----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 04:37:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1 (4) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.662839871426725 0.000000000000000 0.000000000000000 b 0.000000000000000 5.883956000000001 0.000000000000000 c -0.238906212321082 0.000000000000000 9.920819031668374 Atomic positions (fractional): *1 K 0.00885305829298 0.49479253564650 0.69200898801255 39.098 2 K 0.99114694170702 0.99479253564651 0.30799101198745 39.098 *3 K 0.85790609893804 0.48146375611888 0.09192830446357 39.098 4 K 0.14209390106196 0.98146375611888 0.90807169553643 39.098 *5 K 0.30489269722882 0.50547093091449 0.41662421694292 39.098 6 K 0.69510730277118 0.00547093091449 0.58337578305708 39.098 *7 La 0.49044339718838 0.00955249326368 0.20903006145799 138.905 8 La 0.50955660281161 0.50955249326368 0.79096993854201 138.905 *9 As 0.25915955486990 0.00701859445538 0.58469907230942 74.922 10 As 0.74084044513010 0.50701859445538 0.41530092769058 74.922 *11 As 0.30427094280030 0.47732200836626 0.07304126194475 74.922 12 As 0.69572905719970 0.97732200836626 0.92695873805525 74.922 *13 O 0.95771999779151 0.51917993223770 0.39844572602699 15.999 14 O 0.04228000220849 0.01917993223770 0.60155427397301 15.999 *15 O 0.48188731589336 0.91365010907971 0.95217200029225 15.999 16 O 0.51811268410664 0.41365010907971 0.04782799970775 15.999 *17 O 0.78789828866144 0.00206994715542 0.08378041692309 15.999 18 O 0.21210171133856 0.50206994715542 0.91621958307691 15.999 *19 O 0.73233457871918 0.21458604271821 0.83473328375964 15.999 20 O 0.26766542128082 0.71458604271821 0.16526671624036 15.999 *21 O 0.77597493366932 0.74730760382108 0.84441107842985 15.999 22 O 0.22402506633068 0.24730760382108 0.15558892157015 15.999 *23 O 0.66133198625045 0.26406186453252 0.34273696600791 15.999 24 O 0.33866801374955 0.76406186453252 0.65726303399209 15.999 *25 O 0.64670111437517 0.73385193697621 0.33468551903291 15.999 26 O 0.35329888562483 0.23385193697621 0.66531448096709 15.999 *27 O 0.68083507539554 0.51106218471396 0.57943935162670 15.999 28 O 0.31916492460446 0.01106218471396 0.42056064837330 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.662839871426725 0.000000000000000 0.000000000000000 b 0.000000000000000 5.883956000000001 0.000000000000000 c -0.238906212321082 0.000000000000000 9.920819031668374 Atomic positions (fractional): *1 K 0.00885305829298 0.49479253564650 0.69200898801255 39.098 > 1 2 K 0.99114694170702 0.99479253564651 0.30799101198745 39.098 > 2 *3 K 0.85790609893804 0.48146375611888 0.09192830446357 39.098 > 3 4 K 0.14209390106196 0.98146375611888 0.90807169553643 39.098 > 4 *5 K 0.30489269722882 0.50547093091449 0.41662421694292 39.098 > 5 6 K 0.69510730277118 0.00547093091449 0.58337578305708 39.098 > 6 *7 La 0.49044339718838 0.00955249326368 0.20903006145799 138.905 > 7 8 La 0.50955660281161 0.50955249326368 0.79096993854201 138.905 > 8 *9 As 0.25915955486990 0.00701859445538 0.58469907230942 74.922 > 9 10 As 0.74084044513010 0.50701859445538 0.41530092769058 74.922 > 10 *11 As 0.30427094280030 0.47732200836626 0.07304126194475 74.922 > 11 12 As 0.69572905719970 0.97732200836626 0.92695873805525 74.922 > 12 *13 O 0.95771999779151 0.51917993223770 0.39844572602699 15.999 > 13 14 O 0.04228000220849 0.01917993223770 0.60155427397301 15.999 > 14 *15 O 0.48188731589336 0.91365010907971 0.95217200029225 15.999 > 15 16 O 0.51811268410664 0.41365010907971 0.04782799970775 15.999 > 16 *17 O 0.78789828866144 0.00206994715542 0.08378041692309 15.999 > 17 18 O 0.21210171133856 0.50206994715542 0.91621958307691 15.999 > 18 *19 O 0.73233457871918 0.21458604271821 0.83473328375964 15.999 > 19 20 O 0.26766542128082 0.71458604271821 0.16526671624036 15.999 > 20 *21 O 0.77597493366932 0.74730760382108 0.84441107842985 15.999 > 21 22 O 0.22402506633068 0.24730760382108 0.15558892157015 15.999 > 22 *23 O 0.66133198625045 0.26406186453252 0.34273696600791 15.999 > 23 24 O 0.33866801374955 0.76406186453252 0.65726303399209 15.999 > 24 *25 O 0.64670111437517 0.73385193697621 0.33468551903291 15.999 > 25 26 O 0.35329888562483 0.23385193697621 0.66531448096709 15.999 > 26 *27 O 0.68083507539554 0.51106218471396 0.57943935162670 15.999 > 27 28 O 0.31916492460446 0.01106218471396 0.42056064837330 15.999 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.325679742853451 0.000000000000000 0.000000000000000 b 0.000000000000000 11.767912000000003 0.000000000000000 c -0.238906212321082 0.000000000000000 9.920819031668374 Atomic positions (fractional): *1 K 0.00442652914649 0.24739626782325 0.69200898801255 39.098 > 1 2 K 0.50442652914649 0.24739626782325 0.69200898801255 39.098 > 1 3 K 0.00442652914649 0.74739626782325 0.69200898801255 39.098 > 1 4 K 0.50442652914649 0.74739626782325 0.69200898801255 39.098 > 1 5 K 0.49557347085351 0.49739626782325 0.30799101198745 39.098 > 2 6 K 0.99557347085351 0.49739626782325 0.30799101198745 39.098 > 2 7 K 0.49557347085351 0.99739626782325 0.30799101198745 39.098 > 2 8 K 0.99557347085351 0.99739626782325 0.30799101198745 39.098 > 2 *9 K 0.42895304946902 0.24073187805944 0.09192830446357 39.098 > 3 10 K 0.92895304946902 0.24073187805944 0.09192830446357 39.098 > 3 11 K 0.42895304946902 0.74073187805944 0.09192830446357 39.098 > 3 12 K 0.92895304946902 0.74073187805944 0.09192830446357 39.098 > 3 13 K 0.07104695053098 0.49073187805944 0.90807169553643 39.098 > 4 14 K 0.57104695053098 0.49073187805944 0.90807169553643 39.098 > 4 15 K 0.07104695053098 0.99073187805944 0.90807169553643 39.098 > 4 16 K 0.57104695053098 0.99073187805944 0.90807169553643 39.098 > 4 *17 K 0.15244634861441 0.25273546545724 0.41662421694292 39.098 > 5 18 K 0.65244634861441 0.25273546545724 0.41662421694292 39.098 > 5 19 K 0.15244634861441 0.75273546545724 0.41662421694292 39.098 > 5 20 K 0.65244634861441 0.75273546545724 0.41662421694292 39.098 > 5 21 K 0.34755365138559 0.00273546545724 0.58337578305708 39.098 > 6 22 K 0.84755365138559 0.00273546545724 0.58337578305708 39.098 > 6 23 K 0.34755365138559 0.50273546545724 0.58337578305708 39.098 > 6 24 K 0.84755365138559 0.50273546545724 0.58337578305708 39.098 > 6 *25 La 0.24522169859419 0.00477624663184 0.20903006145799 138.905 > 7 26 La 0.74522169859419 0.00477624663184 0.20903006145799 138.905 > 7 27 La 0.24522169859419 0.50477624663184 0.20903006145799 138.905 > 7 28 La 0.74522169859419 0.50477624663184 0.20903006145799 138.905 > 7 29 La 0.25477830140581 0.25477624663184 0.79096993854201 138.905 > 8 30 La 0.75477830140581 0.25477624663184 0.79096993854201 138.905 > 8 31 La 0.25477830140581 0.75477624663184 0.79096993854201 138.905 > 8 32 La 0.75477830140581 0.75477624663184 0.79096993854201 138.905 > 8 *33 As 0.12957977743495 0.00350929722769 0.58469907230942 74.922 > 9 34 As 0.62957977743495 0.00350929722769 0.58469907230942 74.922 > 9 35 As 0.12957977743495 0.50350929722769 0.58469907230942 74.922 > 9 36 As 0.62957977743495 0.50350929722769 0.58469907230942 74.922 > 9 37 As 0.37042022256505 0.25350929722769 0.41530092769058 74.922 > 10 38 As 0.87042022256505 0.25350929722769 0.41530092769058 74.922 > 10 39 As 0.37042022256505 0.75350929722769 0.41530092769058 74.922 > 10 40 As 0.87042022256505 0.75350929722769 0.41530092769058 74.922 > 10 *41 As 0.15213547140015 0.23866100418313 0.07304126194475 74.922 > 11 42 As 0.65213547140015 0.23866100418313 0.07304126194475 74.922 > 11 43 As 0.15213547140015 0.73866100418313 0.07304126194475 74.922 > 11 44 As 0.65213547140015 0.73866100418313 0.07304126194475 74.922 > 11 45 As 0.34786452859985 0.48866100418313 0.92695873805525 74.922 > 12 46 As 0.84786452859985 0.48866100418313 0.92695873805525 74.922 > 12 47 As 0.34786452859985 0.98866100418313 0.92695873805525 74.922 > 12 48 As 0.84786452859985 0.98866100418313 0.92695873805525 74.922 > 12 *49 O 0.47885999889576 0.25958996611885 0.39844572602699 15.999 > 13 50 O 0.97885999889576 0.25958996611885 0.39844572602699 15.999 > 13 51 O 0.47885999889576 0.75958996611885 0.39844572602699 15.999 > 13 52 O 0.97885999889576 0.75958996611885 0.39844572602699 15.999 > 13 53 O 0.02114000110424 0.00958996611885 0.60155427397301 15.999 > 14 54 O 0.52114000110424 0.00958996611885 0.60155427397301 15.999 > 14 55 O 0.02114000110424 0.50958996611885 0.60155427397301 15.999 > 14 56 O 0.52114000110424 0.50958996611885 0.60155427397301 15.999 > 14 *57 O 0.24094365794668 0.45682505453985 0.95217200029225 15.999 > 15 58 O 0.74094365794668 0.45682505453985 0.95217200029225 15.999 > 15 59 O 0.24094365794668 0.95682505453985 0.95217200029225 15.999 > 15 60 O 0.74094365794668 0.95682505453985 0.95217200029225 15.999 > 15 61 O 0.25905634205332 0.20682505453985 0.04782799970775 15.999 > 16 62 O 0.75905634205332 0.20682505453985 0.04782799970775 15.999 > 16 63 O 0.25905634205332 0.70682505453985 0.04782799970775 15.999 > 16 64 O 0.75905634205332 0.70682505453985 0.04782799970775 15.999 > 16 *65 O 0.39394914433072 0.00103497357771 0.08378041692309 15.999 > 17 66 O 0.89394914433072 0.00103497357771 0.08378041692309 15.999 > 17 67 O 0.39394914433072 0.50103497357771 0.08378041692309 15.999 > 17 68 O 0.89394914433072 0.50103497357771 0.08378041692309 15.999 > 17 69 O 0.10605085566928 0.25103497357771 0.91621958307691 15.999 > 18 70 O 0.60605085566928 0.25103497357771 0.91621958307691 15.999 > 18 71 O 0.10605085566928 0.75103497357771 0.91621958307691 15.999 > 18 72 O 0.60605085566928 0.75103497357771 0.91621958307691 15.999 > 18 *73 O 0.36616728935959 0.10729302135910 0.83473328375964 15.999 > 19 74 O 0.86616728935959 0.10729302135910 0.83473328375964 15.999 > 19 75 O 0.36616728935959 0.60729302135910 0.83473328375964 15.999 > 19 76 O 0.86616728935959 0.60729302135910 0.83473328375964 15.999 > 19 77 O 0.13383271064041 0.35729302135910 0.16526671624036 15.999 > 20 78 O 0.63383271064041 0.35729302135910 0.16526671624036 15.999 > 20 79 O 0.13383271064041 0.85729302135910 0.16526671624036 15.999 > 20 80 O 0.63383271064041 0.85729302135910 0.16526671624036 15.999 > 20 *81 O 0.38798746683466 0.37365380191054 0.84441107842985 15.999 > 21 82 O 0.88798746683466 0.37365380191054 0.84441107842985 15.999 > 21 83 O 0.38798746683466 0.87365380191054 0.84441107842985 15.999 > 21 84 O 0.88798746683466 0.87365380191054 0.84441107842985 15.999 > 21 85 O 0.11201253316534 0.12365380191054 0.15558892157015 15.999 > 22 86 O 0.61201253316534 0.12365380191054 0.15558892157015 15.999 > 22 87 O 0.11201253316534 0.62365380191054 0.15558892157015 15.999 > 22 88 O 0.61201253316534 0.62365380191054 0.15558892157015 15.999 > 22 *89 O 0.33066599312522 0.13203093226626 0.34273696600791 15.999 > 23 90 O 0.83066599312522 0.13203093226626 0.34273696600791 15.999 > 23 91 O 0.33066599312522 0.63203093226626 0.34273696600791 15.999 > 23 92 O 0.83066599312522 0.63203093226626 0.34273696600791 15.999 > 23 93 O 0.16933400687478 0.38203093226626 0.65726303399209 15.999 > 24 94 O 0.66933400687478 0.38203093226626 0.65726303399209 15.999 > 24 95 O 0.16933400687478 0.88203093226626 0.65726303399209 15.999 > 24 96 O 0.66933400687478 0.88203093226626 0.65726303399209 15.999 > 24 *97 O 0.32335055718759 0.36692596848811 0.33468551903291 15.999 > 25 98 O 0.82335055718759 0.36692596848811 0.33468551903291 15.999 > 25 99 O 0.32335055718759 0.86692596848811 0.33468551903291 15.999 > 25 100 O 0.82335055718759 0.86692596848811 0.33468551903291 15.999 > 25 101 O 0.17664944281241 0.11692596848811 0.66531448096709 15.999 > 26 102 O 0.67664944281241 0.11692596848811 0.66531448096709 15.999 > 26 103 O 0.17664944281241 0.61692596848811 0.66531448096709 15.999 > 26 104 O 0.67664944281241 0.61692596848811 0.66531448096709 15.999 > 26 *105 O 0.34041753769777 0.25553109235698 0.57943935162670 15.999 > 27 106 O 0.84041753769777 0.25553109235698 0.57943935162670 15.999 > 27 107 O 0.34041753769777 0.75553109235698 0.57943935162670 15.999 > 27 108 O 0.84041753769777 0.75553109235698 0.57943935162670 15.999 > 27 109 O 0.15958246230223 0.00553109235698 0.42056064837330 15.999 > 28 110 O 0.65958246230223 0.00553109235698 0.42056064837330 15.999 > 28 111 O 0.15958246230223 0.50553109235698 0.42056064837330 15.999 > 28 112 O 0.65958246230223 0.50553109235698 0.42056064837330 15.999 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9215435 0.0000000 0.0096633 0.0000000 3.1355595 0.0000000 0.0095807 0.0000000 3.1354959 -------------------------- Born effective charges -------------------------- 1 K 1.3933220 -0.0385990 0.0869911 -0.0182277 1.1569821 0.0227997 0.0687567 0.0241662 1.2024609 2 K 1.3933220 0.0385990 0.0869911 0.0182277 1.1569821 -0.0227997 0.0687567 -0.0241662 1.2024609 3 K 1.3663134 0.0206140 0.0470852 0.0018118 1.1440521 -0.0065328 0.0298761 -0.0005371 1.1114883 4 K 1.3663134 -0.0206140 0.0470852 -0.0018118 1.1440521 0.0065328 0.0298761 0.0005371 1.1114883 5 K 1.2013380 0.0043527 0.0028295 0.0127718 1.1552846 0.0066406 0.0261274 -0.0088943 1.1806623 6 K 1.2013380 -0.0043527 0.0028295 -0.0127718 1.1552846 -0.0066406 0.0261274 0.0088943 1.1806623 7 La 3.5951300 -0.0662778 0.0950934 0.0976063 4.7096907 -0.0246027 0.2210044 -0.0345474 4.8921426 8 La 3.5951300 0.0662778 0.0950934 -0.0976063 4.7096907 0.0246027 0.2210044 0.0345474 4.8921426 9 As 3.2129835 -0.0297403 0.0025988 0.0306790 3.5690965 0.0457770 0.1059090 -0.0180258 3.5352974 10 As 3.2129835 0.0297403 0.0025988 -0.0306790 3.5690965 -0.0457770 0.1059090 0.0180258 3.5352974 11 As 2.3911439 0.0335535 -0.0468361 -0.0936110 3.4663107 -0.0082075 -0.2800140 -0.0177066 3.1766904 12 As 2.3911439 -0.0335535 -0.0468361 0.0936110 3.4663107 0.0082075 -0.2800140 0.0177066 3.1766904 13 O -2.2824757 -0.0488726 0.0172526 -0.0281229 -1.2962105 0.0163801 -0.0260200 0.0095783 -1.3415868 14 O -2.2824757 0.0488726 0.0172526 0.0281229 -1.2962105 -0.0163801 -0.0260200 -0.0095783 -1.3415868 15 O -1.6850094 -0.1647646 0.1645529 -0.1970325 -1.5628725 -0.2528640 0.2135156 -0.2515294 -1.8202153 16 O -1.6850094 0.1647646 0.1645529 0.1970325 -1.5628725 0.2528640 0.2135156 0.2515294 -1.8202153 17 O -1.5900872 -0.0066822 -0.2124562 -0.0419545 -1.2782995 -0.1193061 0.0283066 -0.0799923 -2.1780465 18 O -1.5900872 0.0066822 -0.2124562 0.0419545 -1.2782995 0.1193061 0.0283066 0.0799923 -2.1780465 19 O -1.3557978 0.2020763 0.0403190 0.3147571 -2.4589140 0.5714698 -0.0872090 0.6254840 -1.5976418 20 O -1.3557978 -0.2020763 0.0403190 -0.3147571 -2.4589140 -0.5714698 -0.0872090 -0.6254840 -1.5976418 21 O -1.5872657 0.0150306 0.0790332 -0.1401295 -2.1535264 -0.4895397 0.0034880 -0.5385661 -1.5209227 22 O -1.5872657 -0.0150306 0.0790332 0.1401295 -2.1535264 0.4895397 0.0034880 0.5385661 -1.5209227 23 O -1.5518018 -0.5195061 -0.4104918 -0.7679887 -2.5598119 -0.8421851 -0.4756933 -0.7311842 -1.8343301 24 O -1.5518018 0.5195061 -0.4104918 0.7679887 -2.5598119 0.8421851 -0.4756933 0.7311842 -1.8343301 25 O -1.5725789 0.5831352 -0.4434035 0.7865642 -2.5593865 0.8967780 -0.5130207 0.7958365 -1.8615326 26 O -1.5725789 -0.5831352 -0.4434035 -0.7865642 -2.5593865 -0.8967780 -0.5130207 -0.7958365 -1.8615326 27 O -1.5352143 0.0054588 0.5774318 0.0119195 -1.3323956 0.0085829 0.6849732 -0.0180099 -2.9444663 28 O -1.5352143 -0.0054588 0.5774318 -0.0119195 -1.3323956 -0.0085829 0.6849732 0.0180099 -2.9444663 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 7140 Number of blocks in projector: 7140 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: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 223 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 473 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 233 eigenvectors found. (2) Block: 500 / 568 (2) 237 eigenvectors found. (2) Block: 568 / 568 (2) 63 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 551 eigenvectors found. (1) Complementary block size: 67 (1) Compute compressed projector. (1) Use standard solver. (1) 40 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 232 eigenvectors found. (2) Block: 500 / 568 (2) 236 eigenvectors found. (2) Block: 568 / 568 (2) 62 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 550 eigenvectors found. (1) Complementary block size: 70 (1) Compute compressed projector. (1) Use standard solver. (1) 42 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 232 eigenvectors found. (2) Block: 500 / 568 (2) 236 eigenvectors found. (2) Block: 568 / 568 (2) 62 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 550 eigenvectors found. (1) Complementary block size: 70 (1) Compute compressed projector. (1) Use standard solver. (1) 42 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 812 Use submatrix version of eigh solver. (1) Block: 500 / 812 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 812 / 812 (1) 302 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 812 Use submatrix version of eigh solver. (1) Block: 500 / 812 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 812 / 812 (1) 302 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 812 Use submatrix version of eigh solver. (1) Block: 500 / 812 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 812 / 812 (1) 298 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. Tree of FC basis block matrices: - (7140, 7015), data: False |-- (812, 798), data: False |-- (812, 14), data: (812, 28) @ (28, 14) |-- (312, 298), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (812, 798), data: False |-- (812, 10), data: (812, 24) @ (24, 10) |-- (312, 302), data: True |-- (500, 486), data: False |-- (500, 13), data: (500, 27) @ (27, 13) |-- (250, 237), data: True |-- (250, 236), data: True |-- (812, 798), data: False |-- (812, 10), data: (812, 24) @ (24, 10) |-- (312, 302), data: True |-- (500, 486), data: False |-- (500, 13), data: (500, 27) @ (27, 13) |-- (250, 237), data: True |-- (250, 236), data: True |-- (1568, 1540), data: False |-- (1568, 42), data: (1568, 70) @ (70, 42) |-- (568, 550), data: False |-- (568, 20), data: (568, 38) @ (38, 20) |-- (68, 62), data: True |-- (250, 236), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 472), data: False |-- (500, 26), data: (500, 54) @ (54, 26) |-- (250, 224), data: True |-- (250, 222), data: True |-- (1568, 1540), data: False |-- (1568, 42), data: (1568, 70) @ (70, 42) |-- (568, 550), data: False |-- (568, 20), data: (568, 38) @ (38, 20) |-- (68, 62), data: True |-- (250, 236), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 472), data: False |-- (500, 26), data: (500, 54) @ (54, 26) |-- (250, 224), data: True |-- (250, 222), data: True |-- (1568, 1541), data: False |-- (1568, 40), data: (1568, 67) @ (67, 40) |-- (568, 551), data: False |-- (568, 18), data: (568, 35) @ (35, 18) |-- (68, 63), data: True |-- (250, 237), data: True |-- (250, 233), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (500, 473), data: False |-- (500, 25), data: (500, 52) @ (52, 25) |-- (250, 225), data: True |-- (250, 223), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 1680 - Time: 1.798 Solver_block: 200 / 1680 - Time: 1.545 Solver_block: 300 / 1680 - Time: 1.546 Solver_block: 400 / 1680 - Time: 1.547 Solver_block: 500 / 1680 - Time: 1.548 Solver_block: 600 / 1680 - Time: 1.551 Solver_block: 700 / 1680 - Time: 1.545 Solver_block: 800 / 1680 - Time: 1.551 Solver_block: 900 / 1680 - Time: 1.555 Solver_block: 1000 / 1680 - Time: 1.549 Solver_block: 1100 / 1680 - Time: 1.551 Solver_block: 1200 / 1680 - Time: 1.552 Solver_block: 1300 / 1680 - Time: 1.552 Solver_block: 1400 / 1680 - Time: 1.548 Solver_block: 1500 / 1680 - Time: 1.550 Solver_block: 1600 / 1680 - Time: 1.549 Solver_block: 1680 / 1680 - Time: 1.278 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 27.105 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 7140 Number of blocks in projector: 7140 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: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 223 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 473 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 233 eigenvectors found. (2) Block: 500 / 568 (2) 237 eigenvectors found. (2) Block: 568 / 568 (2) 63 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 551 eigenvectors found. (1) Complementary block size: 67 (1) Compute compressed projector. (1) Use standard solver. (1) 40 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 232 eigenvectors found. (2) Block: 500 / 568 (2) 236 eigenvectors found. (2) Block: 568 / 568 (2) 62 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 550 eigenvectors found. (1) Complementary block size: 70 (1) Compute compressed projector. (1) Use standard solver. (1) 42 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 232 eigenvectors found. (2) Block: 500 / 568 (2) 236 eigenvectors found. (2) Block: 568 / 568 (2) 62 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 550 eigenvectors found. (1) Complementary block size: 70 (1) Compute compressed projector. (1) Use standard solver. (1) 42 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 812 Use submatrix version of eigh solver. (1) Block: 500 / 812 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 812 / 812 (1) 302 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 812 Use submatrix version of eigh solver. (1) Block: 500 / 812 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 812 / 812 (1) 302 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 812 Use submatrix version of eigh solver. (1) Block: 500 / 812 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 812 / 812 (1) 298 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. Tree of FC basis block matrices: - (7140, 7015), data: False |-- (812, 798), data: False |-- (812, 14), data: (812, 28) @ (28, 14) |-- (312, 298), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (812, 798), data: False |-- (812, 10), data: (812, 24) @ (24, 10) |-- (312, 302), data: True |-- (500, 486), data: False |-- (500, 13), data: (500, 27) @ (27, 13) |-- (250, 237), data: True |-- (250, 236), data: True |-- (812, 798), data: False |-- (812, 10), data: (812, 24) @ (24, 10) |-- (312, 302), data: True |-- (500, 486), data: False |-- (500, 13), data: (500, 27) @ (27, 13) |-- (250, 237), data: True |-- (250, 236), data: True |-- (1568, 1540), data: False |-- (1568, 42), data: (1568, 70) @ (70, 42) |-- (568, 550), data: False |-- (568, 20), data: (568, 38) @ (38, 20) |-- (68, 62), data: True |-- (250, 236), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 472), data: False |-- (500, 26), data: (500, 54) @ (54, 26) |-- (250, 224), data: