.192 2.814 ( -1.216 -3.547 -4.378) 5.764 2.879 ( 1.347 0.829 0.148) 1.589 3.000 ( -0.490 0.990 -3.166) 3.353 3.024 ( 0.773 -0.053 -2.924) 3.025 3.071 ( -2.080 2.829 -0.406) 3.535 3.121 ( -1.663 -1.772 -0.351) 2.456 3.146 ( 3.019 -0.482 1.667) 3.482 3.156 ( -2.136 -2.333 1.657) 3.571 3.308 ( 8.156 0.188 3.243) 8.779 3.425 ( 0.513 -1.680 -0.499) 1.826 3.484 ( 0.820 -2.070 3.631) 4.259 3.500 ( -0.107 1.846 -1.604) 2.448 3.543 ( 1.367 2.196 -0.805) 2.709 3.577 ( 1.624 1.414 0.066) 2.154 3.611 ( 0.095 2.676 3.573) 4.465 3.620 ( -0.422 -0.384 -2.188) 2.261 3.668 ( -2.343 1.629 -2.579) 3.847 3.727 ( 1.790 3.736 0.357) 4.158 3.746 ( 0.526 3.463 5.405) 6.441 3.792 ( 0.560 0.078 5.040) 5.072 3.855 ( 4.791 2.138 1.674) 5.507 3.874 ( 1.064 2.621 -4.866) 5.628 3.966 ( 4.428 1.477 1.234) 4.828 4.026 ( -4.074 0.630 -4.282) 5.944 4.084 ( 3.598 -2.115 -0.488) 4.202 4.104 ( 4.839 -2.004 -1.560) 5.465 4.112 ( 1.015 1.185 2.453) 2.908 4.190 ( 4.689 -0.220 1.233) 4.853 4.204 ( -2.254 0.773 1.500) 2.816 4.226 ( 0.654 1.171 2.047) 2.447 4.300 ( 0.919 -0.744 2.724) 2.970 4.334 ( 2.338 0.476 3.391) 4.146 4.346 ( -1.174 1.330 4.596) 4.926 4.360 ( 1.030 3.002 2.909) 4.306 4.425 ( -0.415 2.091 -1.073) 2.386 4.439 ( 1.911 0.535 0.461) 2.037 4.491 ( 1.369 3.078 -2.533) 4.214 4.560 ( 1.690 0.857 1.036) 2.159 4.580 ( -2.695 -1.537 4.258) 5.269 4.615 ( 1.502 1.900 1.450) 2.822 4.676 ( 2.134 0.722 -0.541) 2.317 4.696 ( 4.249 -1.770 -2.315) 5.152 4.772 ( 1.963 0.842 1.232) 2.466 4.798 ( 3.785 -0.885 1.418) 4.137 4.810 ( -4.234 0.115 -1.761) 4.587 4.853 ( 4.110 1.959 -0.343) 4.565 4.884 ( 7.613 -1.012 1.463) 7.818 4.915 ( 2.271 1.106 0.229) 2.536 4.927 ( 2.642 -0.269 -0.428) 2.690 4.943 ( -0.837 -0.871 1.535) 1.953 4.976 ( 3.341 -1.281 -1.581) 3.912 4.997 ( 1.610 -0.735 3.176) 3.636 5.011 ( 0.250 -0.852 -0.057) 0.890 5.045 ( 3.737 0.565 2.358) 4.455 5.118 ( 0.863 1.072 -1.312) 1.901 5.161 ( 0.234 5.742 -2.968) 6.468 5.190 ( 3.191 -0.235 0.007) 3.199 5.220 ( -0.846 -1.345 1.810) 2.408 5.260 ( -1.463 -1.603 0.938) 2.365 5.307 ( -1.099 -0.941 -0.690) 1.603 5.352 ( -5.402 3.976 -1.751) 6.933 5.422 ( 0.320 -4.226 -0.681) 4.293 5.467 ( -4.528 1.924 -1.514) 5.147 5.537 ( -5.167 0.463 -2.941) 5.963 5.571 ( 2.091 -0.352 1.989) 2.907 5.604 ( -2.831 -3.454 -1.588) 4.740 5.646 ( -1.500 -2.488 -1.261) 3.167 5.693 ( -4.228 3.003 -2.724) 5.857 5.722 ( -2.644 -1.356 -0.815) 3.081 5.764 ( -2.792 -2.384 -1.382) 3.923 5.801 ( -5.679 0.279 1.231) 5.817 5.855 ( -5.330 0.695 -1.829) 5.677 5.930 ( -3.232 -3.560 2.870) 5.599 5.945 ( -2.143 2.428 -4.604) 5.629 6.044 ( -5.119 2.704 -3.721) 6.882 6.050 ( -9.333 -5.469 -1.242) 10.889 6.088 ( -0.180 -4.771 -0.836) 4.847 6.098 ( -3.103 -2.031 -1.311) 3.934 6.127 ( -3.686 -3.212 -3.375) 5.941 6.164 ( -1.908 0.168 -5.005) 5.359 6.202 ( -0.172 -3.565 1.486) 3.866 6.263 ( 0.282 -1.667 0.901) 1.916 6.272 ( -3.784 -1.354 -0.999) 4.141 6.312 ( -3.521 0.162 1.930) 4.019 6.361 ( -3.279 1.218 -0.180) 3.502 6.379 ( 0.068 -7.982 2.445) 8.348 6.430 ( 1.116 -2.558 -4.104) 4.963 6.443 ( -1.307 0.704 -2.597) 2.991 6.463 ( -1.713 -2.956 2.800) 4.418 6.484 ( -1.171 1.403 0.619) 1.930 6.518 ( 1.540 1.951 0.488) 2.533 6.593 ( -0.354 -0.128 1.227) 1.284 6.605 ( 0.911 -6.415 1.036) 6.561 6.675 ( 2.106 3.070 0.423) 3.746 6.692 ( 3.965 -1.121 2.353) 4.745 6.741 ( -0.391 6.023 -0.358) 6.046 6.761 ( -0.874 0.075 -3.603) 3.708 6.827 ( -0.766 3.100 2.475) 4.040 6.854 ( -2.858 -5.848 2.203) 6.872 6.927 ( -0.801 -1.058 -2.163) 2.538 6.936 ( 0.998 2.737 0.168) 2.918 6.958 ( 2.888 2.763 0.271) 4.006 7.035 ( 3.357 2.453 2.670) 4.941 7.096 ( -1.441 1.086 -0.261) 1.823 7.121 ( 0.646 4.465 -0.823) 4.586 7.143 ( -0.684 0.719 3.117) 3.271 7.195 ( -0.174 2.327 2.271) 3.256 7.218 ( -1.251 3.278 2.287) 4.188 7.229 ( 1.074 0.145 1.500) 1.850 7.287 ( 0.757 0.209 0.267) 0.829 7.337 ( 1.814 2.506 2.033) 3.702 7.409 ( -1.422 -0.349 0.001) 1.464 7.438 ( 3.353 -0.637 -0.348) 3.431 7.487 ( -0.645 3.046 -2.232) 3.831 7.528 ( -0.905 2.638 -1.743) 3.289 7.548 ( 4.934 -0.930 -0.914) 5.104 7.586 ( 0.630 -2.788 -1.024) 3.036 7.629 ( -2.078 0.819 -3.613) 4.247 7.662 ( -1.850 6.421 -0.944) 6.749 7.713 ( 1.918 -0.852 -1.282) 2.459 7.766 ( -1.367 -0.748 -1.380) 2.081 7.785 ( 2.776 -1.033 -3.492) 4.579 7.807 ( 0.407 0.131 -0.197) 0.471 7.845 ( -0.069 0.280 -2.932) 2.947 7.859 ( -0.235 -1.515 -0.600) 1.646 7.912 ( 0.530 -1.369 -2.588) 2.975 7.926 ( -0.226 -2.421 0.325) 2.453 8.007 ( -0.156 -1.861 1.803) 2.596 8.043 ( 0.751 -3.812 -0.917) 3.992 8.073 ( 0.602 -3.879 1.292) 4.133 8.114 ( 5.674 -2.397 -1.285) 6.292 8.127 ( 1.688 -5.156 -0.443) 5.444 8.171 ( -1.650 -6.413 -0.596) 6.649 8.229 ( -0.240 -4.329 -1.717) 4.663 8.251 ( 0.583 -0.684 1.859) 2.065 8.274 ( 0.747 -0.927 1.156) 1.659 8.313 ( 1.590 1.219 -0.303) 2.026 8.345 ( 2.830 -0.489 0.742) 2.966 8.413 ( 2.964 -2.160 -0.465) 3.697 8.470 ( 0.656 -0.810 -2.220) 2.453 8.487 ( 3.552 3.316 -4.669) 6.739 8.523 ( -0.745 -2.465 0.963) 2.749 8.571 ( -0.458 1.521 -0.484) 1.661 8.616 ( -0.364 1.836 1.192) 2.219 8.682 ( -2.246 2.291 0.856) 3.321 8.742 ( -1.169 1.006 -1.061) 1.872 8.796 ( -0.648 2.544 -0.892) 2.773 8.821 ( 0.527 0.911 0.115) 1.059 8.869 ( 2.183 2.091 -0.502) 3.065 8.952 ( 2.972 -0.678 3.705) 4.798 9.006 ( 1.438 -0.611 0.852) 1.780 9.038 ( 1.064 0.335 1.793) 2.111 9.106 ( -4.583 -0.130 0.891) 4.671 9.137 ( -0.740 1.420 0.260) 1.622 9.148 ( -1.311 1.257 0.166) 1.824 9.206 ( -1.735 0.355 2.182) 2.810 9.240 ( -1.484 -2.003 4.725) 5.342 9.290 ( -0.566 0.190 2.390) 2.464 9.320 ( -4.791 1.939 3.052) 6.003 9.351 ( -4.210 -3.725 0.560) 5.649 9.425 ( -5.474 2.168 2.389) 6.354 9.510 ( -6.172 2.653 -1.210) 6.826 9.518 ( 2.857 4.711 -0.974) 5.595 9.550 ( 0.511 -1.569 -2.331) 2.856 9.597 ( -2.341 1.175 -0.627) 2.693 9.661 ( -1.871 2.535 0.411) 3.177 9.733 ( 1.613 -0.781 -3.702) 4.113 9.781 ( 1.710 1.631 -1.404) 2.748 9.798 ( 5.622 1.457 1.219) 5.935 9.855 ( 1.954 0.226 -0.639) 2.068 9.916 ( 0.827 -1.325 -0.623) 1.681 9.939 ( 5.781 -0.380 1.368) 5.953 9.970 ( 3.922 -1.167 1.623) 4.402 9.988 ( 0.742 1.868 3.270) 3.838 10.066 ( -1.803 -0.344 2.890) 3.424 10.112 ( -1.127 -0.350 4.706) 4.851 10.186 ( 3.704 -1.107 -2.495) 4.601 10.195 ( 2.412 -0.112 -0.823) 2.551 10.289 ( -1.056 1.749 -3.607) 4.145 10.300 ( 0.539 2.377 -1.659) 2.948 10.445 ( 2.022 -3.467 1.489) 4.281 10.565 ( 0.365 -4.516 0.286) 4.540 10.607 ( 2.134 -0.035 -1.633) 2.687 10.708 ( 2.564 -4.302 -5.207) 7.225 10.755 ( 1.130 3.803 5.098) 6.460 10.832 ( -2.550 6.864 4.034) 8.360 10.939 ( 0.789 0.690 5.015) 5.123 11.033 ( 1.699 8.101 -3.248) 8.891 11.180 ( -3.338 1.058 1.214) 3.706 11.325 ( -4.136 -2.746 0.443) 4.985 11.435 ( 0.510 -3.196 -3.741) 4.947 11.491 ( 0.312 -3.936 -3.134) 5.041 13.931 ( 1.527 3.186 0.229) 3.541 13.982 ( 1.826 1.368 0.495) 2.334 14.026 ( -1.374 1.556 3.174) 3.793 14.125 ( 0.692 -1.949 0.873) 2.245 14.152 ( 1.474 -2.284 1.287) 3.007 14.175 ( 0.826 -1.735 2.178) 2.904 14.195 ( 3.309 -0.212 2.471) 4.135 14.267 ( -1.488 3.955 -0.947) 4.331 14.322 ( 4.820 -0.828 -0.017) 4.891 14.450 ( -2.488 -2.375 -4.399) 5.584 14.511 ( 0.580 0.480 1.306) 1.508 14.538 ( 3.551 -1.979 -0.356) 4.080 14.717 ( 3.068 -3.278 -1.007) 4.601 14.777 ( -3.549 1.641 0.382) 3.929 14.814 ( -0.544 -3.148 4.456) 5.483 15.063 ( -1.109 0.914 2.337) 2.743 15.130 ( -1.899 -0.205 -0.042) 1.911 15.155 ( -0.535 3.214 -6.872) 7.605 15.310 ( -11.858 5.127 2.522) 13.163 15.358 ( -6.611 -0.250 -1.685) 6.827 15.600 ( -0.599 1.040 3.289) 3.500 15.670 ( -2.013 2.431 0.393) 3.180 15.740 ( 5.217 -1.681 -2.904) 6.203 15.939 ( 0.843 -5.302 -5.685) 7.820 16.161 ( 3.481 -1.329 1.135) 3.895 16.199 ( 1.160 -0.042 0.065) 1.163 16.205 ( 0.864 -0.881 0.092) 1.237 16.261 ( 0.245 -1.211 -1.789) 2.174 16.291 ( 0.605 0.961 -1.041) 1.541 16.326 ( -0.844 0.050 0.277) 0.890 16.382 ( -1.500 0.154 -0.364) 1.551 16.415 ( -1.264 -0.777 -1.466) 2.086 ======================= Grid point 32 (15/27) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( 21.815 10.597 11.248) 26.734 1.440 ( 22.531 12.320 10.505) 27.745 1.801 ( -20.657 6.074 5.948) 22.337 1.858 ( -19.587 6.976 6.769) 21.866 2.192 ( 23.422 7.153 7.320) 25.560 2.237 ( 6.240 -1.803 -9.116) 11.193 2.263 ( 6.235 -9.022 -2.646) 11.281 2.328 ( 4.748 2.097 -7.778) 9.351 2.391 ( -2.523 -3.545 -3.871) 5.824 2.493 ( 2.833 -4.939 0.752) 5.743 2.513 ( -1.004 -2.537 -5.495) 6.135 2.545 ( -5.489 -8.082 -0.524) 9.784 2.573 ( -2.437 -4.176 -1.381) 5.028 2.625 ( -0.039 -3.199 -3.239) 4.553 2.660 ( -5.313 -6.972 -3.781) 9.547 2.701 ( 0.983 -6.277 -3.011) 7.031 2.749 ( -4.779 -7.619 -4.595) 10.100 2.853 ( -14.168 3.849 5.422) 15.651 2.961 ( 1.180 3.155 0.598) 3.421 3.008 ( -1.720 0.491 0.642) 1.901 3.043 ( 0.362 4.482 -0.898) 4.586 3.068 ( -2.441 0.314 1.619) 2.946 3.135 ( 1.053 6.090 -1.854) 6.453 3.168 ( -1.389 5.167 -1.051) 5.453 3.400 ( 2.145 -2.079 0.208) 2.994 3.442 ( 1.520 -3.372 0.225) 3.705 3.453 ( -3.395 -1.326 1.315) 3.875 3.483 ( -1.942 -2.944 1.432) 3.807 3.551 ( 0.131 0.990 3.019) 3.180 3.574 ( -1.313 -1.194 2.968) 3.458 3.611 ( 1.376 1.079 1.836) 2.535 3.624 ( 0.554 -2.141 0.953) 2.408 3.708 ( 5.262 3.027 -0.806) 6.124 3.752 ( 1.209 2.128 -1.372) 2.806 3.791 ( 1.336 5.397 1.782) 5.838 3.816 ( -1.457 4.454 1.182) 4.833 3.890 ( 2.607 5.271 -0.604) 5.911 3.946 ( -1.998 3.881 -0.680) 4.417 3.956 ( 4.781 4.970 3.123) 7.571 4.021 ( 1.953 1.978 2.329) 3.626 4.057 ( -4.197 3.142 0.689) 5.288 4.102 ( -3.352 2.633 5.868) 7.252 4.193 ( 4.212 -2.973 -1.409) 5.345 4.242 ( 1.407 -0.383 0.739) 1.634 4.265 ( 4.781 -1.684 -0.009) 5.069 4.273 ( 2.547 -1.206 2.962) 4.088 4.325 ( -0.515 -2.131 2.556) 3.367 4.364 ( 1.929 0.196 1.589) 2.507 4.377 ( 2.939 3.561 -0.271) 4.626 4.396 ( -0.298 1.608 2.111) 2.670 4.433 ( 4.438 -0.046 2.419) 5.055 4.469 ( -1.185 0.221 1.665) 2.055 4.511 ( 1.129 -1.717 2.535) 3.263 4.533 ( -1.153 1.225 0.657) 1.806 4.625 ( 1.559 2.916 0.499) 3.344 4.670 ( 0.510 -0.316 2.396) 2.470 4.699 ( -1.192 0.190 1.066) 1.610 4.735 ( 4.834 3.698 -1.141) 6.193 4.770 ( 0.337 0.470 3.513) 3.560 4.820 ( 3.286 -2.100 -1.044) 4.037 4.852 ( 1.637 -0.618 -1.413) 2.249 4.913 ( 3.839 1.541 -1.706) 4.475 4.930 ( 0.507 -0.430 2.071) 2.175 4.954 ( -0.380 -1.405 -0.206) 1.470 4.964 ( -0.100 0.401 -0.886) 0.978 4.991 ( -1.519 0.194 0.705) 1.686 5.006 ( -0.788 -0.266 -2.400) 2.540 5.032 ( 6.202 1.076 -1.004) 6.374 5.066 ( 1.786 0.591 0.613) 1.979 5.089 ( 3.116 3.824 -2.746) 5.645 5.129 ( -4.006 1.066 -1.666) 4.468 5.170 ( -3.144 3.571 1.025) 4.867 5.196 ( 2.028 0.652 0.834) 2.288 5.209 ( -2.477 0.279 -0.228) 2.503 5.256 ( -3.591 1.069 -0.833) 3.838 5.293 ( 6.928 0.003 -0.393) 6.939 5.313 ( 1.497 0.695 -2.136) 2.700 5.367 ( -0.443 -1.162 -1.377) 1.856 5.414 ( 0.490 -0.071 -3.408) 3.444 5.461 ( 0.547 -4.035 0.712) 4.134 5.499 ( -4.764 -3.701 -4.290) 7.403 5.575 ( -6.268 -1.993 -2.358) 6.987 5.598 ( -4.400 -0.930 0.750) 4.560 5.612 ( -8.510 -2.940 0.145) 9.004 5.705 ( -1.571 -1.913 -1.188) 2.746 5.723 ( 0.495 -0.935 1.184) 1.587 5.762 ( 3.211 -2.048 -0.156) 3.811 5.774 ( -1.425 1.492 2.027) 2.892 5.845 ( -1.758 -0.624 -0.625) 1.967 5.874 ( -1.390 0.068 1.171) 1.818 5.906 ( -5.031 -0.218 -1.614) 5.288 5.962 ( -1.941 -1.943 -1.201) 2.997 6.002 ( -5.578 -4.688 -2.864) 7.829 6.052 ( -6.914 -0.491 -1.818) 7.166 6.110 ( 2.171 0.831 -5.355) 5.838 6.156 ( -3.250 1.178 -4.091) 5.356 6.184 ( 2.186 -5.269 0.554) 5.732 6.213 ( -0.080 -3.304 -0.194) 3.310 6.259 ( 0.301 -0.886 0.174) 0.952 6.286 ( 2.286 -0.652 2.189) 3.231 6.336 ( -0.742 -0.426 3.488) 3.591 6.355 ( -3.067 -2.901 -0.639) 4.270 6.386 ( -2.362 -2.459 0.166) 3.414 6.405 ( -1.877 -3.966 1.705) 4.708 6.423 ( -2.323 -3.520 0.121) 4.219 6.469 ( -3.855 -4.223 1.854) 6.011 6.509 ( 2.827 -3.530 -2.316) 5.081 6.584 ( -0.647 -4.368 -0.826) 4.492 6.644 ( -1.805 0.944 -3.966) 4.458 6.669 ( 0.336 -1.837 -2.774) 3.344 6.729 ( 0.027 5.653 -0.696) 5.695 6.735 ( 0.484 1.268 0.339) 1.399 6.789 ( 2.266 5.443 -0.024) 5.896 6.818 ( -0.419 2.402 0.875) 2.591 6.850 ( 1.715 -2.465 4.554) 5.455 6.906 ( -2.078 0.133 3.535) 4.102 6.943 ( 3.118 2.436 -1.624) 4.277 7.018 ( -3.023 3.501 -0.341) 4.638 7.057 ( 4.149 2.635 -2.168) 5.372 7.104 ( 0.020 3.570 -2.371) 4.285 7.158 ( 1.858 3.507 2.161) 4.519 7.181 ( 2.419 5.206 2.425) 6.232 7.205 ( 2.603 3.664 -1.088) 4.624 7.219 ( 0.839 1.911 3.367) 3.961 7.243 ( 1.361 1.697 2.543) 3.346 7.295 ( 0.414 2.718 2.796) 3.922 7.332 ( -5.530 2.107 -1.100) 6.019 7.343 ( -2.258 2.150 1.213) 3.346 7.481 ( 1.090 -0.885 3.297) 3.583 7.500 ( 3.202 -0.131 -2.294) 3.941 7.528 ( -2.458 -2.086 1.024) 3.383 7.572 ( -3.424 0.851 -3.877) 5.242 7.590 ( 5.615 0.768 -1.623) 5.895 7.651 ( 2.443 0.943 -0.478) 2.662 7.684 ( -0.026 -2.123 -0.844) 2.285 7.712 ( -0.896 0.542 -1.701) 1.997 7.748 ( -0.259 0.815 -1.806) 1.999 7.792 ( -1.768 -2.344 -2.037) 3.573 7.823 ( -0.939 -1.963 2.161) 3.067 7.828 ( -1.178 -1.653 -0.602) 2.117 7.873 ( 2.994 -0.744 -1.124) 3.284 7.925 ( -1.317 -1.258 0.287) 1.844 7.930 ( 5.212 -3.152 -2.654) 6.644 8.030 ( -1.109 -5.540 -1.400) 5.821 8.050 ( 0.608 -2.161 -0.828) 2.392 8.062 ( -1.827 -3.690 -3.937) 5.697 8.163 ( 1.266 -4.825 -0.151) 4.991 8.172 ( 1.549 -3.780 -0.773) 4.158 8.195 ( -0.385 -4.915 -1.505) 5.154 8.216 ( 4.006 -3.420 -0.800) 5.327 8.247 ( -2.044 -5.949 -0.842) 6.347 8.270 ( -1.705 -0.325 0.958) 1.983 8.344 ( 1.671 0.612 0.441) 1.833 8.367 ( -0.446 -1.526 -0.242) 1.608 8.442 ( 1.783 -0.862 -1.490) 2.478 8.481 ( -2.026 -2.217 -1.770) 3.487 8.512 ( 3.414 1.952 -0.474) 3.961 8.554 ( 0.583 5.686 2.756) 6.346 8.583 ( -0.346 4.538 0.412) 4.570 8.611 ( -4.094 3.697 0.933) 5.595 8.688 ( 7.519 -0.747 0.471) 7.570 8.757 ( -0.808 -0.088 -1.536) 1.738 8.766 ( 3.032 2.686 0.255) 4.059 8.861 ( 2.997 0.727 -0.351) 3.103 8.895 ( 0.600 2.061 -1.194) 2.456 8.925 ( -8.050 1.207 -1.193) 8.228 8.970 ( -1.863 1.543 1.311) 2.752 9.011 ( -4.455 1.953 0.340) 4.876 9.099 ( 2.872 -2.109 -0.369) 3.582 9.123 ( 0.270 -1.749 1.727) 2.473 9.166 ( 0.545 -0.031 1.120) 1.246 9.186 ( 0.568 1.092 2.781) 3.041 9.210 ( 1.195 -0.634 3.448) 3.704 9.256 ( -1.877 -0.049 3.192) 3.703 9.260 ( -3.457 -2.363 4.248) 5.965 9.290 ( -2.077 -1.911 2.896) 4.044 9.364 ( -0.806 1.584 0.496) 1.845 9.397 ( -3.963 2.256 1.416) 4.775 9.545 ( 0.653 -1.296 -3.156) 3.474 9.560 ( -0.871 -0.955 -2.452) 2.772 9.599 ( 2.496 3.185 -2.745) 4.890 9.642 ( -1.368 5.402 -2.501) 6.108 9.767 ( 1.719 0.336 -5.184) 5.472 9.788 ( -0.491 1.110 -4.243) 4.413 9.888 ( 3.376 1.368 1.005) 3.779 9.908 ( 2.974 1.492 2.386) 4.094 9.945 ( 0.837 2.266 3.578) 4.317 9.969 ( 1.725 0.336 3.290) 3.730 9.990 ( -1.977 0.864 3.356) 3.990 10.032 ( -1.212 -1.664 3.926) 4.433 10.054 ( 1.881 0.879 1.321) 2.461 10.079 ( -0.836 1.197 2.433) 2.837 10.220 ( 1.509 -0.242 -1.059) 1.859 10.243 ( -0.340 -0.059 0.189) 0.394 10.279 ( 0.891 1.325 -0.694) 1.741 10.298 ( -0.790 0.891 0.996) 1.552 10.504 ( 3.446 -2.277 -0.671) 4.185 10.555 ( -1.635 -3.301 0.049) 3.684 10.661 ( 3.844 0.985 -2.268) 4.571 10.732 ( -1.890 -2.370 -4.690) 5.584 10.779 ( 0.860 1.989 2.171) 3.068 10.784 ( -0.742 4.675 3.939) 6.159 10.988 ( 3.705 -1.113 4.139) 5.665 11.051 ( -1.553 3.573 -1.849) 4.312 11.138 ( 1.273 1.004 2.828) 3.260 11.223 ( -5.933 -0.177 0.286) 5.943 11.454 ( 1.373 -3.401 -4.070) 5.478 11.481 ( -1.191 -3.598 -3.830) 5.388 13.959 ( 1.284 2.499 1.141) 3.033 13.981 ( -1.040 1.835 2.581) 3.333 14.061 ( 3.501 2.541 -0.814) 4.402 14.118 ( -1.849 0.864 -0.131) 2.046 14.167 ( 0.697 -2.214 1.692) 2.872 14.188 ( -1.555 -0.651 1.372) 2.173 14.248 ( 4.641 -1.795 -1.019) 