True |-- (250, 222), data: True |-- (1568, 1540), data: False |-- (1568, 42), data: (1568, 70) @ (70, 42) |-- (568, 550), data: False |-- (568, 20), data: (568, 38) @ (38, 20) |-- (68, 62), data: True |-- (250, 236), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 472), data: False |-- (500, 26), data: (500, 54) @ (54, 26) |-- (250, 224), data: True |-- (250, 222), data: True |-- (1568, 1541), data: False |-- (1568, 40), data: (1568, 67) @ (67, 40) |-- (568, 551), data: False |-- (568, 18), data: (568, 35) @ (35, 18) |-- (68, 63), data: True |-- (250, 237), data: True |-- (250, 233), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (500, 473), data: False |-- (500, 25), data: (500, 52) @ (52, 25) |-- (250, 225), data: True |-- (250, 223), 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 2026-01-09 04:39:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 04:39:14]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1 (4) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.662839871426725 0.000000000000000 0.000000000000000 b 0.000000000000000 5.883956000000001 0.000000000000000 c -0.238906212321082 0.000000000000000 9.920819031668374 Atomic positions (fractional): 1 K 0.00885305829298 0.49479253564650 0.69200898801255 39.098 2 K 0.99114694170702 0.99479253564651 0.30799101198745 39.098 3 K 0.85790609893804 0.48146375611888 0.09192830446357 39.098 4 K 0.14209390106196 0.98146375611888 0.90807169553643 39.098 5 K 0.30489269722882 0.50547093091449 0.41662421694292 39.098 6 K 0.69510730277118 0.00547093091449 0.58337578305708 39.098 7 La 0.49044339718838 0.00955249326368 0.20903006145799 138.905 8 La 0.50955660281161 0.50955249326368 0.79096993854201 138.905 9 As 0.25915955486990 0.00701859445538 0.58469907230942 74.922 10 As 0.74084044513010 0.50701859445538 0.41530092769058 74.922 11 As 0.30427094280030 0.47732200836626 0.07304126194475 74.922 12 As 0.69572905719970 0.97732200836626 0.92695873805525 74.922 13 O 0.95771999779151 0.51917993223770 0.39844572602699 15.999 14 O 0.04228000220849 0.01917993223770 0.60155427397301 15.999 15 O 0.48188731589336 0.91365010907971 0.95217200029225 15.999 16 O 0.51811268410664 0.41365010907971 0.04782799970775 15.999 17 O 0.78789828866144 0.00206994715542 0.08378041692309 15.999 18 O 0.21210171133856 0.50206994715542 0.91621958307691 15.999 19 O 0.73233457871918 0.21458604271821 0.83473328375964 15.999 20 O 0.26766542128082 0.71458604271821 0.16526671624036 15.999 21 O 0.77597493366932 0.74730760382108 0.84441107842985 15.999 22 O 0.22402506633068 0.24730760382108 0.15558892157015 15.999 23 O 0.66133198625045 0.26406186453252 0.34273696600791 15.999 24 O 0.33866801374955 0.76406186453252 0.65726303399209 15.999 25 O 0.64670111437517 0.73385193697621 0.33468551903291 15.999 26 O 0.35329888562483 0.23385193697621 0.66531448096709 15.999 27 O 0.68083507539554 0.51106218471396 0.57943935162670 15.999 28 O 0.31916492460446 0.01106218471396 0.42056064837330 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.325679742853451 0.000000000000000 0.000000000000000 b 0.000000000000000 11.767912000000003 0.000000000000000 c -0.238906212321082 0.000000000000000 9.920819031668374 Atomic positions (fractional): 1 K 0.00442652914649 0.24739626782325 0.69200898801255 39.098 > 1 2 K 0.50442652914649 0.24739626782325 0.69200898801255 39.098 > 1 3 K 0.00442652914649 0.74739626782325 0.69200898801255 39.098 > 1 4 K 0.50442652914649 0.74739626782325 0.69200898801255 39.098 > 1 5 K 0.49557347085351 0.49739626782325 0.30799101198745 39.098 > 5 6 K 0.99557347085351 0.49739626782325 0.30799101198745 39.098 > 5 7 K 0.49557347085351 0.99739626782325 0.30799101198745 39.098 > 5 8 K 0.99557347085351 0.99739626782325 0.30799101198745 39.098 > 5 9 K 0.42895304946902 0.24073187805944 0.09192830446357 39.098 > 9 10 K 0.92895304946902 0.24073187805944 0.09192830446357 39.098 > 9 11 K 0.42895304946902 0.74073187805944 0.09192830446357 39.098 > 9 12 K 0.92895304946902 0.74073187805944 0.09192830446357 39.098 > 9 13 K 0.07104695053098 0.49073187805944 0.90807169553643 39.098 > 13 14 K 0.57104695053098 0.49073187805944 0.90807169553643 39.098 > 13 15 K 0.07104695053098 0.99073187805944 0.90807169553643 39.098 > 13 16 K 0.57104695053098 0.99073187805944 0.90807169553643 39.098 > 13 17 K 0.15244634861441 0.25273546545724 0.41662421694292 39.098 > 17 18 K 0.65244634861441 0.25273546545724 0.41662421694292 39.098 > 17 19 K 0.15244634861441 0.75273546545724 0.41662421694292 39.098 > 17 20 K 0.65244634861441 0.75273546545724 0.41662421694292 39.098 > 17 21 K 0.34755365138559 0.00273546545724 0.58337578305708 39.098 > 21 22 K 0.84755365138559 0.00273546545724 0.58337578305708 39.098 > 21 23 K 0.34755365138559 0.50273546545724 0.58337578305708 39.098 > 21 24 K 0.84755365138559 0.50273546545724 0.58337578305708 39.098 > 21 25 La 0.24522169859419 0.00477624663184 0.20903006145799 138.905 > 25 26 La 0.74522169859419 0.00477624663184 0.20903006145799 138.905 > 25 27 La 0.24522169859419 0.50477624663184 0.20903006145799 138.905 > 25 28 La 0.74522169859419 0.50477624663184 0.20903006145799 138.905 > 25 29 La 0.25477830140581 0.25477624663184 0.79096993854201 138.905 > 29 30 La 0.75477830140581 0.25477624663184 0.79096993854201 138.905 > 29 31 La 0.25477830140581 0.75477624663184 0.79096993854201 138.905 > 29 32 La 0.75477830140581 0.75477624663184 0.79096993854201 138.905 > 29 33 As 0.12957977743495 0.00350929722769 0.58469907230942 74.922 > 33 34 As 0.62957977743495 0.00350929722769 0.58469907230942 74.922 > 33 35 As 0.12957977743495 0.50350929722769 0.58469907230942 74.922 > 33 36 As 0.62957977743495 0.50350929722769 0.58469907230942 74.922 > 33 37 As 0.37042022256505 0.25350929722769 0.41530092769058 74.922 > 37 38 As 0.87042022256505 0.25350929722769 0.41530092769058 74.922 > 37 39 As 0.37042022256505 0.75350929722769 0.41530092769058 74.922 > 37 40 As 0.87042022256505 0.75350929722769 0.41530092769058 74.922 > 37 41 As 0.15213547140015 0.23866100418313 0.07304126194475 74.922 > 41 42 As 0.65213547140015 0.23866100418313 0.07304126194475 74.922 > 41 43 As 0.15213547140015 0.73866100418313 0.07304126194475 74.922 > 41 44 As 0.65213547140015 0.73866100418313 0.07304126194475 74.922 > 41 45 As 0.34786452859985 0.48866100418313 0.92695873805525 74.922 > 45 46 As 0.84786452859985 0.48866100418313 0.92695873805525 74.922 > 45 47 As 0.34786452859985 0.98866100418313 0.92695873805525 74.922 > 45 48 As 0.84786452859985 0.98866100418313 0.92695873805525 74.922 > 45 49 O 0.47885999889576 0.25958996611885 0.39844572602699 15.999 > 49 50 O 0.97885999889576 0.25958996611885 0.39844572602699 15.999 > 49 51 O 0.47885999889576 0.75958996611885 0.39844572602699 15.999 > 49 52 O 0.97885999889576 0.75958996611885 0.39844572602699 15.999 > 49 53 O 0.02114000110424 0.00958996611885 0.60155427397301 15.999 > 53 54 O 0.52114000110424 0.00958996611885 0.60155427397301 15.999 > 53 55 O 0.02114000110424 0.50958996611885 0.60155427397301 15.999 > 53 56 O 0.52114000110424 0.50958996611885 0.60155427397301 15.999 > 53 57 O 0.24094365794668 0.45682505453985 0.95217200029225 15.999 > 57 58 O 0.74094365794668 0.45682505453985 0.95217200029225 15.999 > 57 59 O 0.24094365794668 0.95682505453985 0.95217200029225 15.999 > 57 60 O 0.74094365794668 0.95682505453985 0.95217200029225 15.999 > 57 61 O 0.25905634205332 0.20682505453985 0.04782799970775 15.999 > 61 62 O 0.75905634205332 0.20682505453985 0.04782799970775 15.999 > 61 63 O 0.25905634205332 0.70682505453985 0.04782799970775 15.999 > 61 64 O 0.75905634205332 0.70682505453985 0.04782799970775 15.999 > 61 65 O 0.39394914433072 0.00103497357771 0.08378041692309 15.999 > 65 66 O 0.89394914433072 0.00103497357771 0.08378041692309 15.999 > 65 67 O 0.39394914433072 0.50103497357771 0.08378041692309 15.999 > 65 68 O 0.89394914433072 0.50103497357771 0.08378041692309 15.999 > 65 69 O 0.10605085566928 0.25103497357771 0.91621958307691 15.999 > 69 70 O 0.60605085566928 0.25103497357771 0.91621958307691 15.999 > 69 71 O 0.10605085566928 0.75103497357771 0.91621958307691 15.999 > 69 72 O 0.60605085566928 0.75103497357771 0.91621958307691 15.999 > 69 73 O 0.36616728935959 0.10729302135910 0.83473328375964 15.999 > 73 74 O 0.86616728935959 0.10729302135910 0.83473328375964 15.999 > 73 75 O 0.36616728935959 0.60729302135910 0.83473328375964 15.999 > 73 76 O 0.86616728935959 0.60729302135910 0.83473328375964 15.999 > 73 77 O 0.13383271064041 0.35729302135910 0.16526671624036 15.999 > 77 78 O 0.63383271064041 0.35729302135910 0.16526671624036 15.999 > 77 79 O 0.13383271064041 0.85729302135910 0.16526671624036 15.999 > 77 80 O 0.63383271064041 0.85729302135910 0.16526671624036 15.999 > 77 81 O 0.38798746683466 0.37365380191054 0.84441107842985 15.999 > 81 82 O 0.88798746683466 0.37365380191054 0.84441107842985 15.999 > 81 83 O 0.38798746683466 0.87365380191054 0.84441107842985 15.999 > 81 84 O 0.88798746683466 0.87365380191054 0.84441107842985 15.999 > 81 85 O 0.11201253316534 0.12365380191054 0.15558892157015 15.999 > 85 86 O 0.61201253316534 0.12365380191054 0.15558892157015 15.999 > 85 87 O 0.11201253316534 0.62365380191054 0.15558892157015 15.999 > 85 88 O 0.61201253316534 0.62365380191054 0.15558892157015 15.999 > 85 89 O 0.33066599312522 0.13203093226626 0.34273696600791 15.999 > 89 90 O 0.83066599312522 0.13203093226626 0.34273696600791 15.999 > 89 91 O 0.33066599312522 0.63203093226626 0.34273696600791 15.999 > 89 92 O 0.83066599312522 0.63203093226626 0.34273696600791 15.999 > 89 93 O 0.16933400687478 0.38203093226626 0.65726303399209 15.999 > 93 94 O 0.66933400687478 0.38203093226626 0.65726303399209 15.999 > 93 95 O 0.16933400687478 0.88203093226626 0.65726303399209 15.999 > 93 96 O 0.66933400687478 0.88203093226626 0.65726303399209 15.999 > 93 97 O 0.32335055718759 0.36692596848811 0.33468551903291 15.999 > 97 98 O 0.82335055718759 0.36692596848811 0.33468551903291 15.999 > 97 99 O 0.32335055718759 0.86692596848811 0.33468551903291 15.999 > 97 100 O 0.82335055718759 0.86692596848811 0.33468551903291 15.999 > 97 101 O 0.17664944281241 0.11692596848811 0.66531448096709 15.999 > 101 102 O 0.67664944281241 0.11692596848811 0.66531448096709 15.999 > 101 103 O 0.17664944281241 0.61692596848811 0.66531448096709 15.999 > 101 104 O 0.67664944281241 0.61692596848811 0.66531448096709 15.999 > 101 105 O 0.34041753769777 0.25553109235698 0.57943935162670 15.999 > 105 106 O 0.84041753769777 0.25553109235698 0.57943935162670 15.999 > 105 107 O 0.34041753769777 0.75553109235698 0.57943935162670 15.999 > 105 108 O 0.84041753769777 0.75553109235698 0.57943935162670 15.999 > 105 109 O 0.15958246230223 0.00553109235698 0.42056064837330 15.999 > 109 110 O 0.65958246230223 0.00553109235698 0.42056064837330 15.999 > 109 111 O 0.15958246230223 0.50553109235698 0.42056064837330 15.999 > 109 112 O 0.65958246230223 0.50553109235698 0.42056064837330 15.999 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9215435 0.0000000 0.0096633 0.0000000 3.1355595 0.0000000 0.0095807 0.0000000 3.1354959 -------------------------- Born effective charges -------------------------- 1 K 1.3933220 -0.0385990 0.0869911 -0.0182277 1.1569821 0.0227997 0.0687567 0.0241662 1.2024609 2 K 1.3933220 0.0385990 0.0869911 0.0182277 1.1569821 -0.0227997 0.0687567 -0.0241662 1.2024609 3 K 1.3663134 0.0206140 0.0470852 0.0018118 1.1440521 -0.0065328 0.0298761 -0.0005371 1.1114883 4 K 1.3663134 -0.0206140 0.0470852 -0.0018118 1.1440521 0.0065328 0.0298761 0.0005371 1.1114883 5 K 1.2013380 0.0043527 0.0028295 0.0127718 1.1552846 0.0066406 0.0261274 -0.0088943 1.1806623 6 K 1.2013380 -0.0043527 0.0028295 -0.0127718 1.1552846 -0.0066406 0.0261274 0.0088943 1.1806623 7 La 3.5951300 -0.0662778 0.0950934 0.0976063 4.7096907 -0.0246027 0.2210044 -0.0345474 4.8921426 8 La 3.5951300 0.0662778 0.0950934 -0.0976063 4.7096907 0.0246027 0.2210044 0.0345474 4.8921426 9 As 3.2129835 -0.0297403 0.0025988 0.0306790 3.5690965 0.0457770 0.1059090 -0.0180258 3.5352974 10 As 3.2129835 0.0297403 0.0025988 -0.0306790 3.5690965 -0.0457770 0.1059090 0.0180258 3.5352974 11 As 2.3911439 0.0335535 -0.0468361 -0.0936110 3.4663107 -0.0082075 -0.2800140 -0.0177066 3.1766904 12 As 2.3911439 -0.0335535 -0.0468361 0.0936110 3.4663107 0.0082075 -0.2800140 0.0177066 3.1766904 13 O -2.2824757 -0.0488726 0.0172526 -0.0281229 -1.2962105 0.0163801 -0.0260200 0.0095783 -1.3415868 14 O -2.2824757 0.0488726 0.0172526 0.0281229 -1.2962105 -0.0163801 -0.0260200 -0.0095783 -1.3415868 15 O -1.6850094 -0.1647646 0.1645529 -0.1970325 -1.5628725 -0.2528640 0.2135156 -0.2515294 -1.8202153 16 O -1.6850094 0.1647646 0.1645529 0.1970325 -1.5628725 0.2528640 0.2135156 0.2515294 -1.8202153 17 O -1.5900872 -0.0066822 -0.2124562 -0.0419545 -1.2782995 -0.1193061 0.0283066 -0.0799923 -2.1780465 18 O -1.5900872 0.0066822 -0.2124562 0.0419545 -1.2782995 0.1193061 0.0283066 0.0799923 -2.1780465 19 O -1.3557978 0.2020763 0.0403190 0.3147571 -2.4589140 0.5714698 -0.0872090 0.6254840 -1.5976418 20 O -1.3557978 -0.2020763 0.0403190 -0.3147571 -2.4589140 -0.5714698 -0.0872090 -0.6254840 -1.5976418 21 O -1.5872657 0.0150306 0.0790332 -0.1401295 -2.1535264 -0.4895397 0.0034880 -0.5385661 -1.5209227 22 O -1.5872657 -0.0150306 0.0790332 0.1401295 -2.1535264 0.4895397 0.0034880 0.5385661 -1.5209227 23 O -1.5518018 -0.5195061 -0.4104918 -0.7679887 -2.5598119 -0.8421851 -0.4756933 -0.7311842 -1.8343301 24 O -1.5518018 0.5195061 -0.4104918 0.7679887 -2.5598119 0.8421851 -0.4756933 0.7311842 -1.8343301 25 O -1.5725789 0.5831352 -0.4434035 0.7865642 -2.5593865 0.8967780 -0.5130207 0.7958365 -1.8615326 26 O -1.5725789 -0.5831352 -0.4434035 -0.7865642 -2.5593865 -0.8967780 -0.5130207 -0.7958365 -1.8615326 27 O -1.5352143 0.0054588 0.5774318 0.0119195 -1.3323956 0.0085829 0.6849732 -0.0180099 -2.9444663 28 O -1.5352143 -0.0054588 0.5774318 -0.0119195 -1.3323956 -0.0085829 0.6849732 0.0180099 -2.9444663 ---------------------------------------------------------------------------- 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] [-0.0002 0.0000 0.0100] [ 0.0002 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] [-0.0002 0.0000 0.0100] [ 0.0002 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] [-0.0002 0.0000 0.0100] [ 0.0002 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] [-0.0002 0.0000 0.0100] [ 0.0002 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] [-0.0002 0.0000 0.0100] [ 0.0002 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] [-0.0002 0.0000 0.0100] [ 0.0002 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] [-0.0002 0.0000 0.0100] [ 0.0002 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] [-0.0002 0.0000 0.0100] [ 0.0002 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] [-0.0002 0.0000 0.0100] [ 0.0002 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 89, 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 105, 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000002 (xxx) -0.00000002 (xxx) -0.00000002 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (xy) -0.00000001 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 04:40:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 04:40:13]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1 (4) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.662839871426725 0.000000000000000 0.000000000000000 b 0.000000000000000 5.883956000000001 0.000000000000000 c -0.238906212321082 0.000000000000000 9.920819031668374 Atomic positions (fractional): 1 K 0.00885305829298 0.49479253564650 0.69200898801255 39.098 2 K 0.99114694170702 0.99479253564651 0.30799101198745 39.098 3 K 0.85790609893804 0.48146375611888 0.09192830446357 39.098 4 K 0.14209390106196 0.98146375611888 0.90807169553643 39.098 5 K 0.30489269722882 0.50547093091449 0.41662421694292 39.098 6 K 0.69510730277118 0.00547093091449 0.58337578305708 39.098 7 La 0.49044339718838 0.00955249326368 0.20903006145799 138.905 8 La 0.50955660281161 0.50955249326368 0.79096993854201 138.905 9 As 0.25915955486990 0.00701859445538 0.58469907230942 74.922 10 As 0.74084044513010 0.50701859445538 0.41530092769058 74.922 11 As 0.30427094280030 0.47732200836626 0.07304126194475 74.922 12 As 0.69572905719970 0.97732200836626 0.92695873805525 74.922 13 O 0.95771999779151 0.51917993223770 0.39844572602699 15.999 14 O 0.04228000220849 0.01917993223770 0.60155427397301 15.999 15 O 0.48188731589336 0.91365010907971 0.95217200029225 15.999 16 O 0.51811268410664 0.41365010907971 0.04782799970775 15.999 17 O 0.78789828866144 0.00206994715542 0.08378041692309 15.999 18 O 0.21210171133856 0.50206994715542 0.91621958307691 15.999 19 O 0.73233457871918 0.21458604271821 0.83473328375964 15.999 20 O 0.26766542128082 0.71458604271821 0.16526671624036 15.999 21 O 0.77597493366932 0.74730760382108 0.84441107842985 15.999 22 O 0.22402506633068 0.24730760382108 0.15558892157015 15.999 23 O 0.66133198625045 0.26406186453252 0.34273696600791 15.999 24 O 0.33866801374955 0.76406186453252 0.65726303399209 15.999 25 O 0.64670111437517 0.73385193697621 0.33468551903291 15.999 26 O 0.35329888562483 0.23385193697621 0.66531448096709 15.999 27 O 0.68083507539554 0.51106218471396 0.57943935162670 15.999 28 O 0.31916492460446 0.01106218471396 0.42056064837330 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.325679742853451 0.000000000000000 0.000000000000000 b 0.000000000000000 11.767912000000003 0.000000000000000 c -0.238906212321082 0.000000000000000 9.920819031668374 Atomic positions (fractional): 1 K 0.00442652914649 0.24739626782325 0.69200898801255 39.098 > 1 2 K 0.50442652914649 0.24739626782325 0.69200898801255 39.098 > 1 3 K 0.00442652914649 0.74739626782325 0.69200898801255 39.098 > 1 4 K 0.50442652914649 0.74739626782325 0.69200898801255 39.098 > 1 5 K 0.49557347085351 0.49739626782325 0.30799101198745 39.098 > 5 6 K 0.99557347085351 0.49739626782325 0.30799101198745 39.098 > 5 7 K 0.49557347085351 0.99739626782325 0.30799101198745 39.098 > 5 8 K 0.99557347085351 0.99739626782325 0.30799101198745 39.098 > 5 9 K 0.42895304946902 0.24073187805944 0.09192830446357 39.098 > 9 10 K 0.92895304946902 0.24073187805944 0.09192830446357 39.098 > 9 11 K 0.42895304946902 0.74073187805944 0.09192830446357 39.098 > 9 12 K 0.92895304946902 0.74073187805944 0.09192830446357 39.098 > 9 13 K 0.07104695053098 0.49073187805944 0.90807169553643 39.098 > 13 14 K 0.57104695053098 0.49073187805944 0.90807169553643 39.098 > 13 15 K 0.07104695053098 0.99073187805944 0.90807169553643 39.098 > 13 16 K 0.57104695053098 0.99073187805944 0.90807169553643 39.098 > 13 17 K 0.15244634861441 0.25273546545724 0.41662421694292 39.098 > 17 18 K 0.65244634861441 0.25273546545724 0.41662421694292 39.098 > 17 19 K 0.15244634861441 0.75273546545724 0.41662421694292 39.098 > 17 20 K 0.65244634861441 0.75273546545724 0.41662421694292 39.098 > 17 21 K 0.34755365138559 0.00273546545724 0.58337578305708 39.098 > 21 22 K 0.84755365138559 0.00273546545724 0.58337578305708 39.098 > 21 23 K 0.34755365138559 0.50273546545724 0.58337578305708 39.098 > 21 24 K 0.84755365138559 0.50273546545724 0.58337578305708 39.098 > 21 25 La 0.24522169859419 0.00477624663184 0.20903006145799 138.905 > 25 26 La 0.74522169859419 0.00477624663184 0.20903006145799 138.905 > 25 27 La 0.24522169859419 0.50477624663184 0.20903006145799 138.905 > 25 28 La 0.74522169859419 0.50477624663184 0.20903006145799 138.905 > 25 29 La 0.25477830140581 0.25477624663184 0.79096993854201 138.905 > 29 30 La 0.75477830140581 0.25477624663184 0.79096993854201 138.905 > 29 31 La 0.25477830140581 0.75477624663184 0.79096993854201 138.905 > 29 32 La 0.75477830140581 0.75477624663184 0.79096993854201 138.905 > 29 33 As 0.12957977743495 0.00350929722769 0.58469907230942 74.922 > 33 34 As 0.62957977743495 0.00350929722769 0.58469907230942 74.922 > 33 35 As 0.12957977743495 0.50350929722769 0.58469907230942 74.922 > 33 36 As 0.62957977743495 0.50350929722769 0.58469907230942 74.922 > 33 37 As 0.37042022256505 0.25350929722769 0.41530092769058 74.922 > 37 38 As 0.87042022256505 0.25350929722769 0.41530092769058 74.922 > 37 39 As 0.37042022256505 0.75350929722769 0.41530092769058 74.922 > 37 40 As 0.87042022256505 0.75350929722769 0.41530092769058 74.922 > 37 41 As 0.15213547140015 0.23866100418313 0.07304126194475 74.922 > 41 42 As 0.65213547140015 0.23866100418313 0.07304126194475 74.922 > 41 43 As 0.15213547140015 0.73866100418313 0.07304126194475 74.922 > 41 44 As 0.65213547140015 0.73866100418313 0.07304126194475 74.922 > 41 45 As 0.34786452859985 0.48866100418313 0.92695873805525 74.922 > 45 46 As 0.84786452859985 0.48866100418313 0.92695873805525 74.922 > 45 47 As 0.34786452859985 0.98866100418313 0.92695873805525 74.922 > 45 48 As 0.84786452859985 0.98866100418313 0.92695873805525 74.922 > 45 49 O 0.47885999889576 0.25958996611885 0.39844572602699 15.999 > 49 50 O 0.97885999889576 0.25958996611885 0.39844572602699 15.999 > 49 51 O 0.47885999889576 0.75958996611885 0.39844572602699 15.999 > 49 52 O 0.97885999889576 0.75958996611885 0.39844572602699 15.999 > 49 53 O 0.02114000110424 0.00958996611885 0.60155427397301 15.999 > 53 54 O 0.52114000110424 0.00958996611885 0.60155427397301 15.999 > 53 55 O 0.02114000110424 0.50958996611885 0.60155427397301 15.999 > 53 56 O 0.52114000110424 0.50958996611885 0.60155427397301 15.999 > 53 57 O 0.24094365794668 0.45682505453985 0.95217200029225 15.999 > 57 58 O 0.74094365794668 0.45682505453985 0.95217200029225 15.999 > 57 59 O 0.24094365794668 0.95682505453985 0.95217200029225 15.999 > 57 60 O 0.74094365794668 0.95682505453985 0.95217200029225 15.999 > 57 61 O 0.25905634205332 0.20682505453985 0.04782799970775 15.999 > 61 62 O 0.75905634205332 0.20682505453985 0.04782799970775 15.999 > 61 63 O 0.25905634205332 0.70682505453985 0.04782799970775 15.999 > 61 64 O 0.75905634205332 0.70682505453985 0.04782799970775 15.999 > 61 65 O 0.39394914433072 0.00103497357771 0.08378041692309 15.999 > 65 66 O 0.89394914433072 0.00103497357771 0.08378041692309 15.999 > 65 67 O 0.39394914433072 0.50103497357771 0.08378041692309 15.999 > 65 68 O 0.89394914433072 0.50103497357771 0.08378041692309 15.999 > 65 69 O 0.10605085566928 0.25103497357771 0.91621958307691 15.999 > 69 70 O 0.60605085566928 0.25103497357771 0.91621958307691 15.999 > 69 71 O 0.10605085566928 0.75103497357771 0.91621958307691 15.999 > 69 72 O 0.60605085566928 0.75103497357771 0.91621958307691 15.999 > 69 73 O 