5.079 14.304 ( 3.531 1.037 2.304) 4.342 14.358 ( -2.179 0.273 -2.408) 3.259 14.418 ( -3.042 2.658 2.845) 4.941 14.489 ( 4.361 2.078 -0.307) 4.841 14.606 ( -4.344 -0.000 -0.509) 4.374 14.703 ( 3.637 -4.462 0.851) 5.819 14.785 ( -2.793 -7.009 4.358) 8.713 14.845 ( 7.043 -6.172 -2.020) 9.580 14.988 ( -6.748 -4.810 -0.153) 8.288 15.094 ( -0.378 5.017 -1.098) 5.150 15.139 ( -4.974 7.614 1.302) 9.187 15.181 ( 1.922 5.271 -3.199) 6.459 15.245 ( -4.691 4.265 -0.841) 6.395 15.606 ( 0.994 0.228 2.078) 2.315 15.633 ( -1.824 0.833 0.883) 2.191 15.838 ( 4.809 -4.121 -4.721) 7.900 15.913 ( -2.951 -5.137 -5.336) 7.973 16.203 ( 1.234 -0.856 1.093) 1.857 16.215 ( 0.075 -0.505 0.720) 0.883 16.229 ( 1.604 -0.656 0.096) 1.735 16.253 ( -0.745 -0.582 0.212) 0.969 16.312 ( 0.555 -0.030 -0.313) 0.638 16.329 ( 2.087 -0.182 -1.681) 2.686 16.344 ( -2.054 -0.100 -0.027) 2.056 16.378 ( -2.480 -1.009 -1.363) 3.004 ======================= Grid point 35 (16/27) ======================= q-point: ( 0.00 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( 0.000 25.602 12.529) 28.503 1.268 ( 0.000 22.928 14.990) 27.394 1.689 ( 0.000 -20.334 9.144) 22.295 1.738 ( 0.000 -23.371 9.248) 25.134 2.041 ( 0.000 39.457 14.300) 41.969 2.243 ( 0.000 9.218 -13.020) 15.953 2.328 ( 0.000 9.613 -15.650) 18.367 2.399 ( 0.000 -6.729 -9.562) 11.693 2.513 ( 0.000 -8.955 -11.492) 14.569 2.514 ( 0.000 0.803 -0.247) 0.840 2.587 ( 0.000 -5.231 -0.382) 5.245 2.616 ( 0.000 -2.506 -2.485) 3.530 2.619 ( 0.000 -0.426 -1.259) 1.329 2.698 ( 0.000 -22.634 3.889) 22.965 2.773 ( 0.000 0.302 1.621) 1.648 2.786 ( 0.000 -1.046 -0.139) 1.055 2.843 ( 0.000 2.978 4.103) 5.070 2.844 ( 0.000 5.405 3.428) 6.401 2.939 ( 0.000 -2.582 0.075) 2.583 2.971 ( 0.000 -3.047 -3.405) 4.569 2.988 ( 0.000 -2.540 -1.006) 2.732 3.005 ( 0.000 -2.253 -3.672) 4.308 3.100 ( 0.000 0.633 4.953) 4.994 3.139 ( 0.000 -2.380 3.383) 4.137 3.278 ( 0.000 5.457 2.563) 6.029 3.381 ( 0.000 -5.013 3.917) 6.362 3.492 ( 0.000 4.829 4.120) 6.348 3.504 ( 0.000 1.907 -4.043) 4.470 3.530 ( 0.000 -0.023 -4.913) 4.913 3.601 ( 0.000 -5.667 2.144) 6.059 3.654 ( 0.000 2.964 0.597) 3.023 3.692 ( 0.000 -0.322 1.799) 1.827 3.720 ( 0.000 5.021 -6.253) 8.020 3.746 ( 0.000 1.391 -1.692) 2.190 3.781 ( 0.000 1.967 4.019) 4.474 3.798 ( 0.000 2.455 -2.071) 3.211 3.840 ( 0.000 3.657 1.643) 4.009 3.861 ( 0.000 -1.974 1.328) 2.379 3.923 ( 0.000 3.443 -0.563) 3.488 4.003 ( 0.000 0.028 0.295) 0.296 4.009 ( 0.000 -5.944 -1.178) 6.059 4.046 ( 0.000 -4.255 1.762) 4.606 4.115 ( 0.000 1.898 2.884) 3.452 4.131 ( 0.000 0.909 -3.737) 3.846 4.189 ( 0.000 0.297 1.248) 1.283 4.242 ( 0.000 -3.008 -1.506) 3.364 4.315 ( 0.000 3.411 -0.038) 3.412 4.360 ( 0.000 3.435 5.166) 6.204 4.382 ( 0.000 -1.453 2.675) 3.044 4.441 ( 0.000 -4.257 0.711) 4.316 4.462 ( 0.000 4.583 5.829) 7.414 4.491 ( 0.000 2.122 3.593) 4.173 4.506 ( 0.000 1.798 0.074) 1.800 4.539 ( 0.000 -0.461 -2.604) 2.645 4.582 ( 0.000 1.941 -0.209) 1.952 4.642 ( 0.000 0.808 0.908) 1.215 4.645 ( 0.000 4.742 2.779) 5.496 4.674 ( 0.000 -5.665 2.188) 6.073 4.688 ( 0.000 -1.626 0.798) 1.812 4.716 ( 0.000 -4.250 2.814) 5.097 4.747 ( 0.000 0.394 -1.837) 1.879 4.803 ( 0.000 -3.495 -0.577) 3.542 4.839 ( 0.000 4.358 1.868) 4.742 4.910 ( 0.000 -2.401 -0.767) 2.520 4.926 ( 0.000 1.995 1.375) 2.423 4.927 ( 0.000 2.366 0.307) 2.386 4.963 ( 0.000 -2.039 -1.663) 2.632 4.980 ( 0.000 -1.140 1.535) 1.912 5.039 ( 0.000 2.440 2.927) 3.811 5.103 ( 0.000 6.230 2.129) 6.584 5.129 ( 0.000 4.002 -0.984) 4.121 5.132 ( 0.000 -4.707 2.924) 5.542 5.206 ( 0.000 4.606 2.237) 5.121 5.208 ( 0.000 -4.074 0.609) 4.119 5.263 ( 0.000 2.654 1.292) 2.952 5.382 ( 0.000 2.279 -2.708) 3.539 5.408 ( 0.000 9.475 -5.686) 11.050 5.435 ( 0.000 -2.890 0.083) 2.891 5.526 ( 0.000 1.497 -0.532) 1.589 5.545 ( 0.000 0.185 -3.357) 3.362 5.546 ( 0.000 -6.244 -3.156) 6.996 5.599 ( 0.000 3.292 -1.510) 3.622 5.644 ( 0.000 -5.806 -3.184) 6.621 5.719 ( 0.000 -6.366 -0.904) 6.430 5.744 ( 0.000 1.479 -0.541) 1.574 5.825 ( 0.000 0.390 -7.218) 7.229 5.864 ( 0.000 -4.521 -5.185) 6.879 5.864 ( 0.000 -5.288 0.364) 5.301 5.918 ( 0.000 5.650 0.879) 5.718 6.000 ( 0.000 -6.093 -1.502) 6.276 6.005 ( 0.000 -0.668 1.077) 1.267 6.021 ( 0.000 4.222 2.734) 5.030 6.053 ( 0.000 -2.068 -0.348) 2.097 6.088 ( 0.000 -5.184 6.902) 8.632 6.101 ( 0.000 -5.288 2.623) 5.902 6.149 ( 0.000 -2.517 -3.660) 4.441 6.154 ( 0.000 -5.725 -1.516) 5.923 6.167 ( 0.000 -0.428 -2.997) 3.027 6.293 ( 0.000 1.994 -0.264) 2.012 6.307 ( 0.000 0.126 -1.154) 1.161 6.368 ( 0.000 0.160 -3.451) 3.455 6.395 ( 0.000 -2.691 -1.132) 2.919 6.443 ( 0.000 2.920 -0.176) 2.926 6.474 ( 0.000 0.366 0.696) 0.787 6.500 ( 0.000 0.330 -1.566) 1.600 6.527 ( 0.000 -3.435 0.111) 3.437 6.543 ( 0.000 4.558 -1.664) 4.852 6.578 ( 0.000 4.622 2.328) 5.175 6.623 ( 0.000 5.580 2.512) 6.120 6.630 ( 0.000 -2.211 -0.058) 2.212 6.698 ( 0.000 -4.436 1.038) 4.556 6.736 ( 0.000 -6.067 2.699) 6.640 6.766 ( 0.000 5.201 0.580) 5.233 6.829 ( 0.000 -1.126 -1.335) 1.746 6.867 ( 0.000 -1.881 -1.684) 2.525 6.897 ( 0.000 -3.528 -5.105) 6.206 6.958 ( 0.000 5.946 -0.017) 5.946 7.030 ( 0.000 9.964 1.305) 10.050 7.061 ( 0.000 -4.380 5.411) 6.961 7.067 ( 0.000 8.946 1.458) 9.064 7.100 ( 0.000 -3.324 1.657) 3.714 7.149 ( 0.000 4.536 0.888) 4.622 7.210 ( 0.000 -3.397 1.270) 3.626 7.298 ( 0.000 3.625 0.882) 3.731 7.306 ( 0.000 -4.277 1.523) 4.540 7.350 ( 0.000 5.270 -0.282) 5.277 7.353 ( 0.000 6.321 -0.028) 6.321 7.382 ( 0.000 -2.659 -2.504) 3.653 7.439 ( 0.000 -3.637 -3.955) 5.373 7.472 ( 0.000 -4.656 -4.200) 6.271 7.502 ( 0.000 -1.751 0.364) 1.789 7.505 ( 0.000 1.179 0.940) 1.508 7.615 ( 0.000 5.503 -2.506) 6.047 7.669 ( 0.000 -3.927 -2.300) 4.551 7.674 ( 0.000 0.255 -3.753) 3.762 7.727 ( 0.000 -1.424 0.609) 1.549 7.752 ( 0.000 -1.402 0.141) 1.409 7.784 ( 0.000 -2.950 -4.025) 4.991 7.801 ( 0.000 4.300 -3.003) 5.244 7.839 ( 0.000 0.187 1.010) 1.027 7.853 ( 0.000 0.814 0.937) 1.241 7.868 ( 0.000 -1.349 -1.050) 1.709 7.892 ( 0.000 -1.479 -0.680) 1.628 7.914 ( 0.000 -5.253 -3.599) 6.368 8.004 ( 0.000 1.011 3.830) 3.961 8.039 ( 0.000 -0.899 2.000) 2.193 8.067 ( 0.000 -3.306 -3.207) 4.606 8.102 ( 0.000 3.505 0.748) 3.584 8.109 ( 0.000 -4.581 -2.157) 5.063 8.114 ( 0.000 4.503 0.013) 4.503 8.198 ( 0.000 -4.858 -0.649) 4.901 8.212 ( 0.000 -3.393 -1.107) 3.569 8.314 ( 0.000 0.954 0.959) 1.353 8.314 ( 0.000 2.570 3.409) 4.269 8.383 ( 0.000 -0.760 4.983) 5.040 8.418 ( 0.000 -6.528 2.851) 7.124 8.495 ( 0.000 3.359 -5.110) 6.115 8.532 ( 0.000 3.311 -2.869) 4.381 8.567 ( 0.000 -2.902 -3.305) 4.398 8.581 ( 0.000 -1.648 -0.516) 1.726 8.747 ( 0.000 2.405 2.595) 3.538 8.781 ( 0.000 -0.350 2.086) 2.116 8.825 ( 0.000 1.500 3.567) 3.869 8.833 ( 0.000 1.399 3.892) 4.136 8.909 ( 0.000 2.345 5.511) 5.989 8.924 ( 0.000 1.464 -2.468) 2.870 8.992 ( 0.000 -0.768 0.085) 0.773 9.000 ( 0.000 -2.628 6.826) 7.314 9.162 ( 0.000 1.301 -5.054) 5.219 9.171 ( 0.000 1.602 -2.944) 3.351 9.197 ( 0.000 -0.473 4.671) 4.695 9.220 ( 0.000 -0.634 1.941) 2.042 9.226 ( 0.000 2.848 0.459) 2.885 9.280 ( 0.000 -2.758 1.224) 3.017 9.359 ( 0.000 0.228 0.969) 0.996 9.416 ( 0.000 -4.506 0.743) 4.566 9.496 ( 0.000 5.744 -2.233) 6.163 9.578 ( 0.000 4.095 -0.712) 4.156 9.597 ( 0.000 -4.687 -3.021) 5.576 9.607 ( 0.000 1.977 -1.575) 2.528 9.667 ( 0.000 1.663 -0.152) 1.670 9.688 ( 0.000 -1.080 2.386) 2.619 9.734 ( 0.000 0.535 1.749) 1.829 9.736 ( 0.000 -1.104 3.389) 3.564 9.807 ( 0.000 3.099 -1.194) 3.321 9.821 ( 0.000 1.530 -1.961) 2.487 9.833 ( 0.000 2.006 0.719) 2.131 9.885 ( 0.000 -2.755 -1.982) 3.394 9.911 ( 0.000 2.417 0.401) 2.450 10.000 ( 0.000 -6.123 1.837) 6.393 10.025 ( 0.000 4.076 5.385) 6.754 10.089 ( 0.000 -2.766 4.093) 4.940 10.195 ( 0.000 3.466 -3.406) 4.859 10.201 ( 0.000 1.175 -1.661) 2.035 10.304 ( 0.000 -0.394 1.831) 1.873 10.337 ( 0.000 -0.732 -3.537) 3.612 10.396 ( 0.000 2.428 -2.889) 3.774 10.468 ( 0.000 -4.830 -2.645) 5.507 10.525 ( 0.000 0.858 0.963) 1.289 10.599 ( 0.000 -5.428 -3.276) 6.340 10.821 ( 0.000 2.789 8.936) 9.361 10.858 ( 0.000 -1.293 9.159) 9.250 11.110 ( 0.000 9.395 -0.375) 9.402 11.182 ( 0.000 8.215 -3.650) 8.989 11.271 ( 0.000 -6.275 0.315) 6.283 11.272 ( 0.000 2.725 -2.719) 3.850 11.352 ( 0.000 -4.763 -2.447) 5.355 11.385 ( 0.000 -5.277 -1.949) 5.626 13.987 ( 0.000 3.885 -0.150) 3.888 14.012 ( 0.000 4.058 -0.400) 4.077 14.062 ( 0.000 -4.166 0.048) 4.166 14.079 ( 0.000 -2.541 -0.274) 2.556 14.085 ( 0.000 2.690 4.139) 4.936 14.142 ( 0.000 -0.181 2.548) 2.555 14.152 ( 0.000 -3.141 3.567) 4.752 14.163 ( 0.000 -1.551 5.349) 5.569 14.386 ( 0.000 2.126 -5.898) 6.269 14.415 ( 0.000 -0.548 -4.643) 4.675 14.498 ( 0.000 2.727 -5.052) 5.742 14.584 ( 0.000 -5.661 -4.397) 7.168 14.617 ( 0.000 4.586 6.425) 7.894 14.711 ( 0.000 -5.230 7.434) 9.089 14.960 ( 0.000 5.943 3.494) 6.894 15.042 ( 0.000 -2.869 5.181) 5.923 15.177 ( 0.000 2.299 -3.546) 4.226 15.206 ( 0.000 0.645 -8.333) 8.358 15.365 ( 0.000 -1.342 -1.524) 2.031 15.404 ( 0.000 -4.018 -3.412) 5.271 15.661 ( 0.000 1.359 1.101) 1.748 15.674 ( 0.000 -0.116 0.517) 0.530 15.778 ( 0.000 3.178 -1.639) 3.576 15.834 ( 0.000 -2.757 -3.207) 4.229 16.139 ( 0.000 1.795 1.254) 2.190 16.170 ( 0.000 -1.498 0.352) 1.539 16.201 ( 0.000 1.044 -0.988) 1.438 16.229 ( 0.000 -1.794 -2.173) 2.818 16.300 ( 0.000 0.651 1.272) 1.429 16.318 ( 0.000 -1.125 1.026) 1.522 16.405 ( 0.000 0.571 -0.723) 0.921 16.417 ( 0.000 -0.673 -0.869) 1.099 ======================= Grid point 36 (17/27) ======================= q-point: ( 0.20 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( 11.331 20.652 11.528) 26.225 1.428 ( 13.520 22.397 10.072) 28.033 1.750 ( 7.018 -18.949 6.866) 21.342 1.845 ( 9.219 -20.413 7.641) 23.666 2.175 ( 11.321 29.088 10.064) 32.796 2.206 ( -3.896 8.678 -8.377) 12.676 2.324 ( -4.250 6.511 -7.322) 10.680 2.360 ( -3.039 -3.925 -8.544) 9.881 2.398 ( -9.606 1.215 -2.146) 9.918 2.475 ( -3.460 -4.651 -7.644) 9.594 2.505 ( -7.026 -3.791 -1.492) 8.122 2.554 ( -3.622 -1.509 -3.679) 5.379 2.573 ( -3.576 -2.578 -1.771) 4.751 2.651 ( -7.339 -0.879 -0.846) 7.440 2.693 ( -5.076 -3.162 -2.214) 6.377 2.708 ( -9.085 -1.543 -1.663) 9.364 2.727 ( -5.066 -3.319 -2.867) 6.701 2.816 ( 4.458 -15.468 5.793) 17.108 2.993 ( 2.468 1.784 -0.162) 3.050 3.016 ( 2.913 2.050 1.288) 3.787 3.028 ( 1.692 -0.423 -0.296) 1.769 3.090 ( 3.911 -0.911 0.880) 4.111 3.144 ( 1.187 -0.992 0.234) 1.564 3.147 ( 4.657 -1.228 1.548) 5.059 3.335 ( 3.952 2.435 1.496) 4.877 3.389 ( 0.727 -3.159 1.166) 3.444 3.476 ( -1.583 2.207 2.111) 3.440 3.519 ( -1.436 -0.920 -0.844) 1.903 3.554 ( -0.368 -0.504 -4.146) 4.193 3.560 ( -2.998 -2.209 -1.141) 3.895 3.645 ( -1.670 3.002 -1.002) 3.578 3.665 ( -3.418 0.926 -0.978) 3.673 3.720 ( 4.369 5.270 1.268) 6.962 3.782 ( 1.718 0.483 -0.875) 1.988 3.821 ( 3.612 2.696 7.744) 8.960 3.836 ( 2.937 3.282 2.584) 5.106 3.871 ( 6.655 0.760 2.938) 7.314 3.900 ( 2.065 -1.152 1.026) 2.578 3.991 ( 4.433 0.748 0.061) 4.497 4.015 ( -0.272 -1.676 -1.540) 2.292 4.060 ( 7.028 -0.002 -0.729) 7.066 4.065 ( 5.366 -0.106 -2.102) 5.764 4.161 ( 1.005 1.473 3.870) 4.261 4.174 ( 1.100 -0.021 2.414) 2.653 4.224 ( 3.131 1.497 1.130) 3.650 4.269 ( 0.293 -2.882 0.828) 3.013 4.288 ( -1.131 4.912 1.481) 5.253 4.338 ( -0.345 0.610 4.600) 4.653 4.362 ( 1.193 -1.472 3.257) 3.768 4.378 ( -1.547 -2.266 4.014) 4.862 4.439 ( -2.068 1.957 0.905) 2.987 4.472 ( -0.241 -0.259 2.119) 2.149 4.531 ( -1.627 2.760 -1.483) 3.530 4.577 ( -0.395 1.991 -1.350) 2.437 4.603 ( 0.871 0.754 1.819) 2.153 4.613 ( 2.740 -1.265 0.206) 3.025 4.669 ( 2.918 1.078 1.283) 3.365 4.704 ( 3.558 1.261 1.477) 4.053 4.721 ( 0.988 -4.738 -0.288) 4.849 4.750 ( 3.503 -3.351 3.637) 6.061 4.833 ( 4.035 0.118 -0.639) 4.087 4.840 ( 4.845 -0.501 -2.388) 5.425 4.889 ( 3.251 0.958 1.755) 3.817 4.904 ( 2.808 -0.118 1.052) 3.001 4.954 ( 1.806 1.537 2.058) 3.140 4.968 ( 2.390 0.656 -1.491) 2.892 4.975 ( 2.483 -0.058 0.475) 2.529 5.006 ( 2.848 0.839 0.124) 2.972 5.056 ( 0.916 3.611 0.816) 3.813 5.087 ( -0.375 5.781 0.667) 5.832 5.142 ( 1.240 -3.378 -0.117) 3.601 5.172 ( -0.165 -1.405 1.919) 2.384 5.182 ( 1.762 0.425 -0.356) 1.848 5.230 ( 1.045 -0.358 -0.560) 1.238 5.268 ( 0.987 3.783 1.865) 4.332 5.333 ( -2.860 3.381 -2.348) 5.013 5.394 ( -3.685 1.215 0.075) 3.880 5.441 ( -0.644 5.709 -3.636) 6.799 5.493 ( -4.473 -3.673 -3.910) 6.985 5.515 ( 0.077 -0.496 -2.534) 2.583 5.541 ( -2.208 -1.138 -2.235) 3.342 5.598 ( -4.498 4.186 -1.345) 6.290 5.621 ( -0.868 -0.642 -1.181) 1.600 5.652 ( -3.963 -5.845 -2.928) 7.645 5.676 ( -4.732 -3.145 -0.595) 5.713 5.763 ( -8.662 -5.675 0.600) 10.373 5.784 ( -3.648 0.732 -2.920) 4.729 5.848 ( -2.418 -4.771 -4.135) 6.761 5.865 ( -9.786 -0.441 0.235) 9.799 5.894 ( -1.371 0.621 -0.906) 1.757 5.972 ( -4.479 -2.107 3.247) 5.920 5.981 ( -6.143 -2.725 -0.333) 6.729 6.006 ( -3.160 -3.765 -2.156) 5.368 6.019 ( 0.300 -4.073 -0.143) 4.087 6.136 ( -0.260 1.504 -3.025) 3.389 6.173 ( 2.864 -0.069 -2.871) 4.056 6.193 ( -1.113 -2.114 -4.016) 4.672 6.208 ( 0.778 -5.370 -2.058) 5.803 6.244 ( -1.954 2.576 1.359) 3.507 6.276 ( -0.473 -0.849 2.637) 2.810 6.366 ( -2.693 2.410 -1.377) 3.867 6.392 ( -3.599 0.547 1.158) 3.820 6.403 ( -2.386 1.885 -1.649) 3.459 6.429 ( -3.333 0.690 2.141) 4.021 6.443 ( -3.506 -1.529 -1.671) 4.174 6.480 ( -3.297 -1.007 0.727) 3.523 6.507 ( -3.218 -3.785 1.793) 5.282 6.526 ( -6.243 -2.481 0.821) 6.768 6.611 ( 3.286 3.160 0.950) 4.657 6.675 ( -0.848 1.137 -0.851) 1.654 6.690 ( -2.429 -4.206 0.440) 4.877 6.731 ( 1.797 -3.001 0.987) 3.634 6.790 ( 2.156 2.480 1.131) 3.475 6.816 ( 1.880 0.797 0.925) 2.241 6.914 ( 1.322 2.137 -1.834) 3.111 6.949 ( 3.445 -0.627 -1.196) 3.700 7.008 ( 1.811 6.994 0.174) 7.227 7.045 ( 4.034 6.697 2.140) 8.105 7.074 ( 1.921 0.295 2.069) 2.839 7.112 ( 4.787 -0.824 1.625) 5.122 7.131 ( 0.739 3.060 -0.839) 3.258 7.185 ( 3.575 -1.206 0.002) 3.773 7.226 ( 0.080 1.283 1.097) 1.690 7.236 ( -0.596 1.124 1.512) 1.976 7.289 ( -0.970 3.051 2.647) 4.154 7.353 ( 0.106 3.090 -1.768) 3.562 7.365 ( 0.831 2.879 1.293) 3.264 7.401 ( 0.525 0.547 -1.910) 2.055 7.443 ( 0.506 -1.151 -1.072) 1.652 7.485 ( 0.647 -5.250 0.348) 5.301 7.519 ( 0.364 -0.372 -0.461) 0.695 7.545 ( 3.702 -2.236 -1.886) 4.718 7.566 ( -1.675 3.807 -0.502) 4.189 7.657 ( -2.021 -1.297 -3.808) 4.502 7.676 ( -1.278 -1.948 -3.293) 4.034 7.705 ( -1.106 0.556 -0.341) 1.284 7.740 ( -1.219 -2.686 -0.497) 2.991 7.765 ( -0.305 -2.701 0.033) 2.718 7.812 ( -1.254 1.523 -2.935) 3.537 7.818 ( -0.109 -1.788 -3.540) 3.968 7.856 ( 0.347 -0.583 0.525) 0.858 7.869 ( 2.322 -1.237 -3.056) 4.033 7.915 ( 0.546 0.337 0.543) 0.840 7.947 ( 1.603 -1.357 -2.598) 3.341 7.992 ( -1.508 -1.089 -0.513) 1.929 8.016 ( -1.461 -2.237 0.010) 2.672 8.069 ( -0.990 0.385 -0.124) 1.070 8.095 ( 2.306 0.768 2.350) 3.381 8.124 ( 0.869 0.215 -0.760) 1.174 8.143 ( 1.671 -3.743 -0.785) 4.173 8.172 ( -2.175 -2.566 0.438) 3.392 8.244 ( -0.072 -5.402 -1.338) 5.566 8.342 ( 2.412 2.443 2.359) 4.165 8.347 ( 2.971 0.743 1.551) 3.433 8.383 ( 1.384 -0.671 3.820) 4.118 8.426 ( 0.320 -4.411 3.033) 5.363 8.510 ( 0.965 2.430 -4.179) 4.930 8.540 ( 0.750 -0.000 -3.689) 3.764 8.598 ( 5.006 2.832 -2.002) 6.090 8.643 ( 4.832 -1.056 -2.664) 5.618 8.733 ( -0.469 3.803 1.831) 4.247 8.778 ( -2.015 1.723 -0.425) 2.685 8.807 ( 0.119 -0.780 3.983) 4.060 8.834 ( -2.819 -0.892 0.792) 3.061 8.914 ( 3.254 3.475 2.313) 5.293 8.977 ( -0.799 -1.763 1.326) 2.346 8.984 ( 3.489 1.387 3.092) 4.864 9.011 ( 1.426 -1.715 5.353) 5.799 9.120 ( -4.015 1.246 -2.180) 4.735 9.135 ( -3.348 0.000 -3.450) 4.808 9.195 ( -1.092 0.817 3.496) 3.752 9.211 ( -0.883 1.850 -1.041) 2.299 9.227 ( -0.407 0.087 0.823) 0.923 9.255 ( -2.716 -4.110 1.908) 5.283 9.300 ( -4.003 0.093 1.731) 4.363 9.329 ( -5.387 -1.504 2.186) 6.005 9.498 ( -5.626 4.299 1.663) 7.273 9.529 ( -1.435 0.203 -1.975) 2.450 9.538 ( -5.720 0.204 -1.099) 5.828 9.568 ( -3.733 -2.527 0.278) 4.516 9.620 ( 2.131 4.571 -1.757) 5.341 9.690 ( 2.179 -2.338 -2.465) 4.036 9.757 ( 1.871 4.444 -0.962) 4.917 9.812 ( 1.419 -0.241 -3.125) 3.441 9.840 ( 3.818 2.800 0.720) 4.789 9.860 ( 3.293 1.012 1.373) 3.709 9.887 ( 3.412 -1.663 -0.280) 3.806 9.907 ( 3.508 -2.712 1.148) 4.580 9.974 ( 4.640 2.483 1.437) 5.455 10.023 ( 2.872 -1.254 4.206) 5.245 10.050 ( 0.117 1.028 5.589) 5.684 10.090 ( -0.470 -2.626 4.219) 4.992 10.200 ( 1.109 1.709 -2.211) 3.007 10.213 ( 1.248 0.829 -1.900) 2.420 10.296 ( -0.621 0.097 1.660) 1.775 10.314 ( -1.161 0.007 -0.651) 1.330 10.460 ( 4.627 3.383 -3.945) 6.958 10.500 ( 2.589 -2.126 -2.840) 4.392 10.562 ( 3.443 -1.877 -2.271) 4.531 10.613 ( 1.443 -5.475 -3.180) 6.494 10.823 ( 0.481 3.246 8.200) 8.833 10.874 ( 1.652 -1.938 8.345) 8.725 11.035 ( -6.384 8.474 1.560) 10.724 11.164 ( -5.796 -2.318 -0.474) 6.261 11.203 ( -0.023 6.435 -1.723) 6.662 11.299 ( -0.097 1.384 -2.588) 2.937 11.350 ( 0.130 -5.048 -3.037) 5.892 11.399 ( 0.349 -5.527 -2.726) 6.172 13.998 ( 0.929 3.644 0.216) 3.767 14.034 ( 1.519 3.958 0.459) 4.264 14.065 ( 0.361 -1.067 0.920) 1.455 14.075 ( 0.577 -0.213 0.684) 0.920 14.107 ( 2.092 -2.430 0.716) 3.285 14.133 ( 0.403 -2.723 1.714) 3.243 14.206 ( 5.109 1.885 3.935) 6.719 14.266 ( 7.554 -4.019 4.077) 9.479 14.344 ( -2.662 3.740 -4.848) 6.676 14.404 ( -1.815 -2.648 -5.344) 6.234 14.525 ( 2.987 3.311 -3.950) 5.957 14.591 ( -2.453 3.554 5.242) 6.792 14.623 ( 3.538 -4.736 -2.784) 6.535 14.696 ( -1.667 -5.710 6.838) 9.063 14.884 ( -6.447 5.898 1.786) 8.919 14.996 ( -5.197 -5.814 2.762) 8.273 15.189 ( 1.202 4.490 -2.374) 5.219 15.224 ( 1.223 2.033 -4.746) 5.306 15.336 ( -2.675 -1.168 -0.651) 2.991 15.344 ( -5.187 -0.823 -0.962) 5.339 15.637 ( -1.113 2.853 0.402) 3.088 15.695 ( 1.543 -2.996 -1.780) 3.811 15.737 ( -3.128 4.522 -2.121) 5.893 15.832 ( -1.112 -5.605 -3.945) 6.944 16.162 ( 2.019 0.861 1.255) 2.529 16.182 ( 1.201 -1.171 0.574) 1.773 16.207 ( 0.609 0.833 -0.431) 1.118 16.232 ( 0.293 -1.682 -1.110) 2.037 16.303 ( 0.345 0.670 0.555) 0.936 16.318 ( -0.055 -0.770 0.798) 1.110 16.388 ( -1.753 0.505 -0.434) 1.875 16.400 ( -1.683 -0.781 -0.634) 1.961 ======================= Grid point 37 (18/27) ======================= q-point: ( 0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( 17.282 16.209 6.869) 24.669 1.721 ( 16.563 17.189 6.036) 24.622 1.929 ( 8.897 -9.039 3.440) 13.142 1.957 ( -9.548 7.241 2.759) 12.296 2.076 ( -8.367 -1.206 2.882) 8.931 2.091 ( -1.531 -9.136 4.133) 10.144 2.185 ( -10.197 -8.738 -2.157) 13.601 2.252 ( -8.513 -9.693 -0.145) 12.902 2.364 ( 1.466 2.181 -6.708) 7.205 2.444 ( -4.057 0.569 -5.169) 6.596 2.467 ( 0.790 -4.492 -7.057) 8.403 2.511 ( 0.271 -2.166 -5.814) 6.211 2.538 ( -2.369 -0.150 -6.151) 6.593 2.571 ( -2.754 2.241 -8.721) 9.416 2.603 ( 0.931 -3.197 -8.600) 9.222 2.625 ( -2.539 -3.232 -7.896) 8.902 2.699 ( 11.266 11.329 8.102) 17.914 2.931 ( 4.379 -7.105 5.300) 9.887 2.965 ( -7.764 2.586 4.703) 9.439 2.999 ( -1.140 -0.227 2.472) 2.732 3.088 ( 3.648 4.530 2.611) 6.375 3.132 ( -0.270 4.323 1.661) 4.639 3.178 ( 1.809 -2.061 -0.702) 2.831 3.201 ( 0.129 -1.951 0.282) 1.975 3.391 ( 2.272 1.091 -0.453) 2.561 3.410 ( 1.174 -0.212 -0.394) 1.256 3.441 ( -1.542 0.619 1.667) 2.353 3.468 ( -3.305 -0.289 0.677) 3.386 3.516 ( -1.143 -3.126 -0.882) 3.444 3.537 ( 0.235 -2.686 -0.336) 2.718 3.548 ( -4.147 -0.970 -1.037) 4.383 3.600 ( -3.850 -2.599 0.311) 4.655 3.807 ( 4.011 5.835 1.491) 7.236 3.824 ( 2.909 4.733 2.421) 6.060 3.883 ( 1.755 1.136 1.428) 2.532 3.915 ( -1.199 1.048 0.482) 1.664 3.950 ( 4.346 2.182 4.343) 6.520 3.986 ( -0.664 5.195 -0.923) 5.318 4.015 ( 4.975 0.027 3.880) 6.310 4.072 ( 1.003 -3.514 0.436) 3.680 4.112 ( -0.490 4.836 5.312) 7.200 4.149 ( 1.261 2.107 4.052) 4.738 4.162 ( 2.582 0.353 3.169) 4.103 4.205 ( 2.757 -2.787 4.379) 5.878 4.248 ( 0.324 -0.909 1.874) 2.107 4.274 ( -0.284 3.558 1.756) 3.977 4.304 ( 1.634 -0.165 1.517) 2.236 4.358 ( -0.525 -1.647 3.611) 4.004 4.370 ( 1.607 -1.192 4.250) 4.698 4.415 ( 3.074 -4.348 2.878) 6.053 4.424 ( -2.476 1.512 3.420) 4.485 4.454 ( -1.635 -1.545 3.228) 3.934 4.549 ( 5.064 5.873 -3.249) 8.408 4.582 ( 1.812 3.343 -1.321) 4.026 4.632 ( 1.623 -1.745 0.333) 2.406 4.650 ( 0.144 -4.156 -2.081) 4.650 4.709 ( 2.210 2.598 0.964) 3.544 4.766 ( 3.436 -2.753 0.244) 4.409 4.775 ( -1.222 0.575 3.356) 3.618 4.792 ( 1.069 0.153 1.558) 1.896 4.873 ( 2.368 2.197 -0.124) 3.233 4.899 ( 0.739 -0.774 1.751) 2.052 4.925 ( 1.846 -0.902 1.105) 2.333 4.932 ( -0.762 -1.262 1.661) 2.221 5.008 ( 0.158 3.407 -0.023) 3.411 5.017 ( 2.191 2.660 -2.587) 4.309 5.046 ( 1.407 1.869 -1.228) 2.642 5.055 ( 2.114 2.446 -2.364) 4.005 5.111 ( 7.591 -0.887 -1.217) 7.739 5.116 ( 1.957 1.230 -1.157) 2.585 5.146 ( 4.077 3.641 -1.373) 5.635 5.214 ( 2.456 1.292 -0.177) 2.781 5.235 ( 0.662 0.645 -1.218) 1.529 5.254 ( -3.411 3.282 0.198) 4.738 5.272 ( -2.560 3.355 -1.845) 4.606 5.281 ( 2.268 -2.122 -1.489) 3.445 5.308 ( 0.963 -2.978 -2.186) 3.818 5.365 ( -4.192 -4.733 -3.424) 7.190 5.416 ( -10.369 2.887 -2.289) 11.004 5.455 ( -5.331 2.824 -1.281) 6.168 5.460 ( -1.947 3.146 -2.701) 4.581 5.515 ( -4.936 -2.253 -1.753) 5.702 5.556 ( 1.246 -2.383 -0.437) 2.725 5.591 ( -3.409 0.103 -3.060) 4.582 5.635 ( -3.099 -3.704 0.215) 4.834 5.655 ( -5.121 -2.475 0.368) 5.699 5.714 ( 1.587 -5.268 -0.085) 5.503 5.748 ( -1.720 -8.461 -1.102) 8.705 5.802 ( -1.111 0.252 -1.665) 2.018 5.826 ( -2.089 -2.033 -1.315) 3.197 5.888 ( -4.898 -2.537 1.145) 5.633 5.905 ( -4.635 -3.490 0.257) 5.808 5.974 ( 3.463 4.224 -1.091) 5.570 6.068 ( 2.823 -2.982 -3.899) 5.663 6.086 ( -4.135 0.917 -3.465) 5.472 6.134 ( -1.495 -0.679 -6.798) 6.993 6.194 ( -0.850 1.925 -1.815) 2.779 6.213 ( -1.328 2.147 -0.743) 2.632 6.241 ( 1.431 -0.075 -0.301) 1.464 6.287 ( -1.005 -2.395 1.779) 3.149 6.293 ( -2.240 0.672 -0.711) 2.444 6.320 ( -2.957 -1.707 -0.444) 3.443 6.354 ( -3.047 1.500 3.976) 5.229 6.363 ( -0.909 -1.435 0.726) 1.848 6.385 ( -2.780 -1.240 2.571) 3.985 6.402 ( -1.722 -4.019 0.881) 4.460 6.422 ( -2.484 -3.232 0.503) 4.107 6.463 ( -3.307 -5.863 1.758) 6.957 6.647 ( 2.171 1.926 -1.550) 3.290 6.685 ( -0.467 2.783 -2.020) 3.470 6.709 ( 4.000 -3.178 -1.623) 5.360 6.747 ( 0.093 -3.037 -0.337) 3.057 6.840 ( 2.585 1.036 3.222) 4.259 6.850 ( 1.341 0.374 3.930) 4.169 6.882 ( -2.870 3.716 1.187) 4.843 6.931 ( -5.347 -0.800 0.044) 5.407 7.059 ( 4.072 6.860 -0.951) 8.034 7.107 ( 3.000 2.437 -0.646) 3.918 7.116 ( 0.538 4.884 1.725) 5.208 7.171 ( -0.502 2.916 -1.860) 3.495 7.196 ( 3.301 0.064 1.692) 3.710 7.217 ( 3.790 -0.193 0.281) 3.805 7.246 ( 0.175 2.970 0.660) 3.048 7.283 ( 0.729 4.045 1.122) 4.260 7.301 ( 3.372 1.581 1.246) 3.928 7.362 ( -0.350 1.449 1.231) 1.934 7.383 ( 0.444 5.199 -1.164) 5.346 7.385 ( 0.008 0.758 1.181) 1.403 7.447 ( -0.097 -2.472 1.251) 2.772 7.479 ( -2.389 1.796 0.818) 3.098 7.508 ( 1.761 -2.296 1.166) 3.120 7.563 ( -2.708 -2.933 -1.728) 4.350 7.608 ( 1.514 -0.066 -2.619) 3.026 7.632 ( 0.475 2.442 -1.329) 2.821 7.662 ( 3.483 -4.268 -0.594) 5.541 7.719 ( 1.150 -5.104 -1.087) 5.344 7.726 ( 0.137 0.286 -1.789) 1.817 7.744 ( -1.986 -2.053 -1.639) 3.294 7.769 ( -2.501 -1.094 -3.319) 4.297 7.779 ( -4.103 -4.519 -0.763) 6.151 7.882 ( 2.304 3.446 -1.689) 4.476 7.912 ( 1.322 1.695 0.168) 2.156 7.932 ( 1.205 2.151 -1.945) 3.140 7.952 ( 0.090 1.128 -0.428) 1.210 8.007 ( 0.098 -2.419 -1.352) 2.773 8.010 ( -0.056 -1.667 -0.693) 1.806 8.050 ( 1.262 -6.564 -2.395) 7.101 8.084 ( -2.350 -6.545 -0.629) 6.983 8.144 ( 0.114 0.632 0.147) 0.659 8.151 ( 0.349 -1.672 -0.628) 1.820 8.164 ( 0.761 -2.402 -0.872) 2.667 8.202 ( -2.846 -4.763 -0.157) 5.550 8.371 ( 0.951 1.774 0.161) 2.020 8.382 ( 0.255 1.587 -0.033) 1.608 8.407 ( 0.557 -1.686 0.045) 1.777 8.424 ( -0.882 -2.710 0.624) 2.917 8.566 ( 5.522 3.250 -0.387) 6.419 8.615 ( 6.097 -1.167 -0.499) 6.228 8.681 ( -2.133 3.898 -0.927) 4.539 8.697 ( -1.348 5.231 0.830) 5.465 8.725 ( 1.966 5.035 1.242) 5.546 8.739 ( -1.042 -1.397 -0.746) 1.896 8.784 ( 1.929 -1.130 0.124) 2.239 8.832 ( 0.486 -3.852 1.259) 4.081 8.944 ( -1.460 2.205 0.792) 2.760 8.955 ( 0.415 1.213 -0.352) 1.330 8.997 ( -4.381 1.454 0.373) 4.631 9.029 ( -3.538 -0.885 -1.332) 3.883 9.078 ( 2.588 0.336 1.482) 3.001 9.092 ( 3.413 -1.021 2.592) 4.406 9.155 ( -3.442 -0.392 1.744) 3.879 9.168 ( -2.992 -1.581 1.088) 3.554 9.216 ( 1.471 0.786 0.411) 1.718 9.233 ( 0.312 -0.993 0.534) 1.170 9.252 ( -1.719 -0.259 1.010) 2.011 9.262 ( -2.264 -0.863 3.438) 4.206 9.426 ( -1.543 4.175 2.416) 5.064 9.444 ( -3.436 2.686 0.661) 4.411 9.495 ( -1.124 -3.025 -0.709) 3.304 9.504 ( -2.002 -3.841 0.393) 4.349 9.693 ( 3.957 4.805 -4.989) 7.977 9.740 ( 1.018 2.232 -4.265) 4.920 9.765 ( 0.204 0.739 -5.865) 5.914 9.799 ( -1.703 -0.532 -5.383) 5.671 9.919 ( 3.697 1.629 1.815) 4.429 9.933 ( 3.608 0.602 4.081) 5.480 9.951 ( 3.105 0.174 3.601) 4.758 9.982 ( 1.752 -2.059 4.467) 5.222 10.013 ( -0.510 3.032 4.490) 5.442 10.027 ( -1.562 2.223 5.216) 5.881 10.059 ( 0.492 -0.687 3.022) 3.138 10.078 ( -0.232 -2.322 3.829) 4.484 10.228 ( 1.802 0.936 -1.414) 2.474 10.250 ( 1.788 -0.478 -0.225) 1.864 10.276 ( -1.344 -0.104 -0.345) 1.391 10.295 ( -1.144 -0.591 1.037) 1.653 10.533 ( 2.423 4.123 -2.652) 5.469 10.545 ( 1.404 2.686 -4.287) 5.251 10.622 ( 2.701 -4.128 -4.404) 6.613 10.645 ( 0.905 -5.529 -4.250) 7.032 10.844 ( 1.852 4.412 6.309) 7.918 10.902 ( -2.674 5.303 4.921) 7.713 10.937 ( 1.066 -2.515 6.043) 6.632 11.030 ( -6.829 -5.126 3.930) 9.400 11.229 ( 2.056 7.302 -2.818) 8.093 11.273 ( -2.258 5.324 -2.759) 6.407 11.363 ( 1.175 -6.275 -3.680) 7.369 11.388 ( -1.249 -6.045 -3.449) 7.071 14.017 ( 1.026 3.514 0.981) 3.790 14.035 ( -0.826 3.624 1.716) 4.094 14.083 ( 0.941 -3.077 0.912) 3.345 14.095 ( -0.006 -1.968 1.002) 2.209 14.143 ( 3.739 1.790 -0.653) 4.196 14.195 ( 4.423 -2.198 -1.381) 5.128 14.229 ( -3.380 2.720 -1.850) 4.716 14.289 ( -3.540 -2.637 -1.233) 4.583 14.392 ( 5.785 3.467 0.805) 6.792 14.459 ( 6.640 -1.483 2.205) 7.152 14.520 ( -3.665 2.407 4.010) 5.942 14.580 ( -0.053 -0.417 -0.033) 0.422 14.659 ( 0.133 -2.526 2.718) 3.713 14.721 ( 6.328 -5.750 -1.810) 8.740 14.751 ( -6.657 4.389 0.410) 7.985 14.866 ( -7.899 -6.950 -0.219) 10.524 15.209 ( 1.207 5.357 -0.195) 5.495 15.245 ( -0.412 3.021 -0.551) 3.099 15.258 ( -1.793 2.247 0.381) 2.900 15.285 ( -2.347 -0.209 0.280) 2.373 15.637 ( 1.154 3.628 -1.594) 4.127 15.677 ( -2.928 4.382 -2.613) 5.882 15.735 ( 2.726 -6.261 -4.234) 8.035 15.791 ( -2.877 -7.185 -4.775) 9.094 16.198 ( 1.517 0.328 1.489) 2.150 16.210 ( 1.297 -0.570 0.733) 1.595 16.216 ( 0.260 0.139 1.078) 1.117 16.234 ( -0.417 -1.310 0.443) 1.444 16.315 ( 0.985 0.477 0.012) 1.094 16.325 ( 1.232 -0.425 -0.331) 1.344 16.347 ( -2.222 0.537 -0.140) 2.290 16.361 ( -2.223 -0.835 -0.490) 2.425 ======================= Grid point 50 (19/27) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 27 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( 0.000 0.000 27.854) 27.854 1.118 ( 0.000 0.000 28.028) 28.028 1.589 ( 0.000 0.000 -25.149) 25.149 1.605 ( 0.000 0.000 -23.203) 23.203 1.825 ( 0.000 0.000 42.993) 42.993 2.434 ( 0.000 0.000 3.599) 3.599 2.476 ( 0.000 0.000 6.015) 6.015 2.495 ( 0.000 0.000 -20.101) 20.101 2.496 ( 0.000 0.000 -3.388) 3.388 2.562 ( 0.000 0.000 5.588) 5.588 2.573 ( 0.000 0.000 1.829) 1.829 2.603 ( 0.000 0.000 -13.876) 13.876 2.603 ( 0.000 0.000 -0.081) 0.081 2.702 ( 0.000 0.000 -7.165) 7.165 2.768 ( 0.000 0.000 4.774) 4.774 2.791 ( 0.000 0.000 3.772) 3.772 2.835 ( 0.000 0.000 -0.671) 0.671 2.845 ( 0.000 0.000 -1.657) 1.657 2.978 ( 0.000 0.000 0.467) 0.467 2.980 ( 0.000 0.000 5.995) 5.995 3.041 ( 0.000 0.000 -4.398) 4.398 3.061 ( 0.000 0.000 -2.754) 2.754 3.191 ( 0.000 0.000 4.718) 4.718 3.268 ( 0.000 0.000 -2.563) 2.563 3.293 ( 0.000 0.000 5.977) 5.977 3.395 ( 0.000 0.000 -3.233) 3.233 3.406 ( 0.000 0.000 -6.502) 6.502 3.409 ( 0.000 0.000 -3.432) 3.432 3.476 ( 0.000 0.000 -0.144) 0.144 3.502 ( 0.000 0.000 -0.981) 0.981 3.590 ( 0.000 0.000 0.288) 0.288 3.614 ( 0.000 0.000 -1.226) 1.226 3.641 ( 0.000 0.000 5.103) 5.103 3.752 ( 0.000 0.000 -6.055) 6.055 3.807 ( 0.000 0.000 7.245) 7.245 3.829 ( 0.000 0.000 5.423) 5.423 3.877 ( 0.000 0.000 2.375) 2.375 3.904 ( 0.000 0.000 3.182) 3.182 3.926 ( 0.000 0.000 -4.073) 4.073 3.926 ( 0.000 0.000 -4.486) 4.486 3.963 ( 0.000 0.000 -5.468) 5.468 4.023 ( 0.000 0.000 -6.706) 6.706 4.125 ( 0.000 0.000 8.522) 8.522 4.194 ( 0.000 0.000 8.165) 8.165 4.228 ( 0.000 0.000 -0.830) 0.830 4.293 ( 0.000 0.000 -1.024) 1.024 4.328 ( 0.000 0.000 3.000) 3.000 4.346 ( 0.000 0.000 2.443) 2.443 4.361 ( 0.000 0.000 0.647) 0.647 4.394 ( 0.000 0.000 6.146) 6.146 4.424 ( 0.000 0.000 2.847) 2.847 4.444 ( 0.000 0.000 -9.395) 9.395 4.459 ( 0.000 0.000 -2.026) 2.026 4.484 ( 0.000 0.000 3.046) 3.046 4.511 ( 0.000 0.000 -3.582) 3.582 4.596 ( 0.000 0.000 -7.694) 7.694 4.696 ( 0.000 0.000 3.416) 3.416 4.716 ( 0.000 0.000 1.685) 1.685 4.740 ( 0.000 0.000 3.334) 3.334 4.760 ( 0.000 0.000 1.426) 1.426 4.770 ( 0.000 0.000 2.993) 2.993 4.793 ( 0.000 0.000 1.046) 1.046 4.880 ( 0.000 0.000 1.824) 1.824 4.907 ( 0.000 0.000 0.834) 0.834 4.917 ( 0.000 0.000 -3.810) 3.810 4.928 ( 0.000 0.000 -2.208) 2.208 4.939 ( 0.000 0.000 0.831) 0.831 4.997 ( 0.000 0.000 2.837) 2.837 5.014 ( 0.000 0.000 -6.684) 6.684 5.056 ( 0.000 0.000 -3.364) 3.364 5.081 ( 0.000 0.000 7.483) 7.483 5.167 ( 0.000 0.000 4.178) 4.178 5.193 ( 0.000 0.000 1.660) 1.660 5.236 ( 0.000 0.000 -7.408) 7.408 5.357 ( 0.000 0.000 2.809) 2.809 5.358 ( 0.000 0.000 2.193) 2.193 5.389 ( 0.000 0.000 4.069) 4.069 5.466 ( 0.000 0.000 -4.483) 4.483 5.518 ( 0.000 0.000 1.464) 1.464 5.554 ( 0.000 0.000 3.324) 3.324 5.588 ( 0.000 0.000 -4.348) 4.348 5.592 ( 0.000 0.000 -0.253) 0.253 5.637 ( 0.000 0.000 -8.279) 8.279 5.649 ( 0.000 0.000 -1.679) 1.679 5.765 ( 0.000 0.000 5.376) 5.376 5.779 ( 0.000 0.000 -1.217) 1.217 5.811 ( 0.000 0.000 -3.088) 3.088 5.867 ( 0.000 0.000 8.618) 8.618 5.919 ( 0.000 0.000 -8.204) 8.204 6.000 ( 0.000 0.000 -3.520) 3.520 6.011 ( 0.000 0.000 1.510) 1.510 6.071 ( 0.000 0.000 0.408) 0.408 6.087 ( 0.000 0.000 2.853) 2.853 6.097 ( 0.000 0.000 -4.634) 4.634 6.137 ( 0.000 0.000 -4.663) 4.663 6.202 ( 0.000 0.000 -6.655) 6.655 6.217 ( 0.000 0.000 5.184) 5.184 6.272 ( 0.000 0.000 -0.936) 0.936 6.292 ( 0.000 0.000 0.595) 0.595 6.320 ( 0.000 0.000 -0.250) 0.250 6.383 ( 0.000 0.000 -6.141) 6.141 6.386 ( 0.000 0.000 -8.433) 8.433 6.431 ( 0.000 0.000 3.809) 3.809 6.487 ( 0.000 0.000 -2.735) 2.735 6.502 ( 0.000 0.000 2.719) 2.719 6.546 ( 0.000 0.000 -1.540) 1.540 6.558 ( 0.000 0.000 6.621) 6.621 6.581 ( 0.000 0.000 11.927) 11.927 6.622 ( 0.000 0.000 2.490) 2.490 6.637 ( 0.000 0.000 -0.570) 0.570 6.705 ( 0.000 0.000 -4.915) 4.915 6.740 ( 0.000 0.000 -3.100) 3.100 6.810 ( 0.000 0.000 3.828) 3.828 6.855 ( 0.000 0.000 -0.537) 0.537 6.887 ( 0.000 0.000 -2.782) 2.782 6.901 ( 0.000 0.000 -2.757) 2.757 6.980 ( 0.000 0.000 2.485) 2.485 7.016 ( 0.000 0.000 1.015) 1.015 7.056 ( 0.000 0.000 7.550) 7.550 7.087 ( 0.000 0.000 4.310) 4.310 7.151 ( 0.000 0.000 -1.233) 1.233 7.168 ( 0.000 0.000 -2.909) 2.909 7.185 ( 0.000 0.000 -0.745) 0.745 7.188 ( 0.000 0.000 0.244) 0.244 7.264 ( 0.000 0.000 3.096) 3.096 7.340 ( 0.000 0.000 -1.334) 1.334 7.357 ( 0.000 0.000 0.941) 0.941 7.403 ( 0.000 