0.36616728935959 0.10729302135910 0.83473328375964 15.999 > 73 74 O 0.86616728935959 0.10729302135910 0.83473328375964 15.999 > 73 75 O 0.36616728935959 0.60729302135910 0.83473328375964 15.999 > 73 76 O 0.86616728935959 0.60729302135910 0.83473328375964 15.999 > 73 77 O 0.13383271064041 0.35729302135910 0.16526671624036 15.999 > 77 78 O 0.63383271064041 0.35729302135910 0.16526671624036 15.999 > 77 79 O 0.13383271064041 0.85729302135910 0.16526671624036 15.999 > 77 80 O 0.63383271064041 0.85729302135910 0.16526671624036 15.999 > 77 81 O 0.38798746683466 0.37365380191054 0.84441107842985 15.999 > 81 82 O 0.88798746683466 0.37365380191054 0.84441107842985 15.999 > 81 83 O 0.38798746683466 0.87365380191054 0.84441107842985 15.999 > 81 84 O 0.88798746683466 0.87365380191054 0.84441107842985 15.999 > 81 85 O 0.11201253316534 0.12365380191054 0.15558892157015 15.999 > 85 86 O 0.61201253316534 0.12365380191054 0.15558892157015 15.999 > 85 87 O 0.11201253316534 0.62365380191054 0.15558892157015 15.999 > 85 88 O 0.61201253316534 0.62365380191054 0.15558892157015 15.999 > 85 89 O 0.33066599312522 0.13203093226626 0.34273696600791 15.999 > 89 90 O 0.83066599312522 0.13203093226626 0.34273696600791 15.999 > 89 91 O 0.33066599312522 0.63203093226626 0.34273696600791 15.999 > 89 92 O 0.83066599312522 0.63203093226626 0.34273696600791 15.999 > 89 93 O 0.16933400687478 0.38203093226626 0.65726303399209 15.999 > 93 94 O 0.66933400687478 0.38203093226626 0.65726303399209 15.999 > 93 95 O 0.16933400687478 0.88203093226626 0.65726303399209 15.999 > 93 96 O 0.66933400687478 0.88203093226626 0.65726303399209 15.999 > 93 97 O 0.32335055718759 0.36692596848811 0.33468551903291 15.999 > 97 98 O 0.82335055718759 0.36692596848811 0.33468551903291 15.999 > 97 99 O 0.32335055718759 0.86692596848811 0.33468551903291 15.999 > 97 100 O 0.82335055718759 0.86692596848811 0.33468551903291 15.999 > 97 101 O 0.17664944281241 0.11692596848811 0.66531448096709 15.999 > 101 102 O 0.67664944281241 0.11692596848811 0.66531448096709 15.999 > 101 103 O 0.17664944281241 0.61692596848811 0.66531448096709 15.999 > 101 104 O 0.67664944281241 0.61692596848811 0.66531448096709 15.999 > 101 105 O 0.34041753769777 0.25553109235698 0.57943935162670 15.999 > 105 106 O 0.84041753769777 0.25553109235698 0.57943935162670 15.999 > 105 107 O 0.34041753769777 0.75553109235698 0.57943935162670 15.999 > 105 108 O 0.84041753769777 0.75553109235698 0.57943935162670 15.999 > 105 109 O 0.15958246230223 0.00553109235698 0.42056064837330 15.999 > 109 110 O 0.65958246230223 0.00553109235698 0.42056064837330 15.999 > 109 111 O 0.15958246230223 0.50553109235698 0.42056064837330 15.999 > 109 112 O 0.65958246230223 0.50553109235698 0.42056064837330 15.999 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.9215435 0.0000000 0.0096633 0.0000000 3.1355595 0.0000000 0.0095807 0.0000000 3.1354959 -------------------------- Born effective charges -------------------------- 1 K 1.3933220 -0.0385990 0.0869911 -0.0182277 1.1569821 0.0227997 0.0687567 0.0241662 1.2024609 2 K 1.3933220 0.0385990 0.0869911 0.0182277 1.1569821 -0.0227997 0.0687567 -0.0241662 1.2024609 3 K 1.3663134 0.0206140 0.0470852 0.0018118 1.1440521 -0.0065328 0.0298761 -0.0005371 1.1114883 4 K 1.3663134 -0.0206140 0.0470852 -0.0018118 1.1440521 0.0065328 0.0298761 0.0005371 1.1114883 5 K 1.2013380 0.0043527 0.0028295 0.0127718 1.1552846 0.0066406 0.0261274 -0.0088943 1.1806623 6 K 1.2013380 -0.0043527 0.0028295 -0.0127718 1.1552846 -0.0066406 0.0261274 0.0088943 1.1806623 7 La 3.5951300 -0.0662778 0.0950934 0.0976063 4.7096907 -0.0246027 0.2210044 -0.0345474 4.8921426 8 La 3.5951300 0.0662778 0.0950934 -0.0976063 4.7096907 0.0246027 0.2210044 0.0345474 4.8921426 9 As 3.2129835 -0.0297403 0.0025988 0.0306790 3.5690965 0.0457770 0.1059090 -0.0180258 3.5352974 10 As 3.2129835 0.0297403 0.0025988 -0.0306790 3.5690965 -0.0457770 0.1059090 0.0180258 3.5352974 11 As 2.3911439 0.0335535 -0.0468361 -0.0936110 3.4663107 -0.0082075 -0.2800140 -0.0177066 3.1766904 12 As 2.3911439 -0.0335535 -0.0468361 0.0936110 3.4663107 0.0082075 -0.2800140 0.0177066 3.1766904 13 O -2.2824757 -0.0488726 0.0172526 -0.0281229 -1.2962105 0.0163801 -0.0260200 0.0095783 -1.3415868 14 O -2.2824757 0.0488726 0.0172526 0.0281229 -1.2962105 -0.0163801 -0.0260200 -0.0095783 -1.3415868 15 O -1.6850094 -0.1647646 0.1645529 -0.1970325 -1.5628725 -0.2528640 0.2135156 -0.2515294 -1.8202153 16 O -1.6850094 0.1647646 0.1645529 0.1970325 -1.5628725 0.2528640 0.2135156 0.2515294 -1.8202153 17 O -1.5900872 -0.0066822 -0.2124562 -0.0419545 -1.2782995 -0.1193061 0.0283066 -0.0799923 -2.1780465 18 O -1.5900872 0.0066822 -0.2124562 0.0419545 -1.2782995 0.1193061 0.0283066 0.0799923 -2.1780465 19 O -1.3557978 0.2020763 0.0403190 0.3147571 -2.4589140 0.5714698 -0.0872090 0.6254840 -1.5976418 20 O -1.3557978 -0.2020763 0.0403190 -0.3147571 -2.4589140 -0.5714698 -0.0872090 -0.6254840 -1.5976418 21 O -1.5872657 0.0150306 0.0790332 -0.1401295 -2.1535264 -0.4895397 0.0034880 -0.5385661 -1.5209227 22 O -1.5872657 -0.0150306 0.0790332 0.1401295 -2.1535264 0.4895397 0.0034880 0.5385661 -1.5209227 23 O -1.5518018 -0.5195061 -0.4104918 -0.7679887 -2.5598119 -0.8421851 -0.4756933 -0.7311842 -1.8343301 24 O -1.5518018 0.5195061 -0.4104918 0.7679887 -2.5598119 0.8421851 -0.4756933 0.7311842 -1.8343301 25 O -1.5725789 0.5831352 -0.4434035 0.7865642 -2.5593865 0.8967780 -0.5130207 0.7958365 -1.8615326 26 O -1.5725789 -0.5831352 -0.4434035 -0.7865642 -2.5593865 -0.8967780 -0.5130207 -0.7958365 -1.8615326 27 O -1.5352143 0.0054588 0.5774318 0.0119195 -1.3323956 0.0085829 0.6849732 -0.0180099 -2.9444663 28 O -1.5352143 -0.0054588 0.5774318 -0.0119195 -1.3323956 -0.0085829 0.6849732 0.0180099 -2.9444663 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000002 (xxx) -0.00000002 (xxx) -0.00000002 (xxx) 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 ... [ 7 8 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: 0.54, Number of G-points: 301, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/90) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.321 ( 0.000 0.000 0.000) 0.000 1.754 ( 0.000 0.000 0.000) 0.000 1.825 ( 0.000 0.000 0.000) 0.000 1.989 ( 0.000 0.000 0.000) 0.000 2.062 ( 0.000 0.000 0.000) 0.000 2.236 ( 0.000 0.000 0.000) 0.000 2.383 ( 0.000 0.000 0.000) 0.000 2.390 ( 0.000 0.000 0.000) 0.000 2.489 ( 0.000 0.000 0.000) 0.000 2.668 ( 0.000 0.000 0.000) 0.000 2.936 ( 0.000 0.000 0.000) 0.000 2.946 ( 0.000 0.000 0.000) 0.000 3.081 ( 0.000 0.000 0.000) 0.000 3.188 ( 0.000 0.000 0.000) 0.000 3.265 ( 0.000 0.000 0.000) 0.000 3.280 ( 0.000 0.000 0.000) 0.000 3.352 ( 0.000 0.000 0.000) 0.000 3.439 ( 0.000 0.000 0.000) 0.000 3.566 ( 0.000 0.000 0.000) 0.000 3.661 ( 0.000 0.000 0.000) 0.000 3.765 ( 0.000 0.000 0.000) 0.000 3.793 ( 0.000 0.000 0.000) 0.000 3.892 ( 0.000 0.000 0.000) 0.000 4.038 ( 0.000 0.000 0.000) 0.000 4.119 ( 0.000 0.000 0.000) 0.000 4.122 ( 0.000 0.000 0.000) 0.000 4.157 ( 0.000 0.000 0.000) 0.000 4.184 ( 0.000 0.000 0.000) 0.000 4.291 ( 0.000 0.000 0.000) 0.000 4.334 ( 0.000 0.000 0.000) 0.000 4.523 ( 0.000 0.000 0.000) 0.000 4.631 ( 0.000 0.000 0.000) 0.000 4.688 ( 0.000 0.000 0.000) 0.000 4.771 ( 0.000 0.000 0.000) 0.000 4.914 ( 0.000 0.000 0.000) 0.000 4.946 ( 0.000 0.000 0.000) 0.000 4.950 ( 0.000 0.000 0.000) 0.000 5.227 ( 0.000 0.000 0.000) 0.000 5.337 ( 0.000 0.000 0.000) 0.000 5.522 ( 0.000 0.000 0.000) 0.000 5.585 ( 0.000 0.000 0.000) 0.000 5.709 ( 0.000 0.000 0.000) 0.000 5.789 ( 0.000 0.000 0.000) 0.000 6.163 ( 0.000 0.000 0.000) 0.000 6.175 ( 0.000 0.000 0.000) 0.000 8.423 ( 0.000 0.000 0.000) 0.000 8.636 ( 0.000 0.000 0.000) 0.000 8.927 ( 0.000 0.000 0.000) 0.000 9.130 ( 0.000 0.000 0.000) 0.000 9.138 ( 0.000 0.000 0.000) 0.000 9.581 ( 0.000 0.000 0.000) 0.000 9.997 ( 0.000 0.000 0.000) 0.000 10.258 ( 0.000 0.000 0.000) 0.000 10.437 ( 0.000 0.000 0.000) 0.000 10.690 ( 0.000 0.000 0.000) 0.000 10.994 ( 0.000 0.000 0.000) 0.000 11.080 ( 0.000 0.000 0.000) 0.000 11.338 ( 0.000 0.000 0.000) 0.000 11.344 ( 0.000 0.000 0.000) 0.000 11.371 ( 0.000 0.000 0.000) 0.000 11.582 ( 0.000 0.000 0.000) 0.000 11.850 ( 0.000 0.000 0.000) 0.000 12.242 ( 0.000 0.000 0.000) 0.000 12.502 ( 0.000 0.000 0.000) 0.000 13.087 ( 0.000 0.000 0.000) 0.000 21.794 ( 0.000 0.000 0.000) 0.000 21.800 ( 0.000 0.000 0.000) 0.000 21.849 ( 0.000 0.000 0.000) 0.000 22.314 ( 0.000 0.000 0.000) 0.000 22.408 ( 0.000 0.000 0.000) 0.000 22.489 ( 0.000 0.000 0.000) 0.000 22.910 ( 0.000 0.000 0.000) 0.000 23.011 ( 0.000 0.000 0.000) 0.000 23.208 ( 0.000 0.000 0.000) 0.000 23.367 ( 0.000 0.000 0.000) 0.000 23.420 ( 0.000 0.000 0.000) 0.000 23.656 ( 0.000 0.000 0.000) 0.000 24.431 ( 0.000 0.000 0.000) 0.000 24.462 ( 0.000 0.000 0.000) 0.000 24.635 ( 0.000 0.000 0.000) 0.000 24.985 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/90) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.365 ( 18.570 0.000 -0.340) 18.573 0.426 ( 22.525 0.000 1.473) 22.573 0.766 ( 39.302 0.000 3.457) 39.454 1.403 ( 7.150 0.000 -1.799) 7.373 1.615 ( -8.522 0.000 2.895) 9.001 1.904 ( 4.057 0.000 1.685) 4.393 1.983 ( 0.544 0.000 -11.932) 11.944 2.113 ( 2.725 0.000 4.710) 5.441 2.329 ( 8.298 0.000 2.053) 8.548 2.372 ( -1.828 0.000 -1.952) 2.674 2.445 ( 3.593 0.000 0.211) 3.599 2.525 ( 3.435 0.000 2.847) 4.461 2.711 ( 4.407 0.000 -1.523) 4.663 2.859 ( -8.079 0.000 4.404) 9.202 2.968 ( 0.963 0.000 -4.759) 4.855 3.070 ( -1.346 0.000 3.306) 3.570 3.202 ( 0.530 0.000 -2.451) 2.507 3.229 ( -2.010 0.000 -2.500) 3.208 3.300 ( 1.568 0.000 1.726) 2.332 3.424 ( 2.319 0.000 -2.683) 3.546 3.473 ( 2.660 0.000 0.021) 2.660 3.639 ( 5.342 0.000 3.409) 6.337 3.687 ( -1.546 0.000 10.571) 10.683 3.748 ( -1.408 0.000 -2.640) 2.992 3.805 ( -0.228 0.000 -0.860) 0.890 3.917 ( 1.048 0.000 0.157) 1.059 4.033 ( -2.295 0.000 -1.080) 2.537 4.099 ( -2.936 0.000 1.250) 3.191 4.134 ( 2.081 0.000 2.978) 3.633 4.174 ( -0.181 0.000 0.823) 0.843 4.238 ( -1.089 0.000 -0.766) 1.331 4.358 ( 1.869 0.000 -0.389) 1.909 4.398 ( 2.026 0.000 -4.006) 4.489 4.489 ( -4.421 0.000 -12.984) 13.716 4.647 ( -2.500 0.000 1.310) 2.822 4.765 ( -1.750 0.000 -3.047) 3.514 4.834 ( 0.538 0.000 -12.074) 12.086 4.920 ( -0.429 0.000 0.433) 0.609 4.950 ( 0.395 0.000 -2.899) 2.926 5.125 ( -6.717 0.000 -17.960) 19.174 5.179 ( -2.794 0.000 -7.434) 7.941 5.404 ( 0.750 0.000 6.108) 6.154 5.555 ( 4.510 0.000 8.386) 9.522 5.618 ( 0.616 0.000 -5.339) 5.375 5.715 ( 0.687 0.000 0.580) 0.899 6.129 ( -0.288 0.000 -1.933) 1.954 6.175 ( -0.400 0.000 -1.468) 1.521 6.546 ( -6.152 0.000 35.590) 36.118 8.432 ( 0.895 0.000 0.110) 0.902 8.664 ( 2.858 0.000 0.255) 2.870 8.881 ( -3.729 0.000 -2.594) 4.542 9.116 ( -1.272 0.000 0.048) 1.273 9.202 ( 5.312 0.000 1.874) 5.632 9.548 ( -3.175 0.000 -0.487) 3.212 9.958 ( -3.793 0.000 1.492) 4.076 10.369 ( 3.033 0.000 1.846) 3.550 10.474 ( 3.175 0.000 0.597) 3.231 10.929 ( -4.883 0.000 -12.639) 13.550 11.015 ( -2.069 0.000 18.902) 19.015 11.131 ( 3.022 0.000 2.033) 3.643 11.334 ( -1.130 0.000 5.852) 5.960 11.354 ( 0.592 0.000 -2.389) 2.461 11.428 ( -0.081 0.000 1.504) 1.506 11.608 ( -0.514 0.000 -4.052) 4.084 11.835 ( -1.439 0.000 0.328) 1.476 12.324 ( -1.365 0.000 -9.468) 9.566 13.101 ( 1.433 0.000 -2.986) 3.312 13.333 ( -1.376 0.000 3.387) 3.656 21.793 ( -0.107 0.000 0.139) 0.175 21.800 ( 0.055 0.000 -0.052) 0.076 21.851 ( 0.230 0.000 -0.143) 0.271 22.405 ( -0.228 0.000 2.025) 2.038 22.434 ( 0.437 0.000 8.681) 8.692 22.500 ( -0.722 0.000 -18.641) 18.655 22.920 ( 0.937 0.000 0.030) 0.938 23.105 ( 1.123 0.000 4.802) 4.932 23.222 ( 1.204 0.000 0.877) 1.489 23.378 ( 1.352 0.000 -0.264) 1.378 23.491 ( 2.600 0.000 -3.272) 4.179 24.121 ( -2.837 0.000 9.280) 9.704 24.453 ( -0.951 0.000 -0.018) 0.951 24.610 ( -2.282 0.000 -0.089) 2.284 24.989 ( 0.511 0.000 0.746) 0.905 25.250 ( -1.283 0.000 5.301) 5.454 ======================= Grid point 2 (3/90) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.665 ( 13.047 0.000 -0.758) 13.069 0.834 ( 20.570 0.000 0.898) 20.589 1.412 ( -5.439 0.000 -1.590) 5.667 1.420 ( 27.135 0.000 7.718) 28.211 1.625 ( 10.370 0.000 -2.558) 10.681 1.981 ( 4.352 0.000 1.997) 4.789 2.003 ( 1.965 0.000 -7.040) 7.309 2.147 ( 0.526 0.000 3.897) 3.932 2.312 ( -4.472 0.000 -3.094) 5.438 2.470 ( 1.573 0.000 1.784) 2.379 2.497 ( 2.159 0.000 -1.449) 2.600 2.579 ( 1.016 0.000 2.444) 2.647 2.728 ( 0.009 0.000 4.593) 4.593 2.825 ( 5.034 0.000 1.983) 5.411 2.987 ( 1.234 0.000 -4.317) 4.490 3.068 ( 1.743 0.000 4.474) 4.802 3.115 ( -3.296 0.000 1.755) 3.734 3.252 ( -0.702 0.000 -4.243) 4.300 3.400 ( 8.012 0.000 -2.398) 8.363 3.482 ( 3.448 0.000 -1.328) 3.695 3.526 ( 2.932 0.000 0.801) 3.039 3.668 ( -2.174 0.000 5.883) 6.272 3.696 ( -0.180 0.000 -2.932) 2.937 3.727 ( 1.411 0.000 2.587) 2.947 3.798 ( -1.725 0.000 1.812) 2.501 3.886 ( -2.505 0.000 -1.352) 2.847 3.992 ( -1.516 0.000 -1.935) 2.458 4.033 ( -3.013 0.000 1.500) 3.365 4.150 ( -3.810 0.000 1.315) 4.031 4.202 ( 1.854 0.000 0.233) 1.869 4.262 ( 1.864 0.000 1.453) 2.363 4.334 ( -2.785 0.000 -1.055) 2.978 4.399 ( 2.873 0.000 -0.066) 2.874 4.445 ( -1.389 0.000 -6.798) 6.939 4.623 ( -0.953 0.000 -1.441) 1.727 4.714 ( -1.820 0.000 -5.371) 5.672 4.813 ( -3.918 0.000 -1.403) 4.162 4.876 ( -1.662 0.000 -5.923) 6.151 4.983 ( 2.058 0.000 -3.155) 3.767 5.037 ( -1.755 0.000 -2.348) 2.931 5.132 ( -1.774 0.000 -4.393) 4.737 5.383 ( -1.748 0.000 3.688) 4.082 5.602 ( -1.633 0.000 -2.549) 3.027 5.660 ( 3.596 0.000 8.412) 9.148 5.740 ( 2.314 0.000 1.413) 2.711 6.127 ( 0.084 0.000 -5.417) 5.418 6.155 ( -1.354 0.000 0.519) 1.450 6.419 ( -7.897 0.000 14.871) 16.838 8.452 ( 1.127 0.000 0.219) 1.148 8.731 ( 3.752 0.000 0.839) 3.845 8.815 ( -2.807 0.000 -3.009) 4.115 9.088 ( -1.549 0.000 -0.405) 1.601 9.304 ( 4.957 0.000 2.270) 5.452 9.479 ( -3.796 0.000 -1.098) 3.952 9.880 ( -3.950 0.000 1.083) 4.096 10.440 ( 3.897 0.000 0.924) 4.005 10.526 ( 1.751 0.000 0.059) 1.752 10.838 ( -3.298 0.000 -4.514) 5.590 10.988 ( -1.802 0.000 6.540) 6.784 11.194 ( 3.738 0.000 -1.349) 3.974 11.308 ( -2.010 0.000 10.975) 11.157 11.339 ( -1.500 0.000 -5.152) 5.366 11.426 ( -0.808 0.000 -0.029) 0.809 11.601 ( 0.155 0.000 -1.710) 1.717 11.803 ( -1.783 0.000 0.777) 1.945 12.293 ( -1.351 0.000 -4.721) 4.911 13.134 ( 2.182 0.000 -4.495) 4.996 13.299 ( -2.356 0.000 3.663) 4.355 21.791 ( -0.100 0.000 0.089) 0.134 21.801 ( 0.036 0.000 -0.044) 0.057 21.856 ( 0.299 0.000 -0.179) 0.348 22.404 ( -0.040 0.000 1.332) 1.333 22.445 ( 0.391 0.000 1.686) 1.730 22.477 ( -1.027 0.000 -5.523) 5.617 22.940 ( 1.036 0.000 0.044) 1.037 23.133 ( 1.499 0.000 2.151) 2.622 23.244 ( 0.905 0.000 1.056) 1.391 23.424 ( 3.711 0.000 -0.222) 3.718 23.548 ( 3.027 0.000 -1.008) 3.190 24.043 ( -5.660 0.000 3.675) 6.748 24.431 ( -1.208 0.000 -0.175) 1.221 24.569 ( -1.820 0.000 -0.423) 1.869 25.004 ( 1.012 0.000 0.637) 1.196 25.221 ( -1.838 0.000 0.481) 1.900 ======================= Grid point 3 (4/90) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( 4.847 0.000 -0.197) 4.850 1.147 ( 10.635 0.000 0.088) 10.635 1.324 ( -2.560 0.000 -0.826) 2.690 1.663 ( 3.412 0.000 2.216) 4.069 1.910 ( 11.828 0.000 0.803) 11.856 2.027 ( 1.357 0.000 -4.081) 4.301 2.088 ( 5.738 0.000 5.048) 7.642 2.124 ( -2.462 0.000 3.230) 4.061 2.209 ( -5.737 0.000 -4.638) 7.377 2.368 ( -4.443 0.000 -1.094) 4.575 2.567 ( 2.649 0.000 -2.213) 3.452 2.595 ( -0.160 0.000 1.208) 1.218 2.809 ( 4.475 0.000 2.590) 5.170 2.851 ( -0.965 0.000 2.915) 3.071 2.992 ( -0.018 0.000 -3.434) 3.434 3.090 ( -0.463 0.000 0.170) 0.493 3.169 ( 3.860 0.000 3.800) 5.417 3.274 ( 6.796 0.000 -0.968) 6.865 3.441 ( -5.977 0.000 -1.958) 6.289 3.517 ( 0.720 0.000 -1.146) 1.353 3.595 ( 2.658 0.000 -0.337) 2.679 3.637 ( 0.441 0.000 -0.478) 0.651 3.707 ( -0.553 0.000 4.574) 4.608 3.712 ( -1.296 0.000 -1.179) 1.752 3.749 ( -1.219 0.000 1.563) 1.982 3.897 ( 2.414 0.000 -0.908) 2.579 3.952 ( -4.086 0.000 -0.786) 4.161 4.020 ( 2.899 0.000 -0.563) 2.954 4.056 ( -1.929 0.000 1.772) 2.620 4.157 ( -6.020 0.000 -2.888) 6.677 4.296 ( 1.042 0.000 1.652) 1.953 4.333 ( -0.154 0.000 0.505) 0.528 4.423 ( 0.432 0.000 -0.457) 0.628 4.461 ( 2.460 0.000 -0.834) 2.597 4.588 ( -1.799 0.000 -2.959) 3.464 4.715 ( 1.065 0.000 -1.836) 2.122 4.753 ( -1.397 0.000 0.429) 1.461 4.855 ( -0.727 0.000 -2.035) 2.161 4.991 ( -0.289 0.000 -2.517) 2.534 5.046 ( 1.284 0.000 0.947) 1.596 5.108 ( -0.784 0.000 -1.562) 1.748 5.371 ( 0.308 0.000 2.730) 2.747 5.551 ( -2.638 0.000 -2.327) 3.518 5.689 ( 0.194 0.000 2.436) 2.444 5.792 ( 1.958 0.000 2.276) 3.003 6.121 ( -0.071 0.000 -5.219) 5.220 6.144 ( -0.080 0.000 2.300) 2.301 6.300 ( -4.251 0.000 5.034) 6.589 8.468 ( 0.516 0.000 0.131) 0.532 8.764 ( -0.574 0.000 0.328) 0.661 8.803 ( 1.469 0.000 -1.171) 1.878 9.065 ( -0.693 0.000 -0.228) 0.729 9.375 ( 2.519 0.000 2.805) 3.771 9.418 ( -2.484 0.000 -2.371) 3.434 9.829 ( -1.393 0.000 0.297) 1.424 10.497 ( 1.835 0.000 0.841) 2.019 10.534 ( -0.374 0.000 -0.673) 0.770 10.814 ( 0.278 0.000 -1.490) 1.516 10.955 ( -1.516 0.000 2.070) 2.566 11.263 ( 3.425 0.000 -4.004) 5.269 11.279 ( -1.059 0.000 5.392) 5.495 11.309 ( -1.687 0.000 2.039) 2.646 11.397 ( -1.590 0.000 -1.789) 2.394 11.609 ( 0.423 0.000 -0.557) 0.699 11.777 ( -0.901 0.000 0.528) 1.045 12.275 ( -0.425 0.000 -1.586) 1.641 13.172 ( 1.844 0.000 -3.443) 3.905 13.256 ( -2.004 0.000 3.005) 3.612 21.790 ( -0.039 0.000 0.031) 0.050 21.801 ( 0.010 0.000 -0.016) 0.019 21.860 ( 0.138 0.000 -0.080) 0.159 22.404 ( 0.025 0.000 0.509) 0.510 22.447 ( -0.143 0.000 -1.057) 1.067 22.464 ( -0.163 0.000 -0.074) 0.179 22.954 ( 0.424 0.000 0.016) 0.424 23.155 ( 0.638 0.000 0.626) 0.893 23.254 ( 0.235 0.000 0.418) 0.480 23.508 ( 4.437 0.000 -0.485) 4.464 23.578 ( -0.275 0.000 0.635) 0.692 23.943 ( -3.786 0.000 0.674) 3.845 24.415 ( -0.395 0.000 -0.139) 0.419 24.545 ( -0.662 0.000 -0.196) 0.690 25.023 ( 0.747 0.000 0.546) 0.926 25.191 ( -1.085 0.000 -0.395) 1.155 ======================= Grid point 7 (5/90) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.443 ( 0.000 21.369 0.000) 21.369 0.531 ( 0.000 24.767 0.000) 24.767 0.944 ( 0.000 37.783 0.000) 37.783 1.275 ( 0.000 -0.698 0.000) 0.698 1.874 ( 0.000 6.799 0.000) 6.799 2.011 ( 0.000 9.773 0.000) 9.773 2.123 ( 0.000 12.116 0.000) 12.116 2.164 ( 0.000 -4.341 0.000) 4.341 2.286 ( 0.000 17.132 0.000) 17.132 2.432 ( 0.000 -2.420 0.000) 2.420 2.434 ( 0.000 6.273 0.000) 6.273 2.625 ( 0.000 0.775 0.000) 0.775 2.717 ( 0.000 4.746 0.000) 4.746 2.932 ( 0.000 -1.353 0.000) 1.353 2.979 ( 0.000 2.414 0.000) 2.414 3.106 ( 0.000 -1.872 0.000) 1.872 3.155 ( 0.000 -2.457 0.000) 2.457 3.186 ( 0.000 -4.368 0.000) 4.368 3.349 ( 0.000 3.434 0.000) 3.434 3.426 ( 0.000 4.347 0.000) 4.347 3.510 ( 0.000 -0.299 0.000) 0.299 3.541 ( 0.000 2.170 0.000) 2.170 3.659 ( 0.000 -2.919 0.000) 2.919 3.763 ( 0.000 -0.693 0.000) 0.693 3.768 ( 0.000 0.854 0.000) 0.854 3.897 ( 0.000 -5.926 0.000) 5.926 3.975 ( 0.000 3.671 0.000) 3.671 4.107 ( 0.000 -1.567 0.000) 1.567 4.162 ( 0.000 1.035 0.000) 1.035 4.229 ( 0.000 2.762 0.000) 2.762 4.258 ( 0.000 -1.581 0.000) 1.581 4.281 ( 0.000 0.256 0.000) 0.256 4.525 ( 0.000 0.028 0.000) 0.028 4.586 ( 0.000 -0.972 0.000) 0.972 4.658 ( 0.000 3.033 0.000) 3.033 4.733 ( 0.000 2.526 0.000) 2.526 4.758 ( 0.000 -0.399 0.000) 0.399 4.880 ( 0.000 -5.022 0.000) 5.022 4.927 ( 0.000 0.034 0.000) 0.034 5.159 ( 0.000 -4.780 0.000) 4.780 5.298 ( 0.000 5.824 0.000) 5.824 5.471 ( 0.000 6.991 0.000) 6.991 5.550 ( 0.000 -3.682 0.000) 3.682 5.631 ( 0.000 1.889 0.000) 1.889 5.769 ( 0.000 -1.074 0.000) 1.074 6.036 ( 0.000 -9.027 0.000) 9.027 6.221 ( 0.000 4.896 0.000) 4.896 6.844 ( 0.000 -7.028 0.000) 7.028 8.474 ( 0.000 2.217 0.000) 2.217 8.845 ( 0.000 -0.668 0.000) 0.668 8.850 ( 0.000 -5.799 0.000) 5.799 9.176 ( 0.000 2.692 0.000) 2.692 9.214 ( 0.000 1.801 0.000) 1.801 9.572 ( 0.000 -1.011 0.000) 1.011 9.993 ( 0.000 0.127 0.000) 0.127 10.254 ( 0.000 -0.317 0.000) 0.317 10.700 ( 0.000 1.274 0.000) 1.274 10.724 ( 0.000 1.497 0.000) 1.497 10.950 ( 0.000 -3.238 0.000) 3.238 11.205 ( 0.000 -0.972 0.000) 0.972 11.411 ( 0.000 4.535 0.000) 4.535 11.419 ( 0.000 3.192 0.000) 3.192 11.617 ( 0.000 3.409 0.000) 3.409 11.739 ( 0.000 -0.468 0.000) 0.468 12.028 ( 0.000 0.216 0.000) 0.216 12.253 ( 0.000 0.670 0.000) 0.670 12.463 ( 0.000 -3.137 0.000) 3.137 13.077 ( 0.000 -4.255 0.000) 4.255 21.819 ( 0.000 1.984 0.000) 1.984 21.838 ( 0.000 -0.608 0.000) 0.608 22.265 ( 0.000 5.571 0.000) 5.571 22.321 ( 0.000 0.971 0.000) 0.971 22.523 ( 0.000 3.001 0.000) 3.001 22.821 ( 0.000 0.496 0.000) 0.496 23.021 ( 0.000 0.827 0.000) 0.827 23.149 ( 0.000 -3.153 0.000) 3.153 23.365 ( 0.000 -0.023 0.000) 0.023 23.416 ( 0.000 -0.336 0.000) 0.336 23.652 ( 0.000 -0.322 0.000) 0.322 24.358 ( 0.000 -8.009 0.000) 8.009 24.437 ( 0.000 0.590 0.000) 0.590 24.572 ( 0.000 -2.332 0.000) 2.332 24.846 ( 0.000 5.764 0.000) 5.764 24.978 ( 0.000 -0.534 0.000) 0.534 ======================= Grid point 8 (6/90) ======================= q-point: ( 0.14 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.617 ( 15.938 12.965 -5.643) 21.306 0.717 ( 16.505 17.990 2.945) 24.591 1.148 ( 17.816 33.035 2.849) 37.640 1.360 ( 8.839 -1.490 0.722) 8.993 1.806 ( -6.005 12.583 -0.965) 13.975 2.009 ( 0.711 4.224 -1.169) 4.440 2.132 ( 1.674 10.486 -1.637) 10.744 2.214 ( 1.679 4.757 -1.048) 5.152 2.353 ( 7.066 9.024 3.077) 11.867 2.447 ( 1.782 3.652 4.940) 6.397 2.471 ( 3.119 1.681 0.260) 3.553 2.564 ( -1.855 4.323 -1.355) 4.895 2.766 ( 3.241 4.320 -0.889) 5.473 2.877 ( -6.146 0.921 1.670) 6.435 2.985 ( 0.889 0.850 0.282) 1.262 3.084 ( -2.481 0.078 1.799) 3.066 3.164 ( 3.317 -1.836 -3.468) 5.138 3.238 ( 2.687 -2.525 -0.184) 3.692 3.297 ( -2.842 2.903 -1.638) 4.380 3.462 ( 0.741 1.550 -1.608) 2.353 3.495 ( 0.231 3.425 2.171) 4.061 3.563 ( 1.953 -4.684 2.290) 5.568 3.672 ( 2.149 -1.825 0.611) 2.885 3.750 ( -0.778 1.172 -2.046) 2.483 3.782 ( 0.244 -0.809 2.376) 2.522 3.870 ( -2.390 -4.205 -1.948) 5.215 4.003 ( 1.089 1.043 0.695) 1.660 4.083 ( -0.509 -1.888 -0.004) 1.956 4.151 ( -2.378 1.150 1.962) 3.290 4.185 ( -1.240 0.543 1.654) 2.137 4.238 ( -0.722 0.893 0.643) 1.316 4.320 ( 2.417 -0.477 -1.299) 2.785 4.485 ( -3.923 2.115 -3.024) 5.386 4.561 ( -1.011 1.974 -2.472) 3.321 4.681 ( -3.642 3.124 0.606) 4.836 4.731 ( 0.416 -1.140 -2.959) 3.198 4.777 ( 4.413 -2.745 -0.386) 5.211 4.881 ( -0.512 -3.181 -6.161) 6.952 4.924 ( -0.039 0.248 1.026) 1.056 5.149 ( -2.059 0.341 -3.344) 3.942 5.309 ( -2.606 3.444 0.146) 4.321 5.384 ( -2.054 2.272 2.356) 3.864 5.574 ( -3.168 0.382 -4.832) 5.791 5.619 ( 3.277 1.044 0.869) 3.547 5.786 ( 0.714 1.198 7.268) 7.400 6.042 ( 0.624 -8.643 -4.065) 9.571 6.216 ( -0.363 4.978 -0.225) 4.996 6.658 ( -14.245 0.662 6.252) 15.570 8.487 ( 1.346 3.197 -0.542) 3.511 8.788 ( -1.904 2.231 2.985) 4.185 8.851 ( -1.209 -0.564 -6.416) 6.553 9.138 ( -0.154 0.224 -0.389) 0.475 9.257 ( 1.568 4.728 1.223) 5.129 9.546 ( -2.781 -0.414 -0.094) 2.813 9.962 ( -3.033 0.587 1.047) 3.262 10.288 ( 2.953 -2.936 1.297) 4.361 10.617 ( -1.658 7.141 0.169) 7.333 10.821 ( 2.893 -5.837 -4.821) 8.104 10.941 ( -0.265 -3.843 -0.287) 3.863 11.105 ( -7.175 2.058 8.818) 11.553 11.336 ( -3.049 0.407 3.138) 4.394 11.475 ( 0.295 3.446 0.766) 3.542 11.550 ( -4.725 6.584 -0.693) 8.134 11.675 ( -1.434 4.321 -0.358) 4.567 11.869 ( -3.725 3.637 2.906) 5.962 12.311 ( 0.002 -1.322 -6.837) 6.964 12.839 ( 18.216 -18.689 0.299) 26.099 13.100 ( 2.420 -6.023 0.071) 6.492 21.820 ( 0.168 2.023 0.235) 2.043 21.839 ( 0.127 -0.412 -0.448) 0.622 22.197 ( -5.738 12.476 0.916) 13.763 22.348 ( 1.673 -0.384 1.237) 2.116 22.519 ( -0.483 3.126 1.268) 3.408 22.722 ( -10.466 8.402 -6.005) 14.703 22.999 ( -1.553 4.527 -2.207) 5.270 23.162 ( 1.043 -1.184 2.609) 3.049 23.265 ( -8.785 7.764 2.306) 11.949 23.390 ( 0.546 1.319 -0.482) 1.507 23.506 ( -0.598 1.976 -4.585) 5.028 24.140 ( -6.930 0.423 5.707) 8.988 24.459 ( -0.686 0.382 -0.170) 0.803 24.595 ( -0.488 -1.699 -0.059) 1.768 24.955 ( -0.609 -3.175 4.142) 5.254 25.070 ( 8.037 -7.635 -1.781) 11.227 ======================= Grid point 9 (7/90) ======================= q-point: ( 0.29 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( 17.764 11.119 -0.545) 20.964 1.031 ( 15.393 19.219 -2.010) 24.705 1.435 ( 10.876 7.011 8.387) 15.421 1.564 ( 8.181 10.707 -3.851) 14.014 1.735 ( 1.684 11.659 -1.855) 11.925 2.045 ( 3.387 1.549 0.929) 3.838 2.167 ( 1.643 7.887 -1.199) 8.145 2.229 ( 0.643 8.966 -1.277) 9.079 2.404 ( -1.021 12.990 0.969) 13.066 2.492 ( -1.710 0.701 3.217) 3.711 2.543 ( 3.684 1.298 -0.466) 3.934 2.615 ( 5.222 5.507 2.552) 8.007 2.760 ( -1.507 3.016 1.400) 3.651 2.833 ( 3.760 1.709 -1.308) 4.332 2.998 ( 0.401 0.474 2.764) 2.832 3.085 ( 2.167 1.320 0.432) 2.573 3.152 ( -2.620 2.721 0.919) 3.888 3.250 ( -1.224 -0.106 -4.310) 4.481 3.347 ( 5.519 -4.215 -2.188) 7.281 3.466 ( 1.870 -1.606 -1.141) 2.716 3.532 ( 1.121 0.423 -1.593) 1.993 3.580 ( 0.624 -4.486 6.311) 7.768 3.721 ( -0.512 -0.614 -0.412) 0.899 3.739 ( 1.475 1.394 -1.089) 2.303 3.778 ( -0.211 0.896 2.588) 2.747 3.836 ( 0.615 -3.075 -0.502) 3.175 3.995 ( -1.279 -1.117 1.064) 2.004 4.055 ( -4.814 0.986 -1.162) 5.049 4.127 ( 1.578 -1.464 -1.130) 2.431 4.188 ( -0.342 -1.940 -0.401) 2.011 4.258 ( 1.807 0.817 3.480) 4.006 4.317 ( -4.314 1.249 -1.765) 4.826 4.411 ( -0.093 2.077 -1.396) 2.504 4.548 ( -0.443 3.352 -2.190) 4.028 4.629 ( -1.540 0.859 1.517) 2.326 4.724 ( -0.653 -0.652 -3.995) 4.100 4.809 ( -3.080 -2.526 -6.699) 7.794 4.866 ( 0.588 2.915 -0.802) 3.080 4.937 ( 1.745 -0.889 1.055) 2.224 5.090 ( -2.670 1.963 -1.734) 3.740 5.229 ( -3.290 5.666 -1.858) 6.810 5.386 ( -0.561 0.019 2.300) 2.368 5.533 ( -1.042 -3.826 -0.917) 4.070 5.661 ( 0.506 0.710 0.525) 1.018 5.800 ( 0.871 1.968 6.356) 6.711 6.056 ( 1.245 -6.739 -4.183) 8.029 6.210 ( -0.357 4.891 -0.176) 4.908 6.420 ( -11.244 -0.144 5.573) 12.550 8.518 ( 1.828 4.870 -0.492) 5.225 8.770 ( -1.254 -0.763 0.552) 1.568 8.848 ( 1.961 5.685 -3.024) 6.731 9.139 ( -0.434 2.523 0.320) 2.580 9.291 ( 2.308 0.432 0.942) 2.530 9.481 ( -3.685 0.325 -0.653) 3.756 9.896 ( -3.557 1.570 0.748) 3.959 10.356 ( 3.916 -5.453 0.975) 6.784 10.611 ( -0.618 5.601 0.032) 5.635 10.805 ( -2.127 -2.955 -4.999) 6.184 10.971 ( 2.092 -4.862 4.474) 6.931 11.024 ( -1.758 -2.837 1.234) 3.559 11.288 ( -2.347 -1.434 5.987) 6.589 11.431 ( -3.130 2.918 1.433) 4.513 11.506 ( -1.676 5.408 -3.210) 6.508 11.677 ( 1.084 4.886 -1.739) 5.298 11.820 ( -2.362 2.190 3.225) 4.558 12.304 ( -0.177 0.568 -3.734) 3.781 13.020 ( 4.442 -11.170 -2.595) 12.298 13.148 ( 1.777 -8.970 1.663) 9.294 21.825 ( 0.313 2.196 0.412) 2.256 21.841 ( 0.048 0.036 -0.721) 0.723 22.096 ( -4.414 17.822 1.080) 18.393 22.377 ( 1.467 -0.794 1.476) 2.227 22.506 ( -1.117 3.681 0.285) 3.857 22.555 ( -5.473 7.803 -4.773) 10.660 22.991 ( 0.423 4.731 -0.497) 4.775 23.185 ( 1.355 3.359 2.813) 4.586 23.218 ( 0.479 -1.309 0.869) 1.642 23.425 ( 3.155 0.177 -0.450) 3.192 23.536 ( 2.335 -0.992 -1.231) 2.820 24.034 ( -5.670 -0.902 2.738) 6.361 24.439 ( -1.182 0.666 -0.166) 1.367 24.578 ( -1.070 0.691 -0.229) 1.294 24.941 ( -0.577 -5.569 1.165) 5.719 25.141 ( 1.148 -5.682 -0.739) 5.843 ======================= Grid point 10 (8/90) ======================= q-point: ( 0.43 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( 7.165 22.747 0.187) 23.850 1.252 ( 7.147 12.909 -1.340) 14.816 1.530 ( 0.258 15.222 0.678) 15.239 1.681 ( 7.901 0.600 3.632) 8.716 1.794 ( 0.080 -1.888 -4.314) 4.710 2.083 ( -1.446 -1.684 1.419) 2.634 2.206 ( 2.789 8.555 2.849) 9.439 2.256 ( 1.904 11.306 0.469) 11.475 2.356 ( -3.780 10.661 -3.864) 11.953 2.409 ( -2.453 7.614 1.455) 8.131 2.594 ( 2.266 2.760 -0.177) 3.575 2.645 ( -0.992 5.066 -0.660) 5.204 2.841 ( 4.997 1.347 1.807) 5.482 2.898 ( 2.500 3.250 -0.290) 4.111 3.017 ( -0.024 1.392 2.213) 2.615 3.088 ( -0.274 -0.143 -0.926) 0.976 3.133 ( -0.494 -1.120 0.892) 1.515 3.280 ( 3.389 -0.129 -1.508) 3.712 3.376 ( -0.311 -3.724 -1.206) 3.927 3.508 ( 0.603 -1.590 -0.169) 1.709 3.539 ( 1.597 -2.629 -0.339) 3.095 3.612 ( 1.251 -2.052 -0.610) 2.479 3.701 ( -0.364 -0.281 3.759) 3.787 3.729 ( -2.358 0.342 2.779) 3.661 3.789 ( 0.244 2.849 -1.092) 3.061 3.900 ( 3.169 -0.963 -0.761) 3.398 3.943 ( -3.260 -1.054 -1.360) 3.686 3.983 ( -0.471 -2.354 -1.101) 2.641 4.122 ( -1.425 4.589 0.798) 4.871 4.153 ( -2.437 1.163 -2.932) 3.986 4.253 ( -0.925 -1.038 -0.193) 1.404 4.308 ( 1.885 -0.973 4.218) 4.721 4.431 ( 0.590 -1.761 -1.326) 2.282 4.554 ( 1.742 6.473 0.597) 6.729 4.613 ( -1.460 0.861 -0.299) 1.720 4.662 ( -3.309 -0.667 -4.088) 5.301 4.794 ( 1.539 0.672 -2.306) 2.853 4.846 ( -1.977 0.015 -0.241) 1.992 4.986 ( 2.343 0.425 0.636) 2.465 5.069 ( -0.135 0.799 0.751) 1.105 5.178 ( -2.128 5.396 -1.073) 5.899 5.393 ( 1.757 0.444 1.309) 2.235 5.500 ( -2.655 -4.375 -0.984) 5.211 5.646 ( -1.063 -1.317 -0.037) 1.693 5.824 ( 0.944 0.722 2.796) 3.038 6.097 ( 3.629 -3.646 -2.298) 5.634 6.181 ( -3.942 1.047 0.664) 4.133 6.270 ( -3.656 1.485 2.047) 4.445 8.546 ( 0.937 6.279 -0.171) 6.351 8.746 ( -0.922 -1.415 -0.250) 1.707 8.894 ( 1.908 7.063 -0.540) 7.336 9.127 ( -0.532 4.714 0.004) 4.744 9.332 ( 1.507 -3.454 0.915) 3.878 9.422 ( -2.178 0.806 -0.770) 2.446 9.848 ( -1.347 1.883 0.169) 2.322 10.417 ( 2.091 -6.471 0.476) 6.817 10.582 ( -1.562 4.035 -0.375) 4.343 10.788 ( 0.111 -2.485 -1.304) 2.808 10.966 ( -1.183 1.136 2.429) 2.931 11.043 ( 1.649 -10.359 -1.290) 10.568 11.259 ( -0.926 -1.557 3.147) 3.631 11.389 ( -1.226 1.783 0.818) 2.313 11.474 ( -1.162 5.124 -1.750) 5.537 11.700 ( 1.089 5.734 -1.747) 6.092 11.782 ( -1.514 1.218 2.218) 2.949 12.303 ( 0.085 1.932 -1.240) 2.297 13.069 ( 1.366 -8.949 -1.687) 9.208 13.161 ( -0.070 -7.715 1.214) 7.810 21.831 ( 0.297 2.718 0.469) 2.774 21.839 ( -0.138 0.149 -0.623) 0.655 22.042 ( -1.375 17.104 0.409) 17.164 22.404 ( 1.163 -0.949 1.398) 2.052 22.465 ( -2.004 5.043 -2.505) 5.977 22.513 ( -0.427 3.178 0.204) 3.213 23.000 ( 0.312 4.316 -0.075) 4.328 23.207 ( 0.659 4.082 0.761) 4.204 23.229 ( 0.383 -2.210 0.430) 2.283 23.499 ( 4.031 -0.721 -0.567) 4.134 23.560 ( -0.300 -1.598 0.541) 1.713 23.940 ( -3.478 -0.275 0.494) 3.524 24.422 ( -0.480 0.583 -0.123) 0.765 24.562 ( -0.524 1.522 -0.133) 1.615 24.937 ( -0.000 -7.494 0.467) 7.509 25.146 ( -0.108 -3.786 -0.465) 3.816 ======================= Grid point 14 (9/90) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.850 ( 0.000 16.083 0.000) 16.083 1.074 ( 0.000 25.824 0.000) 25.824 1.126 ( 0.000 -2.331 0.000) 2.331 1.761 ( 0.000 25.839 0.000) 25.839 1.960 ( 0.000 0.818 0.000) 0.818 2.064 ( 0.000 -1.321 0.000) 1.321 2.149 ( 0.000 3.641 0.000) 3.641 2.303 ( 0.000 4.220 0.000) 4.220 2.488 ( 0.000 4.492 0.000) 4.492 2.531 ( 0.000 9.494 0.000) 9.494 2.649 ( 0.000 1.020 0.000) 1.020 2.787 ( 0.000 10.689 0.000) 10.689 2.834 ( 0.000 10.202 0.000) 10.202 2.869 ( 0.000 -4.504 0.000) 4.504 3.022 ( 0.000 1.086 0.000) 1.086 3.084 ( 0.000 0.021 0.000) 0.021 3.122 ( 0.000 0.945 0.000) 0.945 3.144 ( 0.000 1.851 0.000) 1.851 3.417 ( 0.000 3.941 0.000) 3.941 3.475 ( 0.000 -5.070 0.000) 5.070 3.499 ( 0.000 -0.366 0.000) 0.366 3.558 ( 0.000 2.571 0.000) 2.571 3.659 ( 0.000 6.136 0.000) 6.136 3.803 ( 0.000 2.079 0.000) 2.079 3.821 ( 0.000 4.839 0.000) 4.839 3.854 ( 0.000 1.809 0.000) 1.809 3.952 ( 0.000 -3.734 0.000) 3.734 4.114 ( 0.000 -0.291 0.000) 0.291 4.153 ( 0.000 -2.326 0.000) 2.326 4.226 ( 0.000 0.068 0.000) 0.068 4.265 ( 0.000 1.319 0.000) 1.319 4.296 ( 0.000 1.386 0.000) 1.386 4.523 ( 0.000 -0.008 0.000) 0.008 4.555 ( 0.000 -1.389 0.000) 1.389 4.703 ( 0.000 -2.966 0.000) 2.966 4.738 ( 0.000 -2.974 0.000) 2.974 4.766 ( 0.000 2.044 0.000) 2.044 4.812 ( 0.000 2.159 0.000) 2.159 4.929 ( 0.000 0.404 0.000) 0.404 5.114 ( 0.000 0.795 0.000) 0.795 5.406 ( 0.000 -4.235 0.000) 4.235 5.450 ( 0.000 2.902 0.000) 2.902 5.595 ( 0.000 3.767 0.000) 3.767 5.689 ( 0.000 -0.697 0.000) 0.697 5.775 ( 0.000 1.552 0.000) 1.552 5.846 ( 0.000 -2.695 0.000) 2.695 6.331 ( 0.000 4.380 0.000) 4.380 6.618 ( 0.000 -14.032 0.000) 14.032 8.522 ( 0.000 1.840 0.000) 1.840 8.721 ( 0.000 -5.857 0.000) 5.857 8.860 ( 0.000 2.532 0.000) 2.532 9.204 ( 0.000 -0.335 0.000) 0.335 9.250 ( 0.000 1.486 0.000) 1.486 9.528 ( 0.000 -3.227 0.000) 3.227 10.023 ( 0.000 2.870 0.000) 2.870 10.247 ( 0.000 -0.403 0.000) 0.403 10.754 ( 0.000 1.176 0.000) 1.176 10.755 ( 0.000 3.612 0.000) 3.612 10.892 ( 0.000 -1.381 0.000) 1.381 11.197 ( 0.000 -0.015 0.000) 0.015 11.464 ( 0.000 0.855 0.000) 0.855 11.469 ( 0.000 0.241 0.000) 0.241 11.720 ( 0.000 5.594 0.000) 5.594 11.748 ( 0.000 1.647 0.000) 1.647 12.038 ( 0.000 0.657 0.000) 0.657 12.226 ( 0.000 -4.246 0.000) 4.246 12.429 ( 0.000 1.438 0.000) 1.438 12.955 ( 0.000 -6.874 0.000) 6.874 21.828 ( 0.000 -0.166 0.000) 0.166 21.856 ( 0.000 1.138 0.000) 1.138 22.369 ( 0.000 3.634 0.000) 3.634 22.405 ( 0.000 6.788 0.000) 6.788 22.603 ( 0.000 4.183 0.000) 4.183 22.835 ( 0.000 0.631 0.000) 0.631 23.035 ( 0.000 0.245 0.000) 0.245 23.062 ( 0.000 -4.548 0.000) 4.548 23.365 ( 0.000 0.084 0.000) 0.084 23.407 ( 0.000 -0.454 0.000) 0.454 23.648 ( 0.000 0.174 0.000) 0.174 24.152 ( 0.000 -10.519 0.000) 10.519 24.455 ( 0.000 1.045 0.000) 1.045 24.538 ( 0.000 -1.221 0.000) 1.221 24.951 ( 0.000 3.931 0.000) 3.931 24.972 ( 0.000 0.164 0.000) 0.164 ======================= Grid point 15 (10/90) ======================= q-point: ( 0.14 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.867 ( 7.264 10.928 -3.870) 13.680 1.153 ( 9.613 21.053 -1.291) 23.180 1.373 ( 17.675 3.868 1.843) 18.187 1.808 ( 3.604 20.959 2.080) 21.368 1.972 ( 1.910 3.898 -2.218) 4.875 2.074 ( 1.773 3.856 -2.562) 4.957 2.195 ( 2.585 2.613 1.822) 4.102 2.341 ( 4.583 2.244 4.157) 6.582 2.488 ( -1.522 5.012 1.533) 5.458 2.533 ( 1.451 8.323 -0.534) 8.465 2.651 ( 1.465 4.316 -0.048) 4.558 2.791 ( -0.409 8.142 -0.643) 8.177 2.841 ( 1.031 2.225 0.604) 2.526 2.892 ( 1.505 3.980 -2.769) 5.077 2.987 ( -0.997 -0.133 3.561) 3.700 3.112 ( 0.124 3.805 0.598) 3.854 3.150 ( 4.041 0.590 -1.214) 4.260 3.189 ( 3.830 -0.606 1.187) 4.056 3.375 ( -4.907 4.256 -4.944) 8.163 3.448 ( -1.458 -2.360 -0.667) 2.853 3.513 ( 0.920 0.743 -0.249) 1.208 3.574 ( 2.040 1.500 3.415) 4.251 3.662 ( -0.033 4.402 0.451) 4.425 3.788 ( -2.383 1.855 -0.778) 3.118 3.799 ( -0.036 0.731 1.926) 2.060 3.859 ( -0.357 4.500 0.862) 4.596 3.960 ( 0.465 -4.478 -2.903) 5.357 4.064 ( -2.555 -0.629 -1.406) 2.984 4.156 ( -2.165 -1.775 2.828) 3.979 4.184 ( -3.132 1.557 3.518) 4.961 4.262 ( 0.335 -0.186 -2.493) 2.522 4.312 ( 1.638 0.179 -1.951) 2.554 4.519 ( -1.051 1.390 -2.633) 3.157 4.548 ( -0.409 -1.203 1.340) 1.846 4.672 ( -1.958 -3.725 -0.120) 4.210 4.731 ( -1.268 -0.300 -2.876) 3.158 4.788 ( 1.639 1.451 0.414) 2.228 4.859 ( 3.785 2.902 2.266) 5.280 4.917 ( -0.033 -0.189 0.761) 0.784 5.141 ( 1.183 0.236 1.913) 2.261 5.340 ( -5.371 -4.555 -3.388) 7.815 5.427 ( -1.623 4.566 0.770) 4.907 5.586 ( -3.154 0.119 -1.751) 3.609 5.688 ( 1.374 3.513 0.077) 3.773 5.791 ( 0.782 -1.133 2.739) 3.066 5.860 ( 1.571 -3.001 0.627) 3.445 6.327 ( -0.520 4.149 0.466) 4.207 6.538 ( -7.504 -10.363 -2.370) 13.012 8.549 ( 2.720 2.230 -0.338) 3.534 8.735 ( 1.179 -4.362 -0.861) 4.600 8.873 ( 1.598 2.265 -0.162) 2.776 9.160 ( -1.279 1.355 -2.145) 2.841 9.313 ( 2.932 0.517 0.874) 3.103 9.519 ( -0.893 -2.304 -0.481) 2.517 9.997 ( -2.400 2.919 0.004) 3.779 10.248 ( -0.060 -1.371 0.628) 1.509 10.734 ( -1.702 3.789 0.892) 4.248 10.767 ( 0.759 0.449 -2.840) 2.974 10.879 ( -0.961 -1.607 -1.716) 2.540 11.157 ( -4.238 2.081 5.574) 7.305 11.348 ( -6.394 0.501 1.981) 6.713 11.513 ( -0.799 -0.463 1.205) 1.518 11.657 ( -4.084 4.273 -1.696) 6.149 11.756 ( 0.464 4.286 -0.644) 4.359 11.961 ( -4.466 4.027 4.980) 7.807 12.255 ( 1.834 -4.264 -2.745) 5.392 12.589 ( 12.081 -5.720 -1.762) 13.482 12.960 ( 0.512 -7.318 -0.150) 7.338 21.828 ( 0.030 -0.138 -0.092) 0.169 21.862 ( 0.552 1.126 -0.078) 1.256 22.377 ( 0.678 3.377 0.188) 3.449 22.392 ( -1.235 6.978 0.301) 7.092 22.598 ( -0.502 4.070 0.685) 4.158 22.813 ( -2.566 2.257 -0.895) 3.533 23.059 ( 2.516 1.535 -0.668) 3.022 23.088 ( 2.401 -4.129 0.848) 4.851 23.351 ( -1.758 1.368 2.063) 3.036 23.413 ( 0.511 0.134 0.328) 0.622 23.575 ( -5.448 3.439 -3.201) 7.195 24.085 ( -5.125 -5.869 1.348) 7.907 24.464 ( 0.103 0.205 -0.657) 0.695 24.550 ( 1.271 -1.747 -0.094) 2.163 24.916 ( -3.895 0.226 3.195) 5.043 24.998 ( 2.410 -1.048 -2.727) 3.788 ======================= Grid point 16 (11/90) ======================= q-point: ( 0.29 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( 17.690 6.676 -3.991) 19.324 1.385 ( 14.188 17.122 0.463) 22.241 1.662 ( 12.338 8.517 0.476) 15.000 1.834 ( -0.953 9.206 -0.175) 9.257 2.018 ( 0.398 12.985 -0.667) 13.009 2.121 ( 2.580 6.742 -2.907) 7.782 2.224 ( 1.517 4.181 3.568) 5.702 2.447 ( 1.669 3.082 2.081) 4.076 2.463 ( 2.270 0.485 1.799) 2.937 2.566 ( 2.051 4.180 0.668) 4.704 2.705 ( 2.672 9.390 3.523) 10.379 2.773 ( -0.091 3.603 -2.088) 4.165 2.848 ( -0.192 3.537 0.662) 3.603 2.939 ( 3.618 5.961 -4.752) 8.438 3.003 ( 2.178 0.966 5.396) 5.898 3.121 ( 0.217 3.976 -0.507) 4.014 3.215 ( -0.132 3.502 -2.659) 4.399 3.240 ( 2.557 -1.850 2.339) 3.929 3.293 ( -1.272 2.330 -3.046) 4.040 3.426 ( 0.009 -0.576 -1.255) 1.381 3.520 ( 0.087 1.904 0.680) 2.024 3.596 ( -0.204 2.249 1.504) 2.713 3.684 ( 0.731 -1.437 -1.418) 2.147 3.763 ( -0.838 0.689 0.401) 1.157 3.802 ( 1.604 0.463 -0.252) 1.688 3.854 ( 0.631 3.819 2.291) 4.498 3.958 ( -0.342 -1.616 0.022) 1.652 4.032 ( -4.294 -2.585 -1.899) 5.360 4.090 ( 0.005 -1.440 1.121) 1.825 4.168 ( 0.890 -0.299 3.087) 3.227 4.262 ( -1.378 -0.754 -3.410) 3.754 4.347 ( 2.020 -0.192 0.808) 2.184 4.467 ( -4.133 3.019 -2.739) 5.804 4.552 ( 0.770 -0.271 -0.730) 1.095 4.653 ( 0.203 -1.287 0.476) 1.387 4.687 ( -2.597 -0.426 -1.344) 2.955 4.812 ( 1.025 2.450 -0.652) 2.734 4.918 ( 0.320 0.312 1.025) 1.119 4.946 ( 3.367 2.436 3.138) 5.207 5.100 ( -4.480 -0.713 -0.018) 4.537 5.277 ( -1.265 -2.337 -1.307) 2.962 5.401 ( -1.092 1.635 1.480) 2.461 5.496 ( -5.059 1.034 -4.585) 6.905 5.706 ( -0.520 3.191 0.044) 3.233 5.799 ( 0.341 -1.353 2.126) 2.543 5.901 ( 2.477 -5.182 2.438) 6.240 6.296 ( -4.089 0.482 -0.560) 4.155 6.398 ( -4.977 -0.925 -1.774) 5.364 8.612 ( 3.752 3.041 -0.753) 4.887 8.747 ( -0.077 -0.738 -0.659) 0.992 8.924 ( 3.618 1.012 -0.218) 3.764 9.170 ( 2.040 1.944 -0.583) 2.878 9.330 ( -0.849 1.271 -0.274) 1.552 9.493 ( -1.982 0.373 -0.911) 2.214 9.948 ( -2.606 3.202 -0.015) 4.129 10.249 ( 0.456 -4.211 0.721) 4.296 10.710 ( -0.869 1.690 2.335) 3.011 10.752 ( -2.336 0.667 -5.358) 5.883 10.877 ( 1.143 -1.778 -0.454) 2.161 11.071 ( -4.355 4.212 4.676) 7.653 11.258 ( -3.223 -1.607 3.010) 4.694 11.456 ( -4.010 -0.563 2.082) 4.553 11.602 ( -2.217 3.875 -1.760) 4.799 11.771 ( 1.313 4.528 -2.860) 5.514 11.898 ( -2.952 4.347 4.824) 7.133 12.289 ( 1.853 -2.476 -1.747) 3.551 12.772 ( 7.064 -9.688 -1.491) 12.082 12.970 ( 0.393 -8.356 -0.076) 8.365 21.830 ( 0.086 -0.129 -0.132) 0.203 21.874 ( 0.690 1.143 -0.106) 1.339 22.361 ( -1.589 7.419 0.508) 7.604 22.397 ( 1.032 2.957 0.415) 3.159 22.588 ( -0.497 3.959 0.790) 4.068 22.740 ( -4.701 7.341 -1.686) 8.879 23.104 ( 1.481 2.995 -1.327) 3.595 23.144 ( 3.415 -1.298 1.172) 3.837 23.309 ( -1.884 5.290 3.396) 6.562 23.433 ( 1.932 0.411 -0.397) 2.014 23.518 ( -0.589 0.085 -2.198) 2.277 23.997 ( -4.272 -2.879 0.791) 5.212 24.452 ( -1.060 0.447 -0.259) 1.180 24.577 ( 1.373 -1.412 -0.083) 1.972 24.830 ( -4.783 -2.800 0.632) 5.578 25.035 ( 1.458 -4.102 -0.899) 4.445 ======================= Grid point 17 (12/90) ======================= q-point: ( 0.43 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( 10.506 5.206 -1.551) 11.827 1.642 ( 12.003 12.385 -0.954) 17.273 1.785 ( -3.657 11.095 -0.179) 11.684 1.840 ( 5.940 10.625 1.906) 12.321 1.978 ( -3.197 17.520 -0.906) 17.833 2.093 ( -4.438 3.572 -1.429) 5.873 2.272 ( 3.116 0.480 3.296) 4.562 2.385 ( -5.564 2.644 0.185) 6.163 2.541 ( 4.966 4.923 -0.488) 7.010 2.631 ( 0.749 5.437 -0.256) 5.495 2.705 ( 1.871 3.916 3.490) 5.569 2.784 ( -3.094 4.972 -3.411) 6.777 2.881 ( 4.800 3.729 3.106) 6.826 2.982 ( 0.084 3.370 -3.183) 4.636 3.052 ( 1.884 3.041 3.380) 4.921 3.105 ( -1.533 6.037 -0.299) 6.236 3.163 ( -1.240 3.121 -2.314) 4.078 3.259 ( -2.208 -1.298 0.258) 2.574 3.359 ( 7.037 1.214 -1.293) 7.257 3.465 ( 1.738 -0.124 0.576) 1.835 3.518 ( -0.171 0.720 0.308) 0.801 3.590 ( 0.114 -0.337 -0.067) 0.362 3.677 ( -0.164 -1.704 1.649) 2.377 3.730 ( -1.998 1.056 -0.195) 2.269 3.825 ( -1.358 -3.032 0.387) 3.345 3.880 ( 0.114 3.724 0.210) 3.732 3.932 ( -0.931 -0.411 -1.282) 1.637 3.957 ( -0.851 0.059 -1.162) 1.442 4.158 ( 3.755 -1.650 0.283) 4.112 4.189 ( 0.348 -0.228 2.254) 2.292 4.237 ( 0.394 -0.322 -1.067) 1.182 4.366 ( 0.085 3.542 -0.040) 3.543 4.392 ( -2.997 0.630 -0.688) 3.139 4.562 ( 0.009 0.373 -1.224) 1.280 4.627 ( -1.601 -1.460 -1.276) 2.515 4.709 ( 3.273 -2.098 1.657) 4.226 4.821 ( -0.080 4.238 0.223) 4.245 4.858 ( -4.479 1.645 -0.616) 4.811 5.008 ( 2.138 0.998 0.071) 2.361 5.062 ( 0.009 -1.311 2.061) 2.442 5.258 ( -0.648 0.489 -0.417) 0.912 5.368 ( -2.347 -3.006 -0.398) 3.834 5.440 ( -0.487 2.871 -1.739) 3.392 5.675 ( -1.754 2.867 -0.590) 3.412 5.807 ( 0.227 -1.314 0.734) 1.522 5.947 ( 1.931 -7.968 2.288) 8.512 6.196 ( -4.075 0.225 -1.434) 4.325 6.365 ( -0.250 4.350 -0.091) 4.358 8.679 ( 3.271 3.727 -0.928) 5.045 8.729 ( -1.872 1.601 0.385) 2.493 8.986 ( 2.292 0.032 -0.053) 2.293 9.210 ( 1.406 2.595 0.071) 2.952 9.308 ( -0.760 2.014 -0.395) 2.189 9.453 ( -1.661 1.982 -0.379) 2.613 9.910 ( -1.206 3.705 -0.117) 3.898 10.264 ( 0.714 -7.236 0.343) 7.280 10.686 ( -1.570 4.842 0.734) 5.143 10.715 ( -0.725 -3.080 -1.754) 3.618 10.906 ( 1.280 -2.467 0.005) 2.780 11.015 ( -1.677 3.525 1.066) 4.046 11.224 ( -0.842 -2.357 1.473) 2.904 11.399 ( -1.782 -0.634 1.125) 2.200 11.569 ( -1.066 3.938 -0.780) 4.154 11.799 ( 1.555 3.872 -3.174) 5.243 11.852 ( -2.045 4.963 3.679) 6.507 12.316 ( 0.841 -1.493 -0.550) 1.799 12.855 ( 2.165 -9.731 -0.651) 9.990 12.973 ( -0.008 -9.217 0.049) 9.217 21.831 ( 0.050 -0.146 -0.063) 0.167 21.884 ( 0.318 1.157 -0.053) 1.202 22.338 ( -0.708 8.390 0.298) 8.425 22.413 ( 0.554 2.037 0.255) 2.126 22.584 ( -0.019 3.783 0.441) 3.809 22.665 ( -2.535 11.330 -1.015) 11.654 23.114 ( 0.068 2.699 -0.503) 2.746 23.199 ( 1.857 3.606 0.456) 4.081 23.292 ( -0.428 3.419 1.223) 3.656 23.480 ( 2.363 -1.092 -0.482) 2.648 23.519 ( -0.001 -1.987 -0.033) 1.987 23.931 ( -2.340 -0.801 0.067) 2.474 24.435 ( -0.583 0.453 -0.037) 0.739 24.594 ( 0.428 0.117 -0.010) 0.444 24.763 ( -1.966 -6.245 -0.005) 6.547 25.051 ( 0.395 -4.740 -0.284) 4.765 ======================= Grid point 21 (13/90) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( 0.000 5.872 0.000) 5.872 1.105 ( 0.000 0.440 0.000) 0.440 1.579 ( 0.000 19.865 0.000) 19.865 1.981 ( 0.000 4.742 0.000) 4.742 1.982 ( 0.000 -1.687 0.000) 1.687 2.149 ( 0.000 7.522 0.000) 7.522 2.220 ( 0.000 2.004 0.000) 2.004 2.464 ( 0.000 5.673 0.000) 5.673 2.551 ( 0.000 1.491 0.000) 1.491 2.569 ( 0.000 -5.525 0.000) 5.525 2.703 ( 0.000 5.206 0.000) 5.206 2.810 ( 0.000 1.519 0.000) 1.519 2.811 ( 0.000 -0.616 0.000) 0.616 2.947 ( 0.000 -3.923 0.000) 3.923 3.042 ( 0.000 1.733 0.000) 1.733 3.053 ( 0.000 -1.540 0.000) 1.540 3.220 ( 0.000 2.101 0.000) 2.101 3.232 ( 0.000 5.597 0.000) 5.597 3.397 ( 0.000 -0.838 0.000) 0.838 3.411 ( 0.000 -5.693 0.000) 5.693 3.537 ( 0.000 3.276 0.000) 3.276 3.654 ( 0.000 3.030 0.000) 3.030 3.763 ( 0.000 4.790 0.000) 4.790 3.829 ( 0.000 -0.961 0.000) 0.961 3.889 ( 0.000 0.190 0.000) 0.190 3.919 ( 0.000 3.663 0.000) 3.663 3.992 ( 0.000 7.653 0.000) 7.653 4.088 ( 0.000 -2.958 0.000) 2.958 4.130 ( 0.000 3.782 0.000) 3.782 4.234 ( 0.000 0.161 0.000) 0.161 4.257 ( 0.000 -1.014 0.000) 1.014 4.358 ( 0.000 2.026 0.000) 2.026 4.526 ( 0.000 -0.305 0.000) 0.305 4.541 ( 0.000 -0.553 0.000) 0.553 4.646 ( 0.000 -1.043 0.000) 1.043 4.678 ( 0.000 0.680 0.000) 0.680 4.825 ( 0.000 0.689 0.000) 0.689 4.836 ( 0.000 0.441 0.000) 0.441 4.978 ( 0.000 4.362 0.000) 4.362 5.155 ( 0.000 1.516 0.000) 1.516 5.281 ( 0.000 -2.516 0.000) 2.516 5.478 ( 0.000 -10.052 0.000) 10.052 5.564 ( 0.000 5.055 0.000) 5.055 5.691 ( 0.000 1.845 0.000) 1.845 5.819 ( 0.000 2.468 0.000) 2.468 5.978 ( 0.000 7.268 0.000) 7.268 6.290 ( 0.000 -14.014 0.000) 14.014 6.367 ( 0.000 -1.547 0.000) 1.547 8.546 ( 0.000 0.595 0.000) 0.595 8.616 ( 0.000 -3.775 0.000) 3.775 8.948 ( 0.000 5.282 0.000) 5.282 9.161 ( 0.000 -3.575 0.000) 3.575 9.285 ( 0.000 2.132 0.000) 2.132 9.442 ( 0.000 -4.561 0.000) 4.561 10.105 ( 0.000 4.367 0.000) 4.367 10.232 ( 0.000 -1.191 0.000) 1.191 10.774 ( 0.000 0.695 0.000) 0.695 10.796 ( 0.000 -0.119 0.000) 0.119 10.944 ( 0.000 6.109 0.000) 6.109 11.181 ( 0.000 -2.260 0.000) 2.260 11.444 ( 0.000 -1.339 0.000) 1.339 11.462 ( 0.000 -0.783 0.000) 0.783 11.797 ( 0.000 2.517 0.000) 2.517 11.824 ( 0.000 3.532 0.000) 3.532 12.049 ( 0.000 0.143 0.000) 0.143 12.109 ( 0.000 -5.245 0.000) 5.245 12.511 ( 0.000 5.500 0.000) 5.500 12.799 ( 0.000 -7.513 0.000) 7.513 21.832 ( 0.000 0.487 0.000) 0.487 21.862 ( 0.000 -0.417 0.000) 0.417 22.467 ( 0.000 5.052 0.000) 5.052 22.525 ( 0.000 3.920 0.000) 3.920 22.685 ( 0.000 3.246 0.000) 3.246 22.822 ( 0.000 -2.587 0.000) 2.587 22.993 ( 0.000 -1.026 0.000) 1.026 23.029 ( 0.000 -0.747 0.000) 0.747 23.370 ( 0.000 0.406 0.000) 0.406 