0.000 -3.632) 3.632 7.421 ( 0.000 0.000 0.104) 0.104 7.435 ( 0.000 0.000 7.840) 7.840 7.436 ( 0.000 0.000 -0.852) 0.852 7.516 ( 0.000 0.000 -0.542) 0.542 7.534 ( 0.000 0.000 6.896) 6.896 7.561 ( 0.000 0.000 -5.456) 5.456 7.567 ( 0.000 0.000 -4.663) 4.663 7.654 ( 0.000 0.000 -5.463) 5.463 7.703 ( 0.000 0.000 1.915) 1.915 7.747 ( 0.000 0.000 -2.292) 2.292 7.764 ( 0.000 0.000 -2.098) 2.098 7.835 ( 0.000 0.000 -5.261) 5.261 7.890 ( 0.000 0.000 -1.110) 1.110 7.903 ( 0.000 0.000 3.166) 3.166 7.916 ( 0.000 0.000 4.646) 4.646 7.948 ( 0.000 0.000 -5.580) 5.580 8.043 ( 0.000 0.000 -0.932) 0.932 8.122 ( 0.000 0.000 3.875) 3.875 8.130 ( 0.000 0.000 -6.843) 6.843 8.204 ( 0.000 0.000 3.104) 3.104 8.208 ( 0.000 0.000 -5.238) 5.238 8.236 ( 0.000 0.000 5.305) 5.305 8.244 ( 0.000 0.000 -1.382) 1.382 8.289 ( 0.000 0.000 0.332) 0.332 8.295 ( 0.000 0.000 -1.213) 1.213 8.333 ( 0.000 0.000 -2.277) 2.277 8.350 ( 0.000 0.000 0.653) 0.653 8.354 ( 0.000 0.000 0.051) 0.051 8.460 ( 0.000 0.000 -1.208) 1.208 8.490 ( 0.000 0.000 -2.729) 2.729 8.552 ( 0.000 0.000 1.135) 1.135 8.571 ( 0.000 0.000 -1.008) 1.008 8.731 ( 0.000 0.000 1.215) 1.215 8.744 ( 0.000 0.000 -0.327) 0.327 8.782 ( 0.000 0.000 0.664) 0.664 8.792 ( 0.000 0.000 0.103) 0.103 8.954 ( 0.000 0.000 2.433) 2.433 8.970 ( 0.000 0.000 5.875) 5.875 8.976 ( 0.000 0.000 0.371) 0.371 9.047 ( 0.000 0.000 -2.046) 2.046 9.103 ( 0.000 0.000 2.943) 2.943 9.145 ( 0.000 0.000 -1.679) 1.679 9.221 ( 0.000 0.000 1.289) 1.289 9.241 ( 0.000 0.000 -0.747) 0.747 9.329 ( 0.000 0.000 0.176) 0.176 9.333 ( 0.000 0.000 -0.430) 0.430 9.432 ( 0.000 0.000 1.719) 1.719 9.439 ( 0.000 0.000 7.228) 7.228 9.451 ( 0.000 0.000 3.858) 3.858 9.470 ( 0.000 0.000 -2.146) 2.146 9.542 ( 0.000 0.000 -2.141) 2.141 9.603 ( 0.000 0.000 -6.673) 6.673 9.624 ( 0.000 0.000 3.198) 3.198 9.640 ( 0.000 0.000 4.465) 4.465 9.694 ( 0.000 0.000 -3.399) 3.399 9.724 ( 0.000 0.000 -3.995) 3.995 9.778 ( 0.000 0.000 3.141) 3.141 9.811 ( 0.000 0.000 -0.684) 0.684 9.880 ( 0.000 0.000 6.388) 6.388 9.930 ( 0.000 0.000 2.003) 2.003 9.980 ( 0.000 0.000 2.210) 2.210 10.017 ( 0.000 0.000 -0.690) 0.690 10.039 ( 0.000 0.000 -7.209) 7.209 10.041 ( 0.000 0.000 -6.115) 6.115 10.135 ( 0.000 0.000 -1.585) 1.585 10.142 ( 0.000 0.000 -1.111) 1.111 10.214 ( 0.000 0.000 2.429) 2.429 10.240 ( 0.000 0.000 -0.525) 0.525 10.604 ( 0.000 0.000 2.263) 2.263 10.624 ( 0.000 0.000 1.514) 1.514 10.627 ( 0.000 0.000 0.703) 0.703 10.649 ( 0.000 0.000 -1.483) 1.483 10.761 ( 0.000 0.000 4.752) 4.752 10.836 ( 0.000 0.000 5.626) 5.626 10.853 ( 0.000 0.000 -4.339) 4.339 10.927 ( 0.000 0.000 -3.097) 3.097 11.261 ( 0.000 0.000 5.618) 5.618 11.375 ( 0.000 0.000 -5.863) 5.863 11.425 ( 0.000 0.000 1.980) 1.980 11.472 ( 0.000 0.000 -2.860) 2.860 13.893 ( 0.000 0.000 1.113) 1.113 13.918 ( 0.000 0.000 -1.437) 1.437 14.140 ( 0.000 0.000 2.135) 2.135 14.154 ( 0.000 0.000 2.449) 2.449 14.166 ( 0.000 0.000 -0.567) 0.567 14.198 ( 0.000 0.000 1.318) 1.318 14.207 ( 0.000 0.000 0.515) 0.515 14.212 ( 0.000 0.000 -3.529) 3.529 14.382 ( 0.000 0.000 -0.623) 0.623 14.409 ( 0.000 0.000 -3.800) 3.800 14.504 ( 0.000 0.000 10.770) 10.770 14.617 ( 0.000 0.000 5.489) 5.489 14.666 ( 0.000 0.000 -5.155) 5.155 14.724 ( 0.000 0.000 -5.225) 5.225 14.829 ( 0.000 0.000 1.266) 1.266 14.901 ( 0.000 0.000 -7.265) 7.265 15.230 ( 0.000 0.000 7.123) 7.123 15.271 ( 0.000 0.000 7.327) 7.327 15.378 ( 0.000 0.000 -8.182) 8.182 15.407 ( 0.000 0.000 -6.683) 6.683 15.684 ( 0.000 0.000 1.440) 1.440 15.700 ( 0.000 0.000 5.764) 5.764 15.705 ( 0.000 0.000 -0.568) 0.568 15.800 ( 0.000 0.000 -5.012) 5.012 16.163 ( 0.000 0.000 2.689) 2.689 16.188 ( 0.000 0.000 0.397) 0.397 16.199 ( 0.000 0.000 -0.669) 0.669 16.199 ( 0.000 0.000 -1.283) 1.283 16.321 ( 0.000 0.000 2.105) 2.105 16.351 ( 0.000 0.000 1.060) 1.060 16.362 ( 0.000 0.000 -2.060) 2.060 16.381 ( 0.000 0.000 -2.095) 2.095 ======================= Grid point 51 (20/27) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( 14.124 0.000 24.526) 28.302 1.277 ( 16.171 0.000 22.735) 27.900 1.698 ( 10.171 0.000 -21.522) 23.805 1.704 ( 9.851 0.000 -21.471) 23.623 1.995 ( 17.232 0.000 35.569) 39.524 2.283 ( -14.320 0.000 4.947) 15.150 2.382 ( -15.759 0.000 4.382) 16.357 2.388 ( -10.569 0.000 -5.670) 11.994 2.452 ( 0.391 0.000 5.569) 5.583 2.520 ( -7.395 0.000 -4.398) 8.604 2.525 ( 1.498 0.000 -8.133) 8.269 2.627 ( 3.506 0.000 -16.877) 17.237 2.634 ( 3.079 0.000 5.025) 5.893 2.726 ( 0.862 0.000 -3.730) 3.828 2.751 ( -4.388 0.000 2.571) 5.086 2.782 ( -5.239 0.000 -0.680) 5.283 2.802 ( -0.634 0.000 -1.385) 1.523 2.843 ( 0.030 0.000 -1.283) 1.283 2.893 ( 3.428 0.000 -0.306) 3.442 2.902 ( -3.831 0.000 -2.980) 4.853 3.071 ( -1.005 0.000 1.713) 1.986 3.096 ( -2.293 0.000 -0.955) 2.484 3.172 ( -3.142 0.000 2.170) 3.819 3.197 ( -5.835 0.000 -0.136) 5.837 3.389 ( 8.705 0.000 3.571) 9.409 3.423 ( 4.402 0.000 -1.402) 4.620 3.451 ( 3.083 0.000 -2.992) 4.296 3.462 ( -0.024 0.000 -2.448) 2.448 3.540 ( 6.036 0.000 -2.421) 6.504 3.543 ( 2.286 0.000 -1.508) 2.738 3.601 ( 2.356 0.000 5.163) 5.675 3.632 ( -0.398 0.000 1.803) 1.847 3.637 ( -0.043 0.000 0.949) 0.950 3.709 ( 0.326 0.000 -5.127) 5.138 3.802 ( 0.198 0.000 4.001) 4.006 3.818 ( -1.549 0.000 6.365) 6.551 3.854 ( -0.314 0.000 -1.821) 1.848 3.886 ( -0.902 0.000 0.350) 0.967 3.915 ( -3.391 0.000 -1.153) 3.581 3.954 ( -2.723 0.000 -2.240) 3.526 4.009 ( 6.978 0.000 -1.969) 7.251 4.043 ( 6.779 0.000 -3.305) 7.542 4.180 ( -5.577 0.000 3.920) 6.817 4.199 ( -1.325 0.000 0.786) 1.541 4.218 ( 5.462 0.000 3.548) 6.513 4.312 ( 3.238 0.000 2.793) 4.276 4.318 ( -2.427 0.000 -3.474) 4.238 4.350 ( 2.844 0.000 -1.071) 3.039 4.366 ( 2.067 0.000 2.759) 3.447 4.387 ( -0.514 0.000 0.389) 0.644 4.436 ( 4.094 0.000 1.259) 4.283 4.450 ( 2.081 0.000 -0.252) 2.097 4.526 ( 6.056 0.000 8.342) 10.308 4.544 ( 4.782 0.000 1.446) 4.995 4.576 ( 1.195 0.000 -3.359) 3.565 4.664 ( -0.240 0.000 1.569) 1.587 4.705 ( 7.766 0.000 -3.440) 8.494 4.712 ( 0.460 0.000 0.030) 0.461 4.720 ( 0.251 0.000 4.503) 4.510 4.792 ( 1.343 0.000 3.407) 3.663 4.811 ( 1.955 0.000 -2.023) 2.813 4.843 ( 4.390 0.000 -1.305) 4.579 4.900 ( 2.728 0.000 0.880) 2.866 4.905 ( 1.458 0.000 -0.928) 1.728 4.940 ( 0.214 0.000 0.679) 0.712 4.964 ( 1.573 0.000 3.665) 3.989 4.985 ( -2.248 0.000 -4.491) 5.022 5.011 ( 7.132 0.000 -2.121) 7.441 5.024 ( 1.827 0.000 -0.059) 1.828 5.064 ( -0.862 0.000 -4.238) 4.324 5.096 ( -2.199 0.000 3.979) 4.547 5.112 ( 2.481 0.000 3.976) 4.687 5.152 ( -4.046 0.000 -0.052) 4.046 5.210 ( -2.426 0.000 -4.162) 4.817 5.295 ( -7.719 0.000 0.346) 7.727 5.309 ( -1.510 0.000 0.728) 1.676 5.346 ( -4.043 0.000 1.126) 4.197 5.429 ( -10.282 0.000 -5.478) 11.651 5.475 ( -0.735 0.000 2.192) 2.312 5.504 ( -4.643 0.000 0.992) 4.748 5.537 ( -1.750 0.000 -2.963) 3.441 5.591 ( 0.878 0.000 -5.294) 5.367 5.639 ( 4.803 0.000 1.314) 4.980 5.657 ( 0.901 0.000 -0.436) 1.001 5.777 ( -0.202 0.000 2.956) 2.963 5.805 ( -2.743 0.000 -0.942) 2.900 5.807 ( -0.811 0.000 -0.957) 1.254 5.846 ( -4.271 0.000 -2.107) 4.763 5.870 ( -2.163 0.000 8.938) 9.196 5.939 ( -5.755 0.000 0.758) 5.804 6.006 ( -0.517 0.000 -0.012) 0.517 6.047 ( -5.029 0.000 -3.085) 5.900 6.052 ( -2.853 0.000 -3.654) 4.636 6.067 ( -6.261 0.000 -1.699) 6.487 6.072 ( -0.437 0.000 -1.553) 1.614 6.134 ( -2.356 0.000 -9.942) 10.218 6.221 ( -1.824 0.000 1.589) 2.419 6.251 ( -3.375 0.000 -0.413) 3.400 6.331 ( 0.456 0.000 -0.190) 0.494 6.337 ( 0.010 0.000 -2.869) 2.869 6.375 ( 1.734 0.000 1.176) 2.095 6.409 ( 5.057 0.000 -1.627) 5.312 6.424 ( -4.500 0.000 5.812) 7.351 6.458 ( -3.557 0.000 -0.280) 3.568 6.463 ( 0.616 0.000 0.193) 0.646 6.548 ( -1.201 0.000 -6.061) 6.179 6.592 ( 0.848 0.000 6.951) 7.002 6.617 ( 0.204 0.000 3.588) 3.594 6.619 ( -0.038 0.000 0.094) 0.101 6.639 ( 4.003 0.000 2.631) 4.791 6.667 ( -2.408 0.000 -2.089) 3.188 6.752 ( -0.524 0.000 -3.660) 3.697 6.793 ( -1.700 0.000 4.735) 5.031 6.800 ( -3.237 0.000 0.960) 3.376 6.829 ( -6.737 0.000 -1.870) 6.992 6.916 ( 2.051 0.000 -6.951) 7.247 6.935 ( -0.875 0.000 1.207) 1.490 6.980 ( -1.635 0.000 -1.489) 2.212 7.008 ( -2.703 0.000 4.908) 5.603 7.103 ( -0.638 0.000 -3.731) 3.785 7.142 ( -1.520 0.000 3.812) 4.104 7.152 ( 0.661 0.000 3.681) 3.740 7.202 ( -3.209 0.000 4.000) 5.128 7.217 ( 3.549 0.000 2.387) 4.278 7.256 ( 1.604 0.000 -0.190) 1.615 7.303 ( -3.354 0.000 -3.876) 5.126 7.383 ( -1.626 0.000 2.883) 3.310 7.403 ( -1.631 0.000 -0.897) 1.862 7.430 ( 1.301 0.000 0.894) 1.579 7.434 ( 4.147 0.000 1.193) 4.315 7.500 ( 3.954 0.000 -1.440) 4.208 7.509 ( -0.509 0.000 -2.784) 2.830 7.523 ( 0.718 0.000 0.264) 0.765 7.556 ( 0.161 0.000 -2.770) 2.775 7.610 ( 4.331 0.000 2.035) 4.785 7.695 ( 5.195 0.000 -4.939) 7.168 7.730 ( -0.739 0.000 -0.658) 0.990 7.765 ( 5.364 0.000 0.802) 5.424 7.802 ( 2.926 0.000 -0.495) 2.968 7.833 ( -2.011 0.000 -5.332) 5.699 7.895 ( -1.347 0.000 6.368) 6.508 7.908 ( 2.083 0.000 0.447) 2.130 7.940 ( 1.205 0.000 -0.367) 1.260 8.004 ( 4.464 0.000 -4.573) 6.391 8.087 ( 0.889 0.000 2.381) 2.542 8.121 ( -0.317 0.000 -3.801) 3.815 8.121 ( -0.600 0.000 2.380) 2.454 8.174 ( -1.692 0.000 -4.314) 4.634 8.178 ( 1.881 0.000 -0.011) 1.882 8.231 ( -1.738 0.000 -3.117) 3.569 8.267 ( 2.113 0.000 3.147) 3.790 8.299 ( 2.255 0.000 0.979) 2.459 8.315 ( 2.127 0.000 -1.059) 2.376 8.330 ( 0.517 0.000 -2.826) 2.873 8.408 ( 0.830 0.000 1.923) 2.095 8.458 ( 4.545 0.000 -1.401) 4.756 8.479 ( 1.033 0.000 -0.746) 1.274 8.505 ( 5.312 0.000 -2.114) 5.717 8.535 ( -0.761 0.000 1.181) 1.405 8.554 ( -0.450 0.000 -0.703) 0.834 8.704 ( -4.053 0.000 2.852) 4.955 8.738 ( -0.463 0.000 0.073) 0.468 8.758 ( -1.829 0.000 -1.377) 2.289 8.758 ( 0.748 0.000 -0.739) 1.051 8.895 ( -3.389 0.000 3.980) 5.227 8.957 ( -2.570 0.000 -2.492) 3.580 9.048 ( 4.649 0.000 2.844) 5.449 9.063 ( -0.896 0.000 0.284) 0.940 9.102 ( -0.687 0.000 1.196) 1.379 9.130 ( 0.402 0.000 -0.929) 1.012 9.212 ( -0.389 0.000 2.555) 2.585 9.236 ( -1.477 0.000 0.488) 1.555 9.314 ( -2.309 0.000 1.163) 2.585 9.320 ( -0.974 0.000 0.522) 1.105 9.388 ( -3.101 0.000 2.741) 4.139 9.431 ( -3.677 0.000 -1.501) 3.972 9.437 ( -2.045 0.000 6.035) 6.372 9.466 ( 0.228 0.000 -0.027) 0.229 9.479 ( -4.127 0.000 2.217) 4.685 9.541 ( -5.659 0.000 -2.860) 6.341 9.546 ( -1.090 0.000 0.813) 1.360 9.631 ( -0.499 0.000 -6.479) 6.499 9.665 ( -2.424 0.000 2.300) 3.342 9.724 ( -1.361 0.000 -3.317) 3.585 9.810 ( 3.576 0.000 0.816) 3.668 9.827 ( 2.221 0.000 -1.106) 2.481 9.970 ( 5.969 0.000 2.409) 6.436 9.971 ( 4.119 0.000 3.976) 5.725 10.005 ( 0.659 0.000 -0.197) 0.687 10.008 ( 3.657 0.000 1.312) 3.885 10.098 ( -1.874 0.000 0.135) 1.879 10.122 ( -0.238 0.000 -2.185) 2.198 10.148 ( 5.752 0.000 -3.272) 6.617 10.153 ( 5.109 0.000 -4.128) 6.568 10.223 ( 1.081 0.000 3.494) 3.658 10.263 ( 1.842 0.000 -0.642) 1.951 10.586 ( -1.174 0.000 2.053) 2.365 10.591 ( -0.649 0.000 2.069) 2.169 10.655 ( -0.609 0.000 -1.503) 1.622 10.678 ( 0.322 0.000 -3.697) 3.711 10.731 ( 0.700 0.000 6.434) 6.472 10.851 ( 1.126 0.000 -5.852) 5.959 10.872 ( 1.585 0.000 6.218) 6.417 10.956 ( 2.086 0.000 -2.239) 3.060 11.254 ( -0.598 0.000 6.079) 6.108 11.372 ( -0.097 0.000 -5.962) 5.963 11.387 ( -3.726 0.000 2.817) 4.671 11.454 ( -1.644 0.000 -4.148) 4.462 13.918 ( 2.362 0.000 1.398) 2.745 13.947 ( 2.810 0.000 -1.552) 3.210 14.086 ( -3.182 0.000 3.087) 4.433 14.133 ( -2.653 0.000 -1.844) 3.231 14.204 ( 1.505 0.000 1.189) 1.918 14.212 ( 1.724 0.000 0.451) 1.782 14.226 ( 4.329 0.000 2.631) 5.066 14.273 ( 4.202 0.000 -2.478) 4.879 14.317 ( -3.448 0.000 3.840) 5.161 14.385 ( -1.854 0.000 -4.321) 4.702 14.563 ( -2.277 0.000 4.968) 5.465 14.650 ( 8.166 0.000 4.992) 9.571 14.665 ( -3.487 0.000 -5.002) 6.098 14.743 ( 4.819 0.000 -2.910) 5.629 14.861 ( 3.141 0.000 0.959) 3.284 14.926 ( 2.561 0.000 -6.914) 7.373 15.154 ( -6.057 0.000 5.283) 8.037 15.241 ( -4.583 0.000 4.679) 6.550 15.254 ( -9.230 0.000 -4.304) 10.184 15.308 ( -11.139 0.000 -1.779) 11.281 15.659 ( -0.299 0.000 2.077) 2.098 15.699 ( 2.957 0.000 -2.522) 3.887 15.723 ( 0.500 0.000 6.222) 6.242 15.854 ( 1.477 0.000 -7.655) 7.796 16.202 ( 1.226 0.000 0.420) 1.296 16.207 ( 3.547 0.000 0.253) 3.556 16.212 ( 1.320 0.000 -0.635) 1.465 16.214 ( 1.335 0.000 -0.282) 1.364 16.298 ( -1.635 0.000 1.181) 2.016 16.315 ( -1.986 0.000 -0.584) 2.070 16.373 ( -0.377 0.000 -0.246) 0.450 16.383 ( -0.485 0.000 -1.528) 1.603 ======================= Grid point 52 (21/27) ======================= q-point: ( 0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( 20.486 0.000 18.672) 27.718 1.608 ( 18.003 0.000 17.092) 24.824 1.903 ( 6.594 0.000 -7.854) 10.255 1.907 ( -0.994 0.000 0.336) 1.049 2.008 ( -1.966 0.000 -7.913) 8.154 2.035 ( -15.420 0.000 3.660) 15.848 2.167 ( -12.189 0.000 -11.592) 16.821 2.233 ( -9.160 0.000 -8.277) 12.346 2.456 ( 12.396 0.000 10.393) 16.177 2.497 ( 4.054 0.000 4.902) 6.362 2.554 ( 1.709 0.000 -3.772) 4.141 2.605 ( -3.790 0.000 -2.778) 4.699 2.621 ( -1.676 0.000 4.577) 4.874 2.742 ( 4.651 0.000 1.423) 4.864 2.753 ( 2.237 0.000 -2.818) 3.598 2.766 ( -4.845 0.000 2.754) 5.572 2.788 ( 0.107 0.000 -5.419) 5.420 2.860 ( 7.518 0.000 -7.576) 10.673 2.924 ( -3.974 0.000 3.114) 5.049 2.943 ( 2.008 0.000 0.695) 2.125 3.003 ( -2.703 0.000 0.355) 2.726 3.004 ( -3.619 0.000 -0.032) 3.619 3.076 ( -6.784 0.000 0.493) 6.802 3.077 ( -6.051 0.000 0.345) 6.060 3.446 ( -0.041 0.000 0.805) 0.806 3.471 ( -1.635 0.000 1.265) 2.067 3.491 ( 2.948 0.000 -2.869) 4.113 3.527 ( 0.758 0.000 -2.753) 2.856 3.556 ( 2.475 0.000 2.533) 3.541 3.605 ( -2.123 0.000 3.099) 3.756 3.610 ( 3.721 0.000 -3.575) 5.160 3.646 ( 0.806 0.000 -1.791) 1.964 3.680 ( 4.131 0.000 4.448) 6.070 3.745 ( 1.861 0.000 -2.093) 2.801 3.760 ( -4.264 0.000 4.686) 6.335 3.800 ( -2.740 0.000 0.831) 2.863 3.863 ( 1.184 0.000 -1.843) 2.190 3.863 ( 1.881 0.000 -1.422) 2.358 3.894 ( -0.233 0.000 0.594) 0.638 3.927 ( -3.391 0.000 -3.285) 4.721 4.086 ( 4.007 0.000 3.857) 5.561 4.143 ( 3.739 0.000 -2.192) 4.334 4.171 ( -0.583 0.000 2.260) 2.334 4.210 ( -0.830 0.000 -2.663) 2.790 4.310 ( 4.495 0.000 2.016) 4.927 4.322 ( 3.338 0.000 0.801) 3.433 4.340 ( 7.209 0.000 1.186) 7.306 4.347 ( 3.942 0.000 0.501) 3.974 4.394 ( -2.530 0.000 1.110) 2.763 4.403 ( -1.267 0.000 0.459) 1.347 4.504 ( -6.199 0.000 1.050) 6.287 4.505 ( -5.139 0.000 0.906) 5.219 4.565 ( 4.904 0.000 2.795) 5.644 4.618 ( 10.224 0.000 -2.623) 10.555 4.648 ( -2.298 0.000 6.351) 6.754 4.669 ( 6.983 0.000 7.106) 9.963 4.739 ( 1.040 0.000 0.867) 1.354 4.753 ( 2.114 0.000 1.627) 2.668 4.780 ( -4.812 0.000 -0.414) 4.830 4.824 ( -3.684 0.000 -0.829) 3.777 4.847 ( 2.823 0.000 1.894) 3.399 4.853 ( 3.181 0.000 1.335) 3.450 4.913 ( 0.590 0.000 -2.439) 2.509 4.936 ( -3.456 0.000 -4.292) 5.511 4.969 ( 3.376 0.000 -1.377) 3.646 4.970 ( 4.209 0.000 -1.700) 4.540 5.001 ( -0.834 0.000 -0.382) 0.917 5.006 ( 3.183 0.000 -0.181) 3.188 5.028 ( 1.442 0.000 -1.811) 2.314 5.038 ( -4.521 0.000 -2.547) 5.189 5.096 ( -6.019 0.000 4.982) 7.813 5.155 ( -0.184 0.000 -0.024) 0.185 5.190 ( 1.971 0.000 -1.081) 2.248 5.200 ( -2.333 0.000 -1.359) 2.700 5.254 ( 3.263 0.000 0.375) 3.285 5.265 ( 0.146 0.000 -0.675) 0.691 5.299 ( 7.083 0.000 -0.707) 7.118 5.329 ( 1.803 0.000 -3.186) 3.661 5.430 ( -0.167 0.000 0.916) 0.931 5.475 ( -3.469 0.000 -0.456) 3.499 5.482 ( 3.788 0.000 -2.731) 4.670 5.521 ( -8.499 0.000 -3.892) 9.348 5.636 ( -11.679 0.000 1.649) 11.794 5.664 ( -11.376 0.000 0.106) 11.377 5.726 ( 3.466 0.000 3.222) 4.732 5.764 ( 4.591 0.000 -0.305) 4.602 5.788 ( -0.948 0.000 2.572) 2.741 5.811 ( -1.903 0.000 2.869) 3.443 5.824 ( 2.732 