23.396 ( 0.000 -0.607 0.000) 0.607 23.672 ( 0.000 2.500 0.000) 2.500 23.935 ( 0.000 -9.450 0.000) 9.450 24.477 ( 0.000 0.970 0.000) 0.970 24.515 ( 0.000 -0.965 0.000) 0.965 24.988 ( 0.000 1.229 0.000) 1.229 25.008 ( 0.000 1.365 0.000) 1.365 ======================= Grid point 22 (14/90) ======================= q-point: ( 0.14 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( 7.204 9.246 -0.603) 11.737 1.356 ( 16.843 -1.104 -3.802) 17.302 1.641 ( 6.480 17.154 0.540) 18.345 1.952 ( -0.201 3.359 -2.331) 4.093 2.064 ( 5.348 0.725 -1.845) 5.704 2.195 ( 4.547 7.148 0.241) 8.475 2.252 ( 2.657 1.444 2.975) 4.242 2.480 ( 1.079 5.776 2.388) 6.343 2.555 ( 1.532 -0.613 -0.604) 1.757 2.633 ( 2.043 -0.731 -0.273) 2.187 2.663 ( 0.466 1.074 -0.984) 1.530 2.817 ( 1.872 2.534 1.972) 3.717 2.863 ( 3.054 1.590 -2.165) 4.067 2.952 ( -0.254 -1.851 0.454) 1.922 3.010 ( -1.354 1.630 3.116) 3.768 3.094 ( 2.342 -2.261 1.341) 3.520 3.202 ( 0.701 3.169 0.506) 3.284 3.256 ( 0.646 2.117 1.051) 2.451 3.381 ( -0.061 -3.398 1.045) 3.555 3.449 ( 2.271 -2.234 -0.129) 3.188 3.569 ( 2.257 2.865 -2.995) 4.719 3.630 ( -0.689 6.398 1.276) 6.560 3.793 ( 0.633 5.549 1.547) 5.796 3.801 ( -2.165 -1.007 -3.971) 4.634 3.838 ( -5.273 0.149 -4.885) 7.189 3.895 ( 0.092 1.554 3.901) 4.200 3.982 ( -1.084 4.659 1.835) 5.123 4.055 ( -3.325 1.142 -1.157) 3.701 4.135 ( -1.628 0.071 3.859) 4.189 4.200 ( -1.225 -0.565 4.163) 4.376 4.248 ( -1.877 0.612 -8.300) 8.532 4.323 ( -2.179 0.480 -1.643) 2.770 4.534 ( 0.665 -0.081 1.145) 1.327 4.568 ( 1.094 1.778 1.853) 2.791 4.611 ( -0.618 -1.399 -0.084) 1.532 4.705 ( 0.564 -0.990 0.300) 1.178 4.814 ( 0.203 2.088 0.303) 2.119 4.873 ( 3.043 -0.439 -0.534) 3.121 5.009 ( 2.044 5.982 3.871) 7.412 5.163 ( 0.617 0.298 -0.797) 1.051 5.226 ( -5.148 -2.407 -5.417) 7.851 5.421 ( -4.133 -7.973 0.692) 9.007 5.583 ( 0.526 3.659 -1.089) 3.853 5.710 ( 1.789 0.673 0.753) 2.054 5.803 ( -1.557 2.271 0.979) 2.922 5.963 ( -1.843 5.562 1.459) 6.039 6.262 ( -2.418 -9.983 -1.403) 10.367 6.376 ( 0.719 -2.370 0.087) 2.478 8.576 ( 2.975 0.594 -0.265) 3.045 8.646 ( 2.988 -3.543 -0.199) 4.639 8.960 ( 1.105 5.449 0.211) 5.564 9.161 ( 0.636 -1.910 -1.273) 2.382 9.315 ( 2.296 0.746 -0.014) 2.414 9.449 ( 0.898 -4.071 -0.850) 4.255 10.078 ( -2.633 4.291 -0.297) 5.044 10.217 ( -1.671 -1.808 0.037) 2.462 10.769 ( -1.076 0.933 -0.757) 1.613 10.797 ( 0.095 0.065 -1.463) 1.468 10.918 ( -2.024 5.639 0.530) 6.014 11.161 ( -1.900 -2.366 1.456) 3.366 11.361 ( -6.131 1.290 3.362) 7.110 11.472 ( -1.556 -2.740 1.332) 3.421 11.747 ( -3.222 4.242 -1.769) 5.613 11.841 ( 0.593 2.604 -0.677) 2.755 12.021 ( -2.084 1.634 3.401) 4.310 12.147 ( 3.088 -4.960 -1.649) 6.071 12.559 ( 4.388 2.125 -1.430) 5.081 12.799 ( -0.006 -7.547 0.061) 7.547 21.833 ( 0.080 0.528 -0.184) 0.565 21.866 ( 0.414 -0.517 -0.145) 0.678 22.464 ( -0.254 4.508 0.396) 4.532 22.511 ( -1.319 3.727 -0.417) 3.975 22.678 ( -0.588 3.313 0.403) 3.389 22.820 ( -0.249 -2.134 0.554) 2.219 23.030 ( 3.441 -0.401 0.471) 3.496 23.073 ( 4.492 -0.238 -0.301) 4.508 23.371 ( 0.203 0.757 1.091) 1.344 23.404 ( 0.795 -0.710 0.177) 1.080 23.647 ( -2.528 3.887 -0.763) 4.699 23.922 ( -1.204 -8.398 0.008) 8.484 24.475 ( -0.293 0.864 -0.953) 1.319 24.523 ( 0.630 -1.123 -0.424) 1.355 24.941 ( -4.644 1.656 1.094) 5.050 24.990 ( -1.605 -0.181 -0.867) 1.833 ======================= Grid point 23 (15/90) ======================= q-point: ( 0.29 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.306 ( 14.681 10.318 -2.556) 18.125 1.644 ( 12.767 0.361 -2.556) 13.026 1.801 ( 9.261 10.165 -0.696) 13.769 1.980 ( 4.076 6.483 -2.243) 7.979 2.146 ( 2.618 0.084 -2.423) 3.568 2.265 ( 0.783 1.743 1.661) 2.532 2.312 ( 4.249 7.897 2.548) 9.323 2.495 ( 0.122 1.889 2.907) 3.469 2.561 ( -1.315 1.960 -1.958) 3.066 2.636 ( 2.864 5.779 -0.071) 6.450 2.745 ( 2.554 -3.609 -0.337) 4.434 2.858 ( 0.813 2.940 3.130) 4.371 2.898 ( 1.367 1.818 0.740) 2.392 2.964 ( 2.863 1.857 1.992) 3.951 3.014 ( 1.771 -0.387 0.280) 1.834 3.123 ( 0.579 -1.701 1.713) 2.482 3.240 ( 1.528 2.085 0.405) 2.617 3.272 ( 2.308 0.114 -0.015) 2.310 3.390 ( 0.542 -1.341 1.160) 1.854 3.472 ( -0.039 1.191 -1.141) 1.650 3.583 ( 0.352 2.053 -0.412) 2.123 3.642 ( -0.922 5.406 -3.147) 6.323 3.731 ( -2.498 4.820 -0.331) 5.440 3.757 ( -0.959 -1.792 0.077) 2.034 3.823 ( 0.661 1.120 -2.283) 2.627 3.906 ( -0.168 2.016 2.369) 3.115 3.960 ( -1.833 2.266 -2.367) 3.754 3.993 ( -1.888 -0.593 2.721) 3.365 4.088 ( -2.252 0.760 2.195) 3.235 4.155 ( -1.631 -1.333 2.653) 3.388 4.232 ( -0.495 -0.584 -5.420) 5.474 4.314 ( 1.298 -1.730 0.597) 2.244 4.518 ( -2.091 0.613 -1.339) 2.557 4.588 ( 1.317 2.832 3.090) 4.393 4.619 ( -0.246 -0.679 -1.577) 1.734 4.691 ( -1.613 -0.725 0.255) 1.787 4.838 ( 1.434 1.678 1.571) 2.709 4.929 ( 2.426 0.721 -0.323) 2.551 5.018 ( -1.300 3.862 0.265) 4.083 5.105 ( -5.000 1.443 -2.108) 5.615 5.197 ( 1.987 -3.089 -0.999) 3.806 5.359 ( -2.552 -5.911 1.078) 6.528 5.573 ( -1.127 5.144 -2.468) 5.815 5.740 ( 0.704 -1.313 -1.768) 2.312 5.771 ( -1.335 1.413 2.188) 2.926 5.906 ( -4.270 1.151 2.841) 5.256 6.219 ( -1.720 -2.875 -1.319) 3.600 6.388 ( 0.578 -2.148 0.064) 2.225 8.641 ( 3.605 0.545 -0.614) 3.697 8.714 ( 3.837 -2.625 0.012) 4.648 8.983 ( 1.291 5.204 0.122) 5.363 9.190 ( 2.030 -1.476 -0.769) 2.625 9.347 ( 1.307 1.529 -0.527) 2.079 9.474 ( 1.406 -2.344 -1.164) 2.971 10.023 ( -2.793 3.732 -0.290) 4.670 10.173 ( -2.790 -3.250 -0.191) 4.287 10.731 ( -2.358 1.903 -0.209) 3.038 10.787 ( -1.144 0.367 -2.013) 2.344 10.897 ( -0.100 3.741 0.771) 3.821 11.122 ( -2.171 -2.172 0.575) 3.124 11.246 ( -5.754 2.557 3.939) 7.427 11.415 ( -3.733 -2.958 1.901) 5.128 11.697 ( -2.025 5.225 -0.571) 5.633 11.846 ( 0.073 1.278 -1.983) 2.360 11.992 ( -1.002 4.671 3.074) 5.681 12.202 ( 2.637 -5.058 -1.111) 5.812 12.642 ( 4.011 -2.413 -1.368) 4.877 12.798 ( -0.236 -7.569 0.071) 7.573 21.834 ( 0.118 0.606 -0.235) 0.661 21.876 ( 0.510 -0.746 -0.182) 0.922 22.458 ( -0.415 3.613 0.502) 3.672 22.485 ( -1.178 3.263 -0.433) 3.496 22.668 ( -0.497 3.538 0.492) 3.606 22.814 ( -0.459 -0.802 0.702) 1.161 23.094 ( 2.826 1.166 -0.083) 3.058 23.181 ( 6.484 0.427 -0.059) 6.498 23.383 ( 1.031 1.679 2.084) 2.868 23.428 ( 1.774 -0.914 0.021) 1.995 23.586 ( -3.736 6.201 -1.059) 7.317 23.899 ( -1.181 -6.399 -0.176) 6.509 24.460 ( -1.298 0.533 -0.694) 1.565 24.528 ( -0.249 -2.438 -0.942) 2.626 24.839 ( -5.468 2.582 0.468) 6.065 24.964 ( -0.947 -2.835 -0.232) 2.998 ======================= Grid point 24 (16/90) ======================= q-point: ( 0.43 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( 8.425 7.975 -1.549) 11.704 1.793 ( 3.021 -1.007 -0.405) 3.210 1.938 ( 5.424 10.324 -2.168) 11.862 2.102 ( 5.303 4.154 -0.217) 6.740 2.139 ( -0.529 3.879 -0.308) 3.927 2.249 ( -2.413 0.361 0.624) 2.519 2.372 ( 1.690 14.295 0.907) 14.423 2.456 ( -3.071 4.281 1.173) 5.398 2.573 ( 1.746 -0.769 -0.164) 1.915 2.705 ( 3.712 3.070 -2.790) 5.566 2.752 ( -0.057 1.305 1.676) 2.125 2.815 ( -4.049 0.418 3.116) 5.126 2.943 ( 1.602 -0.321 1.093) 1.966 3.019 ( 1.885 2.198 -1.212) 3.139 3.054 ( 1.444 -4.070 0.759) 4.385 3.127 ( -0.058 2.624 1.373) 2.962 3.262 ( 0.831 1.344 -0.885) 1.812 3.308 ( 1.289 0.289 0.230) 1.340 3.415 ( 2.402 1.932 0.079) 3.084 3.462 ( -1.454 -0.283 -0.502) 1.565 3.563 ( -1.464 -0.066 -0.052) 1.466 3.613 ( -0.983 5.500 -2.037) 5.947 3.717 ( -0.226 3.317 1.092) 3.499 3.759 ( 1.875 2.673 2.209) 3.942 3.842 ( -1.397 1.563 -4.182) 4.678 3.880 ( -2.034 -2.373 -0.596) 3.182 3.916 ( -0.390 1.358 1.663) 2.183 3.959 ( -1.013 -1.330 -0.575) 1.768 4.125 ( 3.012 -1.178 4.795) 5.783 4.157 ( 1.092 -0.300 0.025) 1.133 4.234 ( 1.547 -0.391 -3.434) 3.787 4.330 ( -0.762 -2.848 0.796) 3.054 4.487 ( 0.008 2.126 0.169) 2.132 4.558 ( -4.592 -3.162 -2.272) 6.021 4.617 ( 0.879 3.392 1.668) 3.881 4.679 ( 0.202 -0.133 0.158) 0.289 4.830 ( -1.918 2.110 0.426) 2.883 4.946 ( 0.398 2.045 -1.244) 2.427 5.016 ( 1.304 0.578 -2.265) 2.677 5.049 ( -1.711 0.283 1.539) 2.319 5.247 ( 3.190 -0.695 4.031) 5.188 5.312 ( -2.880 -2.114 -2.825) 4.555 5.555 ( -0.475 5.592 -1.214) 5.742 5.719 ( -1.389 0.715 -0.764) 1.739 5.780 ( 1.292 -1.991 -2.037) 3.128 5.829 ( -3.326 -2.897 4.041) 5.982 6.200 ( -0.430 1.813 -0.447) 1.916 6.396 ( 0.237 -1.796 0.014) 1.812 8.694 ( 1.677 0.416 -0.459) 1.788 8.769 ( 1.674 -1.187 0.193) 2.061 9.004 ( 0.792 4.112 0.072) 4.188 9.212 ( 0.285 -2.534 -0.269) 2.564 9.378 ( 1.735 3.828 -0.270) 4.212 9.484 ( -0.208 0.221 -0.522) 0.604 9.986 ( -1.059 3.110 -0.150) 3.288 10.128 ( -1.517 -5.221 -0.160) 5.439 10.700 ( -0.836 1.980 0.093) 2.151 10.764 ( -0.885 1.598 -0.723) 1.965 10.904 ( 0.456 1.899 0.355) 1.985 11.080 ( -1.909 -1.067 -0.592) 2.266 11.176 ( -1.649 1.407 1.993) 2.945 11.362 ( -1.603 -2.844 0.958) 3.402 11.671 ( -0.757 5.819 -0.044) 5.869 11.844 ( -0.055 0.056 -0.933) 0.936 11.984 ( -0.168 6.800 1.185) 6.905 12.237 ( 1.002 -5.292 -0.386) 5.400 12.696 ( 1.641 -4.623 -0.564) 4.938 12.791 ( -0.310 -7.499 0.060) 7.506 21.836 ( 0.058 0.658 -0.106) 0.669 21.883 ( 0.226 -0.937 -0.082) 0.968 22.451 ( -0.299 3.408 0.186) 3.426 22.471 ( -0.313 2.559 -0.131) 2.581 22.662 ( -0.177 3.706 0.215) 3.717 22.806 ( -0.282 0.616 0.318) 0.748 23.126 ( 0.730 2.600 -0.167) 2.705 23.286 ( 3.735 -0.820 -0.183) 3.829 23.409 ( 1.739 5.022 1.842) 5.625 23.457 ( 0.257 -0.868 -0.243) 0.938 23.521 ( -2.308 5.806 -0.794) 6.298 23.881 ( -0.568 -4.563 -0.172) 4.602 24.438 ( -0.667 -0.064 0.063) 0.673 24.512 ( -1.047 -4.981 -0.771) 5.148 24.766 ( -1.972 4.081 0.128) 4.535 24.955 ( -0.136 -4.314 -0.024) 4.317 ======================= Grid point 28 (17/90) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( 0.000 -0.807 0.000) 0.807 1.127 ( 0.000 0.807 0.000) 0.807 1.865 ( 0.000 -8.385 0.000) 8.385 1.865 ( 0.000 8.385 0.000) 8.385 2.167 ( 0.000 -8.419 0.000) 8.419 2.167 ( 0.000 8.419 0.000) 8.419 2.335 ( 0.000 -9.504 0.000) 9.504 2.335 ( 0.000 9.504 0.000) 9.504 2.560 ( 0.000 -0.561 0.000) 0.561 2.560 ( 0.000 0.561 0.000) 0.561 2.806 ( 0.000 -2.855 0.000) 2.855 2.806 ( 0.000 2.855 0.000) 2.855 2.838 ( 0.000 -1.647 0.000) 1.647 2.838 ( 0.000 1.647 0.000) 1.647 3.061 ( 0.000 -0.617 0.000) 0.617 3.061 ( 0.000 0.617 0.000) 0.617 3.262 ( 0.000 -2.656 0.000) 2.656 3.262 ( 0.000 2.656 0.000) 2.656 3.354 ( 0.000 -2.749 0.000) 2.749 3.354 ( 0.000 2.749 0.000) 2.749 3.621 ( 0.000 -4.839 0.000) 4.839 3.621 ( 0.000 4.839 0.000) 4.839 3.808 ( 0.000 -0.257 0.000) 0.257 3.808 ( 0.000 0.257 0.000) 0.257 3.950 ( 0.000 -2.445 0.000) 2.445 3.950 ( 0.000 2.445 0.000) 2.445 4.057 ( 0.000 -0.279 0.000) 0.279 4.057 ( 0.000 0.279 0.000) 0.279 4.209 ( 0.000 -3.018 0.000) 3.018 4.209 ( 0.000 3.018 0.000) 3.018 4.324 ( 0.000 -5.911 0.000) 5.911 4.324 ( 0.000 5.911 0.000) 5.911 4.519 ( 0.000 -0.543 0.000) 0.543 4.519 ( 0.000 0.543 0.000) 0.543 4.668 ( 0.000 -2.020 0.000) 2.020 4.668 ( 0.000 2.020 0.000) 2.020 4.840 ( 0.000 -0.251 0.000) 0.251 4.840 ( 0.000 0.251 0.000) 0.251 5.101 ( 0.000 -6.561 0.000) 6.561 5.101 ( 0.000 6.561 0.000) 6.561 5.326 ( 0.000 -4.558 0.000) 4.558 5.326 ( 0.000 4.558 0.000) 4.558 5.670 ( 0.000 -4.315 0.000) 4.315 5.670 ( 0.000 4.315 0.000) 4.315 5.905 ( 0.000 -7.263 0.000) 7.263 5.905 ( 0.000 7.263 0.000) 7.263 6.269 ( 0.000 -6.707 0.000) 6.707 6.269 ( 0.000 6.707 0.000) 6.707 8.563 ( 0.000 -1.383 0.000) 1.383 8.563 ( 0.000 1.383 0.000) 1.383 9.064 ( 0.000 -5.278 0.000) 5.278 9.064 ( 0.000 5.278 0.000) 5.278 9.349 ( 0.000 -3.891 0.000) 3.891 9.349 ( 0.000 3.891 0.000) 3.891 10.188 ( 0.000 -3.082 0.000) 3.082 10.188 ( 0.000 3.082 0.000) 3.082 10.786 ( 0.000 -0.535 0.000) 0.535 10.786 ( 0.000 0.535 0.000) 0.535 11.086 ( 0.000 -6.296 0.000) 6.296 11.086 ( 0.000 6.296 0.000) 6.296 11.441 ( 0.000 -0.865 0.000) 0.865 11.441 ( 0.000 0.865 0.000) 0.865 11.845 ( 0.000 -1.450 0.000) 1.450 11.845 ( 0.000 1.450 0.000) 1.450 12.048 ( 0.000 -0.497 0.000) 0.497 12.048 ( 0.000 0.497 0.000) 0.497 12.645 ( 0.000 -6.901 0.000) 6.901 12.645 ( 0.000 6.901 0.000) 6.901 21.847 ( 0.000 -0.850 0.000) 0.850 21.847 ( 0.000 0.850 0.000) 0.850 22.550 ( 0.000 -1.823 0.000) 1.823 22.550 ( 0.000 1.823 0.000) 1.823 22.748 ( 0.000 -3.288 0.000) 3.288 22.748 ( 0.000 3.288 0.000) 3.288 23.006 ( 0.000 -1.318 0.000) 1.318 23.006 ( 0.000 1.318 0.000) 1.318 23.382 ( 0.000 -0.697 0.000) 0.697 23.382 ( 0.000 0.697 0.000) 0.697 23.765 ( 0.000 -6.315 0.000) 6.315 23.765 ( 0.000 6.315 0.000) 6.315 24.496 ( 0.000 -0.835 0.000) 0.835 24.496 ( 0.000 0.835 0.000) 0.835 25.012 ( 0.000 -0.759 0.000) 0.759 25.012 ( 0.000 0.759 0.000) 0.759 ======================= Grid point 30 (18/90) ======================= q-point: ( 0.14 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( 12.582 -7.055 -0.871) 14.451 1.257 ( 12.582 7.055 -0.871) 14.451 1.901 ( 3.825 -7.795 -2.668) 9.084 1.901 ( 3.825 7.795 -2.668) 9.084 2.182 ( 1.293 -7.300 -0.536) 7.433 2.182 ( 1.293 7.300 -0.536) 7.433 2.391 ( 5.403 -9.165 -1.741) 10.780 2.391 ( 5.403 9.165 -1.741) 10.780 2.574 ( 0.985 -2.715 2.648) 3.918 2.574 ( 0.985 2.715 2.648) 3.918 2.771 ( -0.460 -5.560 -0.541) 5.605 2.771 ( -0.460 5.560 -0.541) 5.605 2.918 ( 5.090 -4.272 2.638) 7.149 2.918 ( 5.090 4.272 2.638) 7.149 3.056 ( -0.548 -2.679 1.962) 3.366 3.056 ( -0.548 2.679 1.962) 3.366 3.251 ( -0.354 -2.313 0.651) 2.429 3.251 ( -0.354 2.313 0.651) 2.429 3.366 ( 0.890 -4.691 0.561) 4.807 3.366 ( 0.890 4.691 0.561) 4.807 3.654 ( 2.902 -4.414 -2.318) 5.769 3.654 ( 2.902 4.414 -2.318) 5.769 3.786 ( -2.221 -2.189 -0.901) 3.246 3.786 ( -2.221 2.189 -0.901) 3.246 3.920 ( -2.863 -2.814 -0.164) 4.017 3.920 ( -2.863 2.814 -0.164) 4.017 4.036 ( -1.813 -3.911 3.298) 5.428 4.036 ( -1.813 3.911 3.298) 5.428 4.182 ( -2.285 -3.195 -1.160) 4.095 4.182 ( -2.285 3.195 -1.160) 4.095 4.296 ( -2.652 -4.110 -2.149) 5.343 4.296 ( -2.652 4.110 -2.149) 5.343 4.552 ( 2.091 -2.292 1.689) 3.532 4.552 ( 2.091 2.292 1.689) 3.532 4.647 ( -1.066 -3.984 -1.331) 4.334 4.647 ( -1.066 3.984 -1.331) 4.334 4.867 ( 2.378 -1.301 1.402) 3.052 4.867 ( 2.378 1.301 1.402) 3.052 5.121 ( 1.531 -4.853 0.503) 5.113 5.121 ( 1.531 4.853 0.503) 5.113 5.267 ( -5.146 -4.627 -2.481) 7.352 5.267 ( -5.146 4.627 -2.481) 7.352 5.683 ( 0.844 -4.112 -0.556) 4.235 5.683 ( 0.844 4.112 -0.556) 4.235 5.885 ( -2.154 -6.721 1.124) 7.147 5.885 ( -2.154 6.721 1.124) 7.147 6.274 ( 0.527 -6.627 0.348) 6.657 6.274 ( 0.527 6.627 0.348) 6.657 8.593 ( 3.064 -1.440 -0.070) 3.386 8.593 ( 3.064 1.440 -0.070) 3.386 9.079 ( 1.446 -5.271 -0.101) 5.467 9.079 ( 1.446 5.271 -0.101) 5.467 9.363 ( 1.590 -3.547 -0.933) 3.998 9.363 ( 1.590 3.547 -0.933) 3.998 10.162 ( -2.570 -3.360 -0.182) 4.234 10.162 ( -2.570 3.360 -0.182) 4.234 10.786 ( -0.190 -0.720 -0.941) 1.199 10.786 ( -0.190 0.720 -0.941) 1.199 11.059 ( -2.541 -6.566 0.664) 7.072 11.059 ( -2.541 6.566 0.664) 7.072 11.410 ( -3.261 -2.942 2.404) 5.007 11.410 ( -3.261 2.942 2.404) 5.007 11.831 ( -1.251 -3.148 -0.914) 3.509 11.831 ( -1.251 3.148 -0.914) 3.509 12.064 ( 1.522 -2.956 0.098) 3.326 12.064 ( 1.522 2.956 0.098) 3.326 12.652 ( 0.680 -6.057 -0.292) 6.102 12.652 ( 0.680 6.057 -0.292) 6.102 21.849 ( 0.211 -0.934 -0.204) 0.979 21.849 ( 0.211 0.934 -0.204) 0.979 22.537 ( -1.289 -1.461 -0.040) 1.949 22.537 ( -1.289 1.461 -0.040) 1.949 22.748 ( -0.044 -3.599 0.567) 3.643 22.748 ( -0.044 3.599 0.567) 3.643 23.053 ( 4.555 -1.548 0.132) 4.813 23.053 ( 4.555 1.548 0.132) 4.813 23.387 ( 0.584 -0.825 0.398) 1.086 23.387 ( 0.584 0.825 0.398) 1.086 23.758 ( -0.707 -6.651 -0.134) 6.689 23.758 ( -0.707 6.651 -0.134) 6.689 24.498 ( 0.004 -1.201 -0.810) 1.448 24.498 ( 0.004 1.201 -0.810) 1.448 24.975 ( -3.603 -1.319 0.125) 3.839 24.975 ( -3.603 1.319 0.125) 3.839 ======================= Grid point 32 (19/90) ======================= q-point: ( 0.29 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( 13.812 -9.051 -1.295) 16.564 1.521 ( 13.812 9.051 -1.295) 16.564 1.993 ( 5.638 -5.841 -3.749) 8.942 1.993 ( 5.638 5.841 -3.749) 8.942 2.205 ( 1.081 -5.245 -0.550) 5.384 2.205 ( 1.081 5.245 -0.550) 5.384 2.489 ( 3.619 -4.788 -3.354) 6.875 2.489 ( 3.619 4.788 -3.354) 6.875 2.599 ( 2.630 -6.963 4.329) 8.611 2.599 ( 2.630 6.963 4.329) 8.611 2.794 ( 1.816 -5.871 1.357) 6.293 2.794 ( 1.816 5.871 1.357) 6.293 2.966 ( -1.289 -3.731 3.879) 5.534 2.966 ( -1.289 3.731 3.879) 5.534 3.079 ( 3.887 -4.840 1.736) 6.446 3.079 ( 3.887 4.840 1.736) 6.446 3.258 ( 0.665 -1.588 0.104) 1.724 3.258 ( 0.665 1.588 0.104) 1.724 3.394 ( 2.420 -5.068 -0.529) 5.641 3.394 ( 2.420 5.068 -0.529) 5.641 3.669 ( -2.869 -4.895 -2.003) 6.017 3.669 ( -2.869 4.895 -2.003) 6.017 3.752 ( 0.105 -3.003 -0.097) 3.006 3.752 ( 0.105 3.003 -0.097) 3.006 3.878 ( -1.160 -3.144 -0.561) 3.398 3.878 ( -1.160 3.144 -0.561) 3.398 4.014 ( -0.763 -1.291 2.608) 3.008 4.014 ( -0.763 1.291 2.608) 3.008 4.113 ( -4.049 -3.464 -1.092) 5.440 4.113 ( -4.049 3.464 -1.092) 5.440 4.264 ( -0.318 -3.269 -0.766) 3.372 4.264 ( -0.318 3.269 -0.766) 3.372 4.556 ( -1.531 -3.625 -1.968) 4.400 4.556 ( -1.531 3.625 -1.968) 4.400 4.654 ( 1.178 -2.413 2.165) 3.450 4.654 ( 1.178 2.413 2.165) 3.450 4.911 ( 1.769 -3.071 0.164) 3.548 4.911 ( 1.769 3.071 0.164) 3.548 5.100 ( -4.107 -3.049 -3.511) 6.204 5.100 ( -4.107 3.049 -3.511) 6.204 5.218 ( 1.324 -5.440 2.459) 6.115 5.218 ( 1.324 5.440 2.459) 6.115 5.687 ( -0.429 -4.573 -2.977) 5.473 5.687 ( -0.429 4.573 -2.977) 5.473 5.830 ( -3.584 -4.617 2.705) 6.440 5.830 ( -3.584 4.617 2.705) 6.440 6.288 ( 0.821 -6.424 0.350) 6.486 6.288 ( 0.821 6.424 0.350) 6.486 8.663 ( 3.926 -1.761 -0.100) 4.304 8.663 ( 3.926 1.761 -0.100) 4.304 9.107 ( 1.250 -5.576 -0.174) 5.717 9.107 ( 1.250 5.576 -0.174) 5.717 9.406 ( 2.832 -3.522 -1.059) 4.642 9.406 ( 2.832 3.522 -1.059) 4.642 10.102 ( -3.588 -3.551 -0.350) 5.060 10.102 ( -3.588 3.551 -0.350) 5.060 10.772 ( -1.147 -1.516 -1.056) 2.175 10.772 ( -1.147 1.516 -1.056) 2.175 11.013 ( -2.145 -6.331 0.789) 6.731 11.013 ( -2.145 6.331 0.789) 6.731 11.335 ( -4.260 -4.479 2.511) 6.672 11.335 ( -4.260 4.479 2.511) 6.672 11.807 ( -1.104 -4.355 -0.375) 4.508 11.807 ( -1.104 4.355 -0.375) 4.508 12.096 ( 1.630 -4.938 -0.164) 5.202 12.096 ( 1.630 4.938 -0.164) 5.202 12.666 ( 0.732 -4.262 -0.356) 4.339 12.666 ( 0.732 4.262 -0.356) 4.339 21.854 ( 0.262 -1.114 -0.255) 1.172 21.854 ( 0.262 1.114 -0.255) 1.172 22.511 ( -1.249 -0.863 -0.035) 1.518 22.511 ( -1.249 0.863 -0.035) 1.518 22.748 ( 0.006 -4.045 0.728) 4.110 22.748 ( 0.006 4.045 0.728) 4.110 23.150 ( 5.068 -2.846 0.128) 5.814 23.150 ( 5.068 2.846 0.128) 5.814 23.407 ( 1.570 -0.933 0.440) 1.878 23.407 ( 1.570 0.933 0.440) 1.878 23.742 ( -0.923 -7.847 -0.007) 7.901 23.742 ( -0.923 7.847 -0.007) 7.901 24.484 ( -1.654 -1.709 -1.233) 2.679 24.484 ( -1.654 1.709 -1.233) 2.679 24.903 ( -3.404 -3.030 0.280) 4.566 24.903 ( -3.404 3.030 0.280) 4.566 ======================= Grid point 34 (20/90) ======================= q-point: ( 0.43 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( 5.602 -6.545 -0.619) 8.637 1.712 ( 5.602 6.545 -0.619) 8.637 2.077 ( 2.571 -3.164 -2.116) 4.594 2.077 ( 2.571 3.164 -2.116) 4.594 2.225 ( 1.012 -3.158 -0.165) 3.320 2.225 ( 1.012 3.158 -0.165) 3.320 2.516 ( 0.443 -2.104 -1.596) 2.677 2.516 ( 0.443 2.104 -1.596) 2.677 2.673 ( 3.432 -8.335 2.653) 9.396 2.673 ( 3.432 8.335 2.653) 9.396 2.800 ( -1.165 -2.392 1.798) 3.211 2.800 ( -1.165 2.392 1.798) 3.211 2.929 ( -1.493 -2.842 0.416) 3.237 2.929 ( -1.493 2.842 0.416) 3.237 3.149 ( 2.335 -4.567 1.142) 5.255 3.149 ( 2.335 4.567 1.142) 5.255 3.269 ( 0.533 -3.095 -0.169) 3.145 3.269 ( 0.533 3.095 -0.169) 3.145 3.440 ( 1.717 -2.078 -0.915) 2.846 3.440 ( 1.717 2.078 -0.915) 2.846 3.606 ( -2.172 -5.003 -0.540) 5.480 3.606 ( -2.172 5.003 -0.541) 5.480 3.755 ( -0.357 -1.577 1.106) 1.959 3.755 ( -0.357 1.577 1.106) 1.959 3.876 ( 1.002 -4.196 0.173) 4.318 3.876 ( 1.002 4.196 0.173) 4.318 3.957 ( -3.893 -1.288 -2.342) 4.723 3.957 ( -3.893 1.288 -2.342) 4.723 4.125 ( 3.434 -1.986 2.402) 4.637 4.125 ( 3.434 1.986 2.402) 4.638 4.258 ( -0.741 -3.192 -0.770) 3.366 4.258 ( -0.741 3.192 -0.770) 3.366 4.515 ( -1.984 -1.691 -1.277) 2.903 4.515 ( -1.984 1.691 -1.277) 2.903 4.669 ( 0.231 -1.239 1.231) 1.762 4.669 ( 0.231 1.239 1.231) 1.762 4.919 ( -0.481 -4.145 -1.103) 4.316 4.919 ( -0.481 4.145 -1.103) 4.316 5.048 ( -0.852 -1.111 -0.688) 1.560 5.048 ( -0.852 1.111 -0.688) 1.560 5.258 ( 1.662 -2.264 1.528) 3.197 5.258 ( 1.662 2.264 1.528) 3.197 5.670 ( -0.804 -5.133 -2.767) 5.886 5.670 ( -0.804 5.133 -2.767) 5.886 5.774 ( -1.938 -1.508 2.272) 3.346 5.774 ( -1.938 1.508 2.272) 3.346 6.301 ( 0.408 -6.236 0.122) 6.251 6.301 ( 0.408 6.236 0.122) 6.251 8.721 ( 1.846 -2.163 -0.061) 2.844 8.721 ( 1.846 2.163 -0.061) 2.844 9.121 ( 0.320 -5.577 -0.080) 5.586 9.121 ( 0.320 5.577 -0.080) 5.586 9.453 ( 1.655 -2.903 -0.429) 3.369 9.453 ( 1.655 2.903 -0.429) 3.369 10.045 ( -1.909 -2.888 -0.206) 3.468 10.045 ( -1.909 2.888 -0.206) 3.468 10.755 ( -0.431 -2.139 -0.380) 2.215 10.755 ( -0.431 2.139 -0.380) 2.215 10.981 ( -1.089 -5.191 0.259) 5.310 10.981 ( -1.089 5.191 0.259) 5.310 11.276 ( -1.789 -5.187 1.030) 5.582 11.276 ( -1.789 5.187 1.030) 5.582 11.793 ( -0.388 -4.776 -0.007) 4.792 11.793 ( -0.388 4.776 -0.007) 4.792 12.118 ( 0.666 -5.784 -0.116) 5.823 12.118 ( 0.666 5.784 -0.116) 5.823 12.676 ( 0.293 -2.715 -0.157) 2.736 12.676 ( 0.293 2.715 -0.157) 2.736 21.857 ( 0.117 -1.249 -0.114) 1.260 21.857 ( 0.117 1.249 -0.114) 1.260 22.494 ( -0.477 -0.564 -0.012) 0.739 22.494 ( -0.477 0.564 -0.012) 0.739 22.748 ( 0.006 -4.278 0.328) 4.290 22.748 ( 0.006 4.278 0.328) 4.290 23.218 ( 1.864 -4.700 0.067) 5.057 23.218 ( 1.864 4.700 0.067) 5.057 23.440 ( 1.433 -0.703 0.128) 1.602 23.440 ( 1.433 0.703 0.128) 1.602 23.727 ( -0.544 -9.654 0.103) 9.670 23.727 ( -0.544 9.654 0.103) 9.670 24.446 ( -1.548 -1.335 -0.635) 2.141 24.446 ( -1.548 1.335 -0.635) 2.141 24.862 ( -0.983 -4.518 0.155) 4.627 24.862 ( -0.983 4.518 0.155) 4.627 ======================= Grid point 63 (21/90) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.448 ( -2.251 0.000 21.788) 21.904 0.465 ( -10.503 0.000 23.579) 25.812 1.010 ( 7.461 0.000 46.419) 47.014 1.417 ( -1.644 0.000 6.457) 6.663 1.684 ( 3.052 0.000 -10.331) 10.772 1.820 ( -3.023 0.000 -4.767) 5.645 1.848 ( -2.104 0.000 1.379) 2.515 2.160 ( 0.233 0.000 0.054) 0.239 2.325 ( 1.831 0.000 6.032) 6.304 2.378 ( -1.168 0.000 0.206) 1.186 2.443 ( 1.397 0.000 2.561) 2.917 2.521 ( 2.003 0.000 3.295) 3.857 2.670 ( 0.144 0.000 -1.213) 1.222 2.941 ( 0.153 0.000 -2.561) 2.566 3.026 ( -1.672 0.000 5.822) 6.057 3.088 ( 4.159 0.000 0.392) 4.178 3.192 ( -1.897 0.000 0.587) 1.986 3.244 ( 1.439 0.000 -0.699) 1.599 3.333 ( -7.282 0.000 1.436) 7.422 3.367 ( -0.675 0.000 -0.080) 0.679 3.413 ( 0.847 