0.000 3.018) 4.071 5.888 ( 2.108 0.000 -1.309) 2.481 5.926 ( -5.505 0.000 -2.575) 6.078 5.969 ( -4.202 0.000 -5.072) 6.586 5.998 ( -1.289 0.000 -1.247) 1.793 6.008 ( -3.470 0.000 -0.790) 3.558 6.012 ( -2.236 0.000 0.088) 2.238 6.050 ( -5.585 0.000 -4.801) 7.365 6.228 ( 2.453 0.000 -1.116) 2.695 6.240 ( 4.658 0.000 -2.632) 5.350 6.310 ( -4.543 0.000 1.032) 4.659 6.339 ( -3.247 0.000 -1.413) 3.541 6.359 ( 1.770 0.000 4.609) 4.937 6.418 ( -2.144 0.000 1.601) 2.676 6.423 ( 2.154 0.000 -1.793) 2.802 6.456 ( 1.923 0.000 2.882) 3.464 6.463 ( -0.359 0.000 -3.045) 3.066 6.507 ( -0.745 0.000 -4.226) 4.291 6.537 ( -5.309 0.000 2.096) 5.708 6.560 ( -4.995 0.000 -0.513) 5.022 6.635 ( 1.826 0.000 5.174) 5.487 6.657 ( 1.132 0.000 -0.227) 1.154 6.672 ( -2.014 0.000 -0.378) 2.049 6.700 ( -3.130 0.000 -2.110) 3.775 6.754 ( 1.105 0.000 2.681) 2.900 6.777 ( -0.772 0.000 6.758) 6.802 6.846 ( 5.377 0.000 -5.830) 7.931 6.914 ( -0.857 0.000 -4.584) 4.663 6.979 ( 3.563 0.000 1.062) 3.718 7.027 ( 7.435 0.000 -5.030) 8.977 7.045 ( 3.513 0.000 2.033) 4.059 7.077 ( -0.438 0.000 -0.980) 1.073 7.080 ( -5.421 0.000 5.163) 7.486 7.108 ( -3.226 0.000 0.870) 3.341 7.116 ( -3.970 0.000 0.648) 4.023 7.193 ( -8.320 0.000 -5.805) 10.145 7.294 ( 1.959 0.000 3.159) 3.717 7.314 ( 3.668 0.000 2.604) 4.498 7.334 ( -2.464 0.000 2.850) 3.768 7.359 ( -2.053 0.000 -0.373) 2.086 7.457 ( 2.394 0.000 1.120) 2.643 7.499 ( 1.698 0.000 -0.909) 1.926 7.509 ( -2.025 0.000 -2.053) 2.883 7.516 ( -0.198 0.000 -4.096) 4.101 7.604 ( 6.219 0.000 1.315) 6.357 7.620 ( 6.559 0.000 -0.267) 6.564 7.707 ( 2.694 0.000 2.266) 3.521 7.710 ( -3.256 0.000 0.267) 3.267 7.760 ( -1.659 0.000 0.044) 1.659 7.826 ( 7.327 0.000 -3.654) 8.187 7.842 ( -4.474 0.000 5.441) 7.044 7.857 ( 4.350 0.000 -1.292) 4.538 7.883 ( 5.683 0.000 -0.487) 5.704 7.925 ( -3.123 0.000 2.426) 3.954 7.949 ( 0.186 0.000 0.325) 0.375 7.977 ( -6.136 0.000 -6.990) 9.301 8.076 ( -0.878 0.000 1.729) 1.939 8.089 ( -1.149 0.000 3.772) 3.943 8.151 ( 1.382 0.000 -6.337) 6.486 8.187 ( -2.406 0.000 -4.681) 5.263 8.211 ( 5.756 0.000 1.050) 5.851 8.258 ( 4.093 0.000 -1.873) 4.501 8.297 ( 1.153 0.000 2.672) 2.910 8.307 ( -3.242 0.000 0.244) 3.252 8.351 ( 1.720 0.000 -1.700) 2.419 8.356 ( 2.543 0.000 -2.250) 3.396 8.408 ( -1.814 0.000 -0.848) 2.002 8.412 ( -4.421 0.000 -2.437) 5.048 8.520 ( 1.825 0.000 0.656) 1.940 8.527 ( 2.041 0.000 0.492) 2.099 8.568 ( -2.643 0.000 0.863) 2.780 8.570 ( -1.068 0.000 0.739) 1.299 8.715 ( 7.509 0.000 1.563) 7.670 8.727 ( 2.343 0.000 0.303) 2.363 8.797 ( -1.729 0.000 3.001) 3.463 8.829 ( 6.442 0.000 -0.315) 6.450 8.858 ( 5.190 0.000 -1.001) 5.285 8.866 ( -6.691 0.000 -2.146) 7.027 8.975 ( -7.162 0.000 1.580) 7.334 9.013 ( -7.764 0.000 -1.380) 7.886 9.144 ( 3.885 0.000 3.012) 4.916 9.174 ( 2.824 0.000 0.369) 2.848 9.193 ( -1.734 0.000 3.007) 3.471 9.238 ( 3.809 0.000 1.564) 4.118 9.243 ( -4.404 0.000 1.597) 4.685 9.307 ( -0.478 0.000 -2.511) 2.556 9.329 ( -2.927 0.000 -0.134) 2.930 9.336 ( -5.674 0.000 -0.458) 5.693 9.404 ( 0.622 0.000 5.096) 5.133 9.436 ( -1.808 0.000 3.587) 4.017 9.460 ( 0.092 0.000 -2.138) 2.140 9.478 ( -1.691 0.000 -2.884) 3.343 9.563 ( 1.889 0.000 1.585) 2.466 9.607 ( -2.835 0.000 2.316) 3.661 9.653 ( 2.159 0.000 -6.355) 6.712 9.692 ( -1.824 0.000 -5.321) 5.626 9.893 ( 4.754 0.000 1.309) 4.931 9.908 ( 5.463 0.000 0.122) 5.464 9.976 ( -3.538 0.000 2.881) 4.563 10.006 ( -3.997 0.000 0.207) 4.002 10.061 ( 4.413 0.000 3.537) 5.656 10.063 ( 2.052 0.000 2.020) 2.880 10.073 ( 0.979 0.000 1.026) 1.418 10.114 ( -1.116 0.000 -1.586) 1.939 10.211 ( 1.929 0.000 0.777) 2.080 10.240 ( -0.436 0.000 3.051) 3.082 10.258 ( 4.260 0.000 -2.577) 4.979 10.291 ( 0.537 0.000 -0.349) 0.641 10.577 ( 0.580 0.000 0.956) 1.118 10.602 ( 1.735 0.000 -1.055) 2.030 10.614 ( -2.924 0.000 -1.864) 3.467 10.643 ( -2.280 0.000 -3.131) 3.873 10.796 ( 4.193 0.000 5.413) 6.847 10.864 ( -2.433 0.000 6.803) 7.225 10.910 ( 4.255 0.000 -5.762) 7.163 10.971 ( -1.265 0.000 -3.932) 4.131 11.253 ( 1.158 0.000 6.948) 7.044 11.306 ( -4.103 0.000 5.458) 6.829 11.383 ( 1.379 0.000 -6.545) 6.688 11.418 ( -2.067 0.000 -6.007) 6.352 13.971 ( 2.951 0.000 2.285) 3.732 14.011 ( 3.637 0.000 -1.851) 4.081 14.027 ( -3.027 0.000 3.196) 4.402 14.077 ( -3.238 0.000 -1.999) 3.805 14.232 ( 1.607 0.000 1.911) 2.497 14.257 ( 2.756 0.000 -0.875) 2.891 14.265 ( -1.856 0.000 2.777) 3.340 14.307 ( -1.945 0.000 -2.221) 2.953 14.340 ( 6.752 0.000 3.825) 7.760 14.414 ( 6.281 0.000 -3.670) 7.275 14.471 ( -6.407 0.000 4.626) 7.902 14.554 ( -7.393 0.000 -3.717) 8.275 14.836 ( 10.548 0.000 3.031) 10.975 14.873 ( 8.019 0.000 0.004) 8.019 14.938 ( 4.226 0.000 0.525) 4.259 14.990 ( 2.675 0.000 -5.252) 5.894 15.032 ( -5.205 0.000 2.715) 5.871 15.073 ( -9.844 0.000 2.828) 10.242 15.093 ( -8.914 0.000 -3.193) 9.469 15.116 ( -7.296 0.000 -1.842) 7.525 15.679 ( 1.859 0.000 4.411) 4.786 15.713 ( -1.431 0.000 6.113) 6.278 15.776 ( 4.197 0.000 -5.737) 7.108 15.841 ( -2.414 0.000 -7.259) 7.650 16.223 ( 0.931 0.000 0.576) 1.095 16.234 ( 0.123 0.000 0.845) 0.853 16.236 ( 1.216 0.000 -0.459) 1.299 16.254 ( -0.233 0.000 -1.111) 1.135 16.295 ( 2.652 0.000 -0.086) 2.654 16.304 ( 1.295 0.000 -0.518) 1.395 16.345 ( -2.279 0.000 -0.003) 2.279 16.352 ( -2.634 0.000 -1.139) 2.870 ======================= Grid point 55 (22/27) ======================= q-point: ( 0.00 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( 0.000 14.211 24.319) 28.167 1.286 ( 0.000 15.218 23.931) 28.360 1.677 ( 0.000 8.821 -22.275) 23.958 1.715 ( 0.000 10.634 -21.152) 23.675 1.979 ( 0.000 15.922 35.275) 38.702 2.267 ( 0.000 -13.228 6.394) 14.692 2.307 ( 0.000 -15.087 9.508) 17.833 2.387 ( 0.000 -8.910 -5.962) 10.720 2.468 ( 0.000 -6.079 -11.270) 12.805 2.546 ( 0.000 -2.201 1.222) 2.518 2.580 ( 0.000 -0.705 -2.219) 2.328 2.586 ( 0.000 -0.872 -17.493) 17.515 2.684 ( 0.000 -4.050 0.829) 4.134 2.694 ( 0.000 6.834 1.379) 6.971 2.724 ( 0.000 -3.373 -4.115) 5.321 2.743 ( 0.000 2.840 -3.447) 4.466 2.839 ( 0.000 0.769 4.490) 4.555 2.927 ( 0.000 1.354 -4.313) 4.520 2.940 ( 0.000 -3.905 4.523) 5.976 2.990 ( 0.000 1.726 4.981) 5.272 3.009 ( 0.000 -4.882 -2.779) 5.617 3.105 ( 0.000 4.170 -5.251) 6.705 3.186 ( 0.000 -0.566 4.857) 4.890 3.220 ( 0.000 -5.014 1.275) 5.173 3.296 ( 0.000 1.293 5.834) 5.976 3.401 ( 0.000 1.131 -2.318) 2.580 3.411 ( 0.000 1.490 -6.136) 6.314 3.448 ( 0.000 2.244 -5.431) 5.876 3.490 ( 0.000 2.065 2.603) 3.323 3.539 ( 0.000 0.946 -3.046) 3.190 3.584 ( 0.000 -0.707 2.335) 2.439 3.640 ( 0.000 1.530 -2.610) 3.025 3.664 ( 0.000 3.872 2.163) 4.435 3.725 ( 0.000 -1.437 -4.066) 4.312 3.784 ( 0.000 -1.983 7.178) 7.447 3.858 ( 0.000 1.923 4.188) 4.608 3.875 ( 0.000 -2.762 -0.980) 2.931 3.897 ( 0.000 1.323 0.680) 1.488 3.918 ( 0.000 1.228 3.416) 3.630 3.941 ( 0.000 1.672 -2.070) 2.661 3.988 ( 0.000 1.700 -5.253) 5.521 4.018 ( 0.000 -0.509 -5.184) 5.209 4.153 ( 0.000 1.936 6.358) 6.646 4.189 ( 0.000 -2.722 3.494) 4.429 4.281 ( 0.000 0.999 0.431) 1.088 4.286 ( 0.000 1.925 2.818) 3.412 4.334 ( 0.000 -1.579 6.863) 7.042 4.353 ( 0.000 1.893 -1.525) 2.430 4.385 ( 0.000 3.382 1.990) 3.924 4.396 ( 0.000 2.573 2.040) 3.284 4.438 ( 0.000 -0.285 -8.591) 8.596 4.456 ( 0.000 2.374 -1.086) 2.611 4.467 ( 0.000 -0.356 -0.227) 0.422 4.517 ( 0.000 2.914 -2.398) 3.774 4.522 ( 0.000 3.986 4.853) 6.280 4.623 ( 0.000 1.607 -4.807) 5.069 4.665 ( 0.000 -1.863 4.216) 4.610 4.741 ( 0.000 -0.842 -2.230) 2.384 4.759 ( 0.000 1.779 2.947) 3.443 4.769 ( 0.000 1.543 6.082) 6.274 4.794 ( 0.000 2.679 0.225) 2.689 4.844 ( 0.000 3.276 2.527) 4.137 4.847 ( 0.000 -4.738 0.003) 4.738 4.886 ( 0.000 -3.486 -3.987) 5.296 4.895 ( 0.000 1.740 -0.272) 1.761 4.921 ( 0.000 2.242 -2.972) 3.723 4.935 ( 0.000 -0.672 2.335) 2.429 5.016 ( 0.000 -1.940 -4.869) 5.241 5.035 ( 0.000 -1.462 6.573) 6.734 5.038 ( 0.000 3.394 2.579) 4.262 5.095 ( 0.000 2.914 -3.390) 4.470 5.165 ( 0.000 0.959 4.231) 4.338 5.181 ( 0.000 -3.395 -6.961) 7.745 5.199 ( 0.000 1.843 1.457) 2.349 5.324 ( 0.000 -2.563 7.042) 7.494 5.389 ( 0.000 -0.166 4.685) 4.688 5.396 ( 0.000 -0.743 3.796) 3.868 5.442 ( 0.000 -4.063 -2.905) 4.994 5.470 ( 0.000 0.317 -4.246) 4.258 5.493 ( 0.000 -3.206 -6.395) 7.154 5.573 ( 0.000 -2.044 -2.723) 3.405 5.620 ( 0.000 1.873 3.143) 3.659 5.639 ( 0.000 -0.030 -8.546) 8.546 5.640 ( 0.000 -0.026 0.597) 0.598 5.775 ( 0.000 0.672 4.419) 4.470 5.791 ( 0.000 0.220 3.182) 3.189 5.844 ( 0.000 3.530 -0.739) 3.607 5.883 ( 0.000 -2.244 0.737) 2.362 5.918 ( 0.000 0.070 -6.787) 6.788 5.963 ( 0.000 -2.119 -2.755) 3.476 5.978 ( 0.000 -4.023 -1.177) 4.192 6.032 ( 0.000 -0.438 1.649) 1.706 6.043 ( 0.000 -4.857 -4.841) 6.858 6.151 ( 0.000 -3.202 -4.723) 5.706 6.185 ( 0.000 -3.589 3.491) 5.007 6.215 ( 0.000 4.569 1.026) 4.683 6.221 ( 0.000 -2.558 2.702) 3.721 6.256 ( 0.000 6.087 -3.010) 6.790 6.288 ( 0.000 -1.002 -0.639) 1.189 6.308 ( 0.000 -4.490 -2.742) 5.261 6.328 ( 0.000 -3.489 -5.796) 6.765 6.357 ( 0.000 -0.541 -4.303) 4.337 6.443 ( 0.000 -0.230 6.144) 6.149 6.450 ( 0.000 0.376 0.933) 1.006 6.470 ( 0.000 0.044 1.464) 1.465 6.490 ( 0.000 -1.485 -1.701) 2.258 6.561 ( 0.000 -0.346 4.256) 4.270 6.596 ( 0.000 3.644 5.831) 6.876 6.643 ( 0.000 -7.010 -1.468) 7.162 6.655 ( 0.000 2.997 1.701) 3.446 6.715 ( 0.000 3.791 -1.242) 3.989 6.770 ( 0.000 -4.798 4.525) 6.596 6.771 ( 0.000 3.023 -7.698) 8.270 6.822 ( 0.000 -2.912 0.053) 2.913 6.890 ( 0.000 2.098 0.378) 2.131 6.908 ( 0.000 -6.441 0.628) 6.472 6.909 ( 0.000 2.449 -0.730) 2.555 6.937 ( 0.000 -7.455 -1.077) 7.532 7.057 ( 0.000 1.467 6.850) 7.005 7.143 ( 0.000 1.184 0.833) 1.447 7.178 ( 0.000 6.206 2.713) 6.773 7.198 ( 0.000 2.192 2.152) 3.072 7.230 ( 0.000 3.251 -2.038) 3.837 7.253 ( 0.000 3.029 -1.529) 3.393 7.257 ( 0.000 -3.729 0.592) 3.775 7.266 ( 0.000 -0.927 0.300) 0.974 7.353 ( 0.000 0.384 -0.186) 0.427 7.391 ( 0.000 -2.298 2.488) 3.388 7.410 ( 0.000 1.933 -0.664) 2.044 7.436 ( 0.000 0.730 1.990) 2.120 7.439 ( 0.000 0.804 -3.162) 3.263 7.543 ( 0.000 -1.370 -5.044) 5.227 7.562 ( 0.000 2.030 2.813) 3.469 7.609 ( 0.000 2.330 -1.987) 3.062 7.633 ( 0.000 3.637 0.211) 3.643 7.688 ( 0.000 2.585 -2.419) 3.541 7.706 ( 0.000 1.505 0.712) 1.664 7.755 ( 0.000 -2.591 -1.415) 2.952 7.756 ( 0.000 1.496 -3.623) 3.920 7.800 ( 0.000 -2.293 -4.915) 5.424 7.869 ( 0.000 -0.821 1.435) 1.654 7.885 ( 0.000 -1.164 3.309) 3.508 7.912 ( 0.000 -1.012 1.612) 1.904 7.934 ( 0.000 -0.319 -4.868) 4.878 8.023 ( 0.000 -0.882 0.797) 1.189 8.091 ( 0.000 -2.444 -4.690) 5.289 8.098 ( 0.000 -2.474 3.215) 4.057 8.142 ( 0.000 -7.221 1.108) 7.305 8.176 ( 0.000 -3.554 -2.056) 4.106 8.211 ( 0.000 -5.755 -4.558) 7.341 8.218 ( 0.000 -4.604 2.345) 5.167 8.254 ( 0.000 0.417 -0.618) 0.745 8.303 ( 0.000 0.441 1.457) 1.522 8.310 ( 0.000 -0.104 2.459) 2.462 8.339 ( 0.000 2.105 -2.026) 2.922 8.371 ( 0.000 3.582 -3.544) 5.039 8.482 ( 0.000 2.177 3.378) 4.019 8.547 ( 0.000 -1.879 1.109) 2.182 8.553 ( 0.000 1.823 -3.863) 4.272 8.569 ( 0.000 -0.926 -1.122) 1.455 8.784 ( 0.000 1.144 2.897) 3.115 8.788 ( 0.000 4.279 1.558) 4.554 8.803 ( 0.000 6.091 0.219) 6.095 8.820 ( 0.000 2.406 -0.603) 2.480 8.910 ( 0.000 -2.126 3.515) 4.108 8.983 ( 0.000 0.786 -3.908) 3.986 8.996 ( 0.000 2.766 6.085) 6.684 9.032 ( 0.000 -1.951 2.344) 3.050 9.118 ( 0.000 0.399 -1.895) 1.936 9.130 ( 0.000 0.260 -2.637) 2.649 9.215 ( 0.000 -2.127 3.086) 3.748 9.246 ( 0.000 -0.430 -0.112) 0.444 9.326 ( 0.000 0.693 1.662) 1.800 9.364 ( 0.000 1.339 -2.382) 2.733 9.380 ( 0.000 -3.422 7.099) 7.881 9.431 ( 0.000 0.776 3.169) 3.263 9.492 ( 0.000 -3.192 -4.587) 5.588 9.497 ( 0.000 2.867 -3.594) 4.598 9.518 ( 0.000 2.344 4.453) 5.032 9.603 ( 0.000 -0.376 -4.411) 4.427 9.628 ( 0.000 0.844 2.418) 2.561 9.685 ( 0.000 4.708 3.751) 6.019 9.697 ( 0.000 0.319 -3.953) 3.966 9.747 ( 0.000 1.220 -1.956) 2.305 9.770 ( 0.000 0.261 1.771) 1.790 9.800 ( 0.000 -0.923 -1.283) 1.581 9.884 ( 0.000 0.223 6.313) 6.317 9.917 ( 0.000 -1.355 1.806) 2.257 9.981 ( 0.000 -1.743 2.682) 3.199 10.009 ( 0.000 1.872 0.598) 1.965 10.030 ( 0.000 -1.290 -4.675) 4.850 10.063 ( 0.000 2.029 -7.248) 7.527 10.138 ( 0.000 1.767 2.099) 2.744 10.205 ( 0.000 -0.299 4.191) 4.202 10.207 ( 0.000 4.340 -4.560) 6.295 10.264 ( 0.000 1.974 -1.914) 2.750 10.496 ( 0.000 -6.375 4.452) 7.776 10.576 ( 0.000 -6.070 0.910) 6.138 10.584 ( 0.000 -4.452 -4.777) 6.530 10.585 ( 0.000 -3.600 0.388) 3.621 10.865 ( 0.000 7.680 5.878) 9.671 10.925 ( 0.000 7.300 3.186) 7.965 10.954 ( 0.000 8.253 -3.706) 9.047 10.970 ( 0.000 4.370 -0.953) 4.472 11.248 ( 0.000 -1.120 4.233) 4.379 11.349 ( 0.000 -2.740 -5.572) 6.209 11.387 ( 0.000 -3.973 1.837) 4.377 11.433 ( 0.000 -4.135 -2.796) 4.991 13.921 ( 0.000 2.852 0.790) 2.960 13.941 ( 0.000 2.338 -1.155) 2.608 14.125 ( 0.000 -1.836 1.051) 2.116 14.136 ( 0.000 -2.969 -0.162) 2.973 14.150 ( 0.000 0.060 3.903) 3.904 14.193 ( 0.000 0.262 2.707) 2.720 14.223 ( 0.000 0.907 0.500) 1.036 14.232 ( 0.000 1.836 -4.709) 5.054 14.362 ( 0.000 -1.659 -1.326) 2.124 14.393 ( 0.000 -1.306 -4.204) 4.402 14.411 ( 0.000 -6.866 10.692) 12.707 14.589 ( 0.000 -6.573 -7.463) 9.945 14.660 ( 0.000 4.451 6.932) 8.238 14.789 ( 0.000 6.244 -5.970) 8.639 14.878 ( 0.000 2.676 4.198) 4.979 14.976 ( 0.000 5.725 -6.553) 8.701 15.220 ( 0.000 -1.076 6.547) 6.634 15.222 ( 0.000 -4.355 7.132) 8.357 15.358 ( 0.000 -4.596 -6.538) 7.992 15.358 ( 0.000 -2.110 -7.494) 7.786 15.689 ( 0.000 0.414 1.418) 1.477 15.699 ( 0.000 0.050 4.782) 4.782 15.714 ( 0.000 0.971 -1.088) 1.458 15.789 ( 0.000 -1.044 -4.732) 4.846 16.159 ( 0.000 0.000 2.530) 2.530 16.185 ( 0.000 -0.244 0.124) 0.274 16.191 ( 0.000 -0.729 -0.464) 0.865 16.202 ( 0.000 -0.211 -2.176) 2.186 16.326 ( 0.000 0.469 2.260) 2.309 16.354 ( 0.000 0.046 1.469) 1.470 16.368 ( 0.000 0.552 -2.041) 2.114 16.388 ( 0.000 0.415 -2.109) 2.150 ======================= Grid point 56 (23/27) ======================= q-point: ( 0.20 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( 13.004 11.525 19.924) 26.437 1.402 ( 11.253 11.649 22.294) 27.556 1.745 ( 7.502 6.603 -19.050) 21.512 1.808 ( 8.214 8.485 -19.809) 23.062 2.135 ( 14.342 12.682 26.737) 32.885 2.224 ( -5.086 -8.976 5.731) 11.801 2.260 ( -5.764 -6.262 3.515) 9.208 2.378 ( -11.067 -1.791 -2.380) 11.461 2.417 ( 2.099 -10.682 -0.756) 10.913 2.477 ( -5.660 -2.557 -0.195) 6.214 2.507 ( -5.170 -2.873 -2.234) 6.323 2.556 ( -0.694 -2.317 -5.396) 5.913 2.645 ( -5.123 -3.571 0.431) 6.259 2.652 ( -5.095 -3.469 -3.484) 7.080 2.692 ( -5.014 -5.416 -4.122) 8.454 2.715 ( -2.931 -4.029 -2.352) 5.510 2.754 ( -6.873 -3.344 -1.514) 7.792 2.795 ( 1.709 3.077 -6.780) 7.639 2.971 ( 2.418 5.485 1.768) 6.250 3.006 ( 0.121 3.436 -0.768) 3.523 3.064 ( 1.233 -0.034 0.805) 1.473 3.100 ( -0.799 -0.486 -1.968) 2.179 3.181 ( -0.958 -0.669 1.878) 2.212 3.190 ( -3.149 -0.804 1.269) 3.489 3.371 ( 4.773 -1.198 2.884) 5.704 3.411 ( 0.783 -0.847 0.375) 1.213 3.443 ( 3.248 0.052 -5.253) 6.176 3.464 ( -0.321 -0.084 -3.032) 3.050 3.548 ( 3.114 0.899 -0.967) 3.383 3.558 ( 1.347 0.093 0.429) 1.417 3.593 ( 3.290 0.266 1.574) 3.656 3.636 ( 1.159 -0.505 -1.045) 1.641 3.721 ( 0.952 5.201 3.484) 6.332 3.737 ( 3.556 3.955 0.785) 5.376 3.809 ( 0.457 -0.144 2.037) 2.092 3.847 ( -1.171 2.080 1.815) 2.998 3.866 ( 1.496 2.049 1.330) 2.865 3.905 ( -0.213 2.872 -2.547) 3.845 3.935 ( 0.799 2.551 1.028) 2.864 3.990 ( 2.254 3.467 -0.406) 4.155 4.026 ( 7.031 1.658 -2.273) 7.573 4.068 ( 7.890 1.906 -2.713) 8.558 4.164 ( -3.755 -1.820 3.337) 5.343 4.205 ( -3.397 -0.919 -1.059) 3.675 4.248 ( 5.126 3.365 5.027) 7.929 4.311 ( -1.595 -0.659 4.954) 5.246 4.318 ( -0.171 