0.000 -2.927) 3.047 3.545 ( 5.254 0.000 -1.129) 5.374 3.685 ( 0.562 0.000 -3.717) 3.759 3.696 ( 2.318 0.000 -7.905) 8.238 3.794 ( -2.182 0.000 -0.619) 2.268 3.901 ( -0.377 0.000 0.767) 0.854 4.043 ( 0.601 0.000 -2.621) 2.689 4.116 ( 0.113 0.000 -0.801) 0.809 4.129 ( -2.579 0.000 -2.348) 3.488 4.180 ( 0.325 0.000 1.694) 1.725 4.269 ( -0.462 0.000 3.512) 3.542 4.300 ( -0.600 0.000 -0.484) 0.771 4.367 ( 2.038 0.000 1.547) 2.558 4.620 ( 2.767 0.000 -5.016) 5.729 4.657 ( -1.064 0.000 -1.591) 1.914 4.728 ( -13.363 0.000 -4.231) 14.017 4.757 ( -0.859 0.000 -1.627) 1.840 4.879 ( -0.146 0.000 -2.584) 2.589 4.994 ( -3.459 0.000 2.332) 4.172 5.127 ( -6.819 0.000 -9.493) 11.688 5.183 ( -1.493 0.000 5.366) 5.570 5.431 ( 0.464 0.000 -2.781) 2.820 5.554 ( -1.016 0.000 -1.555) 1.857 5.655 ( 3.640 0.000 3.061) 4.756 5.763 ( -0.574 0.000 3.092) 3.145 6.121 ( -2.118 0.000 -1.076) 2.376 6.290 ( -3.455 0.000 9.753) 10.347 7.113 ( 17.170 0.000 -5.991) 18.185 8.419 ( 0.155 0.000 -0.296) 0.334 8.647 ( 0.068 0.000 0.957) 0.959 9.052 ( -1.202 0.000 -1.900) 2.249 9.148 ( 0.283 0.000 1.066) 1.103 9.189 ( 0.521 0.000 3.903) 3.938 9.557 ( -0.305 0.000 -2.403) 2.423 9.991 ( -1.162 0.000 -0.468) 1.253 10.282 ( 5.281 0.000 -0.011) 5.281 10.436 ( -0.316 0.000 -0.187) 0.367 10.663 ( 2.380 0.000 -2.112) 3.182 11.080 ( -0.245 0.000 0.000) 0.245 11.273 ( 0.541 0.000 -2.958) 3.007 11.381 ( -4.913 0.000 3.121) 5.821 11.421 ( 6.029 0.000 4.120) 7.302 11.487 ( 4.004 0.000 0.850) 4.093 11.754 ( 0.904 0.000 -0.303) 0.954 11.803 ( 0.550 0.000 -4.396) 4.430 12.407 ( -16.942 0.000 0.399) 16.947 12.962 ( 10.749 0.000 1.809) 10.900 13.086 ( -2.392 0.000 -0.179) 2.399 21.790 ( 0.062 0.000 -0.239) 0.247 21.802 ( -0.055 0.000 0.132) 0.143 21.854 ( -0.273 0.000 0.474) 0.547 22.328 ( 0.569 0.000 1.258) 1.380 22.405 ( -0.629 0.000 -0.329) 0.710 22.909 ( -0.098 0.000 -0.076) 0.124 22.978 ( -5.527 0.000 0.962) 5.610 23.187 ( 0.977 0.000 -2.011) 2.235 23.361 ( 0.333 0.000 -0.407) 0.526 23.392 ( 4.040 0.000 0.244) 4.047 23.581 ( -16.305 0.000 0.853) 16.327 24.415 ( 15.784 0.000 0.304) 15.786 24.462 ( -1.883 0.000 -0.105) 1.886 24.627 ( 0.359 0.000 -0.710) 0.795 24.651 ( 4.409 0.000 -0.208) 4.414 25.245 ( 4.158 0.000 0.332) 4.172 ======================= Grid point 64 (22/90) ======================= q-point: ( 0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.558 ( 12.333 0.000 16.738) 20.791 0.591 ( 17.863 0.000 13.297) 22.269 1.317 ( 20.309 0.000 38.154) 43.223 1.438 ( 1.978 0.000 4.119) 4.569 1.671 ( -5.312 0.000 1.644) 5.560 1.722 ( 2.839 0.000 -13.835) 14.123 1.948 ( 6.232 0.000 3.856) 7.328 2.185 ( 2.484 0.000 1.356) 2.830 2.325 ( -2.727 0.000 -1.124) 2.949 2.387 ( 2.633 0.000 2.992) 3.985 2.503 ( 3.402 0.000 2.913) 4.478 2.605 ( 4.322 0.000 3.421) 5.513 2.677 ( 3.574 0.000 0.061) 3.575 2.926 ( -0.775 0.000 -0.883) 1.175 2.969 ( -4.807 0.000 2.483) 5.410 3.107 ( -4.543 0.000 -1.881) 4.917 3.157 ( 0.699 0.000 1.580) 1.728 3.207 ( -4.158 0.000 1.165) 4.318 3.343 ( 7.598 0.000 0.764) 7.637 3.353 ( 0.062 0.000 -2.053) 2.054 3.433 ( 2.361 0.000 -1.750) 2.939 3.629 ( -1.581 0.000 -6.572) 6.759 3.673 ( 5.507 0.000 -0.849) 5.572 3.746 ( -0.810 0.000 -0.469) 0.935 3.825 ( 4.872 0.000 -5.390) 7.266 3.896 ( -0.720 0.000 0.746) 1.036 4.037 ( -3.043 0.000 -0.294) 3.057 4.073 ( 1.109 0.000 -4.162) 4.307 4.117 ( -1.556 0.000 -0.239) 1.574 4.151 ( 0.781 0.000 -0.242) 0.817 4.263 ( -3.026 0.000 2.720) 4.069 4.322 ( 0.377 0.000 4.751) 4.766 4.387 ( 0.600 0.000 0.134) 0.615 4.513 ( -4.830 0.000 5.958) 7.670 4.609 ( -1.142 0.000 -6.250) 6.353 4.697 ( 1.242 0.000 -2.434) 2.733 4.743 ( -1.748 0.000 -3.957) 4.326 4.829 ( -3.058 0.000 -2.697) 4.078 4.951 ( 0.848 0.000 -0.558) 1.016 5.035 ( -1.332 0.000 -3.210) 3.475 5.198 ( -1.797 0.000 9.566) 9.733 5.418 ( -0.975 0.000 -2.264) 2.465 5.534 ( -1.630 0.000 -4.301) 4.599 5.724 ( 1.911 0.000 1.453) 2.401 5.778 ( 2.885 0.000 4.918) 5.702 6.067 ( -3.967 0.000 -0.670) 4.023 6.235 ( -2.423 0.000 5.614) 6.114 6.983 ( -18.368 0.000 4.131) 18.827 8.432 ( 1.152 0.000 -0.117) 1.158 8.675 ( 2.846 0.000 0.856) 2.972 8.957 ( -6.675 0.000 4.826) 8.237 9.133 ( -1.567 0.000 1.460) 2.142 9.245 ( 5.005 0.000 2.255) 5.490 9.523 ( -2.946 0.000 -1.929) 3.521 9.962 ( -2.586 0.000 -1.002) 2.773 10.368 ( 3.610 0.000 -1.190) 3.802 10.480 ( 3.737 0.000 -0.321) 3.751 10.704 ( 1.177 0.000 -6.856) 6.956 11.100 ( 1.921 0.000 -0.445) 1.972 11.197 ( -9.610 0.000 0.873) 9.650 11.285 ( -2.147 0.000 -2.047) 2.966 11.474 ( 0.191 0.000 3.060) 3.066 11.531 ( 0.593 0.000 -1.044) 1.201 11.659 ( -4.981 0.000 9.082) 10.358 11.790 ( 0.177 0.000 -4.093) 4.097 12.297 ( -0.976 0.000 5.958) 6.037 12.995 ( -0.044 0.000 -6.270) 6.270 13.232 ( 7.410 0.000 -3.864) 8.357 21.791 ( -0.012 0.000 -0.276) 0.276 21.801 ( -0.018 0.000 0.141) 0.143 21.853 ( 0.175 0.000 0.406) 0.442 22.361 ( 2.106 0.000 0.095) 2.108 22.400 ( 0.258 0.000 -0.506) 0.568 22.818 ( -9.260 0.000 10.826) 14.246 22.923 ( 0.762 0.000 0.464) 0.892 23.210 ( 0.817 0.000 0.173) 0.835 23.308 ( -6.851 0.000 10.699) 12.705 23.368 ( 0.908 0.000 -0.536) 1.055 23.456 ( 3.444 0.000 -0.663) 3.507 24.252 ( -10.204 0.000 2.559) 10.520 24.459 ( -0.828 0.000 0.518) 0.976 24.603 ( -2.386 0.000 -0.472) 2.432 24.932 ( 8.254 0.000 -4.714) 9.505 25.229 ( -4.304 0.000 -3.762) 5.716 ======================= Grid point 65 (23/90) ======================= q-point: ( 0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.791 ( 11.079 0.000 12.491) 16.696 0.990 ( 21.399 0.000 9.658) 23.478 1.397 ( -4.466 0.000 1.708) 4.782 1.655 ( 5.823 0.000 4.624) 7.436 1.727 ( 13.049 0.000 11.652) 17.494 1.799 ( 6.228 0.000 -4.087) 7.449 2.071 ( 6.514 0.000 5.559) 8.564 2.222 ( -1.481 0.000 -1.361) 2.011 2.264 ( -1.433 0.000 2.422) 2.814 2.436 ( 1.840 0.000 -1.728) 2.525 2.507 ( -2.487 0.000 1.300) 2.806 2.634 ( 1.658 0.000 2.062) 2.646 2.824 ( 4.411 0.000 3.002) 5.335 2.862 ( -0.200 0.000 -0.938) 0.959 2.935 ( -1.476 0.000 1.094) 1.837 3.057 ( 0.312 0.000 -10.630) 10.634 3.127 ( -2.443 0.000 2.016) 3.167 3.178 ( 0.707 0.000 -0.035) 0.708 3.383 ( 2.071 0.000 -0.411) 2.112 3.477 ( 5.364 0.000 3.102) 6.196 3.526 ( 6.994 0.000 0.497) 7.012 3.604 ( 0.275 0.000 -3.139) 3.151 3.735 ( 0.779 0.000 -0.281) 0.828 3.767 ( 1.833 0.000 -0.997) 2.087 3.845 ( -1.816 0.000 2.897) 3.419 3.880 ( 0.151 0.000 -3.881) 3.884 3.989 ( -1.174 0.000 3.006) 3.227 4.060 ( -3.958 0.000 0.082) 3.959 4.081 ( -1.363 0.000 -5.016) 5.198 4.169 ( -4.595 0.000 -0.237) 4.601 4.228 ( 3.192 0.000 1.158) 3.396 4.325 ( 2.544 0.000 0.061) 2.545 4.435 ( 0.778 0.000 5.274) 5.331 4.460 ( -1.120 0.000 3.629) 3.798 4.625 ( 3.331 0.000 -2.552) 4.196 4.680 ( -1.939 0.000 -0.007) 1.939 4.690 ( -1.799 0.000 -9.334) 9.505 4.813 ( -0.087 0.000 -0.306) 0.318 4.989 ( 2.059 0.000 3.000) 3.638 5.025 ( 0.622 0.000 -2.759) 2.828 5.163 ( -0.767 0.000 8.218) 8.254 5.404 ( -0.604 0.000 -0.650) 0.888 5.471 ( -4.860 0.000 -8.298) 9.617 5.732 ( -0.463 0.000 0.619) 0.773 5.841 ( 2.216 0.000 2.209) 3.129 5.971 ( -5.742 0.000 -5.493) 7.947 6.206 ( -1.138 0.000 3.071) 3.276 6.664 ( -14.749 0.000 6.967) 16.312 8.457 ( 1.353 0.000 0.217) 1.370 8.741 ( 3.568 0.000 0.226) 3.575 8.869 ( -2.852 0.000 6.681) 7.264 9.101 ( -1.683 0.000 1.498) 2.253 9.334 ( 3.703 0.000 0.084) 3.704 9.459 ( -3.260 0.000 -0.346) 3.278 9.891 ( -4.241 0.000 -0.217) 4.247 10.445 ( 4.248 0.000 -0.480) 4.275 10.527 ( 0.843 0.000 -0.220) 0.871 10.717 ( 1.603 0.000 -5.938) 6.151 11.043 ( -6.069 0.000 -0.016) 6.069 11.134 ( 0.390 0.000 -3.424) 3.446 11.247 ( -1.302 0.000 -2.415) 2.744 11.448 ( -2.722 0.000 1.192) 2.971 11.526 ( -0.588 0.000 1.939) 2.026 11.618 ( -0.971 0.000 6.929) 6.997 11.801 ( 0.596 0.000 -0.943) 1.116 12.271 ( -1.345 0.000 3.622) 3.864 13.021 ( 2.706 0.000 -6.437) 6.983 13.295 ( 0.640 0.000 -1.831) 1.940 21.790 ( -0.094 0.000 -0.233) 0.252 21.802 ( 0.033 0.000 0.107) 0.112 21.860 ( 0.458 0.000 0.527) 0.698 22.380 ( 0.163 0.000 -0.840) 0.856 22.422 ( 1.745 0.000 0.334) 1.777 22.694 ( -4.601 0.000 14.070) 14.803 22.941 ( 0.942 0.000 0.159) 0.955 23.200 ( -1.024 0.000 3.669) 3.809 23.275 ( -0.132 0.000 3.157) 3.160 23.413 ( 3.791 0.000 -1.008) 3.923 23.531 ( 4.330 0.000 -0.681) 4.384 24.066 ( -10.287 0.000 -1.830) 10.449 24.438 ( -1.204 0.000 0.887) 1.496 24.558 ( -1.915 0.000 -0.472) 1.972 25.011 ( 1.703 0.000 0.365) 1.741 25.163 ( -1.850 0.000 -5.463) 5.768 ======================= Grid point 66 (24/90) ======================= q-point: ( 0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( 4.243 0.000 10.363) 11.198 1.332 ( 1.493 0.000 6.603) 6.770 1.357 ( 12.264 0.000 10.784) 16.331 1.719 ( 0.981 0.000 1.941) 2.175 1.832 ( -6.097 0.000 -2.997) 6.794 1.868 ( 4.870 0.000 -9.318) 10.514 2.118 ( -6.844 0.000 -3.623) 7.744 2.188 ( 5.158 0.000 4.909) 7.120 2.281 ( 0.896 0.000 8.184) 8.233 2.482 ( 1.384 0.000 6.581) 6.725 2.514 ( 4.885 0.000 -2.207) 5.361 2.632 ( -2.438 0.000 1.677) 2.959 2.803 ( -1.722 0.000 -2.778) 3.268 2.856 ( -5.272 0.000 -3.209) 6.172 2.951 ( 4.488 0.000 -1.834) 4.848 3.073 ( -0.531 0.000 -8.502) 8.519 3.095 ( -0.048 0.000 2.102) 2.102 3.264 ( 5.993 0.000 -2.048) 6.333 3.394 ( 0.134 0.000 1.502) 1.508 3.553 ( -2.447 0.000 -0.969) 2.632 3.575 ( 3.401 0.000 3.986) 5.240 3.647 ( 0.839 0.000 1.666) 1.865 3.682 ( -2.226 0.000 1.997) 2.991 3.796 ( 0.784 0.000 0.880) 1.178 3.849 ( -1.623 0.000 -1.960) 2.545 3.922 ( 5.191 0.000 2.249) 5.657 3.981 ( -4.258 0.000 0.065) 4.259 3.990 ( 0.530 0.000 0.802) 0.961 4.045 ( 1.258 0.000 2.874) 3.137 4.091 ( -2.824 0.000 1.821) 3.360 4.271 ( 0.914 0.000 -0.284) 0.957 4.353 ( -1.558 0.000 0.503) 1.637 4.404 ( 0.441 0.000 0.751) 0.871 4.510 ( 2.385 0.000 3.653) 4.363 4.661 ( 0.776 0.000 -1.709) 1.877 4.671 ( 0.646 0.000 -3.760) 3.816 4.707 ( 3.568 0.000 -0.674) 3.631 4.816 ( 0.754 0.000 -1.853) 2.001 5.024 ( 1.832 0.000 0.643) 1.942 5.066 ( 3.630 0.000 5.976) 6.993 5.185 ( 1.489 0.000 6.682) 6.846 5.341 ( -6.388 0.000 -5.859) 8.668 5.424 ( 2.223 0.000 -5.403) 5.842 5.701 ( -3.234 0.000 -1.360) 3.508 5.818 ( -4.296 0.000 -0.489) 4.324 5.900 ( -0.701 0.000 -12.697) 12.717 6.189 ( -0.899 0.000 1.956) 2.152 6.462 ( -7.102 0.000 7.053) 10.009 8.476 ( 0.434 0.000 0.486) 0.652 8.782 ( 0.608 0.000 0.241) 0.654 8.861 ( 1.369 0.000 7.244) 7.372 9.081 ( -0.362 0.000 1.590) 1.631 9.346 ( -2.086 0.000 -3.998) 4.509 9.440 ( 1.105 0.000 2.670) 2.890 9.830 ( -1.861 0.000 -0.168) 1.869 10.501 ( 0.541 0.000 -0.578) 0.792 10.527 ( 0.735 0.000 -0.114) 0.743 10.769 ( 3.559 0.000 -2.859) 4.565 10.942 ( -5.362 0.000 -2.712) 6.009 11.103 ( -1.830 0.000 -6.908) 7.147 11.266 ( 2.762 0.000 -0.103) 2.764 11.383 ( -4.079 0.000 0.540) 4.114 11.523 ( 0.238 0.000 4.271) 4.278 11.611 ( -0.228 0.000 3.505) 3.512 11.799 ( -0.820 0.000 1.354) 1.583 12.272 ( 1.490 0.000 1.970) 2.469 13.076 ( 3.120 0.000 -5.837) 6.619 13.281 ( -1.667 0.000 0.115) 1.671 21.788 ( -0.068 0.000 -0.211) 0.221 21.802 ( 0.032 0.000 0.097) 0.102 21.868 ( 0.348 0.000 0.777) 0.852 22.379 ( -0.182 0.000 -0.942) 0.960 22.452 ( 1.236 0.000 1.012) 1.597 22.649 ( -0.983 0.000 14.293) 14.327 22.954 ( 0.350 0.000 -0.002) 0.350 23.184 ( -1.082 0.000 1.970) 2.247 23.268 ( -0.793 0.000 1.300) 1.523 23.491 ( 4.027 0.000 -1.203) 4.203 23.588 ( 0.602 0.000 0.352) 0.697 23.896 ( -5.999 0.000 -5.398) 8.071 24.424 ( -0.237 0.000 1.007) 1.034 24.536 ( -0.442 0.000 -0.606) 0.750 25.016 ( -0.797 0.000 -1.139) 1.390 25.155 ( 0.783 0.000 -2.659) 2.772 ======================= Grid point 67 (25/90) ======================= q-point: (-0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( -3.424 0.000 11.048) 11.566 1.321 ( -4.701 0.000 6.817) 8.281 1.411 ( -7.122 0.000 13.920) 15.636 1.662 ( -7.775 0.000 1.985) 8.025 1.796 ( 4.825 0.000 -5.886) 7.611 1.930 ( 0.556 0.000 -8.601) 8.619 2.011 ( -2.439 0.000 -2.073) 3.201 2.233 ( -0.930 0.000 6.253) 6.322 2.311 ( 2.305 0.000 5.909) 6.342 2.437 ( -4.209 0.000 0.767) 4.278 2.579 ( -2.580 0.000 0.047) 2.580 2.624 ( 2.925 0.000 1.610) 3.339 2.727 ( -4.693 0.000 -4.076) 6.216 2.787 ( -2.169 0.000 -3.011) 3.711 2.978 ( -4.050 0.000 -10.833) 11.566 3.066 ( 3.943 0.000 -1.016) 4.071 3.106 ( -0.579 0.000 5.531) 5.562 3.305 ( -0.349 0.000 -1.168) 1.219 3.375 ( -3.180 0.000 1.124) 3.372 3.507 ( -1.140 0.000 -3.185) 3.383 3.608 ( 0.392 0.000 2.259) 2.293 3.638 ( -2.705 0.000 -0.788) 2.817 3.717 ( 4.760 0.000 3.528) 5.925 3.772 ( -1.425 0.000 -0.218) 1.442 3.807 ( -3.782 0.000 4.131) 5.601 3.895 ( -1.778 0.000 -0.356) 1.813 4.009 ( 2.092 0.000 2.606) 3.342 4.019 ( 0.952 0.000 4.035) 4.146 4.051 ( 0.911 0.000 0.825) 1.229 4.163 ( 7.807 0.000 2.721) 8.268 4.248 ( -3.422 0.000 -1.088) 3.590 4.330 ( 0.257 0.000 0.379) 0.458 4.411 ( -0.799 0.000 -0.912) 1.212 4.522 ( -1.019 0.000 3.090) 3.254 4.673 ( 0.126 0.000 -3.172) 3.174 4.731 ( 5.105 0.000 -0.267) 5.112 4.755 ( 1.913 0.000 2.470) 3.124 4.841 ( 2.011 0.000 -4.185) 4.643 5.034 ( -1.253 0.000 -0.850) 1.514 5.142 ( 0.937 0.000 0.151) 0.949 5.213 ( 4.628 0.000 7.581) 8.882 5.272 ( 0.507 0.000 4.295) 4.325 5.483 ( 2.143 0.000 -4.887) 5.336 5.647 ( -0.196 0.000 -2.554) 2.561 5.743 ( -3.840 0.000 -3.974) 5.526 5.910 ( 3.032 0.000 -13.995) 14.320 6.175 ( -0.623 0.000 1.222) 1.372 6.392 ( -1.483 0.000 7.678) 7.819 8.472 ( -0.814 0.000 0.413) 0.913 8.776 ( -1.380 0.000 0.578) 1.496 8.899 ( 2.221 0.000 8.149) 8.447 9.089 ( 1.020 0.000 1.843) 2.107 9.303 ( -2.103 0.000 -4.355) 4.836 9.465 ( 1.274 0.000 2.033) 2.400 9.821 ( 0.826 0.000 -0.335) 0.891 10.478 ( -2.262 0.000 -0.863) 2.421 10.547 ( 0.498 0.000 0.414) 0.647 10.795 ( -3.079 0.000 -5.468) 6.276 10.876 ( 1.516 0.000 -2.268) 2.728 11.102 ( 2.059 0.000 -5.472) 5.847 11.303 ( -3.501 0.000 1.344) 3.750 11.326 ( 2.636 0.000 -0.334) 2.657 11.536 ( 0.393 0.000 6.343) 6.355 11.606 ( -0.376 0.000 0.280) 0.469 11.783 ( -0.529 0.000 1.020) 1.149 12.326 ( 4.015 0.000 3.518) 5.338 13.121 ( 1.589 0.000 -8.050) 8.205 13.243 ( -2.166 0.000 1.906) 2.885 21.787 ( 0.005 0.000 -0.208) 0.208 21.803 ( 0.018 0.000 0.106) 0.108 21.872 ( -0.040 0.000 0.916) 0.917 22.373 ( -0.437 0.000 -0.940) 1.036 22.463 ( -0.168 0.000 1.046) 1.059 22.678 ( 3.717 0.000 16.769) 17.176 22.953 ( -0.466 0.000 -0.114) 0.480 23.155 ( -2.143 0.000 0.312) 2.165 23.249 ( -1.240 0.000 0.083) 1.243 23.512 ( -4.099 0.000 -0.165) 4.103 23.566 ( 0.516 0.000 -0.455) 0.688 23.876 ( 2.898 0.000 -5.726) 6.417 24.428 ( 0.505 0.000 1.049) 1.164 24.542 ( 1.065 0.000 -0.515) 1.184 24.998 ( -0.778 0.000 -1.629) 1.805 25.169 ( 0.419 0.000 -2.198) 2.238 ======================= Grid point 68 (26/90) ======================= q-point: (-0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.828 ( -10.704 0.000 14.124) 17.722 1.046 ( -18.151 0.000 16.935) 24.824 1.412 ( -7.981 0.000 2.086) 8.249 1.453 ( -3.468 0.000 6.241) 7.140 1.760 ( -10.198 0.000 9.554) 13.974 1.868 ( -4.246 0.000 -8.581) 9.574 2.035 ( 1.768 0.000 -2.699) 3.226 2.203 ( -2.588 0.000 6.808) 7.283 2.329 ( -0.041 0.000 -1.971) 1.971 2.418 ( 2.109 0.000 -1.605) 2.650 2.529 ( -5.113 0.000 1.104) 5.231 2.551 ( -4.767 0.000 0.711) 4.819 2.670 ( -2.784 0.000 -1.664) 3.243 2.801 ( 3.528 0.000 -0.925) 3.647 2.940 ( 1.536 0.000 -6.663) 6.838 3.087 ( -2.012 0.000 3.092) 3.689 3.129 ( 3.923 0.000 3.782) 5.449 3.310 ( 0.825 0.000 2.049) 2.208 3.331 ( -1.007 0.000 -5.576) 5.667 3.450 ( -5.566 0.000 -2.313) 6.027 3.510 ( -6.782 0.000 0.158) 6.784 3.628 ( -1.935 0.000 -1.986) 2.773 3.704 ( -1.316 0.000 0.292) 1.348 3.775 ( -0.335 0.000 1.990) 2.018 3.818 ( 1.593 0.000 5.105) 5.348 3.929 ( 2.348 0.000 2.150) 3.183 3.964 ( -0.486 0.000 -4.247) 4.275 4.050 ( 0.316 0.000 3.218) 3.233 4.076 ( 1.151 0.000 -0.295) 1.188 4.180 ( -2.599 0.000 -1.977) 3.265 4.277 ( 0.268 0.000 1.680) 1.701 4.341 ( -2.935 0.000 -2.897) 4.124 4.412 ( 5.583 0.000 3.249) 6.459 4.522 ( 3.075 0.000 3.291) 4.504 4.655 ( -1.774 0.000 -2.010) 2.681 4.786 ( 2.156 0.000 1.683) 2.735 4.816 ( 2.585 0.000 -2.150) 3.362 4.875 ( 0.502 0.000 -5.192) 5.216 5.002 ( -0.759 0.000 1.192) 1.413 5.170 ( 0.093 0.000 -9.846) 9.846 5.206 ( 0.810 0.000 2.815) 2.929 5.440 ( 9.813 0.000 12.153) 15.620 5.499 ( 1.816 0.000 -0.230) 1.830 5.637 ( -2.964 0.000 -5.780) 6.496 5.717 ( 2.354 0.000 1.932) 3.046 6.022 ( 10.333 0.000 -6.552) 12.235 6.167 ( -0.256 0.000 -0.338) 0.424 6.386 ( -0.124 0.000 9.515) 9.515 8.451 ( -1.305 0.000 0.091) 1.308 8.729 ( -3.315 0.000 0.511) 3.355 8.961 ( 4.056 0.000 9.590) 10.413 9.114 ( 1.274 0.000 1.848) 2.245 9.250 ( -3.641 0.000 -3.190) 4.841 9.495 ( 2.033 0.000 0.425) 2.077 9.861 ( 3.451 0.000 -0.516) 3.489 10.416 ( -4.295 0.000 -1.132) 4.441 10.531 ( -2.343 0.000 0.477) 2.391 10.714 ( -3.740 0.000 -11.184) 11.792 10.966 ( 7.318 0.000 2.825) 7.844 11.143 ( 0.926 0.000 -2.891) 3.036 11.259 ( 0.281 0.000 0.709) 0.763 11.379 ( 2.605 0.000 0.325) 2.626 11.515 ( -3.077 0.000 6.624) 7.303 11.618 ( 1.922 0.000 -0.542) 1.997 11.785 ( 0.513 0.000 -0.609) 0.796 12.421 ( 5.856 0.000 7.348) 9.396 13.098 ( -3.999 0.000 -12.784) 13.395 13.218 ( -0.803 0.000 2.147) 2.292 21.788 ( 0.068 0.000 -0.213) 0.224 21.803 ( -0.005 0.000 0.123) 0.123 21.868 ( -0.366 0.000 0.845) 0.921 22.361 ( -0.856 0.000 -0.812) 1.180 22.448 ( -1.303 0.000 0.787) 1.522 22.817 ( 10.732 0.000 21.473) 24.006 22.939 ( -0.762 0.000 0.198) 0.788 23.106 ( -2.907 0.000 -0.924) 3.050 23.224 ( -1.352 0.000 -0.787) 1.564 23.430 ( -3.498 0.000 0.482) 3.531 23.575 ( 0.282 0.000 1.793) 1.815 23.942 ( 3.464 0.000 -5.719) 6.687 24.442 ( 0.920 0.000 0.844) 1.249 24.571 ( 1.888 0.000 -0.233) 1.902 24.984 ( -1.209 0.000 -1.038) 1.593 25.161 ( -0.945 0.000 -4.233) 4.338 ======================= Grid point 69 (27/90) ======================= q-point: (-0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.602 ( -12.816 0.000 17.820) 21.950 0.744 ( -15.427 0.000 20.857) 25.943 1.090 ( -16.751 0.000 28.932) 33.431 1.524 ( -8.781 0.000 5.091) 10.150 1.580 ( 5.667 0.000 2.573) 6.224 1.805 ( -1.554 0.000 -8.421) 8.564 2.000 ( -6.058 0.000 -3.807) 7.155 2.169 ( -1.007 0.000 3.388) 3.534 2.312 ( -1.250 0.000 2.025) 2.380 2.416 ( -3.539 0.000 0.275) 3.550 2.437 ( -0.272 0.000 2.191) 2.207 2.519 ( -0.979 0.000 1.036) 1.426 2.656 ( 0.758 0.000 -3.844) 3.919 2.887 ( 5.306 0.000 2.322) 5.792 3.000 ( 3.937 0.000 -2.122) 4.473 3.049 ( -1.178 0.000 4.092) 4.258 3.237 ( 4.064 0.000 0.816) 4.145 3.259 ( -5.115 0.000 -1.826) 5.431 3.306 ( 0.064 0.000 4.056) 4.057 3.377 ( -0.041 0.000 -4.452) 4.452 3.456 ( -0.960 0.000 1.290) 1.608 3.558 ( -4.997 0.000 -4.964) 7.044 3.664 ( -2.816 0.000 0.619) 2.883 3.729 ( -1.520 0.000 -3.883) 4.170 3.857 ( -3.328 0.000 -0.053) 3.329 3.898 ( 1.065 0.000 1.109) 1.537 4.030 ( 1.549 0.000 -3.296) 3.642 4.065 ( 4.794 0.000 4.285) 6.430 4.121 ( 1.944 0.000 1.050) 2.209 4.147 ( -0.923 0.000 -1.915) 2.126 4.253 ( 1.202 0.000 0.223) 1.222 4.325 ( -0.415 0.000 -1.739) 1.788 4.416 ( -4.068 0.000 0.818) 4.150 4.599 ( -0.392 0.000 -1.977) 2.016 4.649 ( 3.019 0.000 -1.369) 3.315 4.791 ( -2.379 0.000 0.468) 2.424 4.848 ( 1.645 0.000 -4.196) 4.506 4.870 ( -0.667 0.000 -5.193) 5.236 5.010 ( 1.250 0.000 4.076) 4.264 5.118 ( -1.876 0.000 -5.527) 5.837 5.287 ( 3.102 0.000 -0.374) 3.125 5.458 ( -3.704 0.000 -10.573) 11.203 5.565 ( 0.289 0.000 3.540) 3.552 5.619 ( 1.122 0.000 -4.313) 4.456 5.765 ( 1.289 0.000 1.687) 2.123 6.154 ( -1.158 0.000 -1.346) 1.775 6.314 ( 6.518 0.000 6.288) 9.057 6.475 ( 26.182 0.000 23.216) 34.992 8.428 ( -0.980 0.000 -0.218) 1.004 8.670 ( -2.540 0.000 0.823) 2.670 9.047 ( 3.491 0.000 7.220) 8.020 9.121 ( -0.376 0.000 0.100) 0.390 9.188 ( -1.499 0.000 1.280) 1.972 9.537 ( 2.163 0.000 -1.589) 2.684 9.944 ( 5.083 0.000 0.286) 5.091 10.316 ( -6.180 0.000 -1.935) 6.476 10.474 ( -3.166 0.000 0.327) 3.183 10.659 ( -1.516 0.000 -8.691) 8.823 11.097 ( 0.610 0.000 0.720) 0.944 11.168 ( 8.202 0.000 3.802) 9.041 11.308 ( 3.633 0.000 0.398) 3.655 11.422 ( 1.872 0.000 0.722) 2.006 11.452 ( -3.041 0.000 5.917) 6.652 11.671 ( 3.899 0.000 1.120) 4.057 11.794 ( 0.446 0.000 -2.716) 2.752 12.540 ( 5.055 0.000 9.409) 10.681 12.966 ( -8.848 0.000 -16.740) 18.934 13.180 ( -4.137 0.000 0.482) 4.165 21.789 ( 0.078 0.000 -0.223) 0.236 21.803 ( -0.027 0.000 0.136) 0.138 21.860 ( -0.415 0.000 0.652) 0.773 22.340 ( -1.253 0.000 -0.009) 1.253 22.423 ( -1.261 0.000 0.258) 1.288 22.917 ( -0.652 0.000 -0.003) 0.652 23.045 ( -1.956 0.000 1.508) 2.470 23.126 ( 14.632 0.000 11.134) 18.386 23.215 ( 3.485 0.000 3.488) 4.931 23.385 ( -1.494 0.000 0.653) 1.631 23.617 ( 5.753 0.000 7.269) 9.270 24.000 ( 5.504 0.000 0.360) 5.516 24.459 ( 0.773 0.000 0.514) 0.928 24.606 ( 1.745 0.000 -0.390) 1.788 24.890 ( -10.708 0.000 -5.738) 12.149 25.165 ( 2.507 0.000 -0.992) 2.696 ======================= Grid point 70 (28/90) ======================= q-point: ( 0.00 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.652 ( -10.307 15.526 15.938) 24.522 0.854 ( 1.890 16.468 18.573) 24.894 1.202 ( 3.751 19.246 19.643) 27.755 1.364 ( 1.747 1.608 14.130) 14.329 1.857 ( -1.242 10.679 -5.190) 11.938 1.940 ( -4.847 5.847 -4.193) 8.675 2.028 ( 4.670 11.302 -3.162) 12.631 2.225 ( -0.199 5.406 0.036) 5.410 2.284 ( 0.793 8.510 1.430) 8.666 2.406 ( 1.401 0.999 0.796) 1.896 2.501 ( 0.853 0.114 2.643) 2.779 2.618 ( 0.062 7.450 1.086) 7.529 2.715 ( 1.362 3.966 -0.703) 4.252 2.917 ( -0.343 -2.804 -3.250) 4.306 3.014 ( -1.135 -0.481 4.264) 4.438 3.081 ( 1.200 -1.008 -1.254) 2.007 3.159 ( -0.693 -2.242 0.630) 2.429 3.204 ( 0.365 -2.628 1.963) 3.300 3.353 ( -3.008 1.548 -0.273) 3.394 3.401 ( 1.457 1.153 -4.062) 4.467 3.515 ( 1.588 3.938 0.316) 4.258 3.521 ( -0.471 2.718 0.282) 2.773 3.642 ( 1.840 -1.458 -0.836) 2.492 3.723 ( -1.938 2.541 -4.549) 5.560 3.821 ( 0.367 -2.588 1.255) 2.900 3.864 ( -1.488 0.311 -5.028) 5.253 3.983 ( 0.476 -4.283 1.177) 4.467 4.098 ( 0.332 -1.547 -0.243) 1.601 4.184 ( 1.701 0.326 -0.662) 1.854 4.200 ( 0.921 3.244 1.484) 3.684 4.261 ( 1.901 -0.106 1.454) 2.396 4.321 ( -0.417 2.798 0.816) 2.944 4.445 ( -3.876 3.790 -3.674) 6.548 4.552 ( 0.863 -3.360 -4.821) 5.939 4.623 ( -4.026 -4.179 -3.901) 6.992 4.675 ( -2.763 0.884 0.002) 2.901 4.746 ( -2.022 -1.031 -1.631) 2.795 4.822 ( -0.416 0.258 -0.729) 0.878 4.945 ( 0.433 -1.547 1.587) 2.258 5.211 ( -0.856 6.146 -1.865) 6.479 5.370 ( -2.844 4.593 -3.652) 6.521 5.443 ( -0.168 3.542 -0.149) 3.549 5.525 ( 1.042 -2.401 1.162) 2.864 5.613 ( 2.393 -0.879 5.284) 5.867 5.794 ( 3.288 -0.536 1.010) 3.481 6.126 ( -5.461 -5.155 2.104) 7.799 6.226 ( 0.369 0.087 4.668) 4.683 6.862 ( 4.939 -13.675 -1.944) 14.669 8.462 ( -0.365 2.865 -0.817) 3.002 8.741 ( 0.435 3.373 -3.042) 4.562 8.926 ( -3.054 -7.194 1.975) 8.061 9.146 ( -3.187 0.849 -1.295) 3.543 9.252 ( 3.101 2.746 2.821) 5.011 