0.485 -0.310) 0.601 4.375 ( 1.136 3.545 -0.920) 3.835 4.387 ( 1.702 0.817 -0.555) 1.968 4.393 ( 0.181 0.206 -0.198) 0.339 4.435 ( 1.926 0.374 1.674) 2.579 4.461 ( 3.188 2.272 -0.937) 4.025 4.502 ( 5.539 -1.944 6.029) 8.415 4.578 ( 2.278 1.324 0.266) 2.649 4.611 ( 4.789 3.236 -0.067) 5.780 4.678 ( 4.185 -1.927 1.107) 4.738 4.680 ( 1.830 0.990 1.500) 2.565 4.727 ( -1.234 -1.313 0.291) 1.825 4.747 ( 0.213 1.650 -0.078) 1.665 4.767 ( 2.140 2.360 1.928) 3.724 4.827 ( 0.788 1.870 0.425) 2.073 4.836 ( 0.825 -1.582 -2.435) 3.019 4.902 ( 3.196 1.149 0.702) 3.468 4.905 ( 3.302 -2.524 -1.585) 4.449 4.924 ( 3.457 -0.630 -0.401) 3.537 4.951 ( 4.115 1.502 -1.608) 4.666 4.984 ( -3.034 -0.013 3.416) 4.569 5.005 ( 3.319 1.087 -0.320) 3.507 5.041 ( 1.305 -1.161 1.212) 2.126 5.078 ( -0.052 0.791 -2.039) 2.188 5.093 ( 3.140 1.842 2.923) 4.668 5.150 ( -1.465 1.796 -0.159) 2.323 5.189 ( 0.483 2.412 0.508) 2.512 5.201 ( 0.403 0.491 -2.794) 2.865 5.318 ( -2.669 0.205 2.868) 3.923 5.321 ( -6.932 2.274 1.025) 7.367 5.332 ( -5.740 -1.177 2.698) 6.450 5.401 ( -3.867 -1.829 -2.488) 4.949 5.413 ( -2.266 -4.439 -2.199) 5.448 5.443 ( -9.082 -0.835 -5.205) 10.501 5.539 ( -1.068 -0.680 -3.017) 3.272 5.567 ( 1.738 -2.509 -5.139) 5.977 5.632 ( -0.176 -1.360 1.247) 1.853 5.656 ( -0.461 -0.254 -0.266) 0.590 5.774 ( -2.183 -3.352 3.376) 5.234 5.788 ( -1.011 -0.041 3.861) 3.991 5.828 ( -5.522 -0.416 -0.226) 5.542 5.860 ( -1.760 1.802 0.954) 2.694 5.863 ( -1.361 -2.244 -0.180) 2.631 5.931 ( -4.015 -3.385 -3.293) 6.199 5.970 ( -1.473 -4.451 -2.023) 5.106 5.994 ( -2.435 -2.263 -2.511) 4.167 6.024 ( -4.095 -2.043 -2.978) 5.460 6.074 ( -6.749 -0.677 -1.163) 6.882 6.085 ( -5.523 -0.056 -0.553) 5.551 6.140 ( -4.981 1.552 -2.356) 5.724 6.191 ( -2.619 -1.988 -0.361) 3.308 6.227 ( -2.790 -2.946 -0.997) 4.178 6.306 ( -0.128 -2.750 -2.508) 3.724 6.315 ( 0.779 -0.673 -0.871) 1.348 6.338 ( 0.994 -3.703 -0.263) 3.843 6.387 ( 0.157 -1.346 -1.440) 1.977 6.399 ( -3.151 -0.031 1.962) 3.712 6.458 ( -2.693 -2.909 -2.064) 4.469 6.484 ( 2.083 -2.417 4.353) 5.397 6.522 ( 3.129 1.391 1.250) 3.645 6.539 ( -2.538 1.202 3.402) 4.411 6.606 ( 2.143 -1.870 -0.380) 2.869 6.656 ( -3.291 -2.502 1.767) 4.496 6.672 ( -0.758 2.715 -1.620) 3.251 6.685 ( -0.933 0.847 1.583) 2.023 6.712 ( -0.366 1.624 -0.491) 1.736 6.785 ( 0.596 -0.392 2.796) 2.886 6.848 ( -1.335 -2.379 -1.436) 3.083 6.855 ( 0.096 2.403 -0.207) 2.414 6.875 ( 0.307 1.782 -3.612) 4.039 6.945 ( 1.325 1.511 0.555) 2.085 6.958 ( 3.034 0.572 0.186) 3.093 7.067 ( -0.347 -0.736 0.732) 1.094 7.097 ( -2.903 1.039 -1.033) 3.252 7.131 ( -2.355 4.735 2.729) 5.951 7.176 ( -2.169 1.436 -0.780) 2.715 7.232 ( -0.698 1.570 1.981) 2.623 7.258 ( 2.245 1.074 1.363) 2.837 7.285 ( 2.689 1.487 3.865) 4.937 7.290 ( 0.889 2.330 1.411) 2.865 7.381 ( 1.577 0.107 0.013) 1.581 7.399 ( -0.608 -0.083 -1.718) 1.825 7.432 ( 1.030 0.155 2.156) 2.394 7.458 ( 3.655 1.789 -0.114) 4.071 7.504 ( 2.884 -0.614 -3.365) 4.474 7.509 ( -1.960 1.768 -3.083) 4.058 7.553 ( 0.782 0.894 -0.153) 1.197 7.578 ( 0.059 1.576 -1.843) 2.426 7.657 ( 1.637 3.280 1.244) 3.872 7.694 ( 1.975 -0.290 -1.785) 2.678 7.732 ( -0.455 -1.108 0.573) 1.328 7.766 ( 2.438 0.286 0.906) 2.617 7.795 ( -0.112 -3.181 -4.810) 5.768 7.808 ( 3.160 -0.542 -0.909) 3.333 7.859 ( -1.445 -3.105 2.826) 4.441 7.867 ( 0.512 -0.952 -0.677) 1.276 7.914 ( 0.245 -2.677 -1.502) 3.079 7.985 ( 1.799 -3.105 -4.567) 5.808 8.059 ( 0.442 -3.012 2.258) 3.791 8.070 ( -1.219 -4.403 1.107) 4.700 8.096 ( -0.143 -1.508 1.034) 1.834 8.131 ( 1.834 -3.221 0.018) 3.706 8.152 ( -1.742 -4.288 -3.218) 5.637 8.176 ( -0.145 -2.141 -3.545) 4.143 8.277 ( 1.728 -4.578 1.315) 5.067 8.287 ( 1.066 1.199 1.261) 2.041 8.316 ( 1.353 1.609 0.023) 2.102 8.325 ( 1.386 -0.950 -1.709) 2.397 8.403 ( 3.212 -1.213 -0.214) 3.440 8.422 ( 4.337 0.559 -2.089) 4.846 8.477 ( 0.460 2.071 2.543) 3.312 8.533 ( -1.091 1.073 -2.343) 2.799 8.557 ( 2.151 -0.010 1.525) 2.637 8.596 ( 3.159 1.303 -2.292) 4.115 8.724 ( -2.807 2.194 2.822) 4.545 8.751 ( -3.371 1.121 0.459) 3.582 8.786 ( -1.463 4.812 0.689) 5.077 8.817 ( -0.302 4.242 -1.403) 4.478 8.911 ( -1.251 1.461 3.933) 4.378 8.980 ( -1.593 1.881 -3.020) 3.899 9.025 ( 0.700 -0.931 2.317) 2.593 9.036 ( 1.572 -2.127 0.330) 2.666 9.098 ( -1.452 -0.656 0.251) 1.613 9.132 ( 0.598 0.627 -1.526) 1.755 9.208 ( -0.537 -1.573 3.182) 3.590 9.234 ( -1.498 -0.542 0.420) 1.648 9.319 ( -1.130 -0.295 1.326) 1.767 9.322 ( -3.951 -0.488 1.071) 4.123 9.375 ( -2.006 -3.991 4.245) 6.162 9.402 ( -2.053 0.965 3.416) 4.100 9.458 ( -5.232 1.342 -2.280) 5.863 9.474 ( -0.393 0.699 -1.772) 1.945 9.502 ( -1.646 1.859 1.665) 2.989 9.541 ( -3.442 2.584 0.623) 4.349 9.582 ( -0.856 1.241 -0.169) 1.517 9.642 ( -1.762 1.442 -4.650) 5.177 9.675 ( -3.383 0.809 1.252) 3.697 9.729 ( -1.672 0.513 -3.665) 4.061 9.814 ( 4.611 0.975 0.830) 4.786 9.835 ( 3.689 0.971 -1.273) 4.022 9.954 ( 4.090 -1.681 3.642) 5.729 9.987 ( 6.268 -0.188 2.560) 6.773 10.004 ( 3.824 0.735 1.584) 4.204 10.033 ( 2.286 2.529 -0.184) 3.414 10.094 ( -0.642 0.849 1.526) 1.861 10.138 ( 6.759 -0.099 -2.480) 7.201 10.143 ( 0.719 1.525 -1.484) 2.246 10.198 ( 0.703 2.646 -2.383) 3.629 10.220 ( 1.718 0.727 2.606) 3.205 10.284 ( 1.343 1.869 -1.756) 2.895 10.502 ( 0.589 -5.221 4.488) 6.910 10.567 ( -0.633 -5.265 0.149) 5.305 10.586 ( 0.023 -3.066 -1.041) 3.238 10.605 ( 1.477 -5.261 -5.201) 7.543 10.851 ( -0.702 8.041 5.255) 9.632 10.930 ( 0.044 5.434 4.407) 6.997 10.949 ( 0.200 7.637 -3.907) 8.580 10.993 ( 1.495 3.812 -0.884) 4.189 11.237 ( -0.980 -1.501 5.001) 5.312 11.343 ( -0.964 -3.230 -4.421) 5.559 11.353 ( -2.812 -3.435 1.287) 4.622 11.418 ( -1.382 -3.754 -4.185) 5.789 13.944 ( 2.155 2.656 1.110) 3.596 13.968 ( 2.695 2.227 -1.299) 3.730 14.093 ( -2.636 0.832 3.367) 4.356 14.133 ( -0.471 -0.984 -0.513) 1.206 14.169 ( 1.827 -2.879 0.747) 3.491 14.191 ( -0.742 -0.352 -1.396) 1.620 14.248 ( 3.349 -0.542 2.893) 4.459 14.265 ( 1.170 0.238 1.502) 1.918 14.335 ( 1.638 2.466 -0.230) 2.969 14.357 ( -2.123 -2.604 -4.178) 5.361 14.529 ( 7.385 -6.195 4.413) 10.602 14.626 ( -2.911 2.719 5.056) 6.436 14.646 ( 4.818 -4.972 -4.714) 8.376 14.739 ( -4.056 4.249 -4.651) 7.493 14.904 ( 1.667 1.179 4.762) 5.181 15.006 ( 2.678 5.010 -6.503) 8.635 15.133 ( -6.267 -0.677 3.143) 7.043 15.158 ( -6.685 -3.302 1.611) 7.628 15.311 ( -3.195 1.410 -1.469) 3.789 15.325 ( -6.208 0.754 -1.479) 6.426 15.652 ( -1.295 -0.430 1.598) 2.102 15.679 ( 0.010 -1.159 -1.258) 1.710 15.717 ( 0.149 -0.901 3.479) 3.597 15.819 ( 0.395 -3.323 -6.378) 7.203 16.187 ( 2.188 -0.496 1.405) 2.647 16.202 ( 1.701 -0.262 0.321) 1.751 16.203 ( 1.201 -0.718 -0.274) 1.425 16.221 ( 1.843 -0.246 -1.714) 2.529 16.308 ( -1.254 1.055 1.641) 2.319 16.329 ( -1.609 0.988 -0.222) 1.901 16.372 ( -0.550 -0.180 -0.365) 0.684 16.384 ( -0.811 -0.088 -1.518) 1.724 ======================= Grid point 57 (24/27) ======================= q-point: ( 0.40 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( 15.637 6.574 17.471) 24.351 1.678 ( 18.179 7.334 14.230) 24.223 1.927 ( 5.891 3.036 -6.220) 9.089 1.945 ( -1.864 3.726 0.205) 4.171 2.046 ( -0.373 3.541 -10.243) 10.844 2.066 ( -14.761 3.319 3.492) 15.527 2.161 ( -8.540 -1.469 -8.363) 12.043 2.242 ( -9.991 0.908 -9.498) 13.815 2.412 ( 1.603 -5.265 3.237) 6.385 2.461 ( -0.038 -5.794 3.617) 6.830 2.502 ( 1.206 -4.652 -3.959) 6.226 2.549 ( -1.202 -11.861 -0.370) 11.928 2.556 ( -1.648 -4.422 -2.285) 5.243 2.588 ( 2.766 -10.314 -0.530) 10.692 2.604 ( -2.356 -11.240 1.768) 11.620 2.645 ( -3.765 -9.954 -3.166) 11.103 2.740 ( 9.060 2.369 7.948) 12.283 2.920 ( 7.226 6.941 -5.790) 11.572 2.973 ( -6.951 4.506 4.267) 9.318 3.020 ( -1.141 5.781 -0.621) 5.926 3.041 ( 0.381 2.831 2.171) 3.588 3.081 ( 1.048 4.219 -1.377) 4.560 3.115 ( -3.983 3.206 0.756) 5.169 3.144 ( -3.252 3.772 -1.605) 5.233 3.411 ( 0.835 -2.446 1.392) 2.935 3.432 ( 0.753 -3.002 -0.071) 3.095 3.459 ( -0.389 -1.769 -1.937) 2.652 3.475 ( -0.372 -3.173 -2.330) 3.954 3.579 ( 2.414 -1.435 1.202) 3.055 3.611 ( 2.675 -2.881 -1.336) 4.152 3.629 ( -1.680 -0.979 2.468) 3.142 3.646 ( 1.019 -1.266 1.496) 2.209 3.747 ( 1.160 5.908 3.833) 7.138 3.760 ( -0.914 4.808 2.119) 5.333 3.801 ( 0.286 4.400 -2.381) 5.011 3.816 ( -1.540 3.508 -0.901) 3.936 3.891 ( 2.130 4.745 1.507) 5.415 3.941 ( 1.766 4.663 -0.762) 5.044 3.970 ( -0.963 9.049 -0.676) 9.125 4.017 ( -2.932 7.805 -3.422) 9.012 4.100 ( 5.150 1.256 4.283) 6.815 4.153 ( 3.545 -0.213 -1.740) 3.955 4.192 ( 1.346 1.930 1.978) 3.074 4.229 ( 0.780 1.465 -2.051) 2.638 4.284 ( 3.881 -1.273 2.178) 4.629 4.326 ( 2.256 -0.888 -1.789) 3.012 4.339 ( 2.177 0.739 3.781) 4.425 4.382 ( 3.725 2.350 -0.362) 4.419 4.402 ( 1.300 1.873 2.389) 3.302 4.424 ( -0.164 1.423 0.188) 1.445 4.492 ( -0.505 -0.516 2.737) 2.830 4.503 ( -3.939 0.851 1.411) 4.270 4.583 ( 1.437 0.580 3.838) 4.139 4.619 ( 4.943 -4.248 4.530) 7.937 4.660 ( 0.375 1.064 3.067) 3.268 4.699 ( 4.917 4.020 1.392) 6.502 4.710 ( 0.455 -0.499 1.133) 1.319 4.771 ( 1.518 -0.209 2.544) 2.970 4.805 ( 3.636 0.620 0.762) 3.766 4.830 ( 0.437 -1.318 -1.715) 2.207 4.837 ( -0.424 3.077 -1.783) 3.581 4.867 ( 2.525 0.876 -1.751) 3.195 4.891 ( -2.260 2.666 2.057) 4.056 4.949 ( 0.574 -0.428 -0.120) 0.726 4.964 ( -0.442 1.447 -3.059) 3.413 4.978 ( 2.998 -1.474 1.655) 3.728 4.988 ( 2.051 -0.124 -3.451) 4.017 5.024 ( -0.918 0.730 -1.079) 1.594 5.055 ( -1.275 2.599 -0.646) 2.966 5.074 ( -4.396 -0.454 1.123) 4.560 5.101 ( -3.906 2.514 0.368) 4.659 5.159 ( -3.729 1.112 -1.250) 4.087 5.191 ( 3.164 -0.885 -0.747) 3.369 5.215 ( 2.426 1.906 -1.593) 3.472 5.245 ( 4.005 -0.488 0.425) 4.057 5.277 ( 3.667 1.316 -2.718) 4.750 5.295 ( 1.084 0.250 1.319) 1.726 5.331 ( -0.977 -0.425 -1.821) 2.110 5.376 ( 4.762 -3.463 0.950) 5.964 5.424 ( 2.098 -3.172 -2.908) 4.788 5.470 ( -5.322 -1.251 0.089) 5.467 5.517 ( -7.319 -1.584 -3.875) 8.432 5.594 ( -10.089 -4.580 -0.021) 11.080 5.606 ( -11.064 -5.112 -0.789) 12.213 5.699 ( 0.936 -2.524 0.982) 2.866 5.727 ( 5.671 -2.892 -1.920) 6.649 5.791 ( -3.227 -0.599 4.140) 5.283 5.836 ( -1.092 -0.748 2.011) 2.407 5.840 ( -2.263 -4.188 3.261) 5.770 5.859 ( -5.280 1.240 -1.219) 5.559 5.904 ( 2.757 -0.961 -3.677) 4.695 5.932 ( -0.122 -2.444 2.573) 3.551 5.969 ( -5.078 -1.295 -4.401) 6.844 5.991 ( 0.305 -2.210 -2.035) 3.019 6.023 ( -2.034 -0.427 -2.142) 2.984 6.061 ( -3.148 -0.518 -4.542) 5.551 6.191 ( 1.801 -2.475 0.219) 3.069 6.200 ( -0.349 -1.125 -1.105) 1.615 6.248 ( -3.866 -4.483 0.051) 5.920 6.286 ( -4.369 -2.004 -3.263) 5.810 6.355 ( 0.139 -3.599 1.539) 3.917 6.368 ( 1.283 -0.823 0.445) 1.588 6.388 ( -0.660 -2.411 0.365) 2.526 6.408 ( -1.604 -3.903 -0.953) 4.326 6.477 ( -1.659 -0.335 2.272) 2.833 6.497 ( 2.368 -1.600 0.089) 2.859 6.523 ( -4.693 -2.349 3.636) 6.385 6.574 ( -4.879 0.958 -1.752) 5.272 6.625 ( 1.973 -2.226 3.150) 4.332 6.650 ( 0.098 -3.278 0.634) 3.340 6.695 ( 0.497 1.975 -2.252) 3.036 6.714 ( -0.895 -1.414 -3.243) 3.649 6.824 ( 2.304 5.655 4.554) 7.617 6.840 ( 0.252 6.278 2.747) 6.858 6.892 ( 3.257 2.575 -0.874) 4.243 6.916 ( 2.763 4.913 -2.680) 6.241 6.955 ( 0.425 1.454 1.476) 2.115 7.000 ( -1.227 -3.038 -0.341) 3.294 7.025 ( -2.822 -0.219 -0.724) 2.921 7.040 ( -2.524 2.879 -5.398) 6.618 7.152 ( 5.131 5.200 1.348) 7.428 7.185 ( 2.988 5.524 -1.176) 6.389 7.219 ( -1.181 5.169 2.147) 5.720 7.264 ( -3.289 3.177 -1.820) 4.921 7.309 ( 1.852 1.905 3.243) 4.192 7.327 ( 1.218 1.448 3.527) 4.002 7.359 ( -2.688 1.780 1.138) 3.419 7.369 ( -1.980 1.550 -0.383) 2.543 7.470 ( 2.647 0.385 0.287) 2.690 7.498 ( 0.803 -0.081 -1.495) 1.699 7.507 ( -0.050 2.212 -1.646) 2.758 7.527 ( 0.241 0.663 -1.631) 1.777 7.607 ( 4.736 0.044 2.363) 5.293 7.633 ( 4.045 0.217 -0.594) 4.094 7.687 ( 0.561 -1.179 0.990) 1.638 7.698 ( -1.813 -1.456 0.373) 2.355 7.745 ( -2.235 -1.039 0.205) 2.473 7.777 ( -2.211 -5.032 2.810) 6.173 7.788 ( 5.430 -4.137 -4.627) 8.247 7.860 ( 1.333 -1.831 0.388) 2.298 7.866 ( 1.339 -2.374 0.370) 2.750 7.893 ( -0.987 -3.191 -0.127) 3.343 7.909 ( 0.879 -1.122 -1.855) 2.339 7.949 ( -3.089 -2.015 -3.611) 5.161 8.051 ( 0.903 -3.299 2.371) 4.162 8.069 ( -0.484 -1.678 1.760) 2.479 8.117 ( -0.038 -3.351 -4.504) 5.614 8.126 ( -0.654 -5.532 -3.937) 6.822 8.168 ( 3.011 -2.959 1.154) 4.376 8.207 ( 3.564 -3.961 -1.666) 5.582 8.248 ( -3.933 -5.745 1.573) 7.138 8.281 ( -2.890 -3.921 -0.630) 4.911 8.338 ( 1.848 0.631 -0.474) 2.010 8.351 ( 1.556 -0.269 -0.715) 1.734 8.401 ( -1.576 -0.159 -1.344) 2.078 8.419 ( -3.639 0.556 -3.282) 4.932 8.543 ( 4.920 2.773 2.316) 6.105 8.575 ( 3.462 4.681 -0.739) 5.869 8.604 ( 0.400 2.541 1.618) 3.039 8.625 ( -1.726 4.568 -0.157) 4.885 8.733 ( 4.760 1.294 3.466) 6.029 8.757 ( 1.931 0.290 1.032) 2.209 8.781 ( 1.989 1.127 1.318) 2.639 8.834 ( 1.937 0.402 -3.573) 4.084 8.881 ( 0.006 3.095 1.099) 3.284 8.910 ( -3.589 2.838 -0.945) 4.672 8.971 ( -5.601 -0.282 -0.075) 5.608 8.994 ( -5.830 -1.506 -2.155) 6.395 9.132 ( 3.178 -0.607 3.309) 4.628 9.164 ( 2.220 -0.885 1.144) 2.650 9.191 ( -1.083 -0.445 1.748) 2.104 9.221 ( -0.351 -1.435 -0.984) 1.775 9.251 ( -0.955 -0.273 3.464) 3.604 9.282 ( -2.364 -2.082 -0.072) 3.151 9.309 ( -2.582 -3.230 1.065) 4.270 9.342 ( -4.706 -1.091 -1.216) 4.981 9.416 ( 1.441 2.950 4.765) 5.787 9.452 ( -1.999 2.161 3.945) 4.922 9.492 ( 0.480 1.740 -2.900) 3.415 9.506 ( -0.843 3.159 -2.258) 3.973 9.581 ( 0.509 1.576 1.144) 2.012 9.607 ( -2.314 0.610 1.153) 2.657 9.658 ( 1.605 0.166 -5.959) 6.174 9.692 ( -1.850 -0.028 -5.740) 6.031 9.913 ( 5.488 2.173 1.749) 6.156 9.936 ( 6.078 2.844 -0.031) 6.711 10.011 ( -3.830 3.427 2.826) 5.865 10.037 ( -1.310 1.310 1.839) 2.610 10.051 ( 2.145 0.841 2.448) 3.362 10.071 ( 1.842 0.011 1.324) 2.269 10.083 ( 2.489 1.275 2.602) 3.820 10.127 ( -1.777 0.961 -1.337) 2.423 10.215 ( 1.907 0.513 2.431) 3.132 10.243 ( -0.362 0.491 1.600) 1.713 10.266 ( 4.378 0.465 -1.789) 4.752 10.304 ( 0.290 1.482 -1.804) 2.353 10.516 ( 1.008 -4.082 3.280) 5.333 10.545 ( -1.773 -4.787 0.455) 5.125 10.595 ( 1.235 -2.413 -4.089) 4.906 10.618 ( -0.530 -3.329 -6.413) 7.245 10.862 ( 1.937 5.940 6.179) 8.787 10.908 ( -2.291 4.369 6.901) 8.483 10.975 ( 2.252 5.747 -5.402) 8.203 11.007 ( -0.464 3.547 -2.925) 4.620 11.229 ( 0.688 -2.336 6.295) 6.749 11.274 ( -3.816 -3.288 5.135) 7.193 11.353 ( 1.177 -3.162 -6.407) 7.241 11.385 ( -1.954 -3.433 -6.018) 7.198 13.991 ( 2.609 2.155 2.155) 4.012 14.028 ( 2.297 1.782 -0.293) 2.921 14.045 ( -1.374 1.940 1.601) 2.866 14.096 ( -2.997 1.843 -2.293) 4.200 14.197 ( 1.503 -3.038 1.581) 3.740 14.226 ( 3.155 -2.788 -1.274) 4.398 14.229 ( -1.657 -3.122 2.877) 4.557 14.291 ( -3.315 -2.260 -3.392) 5.254 14.376 ( 7.089 3.236 3.920) 8.723 14.439 ( 6.681 3.054 -1.969) 7.605 14.516 ( -5.954 4.028 3.846) 8.152 14.585 ( -6.492 2.384 -2.485) 7.349 14.729 ( 7.944 -5.928 2.490) 10.220 14.791 ( 8.107 -6.957 -3.470) 11.232 14.878 ( -5.736 -6.466 5.034) 10.003 14.960 ( -8.613 -6.363 -3.241) 11.188 15.084 ( 2.227 6.995 0.437) 7.354 15.113 ( 4.091 7.029 -2.578) 8.532 15.182 ( -7.182 6.601 2.073) 9.973 15.219 ( -6.038 5.412 -1.818) 8.310 15.654 ( 1.241 -2.264 3.159) 4.080 15.682 ( -1.213 -2.883 4.322) 5.335 15.738 ( 2.841 -3.731 -5.020) 6.869 15.795 ( -2.532 -4.608 -6.597) 8.436 16.221 ( 1.336 0.023 0.782) 1.548 16.228 ( 1.208 -0.341 0.290) 1.288 16.234 ( 0.952 -0.151 0.570) 1.120 16.250 ( 0.132 -0.409 -0.757) 0.871 16.304 ( 1.444 0.740 0.193) 1.634 16.313 ( 0.676 0.754 -0.529) 1.143 16.344 ( -2.183 -0.228 0.021) 2.195 16.352 ( -2.362 -0.135 -1.026) 2.579 ======================= Grid point 60 (25/27) ======================= q-point: ( 0.00 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( 0.000 19.756 18.226) 26.879 1.593 ( 0.000 16.326 18.680) 24.808 1.833 ( 0.000 0.629 -1.443) 1.574 1.940 ( 0.000 6.893 -15.908) 17.337 1.966 ( 0.000 -13.577 12.031) 18.140 2.054 ( 0.000 -2.749 -5.894) 6.504 2.190 ( 0.000 -11.562 -11.760) 16.492 2.235 ( 0.000 -9.682 -12.072) 15.475 2.392 ( 0.000 15.889 13.964) 21.153 2.520 ( 0.000 -0.304 1.140) 1.179 2.555 ( 0.000 -2.209 -3.290) 3.963 2.560 ( 0.000 -1.667 -2.987) 3.420 2.632 ( 0.000 1.003 3.560) 3.698 2.780 ( 0.000 -2.223 2.582) 3.407 2.783 ( 0.000 6.318 -7.467) 9.781 2.791 ( 0.000 1.485 0.726) 1.653 2.830 ( 0.000 -0.966 1.014) 1.400 2.841 ( 0.000 -2.780 0.870) 2.913 2.898 ( 0.000 -3.330 -4.617) 5.693 2.907 ( 0.000 -5.750 -4.054) 7.036 3.018 ( 0.000 1.214 6.767) 6.875 3.084 ( 0.000 -6.914 8.608) 11.040 3.148 ( 0.000 1.325 -4.224) 4.427 3.175 ( 0.000 -1.319 1.114) 1.726 3.362 ( 0.000 5.171 5.700) 7.696 3.427 ( 0.000 1.338 -2.624) 2.946 3.443 ( 0.000 0.175 -3.221) 3.226 3.446 ( 0.000 -2.896 -0.878) 3.026 3.523 ( 0.000 1.314 -1.050) 1.682 3.554 ( 0.000 -2.177 0.492) 2.232 3.575 ( 0.000 4.494 -7.428) 8.682 3.644 ( 0.000 -1.412 -5.216) 5.404 3.712 ( 0.000 1.751 3.402) 3.826 3.749 ( 0.000 -2.009 4.991) 5.380 3.776 ( 0.000 4.350 -1.749) 4.689 3.826 ( 0.000 -1.968 -1.687) 2.592 3.894 ( 0.000 2.444 3.326) 4.128 3.930 ( 0.000 1.077 0.157) 1.089 3.930 ( 0.000 -0.271 2.673) 2.686 3.961 ( 0.000 -2.371 -1.284) 2.697 4.002 ( 0.000 4.277 -0.948) 4.381 4.049 ( 0.000 3.191 -3.272) 4.571 4.105 ( 0.000 -5.497 2.191) 5.918 4.131 ( 0.000 -4.946 -1.630) 5.208 4.270 ( 0.000 0.992 7.969) 8.030 4.296 ( 0.000 -1.692 8.252) 8.424 4.354 ( 0.000 4.390 2.752) 5.181 4.417 ( 0.000 -1.835 -0.041) 1.835 4.424 ( 0.000 2.625 -1.965) 3.279 4.437 ( 0.000 0.441 1.398) 1.466 4.451 ( 0.000 1.835 -3.718) 4.147 4.453 ( 0.000 1.332 -6.516) 6.651 4.558 ( 0.000 6.832 2.015) 7.123 4.584 ( 0.000 1.666 4.586) 4.880 4.607 ( 0.000 4.132 -2.351) 4.754 4.629 ( 0.000 0.501 3.372) 3.409 4.640 ( 0.000 1.221 -1.706) 2.098 4.703 ( 0.000 -2.863 -2.994) 4.143 4.715 ( 0.000 -7.373 2.517) 7.791 4.748 ( 0.000 -4.487 -0.587) 4.525 4.775 ( 0.000 -0.091 6.938) 6.939 4.802 ( 0.000 -4.215 1.699) 4.544 4.864 ( 0.000 2.638 -4.584) 5.289 4.901 ( 0.000 -0.466 -4.606) 4.630 4.916 ( 0.000 3.226 5.393) 6.284 4.950 ( 0.000 0.694 3.709) 3.774 4.968 ( 0.000 1.102 1.911) 2.206 4.995 ( 0.000 1.883 -1.630) 2.491 5.080 ( 0.000 1.892 1.001) 2.141 5.092 ( 0.000 3.349 -1.187) 3.553 5.107 ( 0.000 0.356 -0.479) 0.597 5.143 ( 0.000 -2.080 -5.238) 5.636 5.284 ( 0.000 10.788 2.990) 11.195 5.284 ( 0.000 0.740 8.333) 8.365 5.310 ( 0.000 7.243 4.566) 8.562 5.349 ( 0.000 2.639 -0.101) 2.641 5.376 ( 0.000 0.694 2.653) 2.742 5.446 ( 0.000 -2.634 -1.572) 3.067 5.467 ( 0.000 -2.205 -5.076) 5.534 5.487 ( 0.000 0.583 -0.625) 0.855 5.495 ( 0.000 -4.861 -0.497) 4.886 5.564 ( 0.000 -7.903 -2.577) 8.313 5.598 ( 0.000 -4.710 -3.204) 5.697 5.622 ( 0.000 -2.322 -11.626) 11.855 5.741 ( 0.000 -1.680 1.878) 2.519 5.754 ( 0.000 -2.393 4.570) 5.159 5.792 ( 0.000 -2.308 -2.237) 3.214 5.856 ( 0.000 -7.540 -3.375) 8.261 5.938 ( 0.000 2.155 -0.943) 2.352 5.946 ( 0.000 3.755 2.212) 4.359 6.004 ( 0.000 1.277 -5.481) 5.628 6.011 ( 0.000 2.497 -2.397) 3.462 6.029 ( 0.000 2.961 1.840) 3.486 6.092 ( 0.000 -1.353 -3.654) 3.897 6.114 ( 0.000 -3.264 0.649) 3.328 6.130 ( 0.000 -6.934 -0.636) 6.963 6.172 ( 0.000 -1.932 2.867) 3.457 6.207 ( 0.000 -4.062 5.562) 6.887 6.235 ( 0.000 -0.433 -3.598) 3.623 6.302 ( 0.000 -5.613 -3.291) 6.507 6.362 ( 0.000 4.238 1.514) 4.501 6.415 ( 0.000 -1.442 5.002) 5.206 6.417 ( 0.000 5.277 -3.667) 6.426 6.490 ( 0.000 2.509 1.623) 2.988 6.494 ( 0.000 -1.155 -1.028) 1.546 6.522 ( 0.000 3.571 -0.947) 3.694 6.534 ( 0.000 -4.232 1.510) 4.493 6.579 ( 0.000 -0.004 -2.139) 2.139 6.667 ( 0.000 -2.606 3.808) 4.614 6.690 ( 0.000 5.376 3.771) 6.567 6.705 ( 0.000 -2.465 0.222) 2.475 6.738 ( 0.000 2.738 -1.997) 3.389 6.742 ( 0.000 -3.042 -2.926) 4.221 6.786 ( 0.000 1.487 -5.278) 5.483 6.814 ( 0.000 -4.480 1.316) 4.670 6.843 ( 0.000 -3.468 -1.376) 3.731 6.994 ( 0.000 8.017 2.799) 8.492 7.036 ( 0.000 9.051 -1.218) 9.133 7.134 ( 0.000 7.667 5.308) 9.325 7.139 ( 0.000 -6.497 3.170) 7.229 7.162 ( 0.000 -5.027 2.466) 5.599 7.182 ( 0.000 2.612 2.764) 3.803 7.224 ( 0.000 -2.068 1.711) 2.684 7.278 ( 0.000 2.080 -4.983) 5.400 7.290 ( 0.000 2.099 -3.458) 4.045 7.301 ( 0.000 0.641 -4.044) 4.095 7.329 ( 0.000 -6.444 -0.738) 6.486 7.341 ( 0.000 -4.673 -1.803) 5.009 7.438 ( 0.000 2.297 5.021) 5.522 7.456 ( 0.000 1.544 2.217) 2.701 7.519 ( 0.000 6.884 -4.112) 8.018 7.528 ( 0.000 0.527 0.315) 0.614 7.548 ( 0.000 -1.625 2.540) 3.015 7.607 ( 0.000 -2.927 -3.462) 4.534 7.615 ( 0.000 -1.600 -3.519) 3.866 7.652 ( 0.000 -5.400 -6.185) 8.211 7.741 ( 0.000 1.241 0.945) 1.560 7.760 ( 0.000 1.192 1.091) 1.616 7.786 ( 0.000 1.682 -0.186) 1.692 7.787 ( 0.000 0.358 -4.081) 4.097 7.886 ( 0.000 -0.451 0.663) 0.802 7.888 ( 0.000 1.940 1.431) 2.411 7.896 ( 0.000 2.529 4.362) 5.042 7.955 ( 0.000 -1.758 4.239) 4.589 7.986 ( 0.000 -3.777 -3.358) 5.054 8.017 ( 0.000 -0.974 -0.244) 1.004 8.068 ( 0.000 0.181 -4.425) 4.429 8.073 ( 0.000 -0.204 -4.229) 4.234 8.107 ( 0.000 -2.506 1.365) 2.854 8.118 ( 0.000 -4.193 3.503) 5.464 8.146 ( 0.000 -1.502 -2.321) 2.765 8.182 ( 0.000 -4.641 -2.732) 5.385 8.347 ( 0.000 3.442 2.639) 4.337 8.374 ( 0.000 2.674 3.462) 4.374 8.402 ( 0.000 4.313 -2.678) 5.077 8.442 ( 0.000 1.514 -2.822) 3.203 8.487 ( 0.000 -1.256 3.454) 3.675 8.489 ( 0.000 -2.395 1.739) 2.959 8.531 ( 0.000 -1.868 -1.841) 2.623 8.549 ( 0.000 -1.673 -2.894) 3.343 8.812 ( 0.000 1.169 4.015) 4.182 8.827 ( 0.000 -0.266 3.181) 3.192 8.867 ( 0.000 2.055 -0.949) 2.263 8.876 ( 0.000 0.856 -1.916) 2.099 8.932 ( 0.000 3.727 5.272) 6.457 8.982 ( 0.000 -2.335 4.498) 5.068 9.037 ( 0.000 3.950 -5.581) 6.837 9.068 ( 0.000 2.622 1.436) 2.990 9.095 ( 0.000 -0.034 -0.038) 0.051 9.152 ( 0.000 -3.900 5.784) 6.976 9.181 ( 0.000 3.053 -3.476) 4.626 9.225 ( 0.000 -1.589 -1.664) 2.301 9.321 ( 0.000 -1.146 2.265) 2.538 9.324 ( 0.000 -2.077 5.619) 5.990 9.360 ( 0.000 0.022 -1.602) 1.603 9.407 ( 0.000 -4.453 -2.757) 5.237 9.490 ( 0.000 4.341 2.503) 5.011 9.555 ( 0.000 2.528 -3.484) 4.304 9.556 ( 0.000 -1.172 0.468) 1.262 9.575 ( 0.000 -0.714 -0.613) 0.941 9.666 ( 0.000 2.646 0.593) 2.711 9.712 ( 0.000 1.515 -3.794) 4.086 9.718 ( 0.000 -2.653 1.041) 2.850 9.745 ( 0.000 -1.114 -1.542) 1.903 9.806 ( 0.000 4.107 1.720) 4.453 9.838 ( 0.000 4.010 -1.124) 4.165 9.871 ( 0.000 -2.306 3.381) 4.092 9.888 ( 0.000 -1.456 2.033) 2.501 9.957 ( 0.000 -0.017 5.294) 5.294 9.989 ( 0.000 -2.839 0.424) 2.871 10.065 ( 0.000 3.115 -4.553) 5.516 10.092 ( 0.000 0.433 -7.423) 7.436 10.181 ( 0.000 2.397 5.205) 5.730 10.205 ( 0.000 -0.104 5.992) 5.993 10.284 ( 0.000 3.142 -4.225) 5.265 10.298 ( 0.000 1.216 -3.099) 3.330 10.415 ( 0.000 -1.474 4.355) 4.597 10.460 ( 0.000 -5.501 2.509) 6.046 10.513 ( 0.000 -2.462 -5.455) 5.985 10.517 ( 0.000 -2.856 -2.240) 3.630 10.985 ( 0.000 4.715 7.891) 9.192 11.019 ( 0.000 1.684 6.978) 7.179 11.095 ( 0.000 7.603 -1.625) 7.774 11.104 ( 0.000 6.724 -4.894) 8.317 11.237 ( 0.000 0.205 -0.074) 0.218 11.284 ( 0.000 -2.848 -4.227) 5.097 11.287 ( 0.000 -6.263 1.593) 6.462 11.333 ( 0.000 -5.730 -3.135) 6.531 13.988 ( 0.000 4.056 0.401) 4.076 14.000 ( 0.000 3.875 -0.769) 3.951 14.066 ( 0.000 -4.162 0.337) 4.176 14.073 ( 0.000 -3.656 -0.383) 3.676 14.167 ( 0.000 1.689 4.810) 5.098 14.198 ( 0.000 -0.815 3.800) 3.886 14.239 ( 0.000 1.584 3.160) 3.535 14.268 ( 0.000 1.181 -5.660) 5.782 14.309 ( 0.000 -3.148 8.639) 9.194 14.327 ( 0.000 -2.239 -2.549) 3.392 14.393 ( 0.000 2.152 -5.843) 6.227 14.470 ( 0.000 -5.671 -7.658) 9.529 14.766 ( 0.000 6.382 8.951) 10.993 14.869 ( 0.000 -3.752 8.900) 9.658 14.927 ( 0.000 7.847 -7.135) 10.606 15.036 ( 0.000 -1.678 -8.884) 9.041 15.162 ( 0.000 -0.365 6.670) 6.680 15.191 ( 0.000 -1.990 5.322) 5.682 15.287 ( 0.000 -1.447 -6.142) 6.311 15.309 ( 0.000 -2.713 -6.297) 6.856 15.697 ( 0.000 0.393 1.850) 1.891 15.701 ( 0.000 -0.012 3.010) 3.010 15.738 ( 0.000 1.514 -2.389) 2.829 15.766 ( 0.000 -1.411 -3.768) 4.023 16.165 ( 0.000 0.506 1.403) 1.491 16.176 ( 0.000 -0.704 0.311) 0.769 16.184 ( 0.000 0.165 -0.668) 0.688 16.192 ( 0.000 -0.597 -1.642) 1.747 16.336 ( 0.000 0.640 2.363) 2.448 16.348 ( 0.000 -0.572 2.062) 2.140 16.379 ( 0.000 0.590 -2.010) 2.095 16.389 ( 0.000 -0.328 -2.050) 2.076 ======================= Grid point 61 (26/27) ======================= q-point: ( 0.20 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( 7.544 15.357 16.725) 23.926 1.670 ( 7.876 16.617 15.148) 23.824 1.877 ( 4.499 -0.129 -1.068) 4.626 1.976 ( 3.302 2.746 -12.148) 12.885 1.999 ( 3.841 -4.930 3.848) 7.339 2.088 ( 2.942 -6.866 -2.086) 7.755 2.197 ( 0.629 -8.768 -10.284) 13.529 2.242 ( 0.325 -12.042 -10.509) 15.986 2.401 ( -4.470 5.562 3.972) 8.166 2.424 ( -7.187 1.613 1.648) 7.548 2.481 ( -6.467 -4.512 -1.422) 8.012 2.486 ( -5.664 -2.054 -2.593) 6.559 2.596 ( -5.800 2.443 2.926) 6.941 2.632 ( -12.793 0.722 -1.413) 12.891 2.655 ( -10.693 -1.993 -1.216) 10.945 2.670 ( -11.390 -1.988 -1.757) 11.695 2.740 ( 1.189 7.340 7.710) 10.711 2.907 ( 7.822 4.526 -2.864) 9.480 2.977 ( 5.785 -6.355 1.684) 8.757 3.022 ( 4.882 -3.619 -0.613) 6.108 3.053 ( 3.450 3.282 2.404) 5.334 3.112 ( 0.963 0.744 0.197) 1.232 3.123 ( 0.955 -2.090 -0.016) 2.298 3.170 ( -0.017 -2.378 -0.495) 2.429 3.374 ( 0.911 1.441 2.321) 2.880 3.402 ( -1.558 -0.918 0.837) 1.993 3.444 ( 0.054 0.669 -4.742) 4.789 3.460 ( 0.175 -0.839 -4.559) 4.639 3.532 ( -1.103 -0.493 1.351) 1.812 3.563 ( -0.511 -1.740 3.064) 3.560 3.595 ( -0.605 1.346 -3.602) 3.892 3.631 ( -0.325 -0.387 -2.101) 2.162 3.780 ( 4.121 1.793 3.493) 5.692 3.794 ( 4.833 0.986 2.351) 5.464 3.834 ( 3.225 2.021 -1.696) 4.167 3.859 ( 5.610 0.479 -2.585) 6.195 3.942 ( 3.415 4.346 3.425) 6.502 3.976 ( 1.984 3.972 -0.953) 4.541 3.993 ( 6.075 1.303 4.059) 7.422 4.032 ( 2.484 -0.647 0.939) 2.733 4.045 ( 6.999 1.043 1.483) 7.230 4.086 ( 9.158 -0.969 2.626) 9.576 4.138 ( 2.795 0.638 -3.233) 4.321 4.172 ( 1.339 -2.093 -3.120) 3.988 4.292 ( 0.300 0.090 5.418) 5.427 4.300 ( 2.733 0.500 4.593) 5.367 4.359 ( 0.914 3.349 2.318) 4.174 4.389 ( -0.786 -0.131 -2.919) 3.026 4.398 ( -2.278 0.920 1.836) 3.068 4.438 ( 1.277 -1.601 3.904) 4.409 4.457 ( 0.023 3.709 -2.155) 4.290 4.500 ( -0.316 3.729 2.652) 4.587 4.510 ( 3.595 -1.315 -2.946) 4.830 4.551 ( -1.456 1.823 -0.740) 2.447 4.598 ( -0.503 -4.571 1.977) 5.006 4.646 ( -2.374 -4.506 -1.358) 5.271 4.707 ( 5.601 2.840 2.245) 6.669 4.727 ( 2.887 0.683 1.425) 3.291 4.759 ( 4.349 0.055 2.714) 5.127 4.794 ( 5.131 -3.565 -0.482) 6.266 4.826 ( 3.717 2.079 2.321) 4.850 4.848 ( 3.378 0.637 3.324) 4.782 4.894 ( 3.045 2.049 -4.554) 5.849 4.929 ( 1.102 1.061 0.600) 1.643 4.932 ( 1.127 0.753 1.005) 1.687 4.965 ( -0.580 -1.166 1.014) 1.650 4.972 ( 1.905 -1.239 -1.559) 2.756 4.998 ( 0.542 -0.458 -0.290) 0.767 5.078 ( 1.575 5.227 -0.772) 5.513 5.082 ( -0.466 1.350 0.198) 1.442 5.125 ( 1.413 -1.449 -1.881) 2.763 5.155 ( 0.840 -2.635 -2.637) 3.821 5.226 ( -3.378 4.538 5.395) 7.817 5.281 ( -3.345 2.559 3.685) 5.596 5.305 ( -4.060 2.034 0.958) 4.641 5.337 ( 2.554 6.257 5.132) 8.486 5.379 ( -0.589 1.644 -0.809) 1.925 5.407 ( -4.199 0.966 -3.807) 5.750 5.437 ( -3.947 3.699 -2.095) 5.801 5.446 ( -6.190 1.491 -1.732) 6.598 5.501 ( 0.661 -2.887 -2.130) 3.648 5.522 ( -2.204 -2.644 -2.959) 4.539 5.586 ( 0.742 -6.038 -4.235) 7.413 5.603 ( -3.820 -4.105 -4.867) 7.425 5.694 ( -4.389 -1.867 3.278) 5.787 5.732 ( -1.617 -4.402 1.872) 5.049 5.767 ( -3.266 -5.164 -1.280) 6.242 5.784 ( -6.552 -5.017 -3.249) 8.869 5.862 ( -5.755 -0.476 1.829) 6.058 5.877 ( -5.412 -0.845 -0.952) 5.559 5.919 ( -4.278 -1.135 -3.938) 5.924 5.944 ( -5.250 -3.398 -4.687) 7.815 6.008 ( -1.803 2.480 1.746) 3.528 6.056 ( -2.766 0.460 -1.181) 3.042 6.091 ( -4.694 -0.488 2.015) 5.132 6.107 ( -2.440 -3.127 -1.219) 4.150 6.160 ( 0.408 -0.539 0.292) 0.736 6.215 ( 0.311 -5.280 2.422) 5.817 6.237 ( -3.603 1.752 -4.569) 6.077 6.288 ( -0.533 -2.263 -4.702) 5.245 6.350 ( 0.316 2.201 2.237) 3.154 6.363 ( -1.834 3.342 0.788) 3.892 6.424 ( -0.730 -1.220 -0.237) 1.442 6.434 ( -2.898 -0.642 0.423) 2.999 6.473 ( -1.791 1.966 2.633) 3.742 6.513 ( -2.201 -0.855 1.525) 2.811 6.536 ( -1.432 -1.169 1.238) 2.225 6.558 ( -4.471 -4.419 2.090) 6.624 6.630 ( -0.229 2.036 0.842) 2.215 6.661 ( -3.683 -1.490 -1.485) 4.242 6.681 ( -4.529 -3.728 -0.841) 5.926 6.700 ( -0.734 -2.698 -2.893) 4.024 6.813 ( 6.458 3.511 1.937) 7.601 6.837 ( 5.156 3.444 0.618) 6.231 6.882 ( 4.055 -0.323 -1.221) 4.248 6.908 ( 4.767 -0.626 -2.597) 5.465 7.034 ( 2.083 6.945 2.651) 7.720 7.072 ( -2.599 5.824 3.218) 7.143 7.093 ( 3.179 6.157 -3.013) 7.556 7.144 ( -0.958 2.958 1.280) 3.362 7.154 ( -1.008 -1.023 -1.330) 1.957 7.163 ( 0.786 -1.690 1.238) 2.238 7.236 ( 0.864 -1.113 1.571) 2.110 7.287 ( 1.542 -0.711 -0.774) 1.866 7.302 ( 2.430 1.246 1.549) 3.140 7.333 ( 1.102 -1.766 -0.759) 2.216 7.364 ( 3.425 -2.669 -0.385) 4.359 7.368 ( 2.860 -1.861 -1.173) 3.608 7.463 ( 2.014 3.266 3.060) 4.908 7.492 ( 2.272 0.118 1.413) 2.678 7.515 ( 0.038 2.454 -2.055) 3.201 7.535 ( -0.431 0.163 0.450) 0.644 7.549 ( 0.932 2.225 0.127) 2.416 7.596 ( 0.635 0.776 -2.476) 2.672 7.634 ( 1.246 -4.888 -0.675) 5.089 7.676 ( 1.818 -7.631 -6.102) 9.938 7.704 ( -1.393 0.997 0.017) 1.713 7.717 ( -2.042 1.095 -0.877) 2.477 7.764 ( -2.250 -1.793 -1.505) 3.247 7.788 ( -1.733 -0.840 -2.879) 3.463 7.851 ( -0.062 2.472 3.503) 4.288 7.882 ( -1.266 0.573 1.000) 1.712 7.911 ( 0.584 1.880 0.136) 1.974 7.952 ( -2.429 -4.108 -1.479) 4.996 7.960 ( 0.556 0.255 1.386) 1.515 8.021 ( 0.344 -3.328 1.608) 3.712 8.053 ( -2.154 -1.251 -4.316) 4.983 8.072 ( -0.385 -2.052 -3.542) 4.112 8.125 ( 2.318 0.312 1.832) 2.971 8.150 ( 1.342 -0.510 0.382) 1.486 8.176 ( 0.476 -3.660 0.899) 3.799 8.212 ( 0.490 -5.110 -2.112) 5.551 8.367 ( 0.854 3.244 1.336) 3.611 8.388 ( 0.757 3.987 1.104) 4.205 8.410 ( 0.303 0.899 0.260) 0.983 8.451 ( 0.043 -0.563 -1.774) 1.862 8.496 ( 2.009 0.333 2.434) 3.174 8.515 ( 3.910 -1.589 2.361) 4.836 8.549 ( 3.374 0.486 -2.696) 4.346 8.584 ( 4.382 -2.012 -3.767) 6.119 8.785 ( -1.587 3.769 2.757) 4.932 8.794 ( -2.556 2.733 1.536) 4.046 8.848 ( -2.603 0.072 0.439) 2.640 8.859 ( -1.067 -0.997 0.326) 1.496 8.942 ( 0.559 2.853 3.070) 4.229 8.987 ( -0.606 -1.529 1.982) 2.576 9.025 ( -1.196 2.126 -4.889) 5.463 9.046 ( -2.526 0.596 -2.810) 3.825 9.098 ( 0.921 1.713 4.093) 4.532 9.143 ( -0.882 -1.563 4.033) 4.414 9.179 ( 0.118 0.868 -1.621) 1.842 9.213 ( -1.146 -1.632 -1.498) 2.494 9.294 ( -3.510 -1.596 2.423) 4.554 9.298 ( -2.576 -1.852 3.693) 4.868 9.319 ( -3.377 -0.396 0.219) 3.407 9.360 ( -3.634 -3.816 -0.616) 5.305 9.499 ( -0.790 2.891 0.720) 3.083 9.521 ( -1.284 1.574 -0.346) 2.061 9.537 ( -1.907 1.622 1.245) 2.796 9.570 ( -0.275 -1.033 -1.954) 2.227 9.609 ( -2.757 3.088 2.554) 4.864 9.658 ( -3.599 -1.522 0.132) 3.910 9.694 ( -2.223 2.273 -4.217) 5.281 9.729 ( -2.095 -0.990 -5.020) 5.529 9.855 ( 4.891 3.042 1.308) 5.907 9.878 ( 5.483 3.570 -0.562) 6.567 9.912 ( 4.409 -2.774 2.602) 5.823 9.947 ( 5.275 -3.238 0.302) 6.197 10.032 ( 5.634 1.669 5.074) 7.764 10.057 ( 4.920 -0.538 2.053) 5.358 10.134 ( 0.829 1.794 -2.319) 3.047 10.144 ( 4.414 0.437 -4.740) 6.492 10.178 ( 1.501 2.812 4.874) 5.824 10.211 ( 0.713 -0.139 6.945) 6.982 10.282 ( -0.001 3.775 -3.942) 5.458 10.313 ( 1.007 0.607 -2.296) 2.580 10.433 ( 1.852 -1.462 2.764) 3.634 10.468 ( 0.728 -4.764 0.908) 4.904 10.516 ( 0.126 -2.576 -3.239) 4.141 10.527 ( 1.206 -3.235 -5.401) 6.410 10.977 ( -0.604 5.075 7.472) 9.053 11.023 ( 0.462 1.270 6.113) 6.261 11.068 ( -2.552 6.530 1.203) 7.114 11.099 ( -0.553 5.673 -5.042) 7.610 11.222 ( -1.601 0.094 1.773) 2.390 11.256 ( -1.679 -4.823 -0.930) 5.191 11.279 ( -1.128 -3.232 -3.107) 4.623 11.327 ( -0.908 -5.464 -4.491) 7.131 14.007 ( 1.739 3.837 0.820) 4.291 14.025 ( 2.449 3.697 -0.990) 4.544 14.080 ( 1.340 -3.822 0.801) 4.128 14.093 ( 1.668 -2.864 -0.296) 3.328 14.140 ( -1.372 1.658 3.870) 4.428 14.190 ( -1.332 -2.748 3.887) 4.943 14.227 ( -2.365 2.338 -4.176) 5.338 14.282 ( -0.178 -2.070 -4.502) 4.959 14.325 ( 3.140 1.793 4.039) 5.421 14.377 ( 6.107 -0.769 4.636) 7.706 14.443 ( 5.062 0.187 -3.372) 6.085 14.523 ( 4.953 -6.135 -6.314) 10.101 14.729 ( -3.729 6.372 7.674) 10.649 14.835 ( -4.177 -0.488 4.107) 5.878 14.867 ( -5.115 1.768 -0.840) 5.477 14.983 ( -5.992 -6.122 -5.382) 10.117 15.177 ( 1.923 4.910 2.084) 5.670 15.193 ( 0.615 3.815 0.950) 3.980 15.295 ( 0.182 -2.442 -2.541) 3.528 15.305 ( -0.692 -2.804 -2.932) 4.116 15.656 ( -2.690 1.054 1.311) 3.173 15.681 ( -2.502 -0.081 0.052) 2.504 15.696 ( -2.916 0.382 -0.777) 3.042 15.750 ( -2.193 -3.746 -4.308) 6.116 16.187 ( 2.005 0.242 1.206) 2.352 16.192 ( 1.540 -0.375 0.460) 1.650 16.201 ( 1.613 0.187 -0.308) 1.653 16.210 ( 1.693 -0.703 -1.129) 2.153 16.328 ( -0.722 0.978 1.881) 2.240 16.340 ( -0.849 -0.046 1.402) 1.640 16.369 ( -1.134 0.127 -1.428) 1.828 16.377 ( -1.220 -0.553 -1.640) 2.117 ======================= Grid point 62 (27/27) ======================= q-point: ( 0.40 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.826 ( 11.175 10.017 11.619) 18.980 1.871 ( 12.320 12.508 9.373) 19.902 1.984 ( 4.276 -1.181 0.223) 4.441 2.022 ( 0.594 2.209 -2.104) 3.108 2.086 ( -1.288 -1.343 -1.580) 2.441 2.124 ( 1.278 2.940 -2.381) 3.993 2.156 ( -7.826 5.005 0.378) 9.297 2.221 ( 2.796 -11.139 1.878) 11.637 2.288 ( -5.015 0.992 -4.807) 7.017 2.323 ( 0.515 -7.689 -3.287) 8.378 2.346 ( -6.263 -7.897 -2.384) 10.358 2.404 ( -3.562 -6.782 -4.133) 8.704 2.420 ( -7.545 -1.750 -4.467) 8.941 2.421 ( -5.124 -3.764 -7.040) 9.486 2.467 ( -8.856 -6.846 -3.445) 11.712 2.476 ( -7.492 -5.451 -5.852) 10.959 2.915 ( 11.620 11.318 11.758) 20.034 3.041 ( 3.341 1.269 4.285) 5.580 3.047 ( 1.151 3.184 2.018) 3.941 3.072 ( -0.159 0.427 4.048) 4.074 3.111 ( 2.490 1.512 0.035) 2.913 3.123 ( 1.161 4.266 -2.081) 4.887 3.152 ( 0.952 -0.155 -1.595) 1.864 3.176 ( -0.558 -0.789 -2.672) 2.841 3.397 ( 1.741 1.402 1.186) 2.530 3.404 ( 1.391 0.700 0.205) 1.571 3.442 ( -0.222 0.586 -2.036) 2.130 3.457 ( -0.983 -0.154 -2.979) 3.141 3.511 ( 0.257 -3.711 2.344) 4.397 3.531 ( -1.566 -3.120 0.113) 3.493 3.553 ( -2.157 -4.794 1.077) 5.367 3.588 ( -3.907 -4.636 -1.765) 6.314 3.853 ( 3.097 4.506 2.637) 6.070 3.863 ( 2.357 3.662 2.407) 4.976 3.885 ( 1.181 4.650 -1.003) 4.902 3.910 ( -0.439 2.904 -1.513) 3.304 4.005 ( 2.924 5.817 3.090) 7.207 4.020 ( 2.286 3.136 3.061) 4.942 4.082 ( 0.666 -1.010 0.685) 1.390 4.094 ( 1.600 -3.658 -0.327) 4.006 4.166 ( 3.113 7.009 1.520) 7.819 4.179 ( 4.904 6.366 0.167) 8.038 4.222 ( 2.894 0.535 1.597) 3.348 4.242 ( 1.449 -0.684 -0.707) 1.751 4.284 ( 1.259 2.020 2.920) 3.767 4.320 ( 1.514 0.903 -0.371) 1.801 4.354 ( -2.250 -0.427 3.546) 4.222 4.387 ( -1.062 -1.661 -0.949) 2.188 4.436 ( 4.710 1.305 3.126) 5.801 4.489 ( 4.693 1.745 1.778) 5.314 4.495 ( 1.931 3.005 3.160) 4.769 4.525 ( 2.463 -2.156 4.167) 5.299 4.539 ( -1.051 0.582 3.250) 3.465 4.562 ( 1.050 -0.505 -0.363) 1.220 4.620 ( 2.099 -6.000 -0.984) 6.432 4.639 ( 1.151 -4.412 -1.100) 4.690 4.768 ( 3.006 2.905 4.826) 6.385 4.793 ( 2.680 0.633 3.179) 4.206 4.841 ( -1.523 2.170 0.061) 2.652 4.845 ( 1.933 2.727 2.090) 3.942 4.875 ( 1.015 0.493 3.323) 3.509 4.915 ( 3.995 -1.180 -0.266) 4.174 4.939 ( 0.400 1.846 -1.046) 2.159 4.941 ( 2.174 1.821 -1.366) 3.148 4.958 ( 0.281 0.574 -1.237) 1.392 4.976 ( 2.891 -0.325 -3.280) 4.384 4.996 ( -0.477 0.610 -1.999) 2.144 5.004 ( 1.773 -1.412 -2.842) 3.636 5.083 ( -1.406 1.407 0.734) 2.120 5.096 ( -4.259 0.808 -0.602) 4.376 5.141 ( -0.570 1.834 -2.751) 3.355 5.161 ( -2.729 -0.856 -4.026) 4.939 5.200 ( -1.720 1.218 0.993) 2.329 5.221 ( 4.722 -0.731 -1.111) 4.905 5.250 ( 2.750 -0.244 -1.465) 3.125 5.267 ( 1.421 -1.107 -1.013) 2.066 5.300 ( -6.070 1.959 0.911) 6.443 5.356 ( -6.144 2.179 -3.953) 7.624 5.371 ( -4.587 -3.447 2.968) 6.460 5.413 ( 0.424 5.273 -0.678) 5.333 5.440 ( -6.825 -3.283 -0.847) 7.621 5.480 ( -1.080 0.645 -1.200) 1.738 5.515 ( -3.904 -0.217 -2.845) 4.836 5.547 ( -3.650 -1.342 -2.156) 4.447 5.638 ( -2.466 -3.115 1.965) 4.432 5.655 ( -1.931 -3.523 0.215) 4.023 5.693 ( -0.547 -7.468 -2.732) 7.971 5.727 ( -3.041 -7.896 -3.684) 9.229 5.806 ( 3.919 0.642 5.412) 6.713 5.842 ( 1.827 -2.083 3.048) 4.119 5.915 ( -0.396 -1.104 -0.360) 1.227 5.916 ( 0.709 -1.198 -2.443) 2.812 5.948 ( -4.850 1.920 1.296) 5.375 5.968 ( -2.814 0.529 -2.787) 3.996 6.016 ( -2.038 -0.360 -4.619) 5.061 6.031 ( -4.367 -1.931 -3.934) 6.187 6.176 ( 0.995 1.374 0.722) 1.844 6.204 ( 1.670 -0.582 -1.500) 2.319 6.220 ( -0.762 0.634 -0.664) 1.193 6.248 ( -2.921 -2.843 -3.452) 5.341 6.312 ( -2.607 0.033 1.934) 3.246 6.330 ( -2.517 -1.298 0.536) 2.882 6.355 ( -5.401 -2.156 -0.321) 5.825 6.361 ( -5.100 -1.405 -0.806) 5.351 6.458 ( 0.778 0.332 4.022) 4.110 6.483 ( 1.511 -0.230 4.208) 4.477 6.496 ( -1.289 -0.199 6.341) 6.473 6.525 ( 0.097 -4.068 3.631) 5.454 6.606 ( -1.084 -0.530 -1.607) 2.009 6.617 ( -0.256 0.881 -4.344) 4.440 6.653 ( -0.055 -2.636 -4.598) 5.300 6.680 ( -1.783 -2.882 -5.384) 6.362 6.913 ( 3.156 2.678 2.701) 4.942 6.920 ( 2.828 1.436 4.140) 5.215 6.927 ( 0.964 2.193 2.837) 3.713 6.963 ( -0.219 -1.184 1.841) 2.200 7.028 ( 1.296 4.964 -0.544) 5.159 7.054 ( 1.338 3.617 -3.008) 4.891 7.083 ( -3.669 4.501 -4.360) 7.261 7.102 ( -2.196 2.449 -5.789) 6.658 7.233 ( 5.915 3.486 1.742) 7.083 7.236 ( 4.688 2.382 1.561) 5.485 7.271 ( 1.302 0.497 2.083) 2.506 7.308 ( -1.890 1.270 0.174) 2.283 7.333 ( 2.544 -0.184 1.454) 2.936 7.356 ( 1.255 -0.163 0.687) 1.440 7.380 ( -1.686 1.281 -0.350) 2.146 7.400 ( -1.213 -0.496 -1.760) 2.195 7.500 ( 0.600 3.604 2.829) 4.621 7.508 ( 0.357 1.723 3.665) 4.065 7.531 ( 2.898 1.490 0.520) 3.300 7.567 ( 3.063 -0.951 1.795) 3.676 7.592 ( 1.657 -2.134 1.796) 3.245 7.600 ( -0.041 1.618 -1.635) 2.301 7.648 ( -0.304 -6.619 -0.900) 6.687 7.684 ( -0.819 -2.956 -3.930) 4.986 7.702 ( 1.829 -0.155 -0.802) 2.003 7.716 ( -0.890 0.158 -1.274) 1.562 7.735 ( -0.527 -3.667 -2.120) 4.268 7.739 ( -2.265 -1.543 -0.578) 2.801 7.874 ( 1.764 2.588 1.070) 3.309 7.899 ( 3.406 0.874 -1.268) 3.738 7.918 ( -0.836 0.647 0.332) 1.108 7.932 ( 0.339 0.771 -1.148) 1.424 7.978 ( 1.661 -3.070 -0.547) 3.534 8.006 ( -1.256 -4.218 -2.444) 5.034 8.012 ( -1.323 -3.953 1.061) 4.301 8.048 ( -2.926 -4.656 -2.416) 6.007 8.140 ( -0.600 -0.063 0.116) 0.615 8.152 ( 0.689 -1.582 -0.843) 1.921 8.157 ( -1.757 -2.630 0.904) 3.290 8.182 ( -2.589 -4.387 -1.554) 5.326 8.371 ( 0.429 1.643 0.237) 1.715 8.378 ( -0.665 2.482 -0.426) 2.605 8.394 ( -1.144 -0.619 -0.280) 1.330 8.415 ( -2.771 -1.225 -1.573) 3.414 8.595 ( 6.462 2.537 2.691) 7.445 8.630 ( 5.645 -0.503 1.745) 5.930 8.648 ( 4.214 2.561 -2.212) 5.404 8.677 ( 1.411 -0.062 -2.471) 2.846 8.761 ( 1.652 2.459 3.084) 4.277 8.778 ( 0.210 2.713 2.408) 3.634 8.800 ( -1.118 0.194 1.344) 1.759 8.840 ( -1.603 -1.316 -1.128) 2.360 8.934 ( -0.494 2.159 -0.198) 2.223 8.948 ( -2.425 0.808 0.055) 2.556 8.973 ( -4.432 0.400 -2.120) 4.930 8.977 ( -3.516 -0.135 -3.250) 4.790 9.133 ( 2.386 0.896 3.375) 4.230 9.153 ( 2.539 -0.519 2.845) 3.848 9.187 ( -1.470 0.301 1.345) 2.015 9.197 ( 0.323 -0.743 -0.992) 1.281 9.223 ( -2.728 -1.692 2.777) 4.244 9.240 ( -0.813 -3.343 0.228) 3.448 9.252 ( -3.391 -0.257 -1.223) 3.614 9.290 ( -3.818 -3.441 -1.678) 5.407 9.481 ( 0.179 2.937 3.992) 4.959 9.502 ( -1.365 2.419 4.766) 5.516 9.515 ( -0.042 0.383 2.997) 3.022 9.542 ( -2.050 -0.313 1.703) 2.684 9.607 ( 1.744 2.207 -2.174) 3.555 9.647 ( 1.636 -1.434 -5.127) 5.569 9.649 ( -2.344 2.770 -5.443) 6.542 9.686 ( -2.192 -0.950 -6.382) 6.815 9.966 ( 6.221 3.136 2.933) 7.559 10.001 ( 6.009 3.595 0.387) 7.013 10.017 ( 5.654 -2.101 3.936) 7.203 10.051 ( 3.689 -1.424 1.451) 4.212 10.087 ( -3.106 2.625 2.400) 4.722 10.095 ( -0.886 2.632 2.169) 3.524 10.108 ( 0.337 0.352 2.031) 2.088 10.136 ( -3.102 -0.459 0.093) 3.137 10.234 ( 2.120 1.571 4.388) 5.120 10.264 ( 3.339 -0.647 0.542) 3.444 10.269 ( -0.708 2.407 0.481) 2.555 10.319 ( -1.192 -1.149 -0.857) 1.864 10.472 ( 1.698 -0.000 -0.723) 1.846 10.484 ( 0.547 -0.592 -1.242) 1.480 10.527 ( 1.170 -3.666 -4.976) 6.290 10.544 ( 0.044 -4.111 -5.924) 7.211 10.976 ( 0.799 5.628 7.000) 9.018 11.010 ( -2.539 6.111 5.696) 8.731 11.046 ( 1.403 -0.499 3.440) 3.748 11.079 ( -1.654 1.774 -1.698) 2.961 11.199 ( -0.150 0.268 2.010) 2.033 11.220 ( -2.031 0.503 -0.999) 2.318 11.272 ( 0.718 -5.166 -5.434) 7.532 11.299 ( -1.802 -5.401 -5.697) 8.055 14.045 ( 2.131 3.445 2.000) 4.518 14.076 ( 1.002 3.225 0.977) 3.516 14.092 ( 0.287 2.506 0.251) 2.535 14.109 ( 1.050 -2.415 1.115) 2.860 14.157 ( 0.339 -2.018 0.756) 2.182 14.168 ( 1.119 -3.235 -0.048) 3.424 14.174 ( -2.244 0.665 -2.658) 3.541 14.232 ( -3.475 -3.642 -4.044) 6.457 14.451 ( 8.041 4.719 4.486) 10.347 14.511 ( 7.164 3.098 0.506) 7.822 14.560 ( 5.668 -2.848 0.677) 6.379 14.591 ( -3.321 1.060 1.356) 3.740 14.682 ( 4.383 -2.030 -0.188) 4.834 14.720 ( -5.906 3.491 -1.238) 6.971 14.757 ( -6.262 -5.340 3.633) 8.996 14.835 ( -8.767 -6.632 -3.266) 11.468 15.215 ( 2.485 5.996 0.896) 6.552 15.233 ( 2.794 5.005 -0.721) 5.777 15.271 ( -2.714 2.043 0.656) 3.460 15.281 ( -1.744 0.416 -0.499) 1.861 15.624 ( -0.569 -0.209 0.413) 0.734 15.637 ( -1.752 -0.394 -0.793) 1.963 15.659 ( -0.022 -3.947 -2.711) 4.788 15.695 ( -3.029 -5.301 -4.696) 7.703 16.225 ( 1.621 0.240 0.957) 1.898 16.226 ( 1.786 0.117 0.958) 2.030 16.233 ( 1.236 0.123 0.491) 1.336 16.241 ( 0.825 -0.521 0.004) 0.976 16.318 ( 0.096 0.698 0.488) 0.857 16.324 ( -0.304 0.221 0.168) 0.411 16.339 ( -1.792 -0.099 -0.587) 1.888 16.345 ( -1.939 -0.565 -1.031) 2.267 =================== 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 3/30000 10.0 6197.862 6853.369 6625.239 0.000 0.000 0.000 3/30000 20.0 1050.303 1080.972 965.011 0.000 0.000 -0.000 3/30000 30.0 253.592 256.627 226.120 0.000 0.000 -0.000 3/30000 40.0 99.533 99.829 87.715 0.000 0.000 -0.000 3/30000 50.0 51.618 51.387 45.122 0.000 0.000 -0.000 3/30000 60.0 31.642 31.292 27.473 0.000 0.000 -0.000 3/30000 70.0 21.626 21.263 18.668 0.000 0.000 -0.000 3/30000 80.0 15.936 15.593 13.689 0.000 0.000 -0.000 3/30000 90.0 12.401 12.085 10.609 0.000 0.000 -0.000 3/30000 100.0 10.050 9.762 8.569 0.000 0.000 -0.000 3/30000 110.0 8.402 8.139 7.143 0.000 0.000 -0.000 3/30000 120.0 7.196 6.956 6.104 0.000 0.000 -0.000 3/30000 130.0 6.282 6.062 5.319 0.000 0.000 -0.000 3/30000 140.0 5.570 5.367 4.709 0.000 0.000 -0.000 3/30000 150.0 5.002 4.814 4.223 0.000 0.000 -0.000 3/30000 160.0 4.539 4.364 3.828 0.000 0.000 -0.000 3/30000 170.0 4.155 3.991 3.501 0.000 0.000 -0.000 3/30000 180.0 3.832 3.678 3.226 0.000 0.000 -0.000 3/30000 190.0 3.557 3.412 2.992 0.000 0.000 -0.000 3/30000 200.0 3.319 3.182 2.791 0.000 0.000 -0.000 3/30000 210.0 3.112 2.983 2.616 0.000 0.000 -0.000 3/30000 220.0 2.931 2.807 2.462 0.000 0.000 -0.000 3/30000 230.0 2.770 2.652 2.325 0.000 0.000 -0.000 3/30000 240.0 2.626 2.514 2.204 0.000 0.000 -0.000 3/30000 250.0 2.497 2.390 2.095 0.000 0.000 -0.000 3/30000 260.0 2.381 2.278 1.997 0.000 0.000 -0.000 3/30000 270.0 2.275 2.176 1.908 0.000 0.000 -0.000 3/30000 280.0 2.179 2.084 1.827 0.000 0.000 -0.000 3/30000 290.0 2.091 1.999 1.753 0.000 0.000 -0.000 3/30000 300.0 2.010 1.921 1.684 0.000 0.000 -0.000 3/30000 310.0 1.935 1.849 1.622 0.000 0.000 -0.000 3/30000 320.0 1.866 1.783 1.563 0.000 0.000 -0.000 3/30000 330.0 1.802 1.721 1.509 0.000 0.000 -0.000 3/30000 340.0 1.742 1.664 1.459 0.000 0.000 -0.000 3/30000 350.0 1.686 1.611 1.412 0.000 0.000 -0.000 3/30000 360.0 1.634 1.561 1.368 0.000 0.000 -0.000 3/30000 370.0 1.585 1.514 1.327 0.000 0.000 -0.000 3/30000 380.0 1.539 1.470 1.288 0.000 0.000 -0.000 3/30000 390.0 1.495 1.428 1.252 0.000 0.000 -0.000 3/30000 400.0 1.455 1.389 1.218 0.000 0.000 -0.000 3/30000 410.0 1.416 1.352 1.185 0.000 0.000 -0.000 3/30000 420.0 1.379 1.317 1.154 0.000 0.000 -0.000 3/30000 430.0 1.345 1.284 1.125 0.000 0.000 -0.000 3/30000 440.0 1.312 1.252 1.098 0.000 0.000 -0.000 3/30000 450.0 1.280 1.222 1.071 0.000 0.000 -0.000 3/30000 460.0 1.251 1.194 1.046 0.000 0.000 -0.000 3/30000 470.0 1.222 1.166 1.023 0.000 0.000 -0.000 3/30000 480.0 1.195 1.140 1.000 0.000 0.000 -0.000 3/30000 490.0 1.169 1.116 0.978 0.000 0.000 -0.000 3/30000 500.0 1.144 1.092 0.957 0.000 0.000 -0.000 3/30000 510.0 1.120 1.069 0.937 0.000 0.000 -0.000 3/30000 520.0 1.098 1.048 0.918 0.000 0.000 -0.000 3/30000 530.0 1.076 1.027 0.900 0.000 0.000 -0.000 3/30000 540.0 1.055 1.007 0.882 0.000 0.000 -0.000 3/30000 550.0 1.035 0.987 0.866 0.000 0.000 -0.000 3/30000 560.0 1.015 0.969 0.849 0.000 0.000 -0.000 3/30000 570.0 0.997 0.951 0.834 0.000 0.000 -0.000 3/30000 580.0 0.979 0.934 0.819 0.000 0.000 -0.000 3/30000 590.0 0.961 0.917 0.804 0.000 0.000 -0.000 3/30000 600.0 0.945 0.901 0.790 0.000 0.000 -0.000 3/30000 610.0 0.929 0.886 0.777 0.000 0.000 -0.000 3/30000 620.0 0.913 0.871 0.764 0.000 0.000 -0.000 3/30000 630.0 0.898 0.857 0.751 0.000 0.000 -0.000 3/30000 640.0 0.883 0.843 0.739 0.000 0.000 -0.000 3/30000 650.0 0.869 0.829 0.727 0.000 0.000 -0.000 3/30000 660.0 0.856 0.816 0.716 0.000 0.000 -0.000 3/30000 670.0 0.842 0.804 0.705 0.000 0.000 -0.000 3/30000 680.0 0.830 0.791 0.694 0.000 0.000 -0.000 3/30000 690.0 0.817 0.780 0.683 0.000 0.000 -0.000 3/30000 700.0 0.805 0.768 0.673 0.000 0.000 -0.000 3/30000 710.0 0.794 0.757 0.664 0.000 0.000 -0.000 3/30000 720.0 0.782 0.746 0.654 0.000 0.000 -0.000 3/30000 730.0 0.771 0.736 0.645 0.000 0.000 -0.000 3/30000 740.0 0.760 0.725 0.636 0.000 0.000 -0.000 3/30000 750.0 0.750 0.715 0.627 0.000 0.000 -0.000 3/30000 760.0 0.740 0.706 0.619 0.000 0.000 -0.000 3/30000 770.0 0.730 0.696 0.610 0.000 0.000 -0.000 3/30000 780.0 0.720 0.687 0.602 0.000 0.000 -0.000 3/30000 790.0 0.711 0.678 0.595 0.000 0.000 -0.000 3/30000 800.0 0.702 0.670 0.587 0.000 0.000 -0.000 3/30000 810.0 0.693 0.661 0.580 0.000 0.000 -0.000 3/30000 820.0 0.684 0.653 0.572 0.000 0.000 -0.000 3/30000 830.0 0.676 0.645 0.565 0.000 0.000 -0.000 3/30000 840.0 0.668 0.637 0.558 0.000 0.000 -0.000 3/30000 850.0 0.660 0.629 0.552 0.000 0.000 -0.000 3/30000 860.0 0.652 0.622 0.545 0.000 0.000 -0.000 3/30000 870.0 0.644 0.615 0.539 0.000 0.000 -0.000 3/30000 880.0 0.637 0.607 0.532 0.000 0.000 -0.000 3/30000 890.0 0.630 0.600 0.526 0.000 0.000 -0.000 3/30000 900.0 0.622 0.594 0.520 0.000 0.000 -0.000 3/30000 910.0 0.615 0.587 0.515 0.000 0.000 -0.000 3/30000 920.0 0.609 0.580 0.509 0.000 0.000 -0.000 3/30000 930.0 0.602 0.574 0.503 0.000 0.000 -0.000 3/30000 940.0 0.595 0.568 0.498 0.000 0.000 -0.000 3/30000 950.0 0.589 0.562 0.493 0.000 0.000 -0.000 3/30000 960.0 0.583 0.556 0.487 0.000 0.000 -0.000 3/30000 970.0 0.577 0.550 0.482 0.000 0.000 -0.000 3/30000 980.0 0.571 0.544 0.477 0.000 0.000 -0.000 3/30000 990.0 0.565 0.539 0.472 0.000 0.000 -0.000 3/30000 1000.0 0.559 0.533 0.467 0.000 0.000 -0.000 3/30000 Thermal conductivity related properties were written into "kappa-m555.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 01:05:34]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|