9.555 ( 0.017 -0.751 -1.859) 2.005 9.973 ( 0.641 0.003 -1.075) 1.252 10.265 ( 1.682 -0.801 0.533) 1.938 10.588 ( -0.829 7.460 -6.456) 9.901 10.680 ( 1.541 2.031 -1.558) 2.988 10.904 ( -1.123 -7.226 -0.455) 7.327 11.311 ( 1.051 -1.018 3.399) 3.700 11.401 ( 3.428 0.775 0.985) 3.650 11.497 ( 0.582 2.784 2.898) 4.061 11.593 ( -0.608 9.404 -0.318) 9.429 11.730 ( 1.146 -1.131 -0.836) 1.814 11.878 ( 4.327 5.125 -5.868) 8.911 12.401 ( -12.612 -0.172 2.012) 12.773 12.653 ( 6.403 -15.914 13.340) 21.730 13.063 ( -0.678 -3.721 -1.092) 3.937 21.815 ( 0.124 1.826 -0.242) 1.846 21.847 ( -0.334 -0.353 0.692) 0.846 22.130 ( 0.914 16.792 -8.031) 18.636 22.339 ( 0.823 1.168 1.349) 1.965 22.445 ( -0.590 3.693 -2.631) 4.573 22.874 ( -1.238 -1.435 2.163) 2.876 23.010 ( -2.539 1.575 -0.391) 3.013 23.138 ( 1.717 -3.710 -1.364) 4.310 23.358 ( 0.690 -0.165 -0.443) 0.836 23.402 ( 1.783 0.181 -0.700) 1.924 23.621 ( -8.827 2.086 -0.792) 9.104 24.380 ( 9.752 -6.799 1.088) 11.938 24.444 ( -4.180 0.199 0.469) 4.211 24.581 ( 0.106 -2.527 0.548) 2.588 24.715 ( 4.390 5.776 -4.665) 8.625 25.131 ( -0.246 -5.729 5.325) 7.825 ======================= Grid point 71 (29/90) ======================= q-point: ( 0.14 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.664 ( 12.420 9.887 10.114) 18.823 0.971 ( 8.331 20.484 15.805) 27.181 1.369 ( 10.860 4.738 9.032) 14.899 1.515 ( 11.735 10.490 20.742) 26.039 1.788 ( -4.717 11.746 -2.701) 12.943 1.915 ( 2.211 7.234 -5.716) 9.481 2.094 ( 2.452 12.600 -0.307) 12.840 2.220 ( -0.013 -0.314 0.268) 0.413 2.346 ( 4.547 12.120 -1.489) 13.030 2.460 ( 3.327 3.027 0.998) 4.608 2.535 ( 3.221 -1.392 0.697) 3.577 2.631 ( 1.909 6.365 5.682) 8.743 2.730 ( -0.251 2.866 -1.569) 3.277 2.904 ( -2.276 -4.686 -3.768) 6.429 2.978 ( -0.130 3.518 0.668) 3.584 3.098 ( 0.056 -2.192 0.129) 2.196 3.129 ( -1.799 0.014 1.027) 2.071 3.255 ( -0.708 -0.085 3.139) 3.219 3.311 ( 3.257 -0.245 1.450) 3.574 3.404 ( -0.250 2.704 -3.545) 4.465 3.473 ( -0.792 4.530 -1.468) 4.828 3.594 ( 3.076 -3.707 -1.159) 4.955 3.652 ( -0.403 -2.121 -2.341) 3.185 3.717 ( 0.514 2.534 -0.599) 2.654 3.806 ( 0.752 0.391 -0.707) 1.103 3.900 ( 2.538 -3.808 -1.004) 4.685 3.988 ( 0.211 -2.349 -0.534) 2.419 4.072 ( -2.247 -1.310 -1.222) 2.873 4.155 ( -2.633 2.622 1.286) 3.932 4.219 ( 0.911 1.843 -3.084) 3.707 4.267 ( -3.213 0.426 3.608) 4.850 4.313 ( -0.266 1.429 1.588) 2.153 4.380 ( -0.453 0.150 -2.052) 2.106 4.527 ( -1.244 -0.794 -3.207) 3.530 4.612 ( -0.370 2.224 -1.576) 2.751 4.669 ( 0.299 -0.102 -4.515) 4.526 4.730 ( 1.040 -1.370 0.010) 1.720 4.810 ( -0.431 2.612 -1.206) 2.909 4.959 ( 1.425 -0.143 0.755) 1.619 5.159 ( -3.575 7.153 -3.229) 8.624 5.322 ( -3.403 6.210 5.152) 8.757 5.400 ( -2.776 0.279 -3.494) 4.472 5.541 ( -0.198 -0.406 -0.028) 0.453 5.665 ( 2.095 -2.246 5.050) 5.911 5.845 ( 1.887 0.147 -0.199) 1.904 6.021 ( -4.984 -4.131 0.423) 6.488 6.237 ( 0.463 2.208 3.165) 3.887 6.766 ( -11.948 -14.481 1.399) 18.826 8.475 ( 1.602 3.374 -0.407) 3.757 8.745 ( 0.601 2.881 -2.246) 3.702 8.876 ( -1.797 -3.462 3.925) 5.533 9.132 ( 1.187 -1.405 -0.293) 1.862 9.289 ( 0.849 3.256 1.756) 3.796 9.530 ( -2.478 -0.048 -1.378) 2.836 9.961 ( -2.139 0.148 -0.862) 2.311 10.304 ( 2.484 -3.120 -0.019) 3.988 10.588 ( 1.161 5.969 -2.878) 6.727 10.699 ( 0.237 0.389 -3.877) 3.904 10.914 ( 1.906 -7.541 -0.716) 7.811 11.208 ( -8.972 1.426 1.197) 9.163 11.440 ( -0.301 -2.933 2.605) 3.934 11.498 ( -1.107 6.006 0.953) 6.181 11.538 ( -4.514 5.147 -0.175) 6.848 11.702 ( -2.368 1.127 1.477) 3.010 11.892 ( 0.256 8.465 -1.359) 8.577 12.301 ( -1.794 0.258 5.791) 6.068 12.822 ( 8.288 -14.451 -1.517) 16.728 13.097 ( 3.834 -7.023 -0.016) 8.001 21.818 ( 0.206 2.097 -0.319) 2.131 21.843 ( -0.095 -0.336 0.671) 0.756 22.107 ( -2.526 17.642 -6.120) 18.843 22.370 ( 2.029 0.466 1.200) 2.402 22.432 ( -0.632 3.907 -3.095) 5.024 22.816 ( -5.320 0.427 5.887) 7.946 22.979 ( -0.359 3.512 -0.131) 3.532 23.183 ( 2.838 -2.898 -0.331) 4.069 23.357 ( -1.883 1.168 1.412) 2.627 23.395 ( -4.912 3.697 3.811) 7.233 23.463 ( 0.631 1.662 0.396) 1.821 24.228 ( -9.944 -2.724 2.090) 10.520 24.464 ( -0.303 0.258 0.591) 0.713 24.591 ( -0.542 -1.388 -0.295) 1.519 24.916 ( 8.545 -1.098 -5.090) 10.007 25.085 ( -3.593 -8.574 1.450) 9.409 ======================= Grid point 72 (30/90) ======================= q-point: ( 0.29 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( 21.361 5.341 5.515) 22.699 1.139 ( 8.420 19.993 11.476) 24.542 1.520 ( 3.124 8.580 2.247) 9.403 1.697 ( 4.319 4.406 7.460) 9.681 1.766 ( 3.400 8.223 6.955) 11.294 1.983 ( 4.155 9.322 -5.766) 11.722 2.153 ( 4.473 9.210 2.417) 10.520 2.230 ( 1.314 0.037 0.330) 1.355 2.417 ( 2.541 13.863 1.507) 14.174 2.488 ( -2.325 3.065 -2.527) 4.603 2.559 ( 0.174 5.021 0.781) 5.084 2.669 ( 0.909 3.559 1.973) 4.170 2.758 ( 3.249 -1.838 -2.863) 4.704 2.855 ( -0.533 -1.405 2.911) 3.276 3.008 ( 0.304 -0.052 -6.342) 6.349 3.070 ( -0.537 2.800 -0.570) 2.908 3.131 ( 1.952 1.121 0.604) 2.331 3.219 ( -1.394 3.883 2.815) 4.995 3.380 ( 0.428 0.370 1.549) 1.649 3.437 ( 5.131 -3.194 0.841) 6.102 3.503 ( 2.459 -2.033 0.259) 3.201 3.602 ( -0.093 -1.575 -1.308) 2.049 3.677 ( 2.090 -1.609 -2.079) 3.358 3.751 ( 4.043 0.869 0.735) 4.200 3.828 ( 0.936 -0.765 1.755) 2.131 3.924 ( -0.517 -0.756 -2.823) 2.968 3.971 ( -1.660 -2.166 1.583) 3.155 4.031 ( -2.661 -2.045 -0.724) 3.433 4.114 ( -1.779 2.703 1.543) 3.585 4.169 ( -3.669 1.522 -1.000) 4.096 4.262 ( 0.668 1.137 -1.691) 2.144 4.326 ( 1.031 -0.509 1.623) 1.988 4.381 ( 0.702 0.310 0.494) 0.913 4.537 ( 2.035 -1.117 2.322) 3.284 4.608 ( 0.576 1.131 -1.923) 2.304 4.650 ( -1.226 3.336 -5.471) 6.524 4.725 ( -1.589 0.180 0.387) 1.646 4.832 ( 2.042 2.998 -2.303) 4.297 4.998 ( 2.403 0.290 2.798) 3.700 5.098 ( -2.783 5.111 -2.414) 6.300 5.261 ( -1.960 6.720 6.414) 9.494 5.359 ( -1.639 -2.928 -2.814) 4.379 5.504 ( -3.606 1.385 -4.434) 5.881 5.679 ( -0.988 -4.126 3.395) 5.434 5.837 ( -2.824 -4.296 -3.356) 6.140 5.971 ( -0.339 2.832 -2.701) 3.929 6.245 ( 0.301 3.163 2.993) 4.365 6.527 ( -12.015 -10.017 3.630) 16.059 8.512 ( 2.168 4.531 0.022) 5.023 8.757 ( 0.378 -0.440 -0.670) 0.886 8.882 ( 2.138 2.839 4.608) 5.819 9.145 ( -0.257 1.720 0.214) 1.752 9.307 ( 1.215 -0.928 0.178) 1.540 9.473 ( -3.179 0.938 0.018) 3.315 9.900 ( -3.728 1.016 -0.332) 3.879 10.363 ( 3.587 -5.426 -0.370) 6.515 10.598 ( -0.870 3.992 -1.621) 4.396 10.706 ( 1.546 -0.183 -3.707) 4.020 10.954 ( 1.639 -7.835 -1.480) 8.140 11.058 ( -5.963 1.260 -0.154) 6.097 11.403 ( -3.911 -3.341 2.183) 5.588 11.418 ( -4.303 7.363 -1.995) 8.758 11.507 ( -0.599 0.770 2.153) 2.364 11.678 ( -0.478 2.694 1.396) 3.072 11.901 ( -0.159 7.609 3.722) 8.472 12.276 ( -0.612 0.373 2.183) 2.298 12.934 ( 4.576 -8.100 -5.230) 10.672 13.159 ( 1.991 -9.931 -0.094) 10.129 21.821 ( 0.151 2.349 -0.488) 2.404 21.844 ( 0.182 -0.068 0.776) 0.800 22.054 ( -2.483 17.350 -3.318) 17.838 22.402 ( 0.752 -0.264 0.433) 0.907 22.423 ( 0.302 3.092 -1.501) 3.450 22.722 ( -4.150 2.564 10.515) 11.591 22.988 ( 0.874 3.975 0.134) 4.072 23.223 ( 1.018 -1.122 0.419) 1.572 23.286 ( -2.475 3.528 6.168) 7.524 23.413 ( 3.388 0.081 -0.870) 3.499 23.517 ( 3.710 -1.186 -0.628) 3.945 24.054 ( -9.213 -1.227 -1.132) 9.363 24.448 ( -1.136 0.809 1.016) 1.725 24.571 ( -1.243 1.022 -0.376) 1.653 24.957 ( -1.979 -5.643 0.587) 6.009 25.078 ( 2.374 -5.531 -4.916) 7.772 ======================= Grid point 73 (31/90) ======================= q-point: ( 0.43 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( 4.248 22.021 6.974) 23.486 1.385 ( 13.992 4.856 8.973) 17.317 1.532 ( 1.888 13.782 1.569) 13.999 1.741 ( -5.868 -1.149 2.345) 6.422 1.781 ( 2.926 3.747 2.604) 5.421 2.031 ( 1.414 7.691 -5.945) 9.823 2.181 ( -4.925 6.112 -1.818) 8.057 2.261 ( 1.541 8.713 -1.299) 8.943 2.377 ( -0.607 3.083 4.532) 5.514 2.510 ( 0.184 7.466 4.459) 8.698 2.589 ( 4.511 5.050 -0.336) 6.780 2.664 ( -1.937 3.636 1.751) 4.476 2.788 ( 0.222 -0.422 -7.387) 7.403 2.873 ( 1.324 1.549 1.143) 2.336 2.986 ( -1.013 -0.580 -5.053) 5.186 3.067 ( 0.386 0.488 -3.241) 3.300 3.144 ( -1.316 4.973 2.033) 5.531 3.286 ( 5.816 1.938 1.177) 6.242 3.357 ( -1.708 -1.180 0.353) 2.106 3.526 ( 0.958 -5.269 1.616) 5.594 3.529 ( 2.413 -2.813 1.097) 3.865 3.599 ( -0.254 -1.037 1.586) 1.912 3.687 ( -1.891 1.165 1.221) 2.535 3.820 ( -0.583 -1.387 1.159) 1.899 3.858 ( 2.116 -0.348 -1.768) 2.779 3.906 ( 2.958 -0.206 -2.466) 3.857 3.949 ( -2.282 -2.236 1.253) 3.432 3.991 ( -0.258 -0.708 8.118) 8.153 4.085 ( 0.050 3.809 0.566) 3.851 4.120 ( -1.533 2.121 -2.350) 3.517 4.267 ( -0.542 0.023 -0.923) 1.071 4.311 ( -1.268 -0.915 3.140) 3.507 4.441 ( 3.806 1.025 0.748) 4.012 4.558 ( -1.543 1.134 0.062) 1.916 4.613 ( 1.469 0.613 -1.615) 2.267 4.651 ( 1.877 -0.238 1.143) 2.210 4.734 ( 2.450 1.667 -2.607) 3.947 4.856 ( 0.782 0.833 -0.472) 1.236 5.019 ( -3.007 1.179 -1.672) 3.637 5.080 ( 3.762 2.174 4.256) 6.082 5.262 ( 0.038 3.949 8.269) 9.164 5.334 ( -1.183 -1.338 -5.957) 6.219 5.436 ( -1.125 1.363 -4.896) 5.206 5.631 ( -3.471 -5.709 -1.682) 6.890 5.776 ( -2.810 -2.889 -5.614) 6.912 5.966 ( -0.400 5.061 -6.433) 8.194 6.252 ( 0.319 3.880 2.781) 4.784 6.360 ( -5.762 -7.010 5.361) 10.540 8.545 ( 1.138 5.875 0.205) 5.988 8.761 ( 0.215 -1.542 1.130) 1.924 8.934 ( 2.361 5.323 4.366) 7.278 9.134 ( -0.481 3.971 0.648) 4.052 9.315 ( -0.723 -2.582 -2.457) 3.637 9.434 ( -0.516 0.210 1.681) 1.771 9.847 ( -1.596 1.624 -0.249) 2.291 10.415 ( 1.360 -6.580 -0.633) 6.749 10.573 ( -0.670 3.074 -0.658) 3.214 10.748 ( 2.487 -1.672 -2.521) 3.916 10.921 ( -4.165 -2.353 -3.993) 6.231 11.024 ( 1.009 -3.060 -0.900) 3.345 11.325 ( -4.131 -2.111 2.247) 5.155 11.358 ( -1.837 4.094 -2.123) 4.964 11.506 ( 0.654 -0.115 1.990) 2.098 11.681 ( 0.689 3.375 0.311) 3.458 11.879 ( -2.264 6.205 5.933) 8.879 12.289 ( 1.770 1.329 0.409) 2.251 13.001 ( 2.810 -6.612 -4.643) 8.554 13.171 ( -0.421 -9.204 0.008) 9.213 21.822 ( -0.046 2.307 -0.571) 2.377 21.850 ( 0.397 0.451 0.870) 1.057 22.018 ( -1.190 15.696 -1.869) 15.851 22.395 ( -0.769 1.039 -1.177) 1.748 22.447 ( 1.501 0.753 0.862) 1.888 22.681 ( -0.742 2.966 12.232) 12.608 23.001 ( 0.483 4.311 0.324) 4.350 23.224 ( -0.665 0.538 0.036) 0.856 23.258 ( -1.309 1.577 3.404) 3.973 23.484 ( 3.703 -0.549 -0.996) 3.873 23.570 ( 0.805 -1.671 0.416) 1.901 23.903 ( -5.312 0.712 -4.111) 6.755 24.433 ( -0.339 0.764 1.179) 1.446 24.554 ( -0.431 1.642 -0.609) 1.803 24.923 ( -1.297 -8.182 -1.724) 8.462 25.115 ( 1.545 -3.312 -2.153) 4.241 ======================= Grid point 74 (32/90) ======================= q-point: (-0.43 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( -3.398 22.344 7.959) 23.962 1.440 ( -6.340 10.559 9.451) 15.524 1.479 ( -10.770 3.054 3.243) 11.655 1.718 ( 1.239 7.290 4.553) 8.684 1.831 ( 4.371 5.293 -1.197) 6.968 2.025 ( -1.829 2.023 -1.716) 3.223 2.096 ( -1.030 6.977 -6.575) 9.642 2.277 ( 0.228 8.401 -0.049) 8.405 2.399 ( -0.147 6.620 2.916) 7.236 2.452 ( -3.101 1.841 0.151) 3.609 2.621 ( -2.099 3.819 0.989) 4.468 2.660 ( -1.160 2.737 0.463) 3.008 2.782 ( 1.794 3.535 -6.213) 7.370 2.839 ( -4.884 4.395 1.175) 6.674 2.982 ( -1.105 0.971 -3.949) 4.214 3.086 ( 1.577 1.647 -2.190) 3.161 3.129 ( 0.093 3.467 3.007) 4.590 3.316 ( -1.150 -0.240 -1.605) 1.989 3.352 ( 0.025 -0.622 1.064) 1.232 3.451 ( -3.771 -3.945 -2.602) 6.046 3.562 ( 0.190 -4.080 2.997) 5.066 3.630 ( -2.772 -1.046 2.845) 4.108 3.681 ( 4.201 -1.174 0.507) 4.391 3.784 ( -2.073 -0.403 3.010) 3.677 3.833 ( -3.232 2.434 0.216) 4.052 3.888 ( -2.235 -1.092 -1.498) 2.904 3.992 ( 2.361 -2.298 2.853) 4.358 4.017 ( 1.889 -0.099 3.902) 4.337 4.101 ( 0.203 3.014 -3.394) 4.543 4.163 ( 5.026 -0.668 2.185) 5.521 4.224 ( -2.709 -0.571 -0.575) 2.828 4.313 ( 2.074 0.783 4.508) 5.024 4.468 ( -1.502 2.222 -0.195) 2.689 4.533 ( -0.279 2.885 0.541) 2.949 4.639 ( 0.929 -1.886 -0.389) 2.138 4.728 ( 4.240 -1.038 1.586) 4.644 4.769 ( 2.050 1.213 -3.787) 4.474 4.862 ( -0.732 -1.209 -1.023) 1.745 4.949 ( -2.171 -0.889 -1.689) 2.891 5.192 ( 5.891 1.027 6.176) 8.597 5.239 ( -0.672 0.532 6.532) 6.588 5.303 ( -1.558 3.366 -5.372) 6.529 5.469 ( 2.464 -1.721 -3.310) 4.471 5.606 ( 1.747 -2.372 -3.649) 4.690 5.720 ( -3.200 -1.429 -5.715) 6.704 5.980 ( 3.552 4.556 -6.886) 8.988 6.263 ( 0.652 6.258 0.911) 6.357 6.307 ( -0.576 -6.135 6.668) 9.080 8.549 ( -0.775 6.378 0.134) 6.426 8.766 ( 0.120 -1.123 1.105) 1.580 8.959 ( 0.295 4.537 5.688) 7.282 9.134 ( 0.307 3.453 0.644) 3.526 9.288 ( -1.491 -0.875 -3.216) 3.651 9.453 ( 2.031 -0.312 1.839) 2.758 9.841 ( 0.942 1.947 -0.358) 2.192 10.401 ( -2.602 -6.544 -0.874) 7.096 10.587 ( 1.657 3.057 -0.180) 3.482 10.770 ( -0.836 -1.910 -4.565) 5.019 10.867 ( 0.121 -0.631 -2.880) 2.951 11.042 ( 0.679 -4.259 -1.160) 4.466 11.252 ( -2.938 -1.477 1.756) 3.728 11.361 ( 1.851 2.166 -1.007) 3.022 11.533 ( 1.918 0.317 1.957) 2.758 11.700 ( 1.159 4.391 -0.740) 4.601 11.832 ( -2.766 4.994 5.312) 7.798 12.335 ( 3.033 0.554 2.115) 3.739 13.026 ( -0.353 -7.888 -5.795) 9.794 13.155 ( -0.904 -7.669 0.926) 7.777 21.819 ( -0.179 2.108 -0.490) 2.172 21.857 ( 0.278 0.551 0.891) 1.084 22.009 ( 0.353 15.237 -1.843) 15.353 22.379 ( -0.871 0.653 -0.651) 1.269 22.468 ( 0.588 1.012 0.225) 1.192 22.711 ( 3.452 2.879 13.927) 14.635 23.006 ( 0.086 4.831 0.746) 4.889 23.199 ( -2.053 1.799 -0.630) 2.801 23.231 ( -1.654 0.010 1.281) 2.092 23.508 ( -3.439 -0.387 0.188) 3.465 23.551 ( 0.510 -1.227 -0.194) 1.343 23.888 ( 2.953 1.135 -4.457) 5.466 24.437 ( 0.586 0.732 1.252) 1.564 24.557 ( 0.839 1.468 -0.557) 1.780 24.909 ( -0.081 -7.670 -1.974) 7.921 25.129 ( -0.027 -3.451 -1.856) 3.919 ======================= Grid point 75 (33/90) ======================= q-point: (-0.29 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( -12.488 15.380 14.263) 24.412 1.172 ( -16.538 9.521 10.543) 21.801 1.356 ( -6.293 7.688 1.416) 10.035 1.712 ( -2.894 14.506 8.054) 16.842 1.815 ( -5.828 6.534 5.694) 10.444 1.996 ( -1.737 6.805 -4.086) 8.125 2.089 ( -0.305 3.600 -6.250) 7.219 2.279 ( -1.046 6.766 -2.176) 7.183 2.336 ( -2.318 4.303 1.041) 4.998 2.469 ( 1.452 2.879 -1.327) 3.487 2.551 ( -7.370 1.490 0.048) 7.520 2.593 ( -1.436 4.426 1.336) 4.841 2.742 ( -3.565 6.149 -0.426) 7.120 2.844 ( 3.447 3.318 -0.503) 4.810 2.967 ( 0.882 2.850 -2.431) 3.848 3.077 ( -1.922 0.399 0.784) 2.114 3.160 ( 2.846 2.640 2.313) 4.519 3.299 ( -0.522 -1.868 -0.181) 1.948 3.347 ( 0.005 1.536 -4.777) 5.018 3.424 ( -2.450 -2.096 1.608) 3.603 3.492 ( -5.802 -1.977 0.979) 6.207 3.578 ( -1.386 -2.473 -0.581) 2.893 3.715 ( 0.403 -0.138 -0.920) 1.014 3.776 ( -2.416 -0.719 2.772) 3.747 3.819 ( 2.056 1.430 3.791) 4.543 3.860 ( 0.274 -3.029 0.168) 3.046 3.993 ( -0.659 0.208 0.281) 0.746 4.055 ( 0.994 0.191 -0.275) 1.049 4.092 ( -0.556 -0.625 -3.133) 3.242 4.140 ( -1.052 -2.324 -0.573) 2.615 4.255 ( -0.127 0.127 0.999) 1.015 4.377 ( -1.981 1.695 1.739) 3.134 4.436 ( 3.951 1.724 1.726) 4.644 4.561 ( 3.727 4.015 1.147) 5.597 4.638 ( -0.856 -1.049 -0.850) 1.599 4.746 ( -0.651 -4.925 -1.959) 5.340 4.809 ( 0.634 -0.569 -4.697) 4.774 4.866 ( 0.991 1.749 -1.240) 2.362 4.933 ( -0.755 -3.468 4.257) 5.542 5.219 ( -0.817 1.620 -4.575) 4.922 5.271 ( 3.289 5.061 -3.329) 6.893 5.351 ( 5.290 -3.980 11.388) 13.172 5.514 ( 2.279 -1.028 -3.770) 4.524 5.630 ( -1.063 -0.400 -5.724) 5.835 5.674 ( 0.315 -0.891 0.241) 0.975 6.095 ( 7.080 1.682 0.149) 7.279 6.262 ( -0.759 -1.369 3.629) 3.953 6.362 ( 7.274 5.411 0.764) 9.098 8.522 ( -1.848 5.381 -0.104) 5.690 8.755 ( -1.314 1.206 -0.351) 1.818 8.971 ( 0.932 0.213 7.214) 7.277 9.137 ( -0.092 1.397 0.194) 1.413 9.265 ( -0.924 2.328 -2.008) 3.210 9.497 ( 2.433 0.595 0.880) 2.654 9.879 ( 2.966 1.768 -0.618) 3.508 10.333 ( -4.185 -5.650 -0.974) 7.098 10.605 ( -0.093 3.972 -0.868) 4.067 10.730 ( -2.356 2.155 -9.491) 10.014 10.932 ( 6.035 -3.046 3.341) 7.541 11.030 ( -1.533 -5.956 -0.182) 6.153 11.253 ( 3.110 0.266 1.353) 3.402 11.408 ( 2.889 2.018 -0.622) 3.579 11.571 ( 1.851 1.809 2.299) 3.462 11.712 ( -0.302 7.346 0.067) 7.352 11.794 ( -0.876 1.757 1.765) 2.640 12.402 ( 3.988 -1.834 5.763) 7.244 12.965 ( -6.168 -10.121 -8.091) 14.351 13.140 ( -1.122 -6.645 1.416) 6.887 21.816 ( -0.161 1.878 -0.368) 1.920 21.859 ( -0.151 0.125 0.885) 0.906 22.032 ( 2.229 16.389 -3.168) 16.841 22.361 ( -1.040 0.432 -0.047) 1.127 22.469 ( -0.372 1.996 -0.656) 2.134 22.813 ( 5.838 0.312 12.086) 13.425 23.020 ( 2.090 5.407 3.043) 6.547 23.148 ( -3.035 2.845 -0.441) 4.184 23.208 ( -0.181 -0.560 -0.040) 0.590 23.436 ( -3.094 0.433 0.635) 3.188 23.569 ( 1.202 -0.431 1.993) 2.367 23.961 ( 4.434 1.560 -3.966) 6.150 24.452 ( 0.969 0.890 1.061) 1.691 24.578 ( 1.097 0.529 -0.267) 1.246 24.913 ( -0.127 -5.826 -1.279) 5.966 25.111 ( -1.528 -4.033 -3.083) 5.302 ======================= Grid point 76 (34/90) ======================= q-point: (-0.14 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.880 ( -13.540 11.430 14.698) 23.022 0.921 ( -9.513 12.603 18.826) 24.571 1.236 ( -6.034 18.992 7.733) 21.376 1.486 ( -14.826 2.629 16.154) 22.083 1.835 ( 3.873 14.769 0.277) 15.271 1.970 ( 0.296 9.887 -5.945) 11.541 2.043 ( -4.597 4.355 -6.149) 8.826 2.247 ( -1.456 3.066 -3.245) 4.696 2.301 ( -2.609 4.792 3.973) 6.750 2.425 ( -3.455 5.150 0.415) 6.215 2.488 ( 0.106 1.786 2.364) 2.965 2.599 ( 1.519 3.965 1.125) 4.393 2.712 ( -0.675 6.397 -3.300) 7.230 2.902 ( 2.578 0.030 0.637) 2.656 3.007 ( 1.971 -0.417 0.238) 2.029 3.046 ( 0.040 1.150 1.240) 1.692 3.206 ( -1.179 -2.299 -0.689) 2.674 3.245 ( -4.696 -1.366 3.284) 5.891 3.333 ( 2.289 1.722 -2.296) 3.671 3.390 ( 0.123 1.547 -1.558) 2.199 3.470 ( 1.187 0.468 -0.682) 1.446 3.551 ( -1.180 1.181 -0.997) 1.945 3.675 ( -5.184 -0.924 0.683) 5.310 3.738 ( 0.654 1.992 -2.060) 2.939 3.827 ( -1.352 -3.378 1.956) 4.131 3.904 ( 0.921 -1.949 -1.676) 2.730 3.973 ( -0.824 0.760 -0.451) 1.208 4.064 ( 2.379 -3.131 -0.989) 4.055 4.122 ( 3.129 0.421 0.292) 3.171 4.158 ( 1.742 1.712 -0.214) 2.452 4.236 ( 0.416 -0.367 0.897) 1.055 4.342 ( -1.250 2.237 1.164) 2.815 4.478 ( 0.010 3.017 -0.436) 3.049 4.583 ( -3.037 -0.963 -4.028) 5.135 4.652 ( 1.758 -0.307 -2.927) 3.428 4.731 ( -1.030 -3.531 -2.262) 4.318 4.812 ( -1.522 -1.033 0.936) 2.064 4.830 ( -2.956 -2.761 -2.693) 4.859 4.931 ( 0.607 -2.379 3.154) 3.997 5.206 ( 0.302 5.724 -4.960) 7.580 5.371 ( 5.475 2.346 1.939) 6.264 5.417 ( 0.946 -0.352 1.252) 1.608 5.523 ( -0.641 -2.966 -2.247) 3.776 5.600 ( -0.938 0.420 -3.164) 3.327 5.724 ( 3.855 -1.064 4.033) 5.679 6.174 ( 1.093 -0.407 1.767) 2.117 6.238 ( -2.002 -6.126 6.840) 9.398 6.608 ( 17.550 4.383 -0.376) 18.093 8.486 ( -1.883 3.670 -0.562) 4.163 8.735 ( -0.304 3.142 -1.487) 3.490 8.975 ( -1.641 -5.873 3.759) 7.163 9.154 ( 2.530 2.441 0.946) 3.640 9.240 ( -2.012 3.684 -0.042) 4.198 9.537 ( 1.705 0.035 -0.848) 1.904 9.939 ( 3.016 0.484 -0.567) 3.106 10.266 ( -2.249 -2.357 -0.680) 3.328 10.599 ( -0.078 6.526 -1.678) 6.739 10.683 ( -1.835 2.893 -8.386) 9.059 10.948 ( -3.027 -7.934 0.690) 8.520 11.143 ( 11.963 -0.835 5.546) 13.212 11.337 ( 4.636 0.921 1.727) 5.032 11.461 ( 2.748 2.780 -0.683) 3.968 11.593 ( 0.244 6.813 3.051) 7.469 11.699 ( 0.148 4.073 1.114) 4.226 11.807 ( 2.103 1.646 -2.636) 3.752 12.484 ( 3.896 -5.033 8.560) 10.667 12.774 ( -14.027 -11.588 -5.945) 19.141 13.104 ( -2.733 -5.661 0.665) 6.322 21.814 ( -0.029 1.744 -0.271) 1.765 21.854 ( -0.412 -0.217 0.795) 0.921 22.086 ( 3.431 17.217 -5.885) 18.515 22.342 ( -0.892 0.686 0.704) 1.327 22.458 ( -0.669 3.001 -1.643) 3.486 22.878 ( 0.756 -1.724 3.507) 3.980 23.053 ( -1.329 0.758 1.094) 1.881 23.120 ( 0.445 -1.761 -0.744) 1.963 23.278 ( 7.527 3.152 2.243) 8.463 23.397 ( -1.166 0.851 0.363) 1.489 23.628 ( 5.160 0.683 4.858) 7.120 24.071 ( 10.244 4.217 0.507) 11.089 24.469 ( 0.632 0.822 0.744) 1.276 24.592 ( 0.410 -1.476 -0.291) 1.560 24.842 ( -8.551 -2.552 -4.580) 10.030 25.105 ( 1.510 -4.126 0.945) 4.495 ======================= Grid point 77 (35/90) ======================= q-point: ( 0.00 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( -0.965 9.927 10.946) 14.808 1.029 ( -4.561 7.060 2.981) 8.918 1.387 ( 1.006 9.107 16.094) 18.520 1.781 ( 3.492 17.793 1.448) 18.191 1.952 ( -3.709 0.167 -1.311) 3.938 2.017 ( -1.863 4.187 -0.595) 4.621 2.175 ( 2.606 7.310 0.908) 7.814 2.312 ( 4.400 1.494 0.896) 4.732 2.506 ( 0.331 2.265 0.266) 2.305 2.543 ( 0.420 12.257 1.255) 12.329 2.648 ( -1.508 4.991 -0.170) 5.217 2.736 ( -1.709 -0.241 -4.652) 4.962 2.786 ( 1.510 8.293 -0.932) 8.481 2.893 ( -0.497 4.038 -2.987) 5.047 2.994 ( 1.886 -1.066 0.114) 2.169 3.097 ( -1.184 1.143 0.933) 1.892 3.113 ( 1.501 0.299 -1.507) 2.148 3.168 ( -1.420 0.381 1.476) 2.083 3.384 ( -0.477 0.405 -2.545) 2.621 3.421 ( -1.066 2.343 -3.381) 4.249 3.483 ( 0.998 -2.068 0.039) 2.296 3.561 ( 0.987 -1.767 1.294) 2.402 3.728 ( -0.387 6.261 2.013) 6.588 3.768 ( -0.057 -0.956 -2.421) 2.604 3.829 ( 1.299 4.865 -1.039) 5.142 3.878 ( -0.734 4.851 -0.902) 4.988 3.943 ( -2.238 -0.059 0.963) 2.437 4.081 ( 0.825 -0.930 -4.213) 4.392 4.106 ( 0.864 -4.913 1.287) 5.152 4.235 ( 3.332 0.446 4.776) 5.840 4.298 ( -1.070 3.218 0.869) 3.501 4.362 ( -2.004 0.285 1.877) 2.760 4.480 ( -3.611 1.674 -0.379) 3.998 4.538 ( -0.244 -0.897 -3.429) 3.553 4.609 ( 2.823 1.277 -4.448) 5.421 4.707 ( -2.241 1.713 -1.239) 3.081 4.762 ( -0.463 3.148 -1.935) 3.724 4.871 ( 2.497 1.857 3.623) 4.776 4.915 ( -0.208 0.612 -1.695) 1.814 5.250 ( 1.109 -5.876 5.123) 7.874 5.351 ( -2.029 -2.732 -0.276) 3.414 5.466 ( -0.479 2.584 0.873) 2.770 5.611 ( 2.872 4.293 -4.178) 6.644 5.634 ( -1.671 1.033 3.020) 3.603 5.730 ( 1.043 -2.332 -1.167) 2.809 5.970 ( -0.272 -3.438 6.773) 7.601 6.302 ( 0.619 3.089 -1.982) 3.722 6.596 ( -1.955 -12.255 -3.129) 12.798 8.520 ( -0.229 2.197 -0.128) 2.213 8.724 ( -0.876 -4.403 0.251) 4.496 8.855 ( -0.010 1.299 -0.033) 1.300 9.151 ( -3.657 -0.849 -3.856) 5.382 9.294 ( 2.427 1.279 2.946) 4.025 9.517 ( -0.479 -2.837 -1.115) 3.085 10.008 ( 0.087 3.059 -1.086) 3.247 10.246 ( 0.627 -1.019 -0.261) 1.225 10.696 ( -1.172 3.597 -4.322) 5.744 10.745 ( 0.335 2.810 -1.829) 3.370 10.830 ( -0.389 0.441 -1.956) 2.043 11.275 ( 2.405 -1.859 4.666) 5.569 11.411 ( 1.219 -0.227 -1.512) 1.955 11.510 ( 1.339 -1.628 0.318) 2.132 11.725 ( -1.376 1.403 -1.331) 2.374 11.783 ( -0.756 7.368 3.943) 8.391 11.981 ( 5.629 4.128 -3.016) 7.604 12.352 ( -1.239 -8.676 7.559) 11.573 12.450 ( -3.223 0.515 2.676) 4.221 12.948 ( -0.159 -6.628 -0.595) 6.657 21.833 ( -0.063 -0.016 0.473) 0.478 21.858 ( -0.118 0.995 0.087) 1.006 22.368 ( 0.187 5.401 -0.206) 5.409 22.409 ( 0.253 6.588 0.516) 6.613 22.552 ( 0.470 5.930 -3.863) 7.093 22.860 ( -0.528 -0.327 1.595) 1.712 23.026 ( -0.787 -0.897 -0.655) 1.361 23.053 ( 1.147 -3.077 -0.935) 3.414 23.355 ( 0.949 -0.113 -0.709) 1.190 23.399 ( 0.528 -0.388 -0.693) 0.953 23.652 ( -2.759 1.229 0.508) 3.063 24.172 ( 1.533 -10.937 1.534) 11.150 24.464 ( -1.272 1.195 0.892) 1.960 24.545 ( -0.030 -1.240 0.601) 1.378 24.840 ( 2.223 5.379 -5.483) 7.996 25.052 ( -1.164 -2.106 2.930) 3.792 ======================= Grid point 78 (36/90) ======================= q-point: ( 0.14 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( 3.565 10.835 6.919) 13.341 1.238 ( 13.969 6.854 8.485) 17.723 1.493 ( 8.841 8.569 8.287) 14.841 1.870 ( 1.510 8.874 1.716) 9.164 1.923 ( 3.866 4.519 -1.540) 6.144 2.018 ( 2.139 6.041 -0.598) 6.436 2.236 ( 2.519 9.739 1.669) 10.197 2.410 ( 4.608 -2.189 1.178) 5.235 2.512 ( -1.642 12.441 1.214) 12.607 2.533 ( 2.256 4.522 0.767) 5.111 2.658 ( 2.294 0.393 -0.924) 2.504 2.715 ( 0.330 3.085 -2.828) 4.198 2.831 ( 2.641 5.235 -1.233) 5.992 2.877 ( -0.672 7.119 -3.097) 7.792 3.021 ( 0.668 -0.834 0.053) 1.069 3.089 ( 0.076 1.156 -1.497) 1.893 3.149 ( 1.623 6.290 -1.443) 6.654 3.197 ( 4.280 -2.492 1.481) 5.170 3.349 ( -2.218 1.195 2.858) 3.810 3.416 ( 0.340 -0.397 -2.322) 2.380 3.506 ( 1.381 -0.237 0.677) 1.556 3.602 ( 2.754 -0.682 1.198) 3.080 3.649 ( -4.863 4.749 -3.496) 7.644 3.770 ( -0.757 -1.484 -2.307) 2.846 3.822 ( -2.739 3.328 -0.403) 4.329 3.896 ( 2.250 4.912 0.755) 5.455 3.933 ( 0.772 -1.459 1.531) 2.251 4.034 ( -2.790 -1.724 -3.424) 4.741 4.153 ( 2.311 -3.863 2.094) 4.964 4.225 ( -2.976 1.323 2.165) 3.911 4.269 ( -3.343 -0.014 2.307) 4.062 4.334 ( 0.330 -0.405 0.372) 0.642 4.435 ( -0.962 4.664 -2.114) 5.210 4.527 ( -0.435 2.060 -2.064) 2.948 4.652 ( -1.291 0.087 -3.481) 3.714 4.692 ( 1.581 1.121 2.090) 2.850 4.773 ( 2.056 4.748 -1.914) 5.516 4.897 ( 0.609 3.612 -1.191) 3.852 4.947 ( 3.678 0.813 1.778) 4.165 5.217 ( -5.262 -4.912 -3.906) 8.189 5.318 ( -1.047 -3.862 7.217) 8.252 5.447 ( -1.384 2.977 0.951) 3.418 5.556 ( -5.682 -0.543 3.321) 6.603 5.647 ( 0.467 1.304 -5.205) 5.386 5.760 ( 1.320 -1.759 -1.483) 2.653 5.980 ( 1.224 -0.130 5.392) 5.530 6.301 ( -1.019 1.281 -1.678) 2.344 6.504 ( -6.503 -9.335 -1.892) 11.533 8.545 ( 2.651 2.584 0.048) 3.702 8.724 ( 0.755 -3.082 -0.082) 3.174 8.872 ( 1.893 1.853 0.361) 2.674 9.113 ( 0.388 -0.142 -2.330) 2.367 9.333 ( 0.866 0.703 1.125) 1.584 9.505 ( -0.669 -2.324 -0.819) 2.554 9.987 ( -2.074 2.488 -0.744) 3.324 10.247 ( -0.338 -2.392 -0.778) 2.538 10.677 ( -0.852 2.895 -4.028) 5.033 10.747 ( -0.092 2.983 -0.226) 2.993 10.832 ( 0.942 -0.004 -1.604) 1.860 11.233 ( -6.327 0.291 1.176) 6.442 11.387 ( -2.447 -1.396 1.244) 3.080 11.527 ( -0.492 -1.804 -0.146) 1.876 11.644 ( -5.459 3.423 -0.042) 6.443 11.775 ( -0.805 5.750 1.651) 6.036 12.044 ( 1.195 4.985 1.310) 5.291 12.286 ( -2.998 -2.957 6.396) 7.658 12.559 ( 10.011 -7.402 -0.957) 12.487 12.952 ( 0.457 -7.146 -0.506) 7.179 21.832 ( -0.014 -0.154 0.516) 0.538 21.861 ( 0.382 1.087 -0.098) 1.157 22.370 ( -0.223 7.301 -0.658) 7.334 22.407 ( -0.056 3.778 1.094) 3.934 22.553 ( -0.314 6.466 -3.941) 7.579 22.838 ( -1.946 1.308 2.301) 3.285 23.032 ( 1.595 0.899 -1.454) 2.338 23.106 ( 3.881 -3.296 0.455) 5.112 23.365 ( 0.714 0.182 -0.866) 1.137 23.418 ( 1.150 -0.503 0.010) 1.255 23.557 ( -6.123 5.037 1.775) 8.125 24.117 ( -5.714 -7.688 1.384) 9.678 24.464 ( 0.479 -0.089 0.632) 0.797 24.554 ( 0.949 -1.501 0.472) 1.837 24.910 ( 4.001 0.700 -4.019) 5.714 24.976 ( -6.209 -2.009 1.257) 6.645 ======================= Grid point 79 (37/90) ======================= q-point: ( 0.29 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( 16.910 5.829 3.804) 18.286 1.478 ( 10.939 11.240 8.212) 17.704 1.692 ( 11.061 7.510 1.850) 13.497 1.853 ( -1.655 2.566 0.158) 3.057 1.987 ( 0.391 12.693 -1.627) 12.802 2.095 ( 3.912 5.584 1.682) 7.022 2.273 ( 2.324 6.433 1.288) 6.960 2.430 ( 0.193 3.699 -3.561) 5.138 2.510 ( -2.296 1.582 1.564) 3.197 2.582 ( 2.703 5.399 0.668) 6.074 2.670 ( 0.621 2.834 -5.812) 6.496 2.800 ( 4.784 4.183 4.363) 7.709 2.846 ( 1.190 3.454 -1.132) 3.824 2.902 ( 2.902 11.038 -1.266) 11.483 3.020 ( -1.403 3.860 -3.744) 5.557 3.076 ( -0.488 0.176 -1.349) 1.446 3.177 ( 1.449 4.123 -0.682) 4.423 3.283 ( 2.952 -2.200 2.416) 4.404 3.347 ( 2.698 1.135 5.504) 6.234 3.419 ( 0.308 0.404 0.921) 1.052 3.532 ( 0.920 3.521 1.942) 4.125 3.564 ( -2.506 0.254 -3.266) 4.124 3.657 ( 1.583 -0.775 -0.401) 1.807 3.776 ( 1.364 -0.168 0.389) 1.428 3.791 ( 1.040 -1.864 -2.459) 3.256 3.903 ( -1.357 -3.055 -2.020) 3.906 3.935 ( -0.808 2.347 -0.290) 2.499 4.007 ( -1.033 0.472 1.999) 2.299 4.142 ( -3.649 -0.204 2.666) 4.524 4.203 ( 1.617 -1.428 0.759) 2.287 4.233 ( -0.086 -0.259 2.081) 2.098 4.351 ( 1.641 1.110 -2.771) 3.406 4.414 ( -1.920 3.218 -0.913) 3.857 4.531 ( 1.259 2.687 1.970) 3.562 4.639 ( 0.575 1.180 -1.779) 2.211 4.698 ( -1.053 -0.335 1.750) 2.070 4.800 ( 0.519 5.996 -1.058) 6.110 4.913 ( -0.499 2.616 -1.312) 2.969 5.016 ( 3.255 2.026 1.642) 4.171 5.118 ( -2.969 -4.655 -4.479) 7.109 5.286 ( -2.991 -3.417 5.556) 7.176 5.414 ( -2.900 5.954 -0.530) 6.643 5.449 ( -4.361 -5.425 2.911) 7.545 5.630 ( -1.722 1.785 -6.222) 6.698 5.762 ( -0.880 -0.856 -3.170) 3.399 6.017 ( 2.000 -0.103 4.301) 4.744 6.240 ( -5.280 -4.740 -2.111) 7.403 6.413 ( -2.420 0.668 1.181) 2.774 8.607 ( 3.637 3.172 0.355) 4.839 8.743 ( 0.906 -0.018 0.217) 0.932 8.926 ( 3.656 0.404 0.564) 3.721 9.153 ( 3.217 0.550 -1.092) 3.442 9.322 ( -1.516 1.229 -0.312) 1.977 9.487 ( -1.449 0.083 0.311) 1.485 9.939 ( -2.665 2.693 -0.652) 3.845 10.245 ( 0.365 -5.338 -1.165) 5.476 10.647 ( -2.046 1.447 -4.271) 4.952 10.748 ( 0.135 3.114 1.285) 3.371 10.859 ( 1.695 -1.018 -0.740) 2.111 11.099 ( -6.536 2.462 -0.987) 7.054 11.330 ( -3.681 -3.185 2.463) 5.455 11.490 ( -2.627 -1.723 -0.079) 3.143 11.554 ( -4.086 4.724 -0.999) 6.325 11.765 ( -0.099 5.436 0.637) 5.474 12.036 ( -1.940 4.554 7.649) 9.111 12.274 ( 1.176 -1.213 0.656) 1.812 12.727 ( 7.381 -9.235 -2.576) 12.100 12.958 ( 0.082 -8.738 -0.787) 8.774 21.833 ( 0.109 -0.154 0.557) 0.588 21.870 ( 0.569 1.133 -0.314) 1.306 22.354 ( -1.268 9.019 -0.830) 9.146 22.414 ( 0.540 2.022 0.997) 2.318 22.538 ( -0.878 6.881 -3.693) 7.858 22.796 ( -2.342 3.953 4.740) 6.601 23.070 ( 2.166 2.019 -1.538) 3.337 23.175 ( 2.827 -1.083 1.287) 3.290 23.378 ( -0.859 2.712 1.550) 3.239 23.430 ( 1.096 1.877 1.212) 2.488 23.493 ( 0.187 -0.014 0.010) 0.188 24.007 ( -5.677 -3.455 0.061) 6.646 24.463 ( -0.595 0.444 1.285) 1.484 24.577 ( 1.304 -1.380 0.126) 1.903 24.826 ( -7.246 -3.629 -1.022) 8.168 24.992 ( 3.143 -2.889 -2.795) 5.103 ======================= Grid point 80 (38/90) ======================= q-point: ( 0.43 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( 13.179 2.367 2.814) 13.683 1.656 ( 7.270 11.761 2.579) 14.065 1.792 ( -2.041 6.706 -1.817) 7.241 1.865 ( 3.338 8.206 2.881) 9.315 1.962 ( -1.225 15.475 1.388) 15.586 2.122 ( 0.172 5.587 1.894) 5.902 2.286 ( -3.104 2.072 -0.573) 3.776 2.389 ( -4.951 1.650 -0.677) 5.263 2.507 ( 5.184 5.711 -3.012) 8.280 2.587 ( -2.927 -0.146 -5.012) 5.806 2.728 ( 4.893 6.993 1.240) 8.625 2.796 ( -1.991 6.678 1.271) 7.083 2.875 ( -0.929 4.339 -4.672) 6.443 2.938 ( -0.572 3.918 0.939) 4.069 3.017 ( 3.062 8.909 -1.243) 9.503 3.089 ( 1.022 1.637 -0.498) 1.993 3.199 ( 0.902 1.139 -1.065) 1.801 3.295 ( -0.587 -2.313 4.186) 4.819 3.405 ( 1.291 3.180 4.532) 5.685 3.452 ( 2.051 0.822 -1.626) 2.743 3.526 ( -0.911 0.802 -1.418) 1.867 3.556 ( 1.541 0.386 2.546) 3.001 3.694 ( 0.963 -3.185 0.219) 3.335 3.744 ( -3.727 -2.990 -0.522) 4.806 3.833 ( 0.819 0.124 -0.400) 0.920 3.887 ( 2.499 -2.224 -1.332) 3.601 3.933 ( 0.586 0.770 0.019) 0.968 3.989 ( -0.812 0.417 6.493) 6.557 4.097 ( -1.375 -1.025 -1.829) 2.507 4.204 ( -1.997 2.296 -0.363) 3.064 4.267 ( 3.077 0.898 0.684) 3.278 4.354 ( -2.407 4.594 -0.408) 5.203 4.431 ( 4.974 -2.247 2.951) 6.205 4.569 ( 2.046 0.879 2.029) 3.012 4.612 ( -3.177 1.810 0.431) 3.682 4.706 ( 1.947 -2.175 -1.795) 3.427 4.791 ( -1.486 4.514 -0.864) 4.830 4.865 ( -2.513 2.503 0.385) 3.568 5.055 ( -1.538 1.299 0.794) 2.164 5.120 ( 3.628 -0.245 -3.863) 5.305 5.225 ( -3.374 -5.938 5.315) 8.654 5.347 ( -1.980 0.427 -0.510) 2.088 5.433 ( 1.378 1.147 0.204) 1.804 5.594 ( -1.110 3.527 -6.953) 7.875 5.737 ( -1.361 -0.755 -4.322) 4.593 6.022 ( -2.271 -2.509 1.006) 3.531 6.169 ( -0.601 -3.535 1.010) 3.725 6.395 ( -0.233 4.101 1.889) 4.521 8.673 ( 3.296 3.911 0.473) 5.137 8.746 ( -0.839 1.472 0.964) 1.949 8.988 ( 2.210 -1.050 0.296) 2.464 9.201 ( 1.313 1.655 -0.779) 2.252 9.306 ( 0.205 2.635 0.139) 2.647 9.457 ( -1.198 1.632 0.659) 2.128 9.901 ( -1.026 3.348 -0.606) 3.553 10.255 ( 0.298 -7.864 -1.152) 7.953 10.613 ( -0.865 0.635 -4.239) 4.373 10.749 ( 0.184 2.424 1.898) 3.084 10.876 ( -0.292 -0.784 -2.051) 2.215 11.020 ( -1.743 2.010 -0.479) 2.703 11.264 ( -3.046 -3.528 1.839) 5.010 11.433 ( -3.689 0.977 1.804) 4.221 11.512 ( 0.288 2.002 -3.210) 3.794 11.773 ( 0.829 5.346 -0.536) 5.436 11.994 ( -2.728 4.254 9.112) 10.419 12.306 ( 1.731 -0.462 -0.511) 1.863 12.827 ( 3.339 -8.762 -2.104) 9.610 12.954 ( -0.286 -10.018 -1.432) 10.123 21.836 ( 0.127 -0.061 0.590) 0.606 21.879 ( 0.360 1.104 -0.424) 1.236 22.330 ( -1.020 10.216 -0.764) 10.295 22.420 ( -0.132 1.901 0.194) 1.916 22.526 ( -0.138 6.384 -2.831) 6.985 22.770 ( -0.494 4.998 7.131) 8.722 23.103 ( 1.430 2.536 -0.453) 2.947 23.202 ( 0.078 2.103 -0.162) 2.111 23.337 ( -2.416 3.763 3.024) 5.399 23.473 ( 2.277 -0.438 -0.173) 2.325 23.521 ( 1.402 -2.673 0.272) 3.031 23.920 ( -2.918 0.303 -1.079) 3.126 24.450 ( -0.589 0.671 1.582) 1.817 24.594 ( 0.365 0.556 -0.035) 0.666 24.730 ( -2.438 -6.928 -3.058) 7.956 25.033 ( 1.339 -4.117 -1.285) 4.516 ======================= Grid point 81 (39/90) ======================= q-point: (-0.43 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( -9.115 2.286 2.646) 9.762 1.655 ( -5.907 12.971 2.173) 14.417 1.807 ( -3.384 14.279 1.924) 14.800 1.876 ( 3.482 6.063 4.811) 8.487 1.986 ( 2.596 7.323 0.790) 7.809 2.125 ( -0.604 9.860 -0.829) 9.913 2.187 ( -2.962 3.555 -2.874) 5.447 2.379 ( 1.852 1.066 -1.651) 2.701 2.497 ( -5.369 0.690 -3.666) 6.538 2.601 ( 4.263 6.261 -3.217) 8.229 2.700 ( -5.973 3.663 2.492) 7.437 2.789 ( -3.137 8.685 -3.884) 10.018 2.855 ( 1.750 2.508 0.500) 3.099 2.944 ( -0.572 7.269 -1.574) 7.459 3.060 ( 1.387 1.945 1.968) 3.095 3.099 ( 0.546 3.244 0.141) 3.293 3.216 ( 0.762 0.881 0.457) 1.251 3.289 ( -0.521 -0.111 1.875) 1.949 3.384 ( -2.124 1.689 -6.726) 7.253 3.428 ( -4.757 3.506 2.225) 6.314 3.497 ( -0.820 -0.570 3.837) 3.964 3.595 ( 0.746 0.487 1.899) 2.098 3.684 ( 1.254 -0.051 -0.267) 1.283 3.740 ( 1.908 -3.788 1.203) 4.409 3.835 ( -1.656 -1.069 -0.425) 2.017 3.912 ( -0.706 3.353 1.846) 3.892 3.962 ( 2.173 -0.560 -0.019) 2.244 4.001 ( 1.259 -0.803 5.502) 5.701 4.058 ( -2.728 -4.649 -4.238) 6.856 4.153 ( -2.393 -0.513 -1.793) 3.034 4.293 ( -0.631 4.389 1.546) 4.695 4.361 ( 3.907 3.111 1.536) 5.225 4.465 ( -2.789 -2.956 2.414) 4.727 4.583 ( 1.283 -0.993 -0.128) 1.628 4.631 ( 3.290 2.521 0.487) 4.174 4.690 ( -2.416 -1.964 1.376) 3.405 4.801 ( 1.965 1.171 -1.893) 2.969 4.857 ( 1.495 4.928 0.341) 5.161 4.993 ( -3.354 1.395 -2.491) 4.405 5.156 ( -2.192 -4.408 5.750) 7.570 5.219 ( 4.672 -1.003 -0.069) 4.779 5.347 ( 1.092 -1.240 -1.875) 2.499 5.466 ( 1.651 3.439 -1.696) 4.174 5.609 ( 2.727 2.940 -5.582) 6.873 5.714 ( -0.813 1.189 -4.484) 4.710 5.978 ( -1.141 -5.685 2.556) 6.337 6.200 ( 2.985 -1.508 -0.057) 3.345 6.400 ( 0.949 4.253 2.125) 4.849 8.695 ( -2.581 5.718 0.434) 6.289 8.739 ( 1.671 -0.542 1.201) 2.128 8.991 ( -1.935 -1.871 0.433) 2.726 9.204 ( -0.847 2.454 -0.407) 2.628 9.311 ( 0.175 2.973 -0.278) 2.991 9.472 ( 2.657 1.820 1.245) 3.453 9.904 ( 1.186 3.671 -0.611) 3.906 10.244 ( -1.225 -7.308 -1.350) 7.532 10.618 ( 1.272 -0.057 -4.093) 4.287 10.774 ( 2.561 2.458 1.980) 4.065 10.859 ( -0.744 0.170 -3.181) 3.272 11.004 ( -0.982 1.390 0.058) 1.703 11.229 ( -0.651 -2.233 1.873) 2.986 11.387 ( -0.324 0.171 -0.166) 0.402 11.545 ( 2.899 1.353 -1.705) 3.625 11.794 ( 1.507 5.231 -1.569) 5.665 11.947 ( -2.744 4.825 8.772) 10.381 12.330 ( 0.826 -1.516 0.776) 1.893 12.841 ( -1.807 -8.470 -2.381) 8.982 12.957 ( 0.652 -10.022 -0.982) 10.091 21.838 ( -0.005 0.095 0.577) 0.585 21.881 ( -0.129 0.996 -0.320) 1.054 22.322 ( 0.244 10.794 -0.905) 10.835 22.411 ( -0.684 2.589 -0.065) 2.678 22.529 ( 0.483 5.038 -2.363) 5.585 22.787 ( 1.852 3.765 7.371) 8.482 23.119 ( -0.252 1.815 -0.092) 1.835 23.187 ( -0.871 3.812 -0.635) 3.962 23.295 ( -2.568 2.818 1.599) 4.134 23.492 ( -1.909 -1.108 0.684) 2.311 23.522 ( 0.917 -1.222 0.275) 1.552 23.918 ( 2.347 1.001 -1.182) 2.812 24.452 ( 0.694 0.443 1.608) 1.807 24.594 ( -0.320 0.737 -0.072) 0.807 24.731 ( 2.520 -6.364 -2.883) 7.427 25.041 ( -0.431 -4.498 -1.194) 4.674 ======================= Grid point 82 (40/90) ======================= q-point: (-0.29 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( -15.388 3.106 4.162) 16.241 1.467 ( -11.898 16.950 9.034) 22.593 1.710 ( -8.279 12.514 4.735) 15.734 1.865 ( -4.223 2.582 1.666) 5.223 2.044 ( 1.630 9.251 1.140) 9.463 2.111 ( -0.281 7.182 -1.342) 7.312 2.155 ( -1.843 2.706 -4.499) 5.564 2.363 ( -4.935 4.157 -4.655) 7.956 2.453 ( 1.621 2.387 0.573) 2.942 2.592 ( -4.077 5.211 2.528) 7.083 2.653 ( 0.269 8.255 -2.372) 8.593 2.743 ( 0.420 5.998 -2.521) 6.520 2.852 ( -1.962 0.770 -0.625) 2.198 2.895 ( -3.457 7.102 -2.229) 8.208 3.054 ( -1.658 2.085 1.632) 3.124 3.125 ( 0.296 2.319 1.574) 2.819 3.203 ( -2.112 -1.893 0.313) 2.853 3.251 ( -2.944 1.206 -0.189) 3.188 3.362 ( 1.699 -1.093 -1.660) 2.614 3.413 ( 1.260 3.974 -0.622) 4.215 3.473 ( -1.998 1.919 1.130) 2.992 3.591 ( -0.241 3.582 1.316) 3.824 3.692 ( -1.495 0.483 -0.662) 1.705 3.769 ( 0.400 -2.237 0.840) 2.423 3.816 ( 0.314 0.997 -0.066) 1.047 3.884 ( -1.800 2.543 3.166) 4.442 3.967 ( 1.250 -1.608 -0.249) 2.052 4.018 ( 0.893 -5.364 -2.366) 5.930 4.063 ( 2.377 0.017 -0.074) 2.378 4.117 ( -1.699 0.907 -0.106) 1.929 4.284 ( -0.872 0.964 -0.285) 1.331 4.389 ( -0.545 0.019 2.935) 2.985 4.465 ( 3.182 1.211 -0.520) 3.444 4.600 ( -0.067 -1.511 1.124) 1.884 4.649 ( -0.248 1.456 -1.127) 1.858 4.702 ( 2.019 1.311 2.421) 3.415 4.809 ( -0.882 -0.911 -2.661) 2.948 4.868 ( -1.137 1.882 0.379) 2.231 4.941 ( -2.286 2.506 -0.748) 3.474 5.171 ( 3.314 -4.832 2.555) 6.393 5.296 ( 3.087 -0.390 2.815) 4.196 5.382 ( 3.246 0.520 0.479) 3.322 5.501 ( 2.251 2.669 -5.911) 6.865 5.640 ( 0.277 1.241 -5.144) 5.299 5.712 ( 0.948 4.201 -1.287) 4.494 5.981 ( 0.263 -8.565 6.774) 10.923 6.258 ( 2.534 0.553 -2.975) 3.946 6.453 ( 5.089 0.617 1.457) 5.329 8.627 ( -4.131 3.471 0.533) 5.421 8.762 ( 0.245 -0.352 0.533) 0.684 8.933 ( -3.619 -2.202 0.717) 4.296 9.181 ( -0.812 2.158 0.457) 2.350 9.319 ( 0.185 1.724 -1.449) 2.259 9.519 ( 1.481 0.687 1.282) 2.076 9.938 ( 2.327 3.541 -0.874) 4.326 10.223 ( -0.531 -4.147 -1.577) 4.469 10.648 ( 2.223 1.499 -3.527) 4.431 10.806 ( -0.894 3.008 -3.066) 4.387 10.867 ( 1.005 -1.590 1.702) 2.537 11.003 ( 3.330 3.031 -0.041) 4.503 11.251 ( 3.065 -1.253 1.823) 3.780 11.421 ( 3.234 -1.087 -1.359) 3.672 11.607 ( 3.630 2.039 -0.475) 4.191 11.827 ( 2.087 5.011 -2.078) 5.813 11.897 ( -3.014 5.789 7.445) 9.900 12.340 ( 0.324 -3.991 3.228) 5.143 12.764 ( -6.246 -7.702 -2.700) 10.277 12.965 ( 0.061 -9.074 -0.179) 9.076 21.836 ( -0.129 0.215 0.514) 0.572 21.875 ( -0.520 0.906 -0.069) 1.047 22.339 ( 1.465 9.939 -1.146) 10.112 22.398 ( -0.563 3.690 0.362) 3.750 22.537 ( 0.466 4.572 -2.634) 5.297 22.831 ( 2.142 0.897 5.054) 5.562 23.081 ( -2.932 -0.317 -2.240) 3.703 23.173 ( -2.855 1.451 2.619) 4.137 23.263 ( 1.138 4.005 -0.966) 4.274 23.440 ( -2.508 -0.187 0.373) 2.542 23.567 ( 3.410 0.551 2.160) 4.074 23.981 ( 4.176 -0.678 -0.676) 4.284 24.472 ( 1.167 0.761 1.519) 2.061 24.580 ( -1.163 -0.740 0.162) 1.388 24.805 ( 4.495 -2.580 -1.566) 5.414 25.020 ( -1.208 -3.994 -2.115) 4.678 ======================= Grid point 83 (41/90) ======================= q-point: (-0.14 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( -7.448 3.200 6.725) 10.533 1.266 ( -11.049 18.681 8.765) 23.407 1.493 ( -12.935 3.885 12.456) 18.373 1.779 ( -3.120 15.295 -0.899) 15.636 2.025 ( -3.487 3.920 2.112) 5.656 2.069 ( -2.925 5.473 -1.315) 6.343 2.158 ( 0.588 2.141 -2.405) 3.273 2.277 ( -1.869 5.634 -1.757) 6.190 2.487 ( 1.861 2.537 0.737) 3.232 2.544 ( -1.536 9.993 0.990) 10.159 2.657 ( 0.665 5.090 -0.476) 5.155 2.762 ( -0.095 12.584 -4.081) 13.230 2.803 ( -2.825 -2.033 0.088) 3.482 2.874 ( 1.821 2.416 -3.592) 4.697 3.007 ( -3.095 -0.248 1.978) 3.681 3.097 ( -1.307 3.336 -0.237) 3.591 3.153 ( -3.124 -2.164 0.164) 3.804 3.211 ( -2.273 -1.394 2.191) 3.451 3.381 ( 0.374 2.469 -6.627) 7.082 3.441 ( -0.998 2.779 -0.918) 3.092 3.454 ( 2.606 -0.342 -0.589) 2.693 3.575 ( -2.145 -1.028 2.778) 3.657 3.683 ( 1.938 5.622 1.426) 6.115 3.774 ( 0.192 -0.724 0.339) 0.822 3.812 ( 0.506 2.976 -0.501) 3.060 3.898 ( 0.352 3.658 1.076) 3.829 3.980 ( -1.108 -1.853 -1.446) 2.599 4.038 ( 1.769 -1.732 -4.379) 5.031 4.091 ( 1.378 -2.647 -0.486) 3.024 4.146 ( 4.625 1.441 3.236) 5.825 4.285 ( 1.319 3.268 1.272) 3.747 4.390 ( -0.573 1.680 3.057) 3.535 4.504 ( 1.022 -0.221 0.553) 1.183 4.570 ( -3.011 -1.590 -0.516) 3.444 4.620 ( -2.208 -0.088 -5.847) 6.251 4.750 ( 2.305 0.654 0.274) 2.412 4.765 ( -3.422 -0.221 -2.087) 4.014 4.845 ( -0.371 2.777 2.522) 3.769 4.918 ( -0.201 1.171 -1.293) 1.756 5.221 ( 1.613 -5.419 5.083) 7.603 5.349 ( 2.239 -0.509 -0.086) 2.298 5.452 ( 2.663 0.605 2.009) 3.391 5.543 ( 3.160 4.114 -4.379) 6.788 5.640 ( 0.368 1.790 -3.974) 4.374 5.727 ( 0.201 1.813 0.708) 1.957 5.977 ( -0.760 -7.790 7.947) 11.154 6.287 ( 1.075 2.666 -2.733) 3.966 6.563 ( 5.121 -7.144 -1.405) 8.902 8.555 ( -3.245 2.462 0.172) 4.077 8.749 ( -1.385 -2.637 0.307) 2.995 8.875 ( -2.259 -0.890 0.278) 2.444 9.186 ( 0.695 -0.129 -0.544) 0.892 9.294 ( -2.470 1.599 -0.446) 2.976 9.525 ( -0.386 -1.670 0.022) 1.714 9.983 ( 2.299 3.423 -1.044) 4.253 10.229 ( 0.983 -1.357 -1.116) 2.013 10.693 ( 2.152 3.888 -2.612) 5.155 10.763 ( -2.483 3.065 -4.152) 5.727 10.849 ( -1.675 -1.383 -0.779) 2.307 11.149 ( 9.607 1.312 3.600) 10.343 11.336 ( 5.331 -1.299 1.070) 5.590 11.479 ( 2.567 -1.322 -1.896) 3.454 11.679 ( 4.035 3.008 -0.155) 5.035 11.830 ( -3.220 6.239 5.374) 8.842 11.886 ( 3.548 5.325 -2.044) 6.717 12.346 ( 0.163 -7.206 5.531) 9.085 12.609 ( -9.884 -4.053 -0.300) 10.687 12.958 ( -0.684 -7.720 -0.255) 7.754 21.834 ( -0.114 0.180 0.463) 0.510 21.864 ( -0.521 0.897 0.111) 1.043 22.363 ( 0.732 6.575 -0.899) 6.676 22.397 ( 0.563 6.516 0.665) 6.574 22.544 ( 0.456 5.071 -3.309) 6.072 22.859 ( 0.578 -0.611 2.482) 2.620 23.037 ( -1.257 -2.442 -1.853) 3.313 23.093 ( -4.305 -0.186 0.499) 4.338 23.317 ( 3.108 1.122 -0.849) 3.412 23.406 ( -1.167 -0.073 -0.235) 1.193 23.641 ( 3.435 0.749 2.334) 4.220 24.077 ( 6.259 -4.213 0.717) 7.579 24.486 ( -0.139 0.629 1.209) 1.370 24.557 ( -1.148 -1.216 0.474) 1.738 24.842 ( -0.740 2.264 -3.450) 4.192 25.028 ( 2.313 -2.739 0.287) 3.596 ======================= Grid point 84 (42/90) ======================= q-point: ( 0.00 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( 4.750 2.542 -0.990) 5.477 1.162 ( -7.986 0.750 3.941) 8.937 1.657 ( -0.097 13.573 6.126) 14.892 1.953 ( -0.308 6.364 -3.202) 7.131 1.968 ( -3.865 -1.963 -0.376) 4.351 2.129 ( -0.100 7.365 0.135) 7.367 2.263 ( 3.012 0.394 2.694) 4.061 2.445 ( 1.600 0.861 -2.619) 3.187 2.541 ( -0.425 2.525 0.077) 2.562 2.576 ( -0.051 -3.031 0.390) 3.057 2.708 ( 0.001 4.611 -0.433) 4.631 2.762 ( 1.082 2.681 -1.924) 3.473 2.816 ( -1.593 -0.908 -1.180) 2.180 2.928 ( 1.702 -5.319 -2.663) 6.187 3.026 ( 1.613 0.212 -0.229) 1.643 3.065 ( 0.453 -0.132 0.293) 0.555 3.188 ( -0.312 4.518 -2.236) 5.051 3.232 ( 3.860 2.374 -2.716) 5.284 3.390 ( -0.777 0.923 1.814) 2.179 3.450 ( 0.265 -0.537 0.823) 1.017 3.502 ( -1.575 1.089 -1.683) 2.549 3.612 ( -0.178 1.631 -2.783) 3.231 3.691 ( -2.117 1.717 -3.092) 4.122 3.812 ( 0.493 1.036 0.536) 1.266 3.936 ( -1.116 2.450 1.678) 3.173 3.982 ( 1.653 6.881 1.737) 7.287 4.009 ( 1.505 -0.604 0.115) 1.626 4.067 ( -1.086 5.458 2.304) 6.023 4.122 ( -1.068 4.510 -2.818) 5.424 4.225 ( 3.016 -1.036 6.152) 6.929 4.327 ( -4.516 -1.376 1.688) 5.014 4.386 ( -2.029 2.510 1.334) 3.492 4.510 ( 0.265 0.337 -0.007) 0.429 4.538 ( 2.259 -0.245 -0.491) 2.325 4.614 ( 0.045 0.238 -2.276) 2.289 4.693 ( 1.626 -3.220 -1.163) 3.790 4.836 ( 0.179 2.785 -0.590) 2.852 4.903 ( -1.117 2.315 1.222) 2.846 4.965 ( 3.220 2.226 1.614) 4.235 5.136 ( -1.310 -1.453 1.630) 2.546 5.282 ( -2.834 -2.304 0.960) 3.777 5.443 ( 0.195 -7.616 -3.265) 8.289 5.574 ( -1.493 2.843 0.438) 3.240 5.694 ( 1.471 1.218 1.593) 2.487 5.818 ( 0.438 5.391 -1.080) 5.515 6.010 ( 1.263 4.348 2.580) 5.211 6.249 ( -0.897 -8.040 -2.841) 8.575 6.393 ( -0.285 -5.151 1.075) 5.269 8.549 ( -0.192 0.818 0.374) 0.919 8.630 ( -0.266 -3.768 1.291) 3.992 8.928 ( 0.310 4.622 -1.697) 4.933 9.108 ( -1.457 -3.035 -4.259) 5.429 9.318 ( 0.269 1.397 2.451) 2.834 9.441 ( -0.860 -3.918 -0.115) 4.013 10.089 ( -0.194 4.168 -1.296) 4.369 10.219 ( 0.128 -1.683 -1.248) 2.100 10.747 ( -1.096 1.462 -1.798) 2.563 10.774 ( -0.539 0.527 -2.078) 2.210 10.928 ( 0.582 7.382 -0.831) 7.451 11.221 ( 0.781 -3.981 2.880) 4.975 11.397 ( 3.234 -0.391 -2.301) 3.989 11.458 ( 0.983 -2.496 -1.468) 3.058 11.769 ( -1.273 2.727 -1.044) 3.186 11.888 ( -1.163 1.304 2.962) 3.439 12.046 ( 3.126 2.415 1.310) 4.161 12.182 ( -0.935 -5.702 4.973) 7.624 12.522 ( -1.758 5.004 1.046) 5.406 12.797 ( 0.100 -7.317 -0.202) 7.321 21.836 ( -0.177 0.414 0.445) 0.633 21.864 ( -0.151 -0.383 0.059) 0.416 22.470 ( 0.391 4.841 0.410) 4.874 22.527 ( -0.510 3.684 0.073) 3.720 22.667 ( 0.518 4.395 -1.430) 4.651 22.827 ( 0.464 -3.370 0.240) 3.410 22.985 ( 0.541 -0.270 -0.350) 0.698 23.031 ( -0.263 -0.790 -0.084) 0.837 23.357 ( 0.793 0.346 -0.972) 1.301 23.387 ( 0.195 -0.702 -0.812) 1.091 23.691 ( -0.662 2.756 1.495) 3.204 23.951 ( 0.061 -9.469 1.273) 9.554 24.487 ( -1.168 0.902 0.942) 1.751 24.522 ( -0.222 -0.953 0.609) 1.152 24.936 ( 0.832 3.641 -3.358) 5.023 25.025 ( -0.486 -0.955 0.310) 1.116 ======================= Grid point 85 (43/90) ======================= q-point: ( 0.14 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( 4.949 7.821 2.453) 9.575 1.302 ( 15.888 -0.722 -0.690) 15.920 1.708 ( 4.884 9.998 5.165) 12.267 1.912 ( -0.617 2.634 -1.083) 2.914 2.008 ( 4.409 0.890 -3.117) 5.472 2.164 ( 3.865 7.814 -1.800) 8.901 2.310 ( 1.417 -3.763 0.988) 4.140 2.467 ( 0.752 -4.747 -3.730) 6.084 2.542 ( 0.502 6.768 0.847) 6.839 2.638 ( 3.982 0.296 -0.013) 3.993 2.701 ( 1.609 4.524 3.383) 5.873 2.805 ( 3.214 3.906 -1.523) 5.283 2.839 ( 3.644 1.183 -1.146) 3.999 2.958 ( 1.434 -3.732 -0.447) 4.023 3.042 ( 0.047 1.313 -0.815) 1.546 3.079 ( 1.185 0.596 -1.165) 1.766 3.201 ( 1.844 3.993 -0.968) 4.504 3.310 ( 3.442 0.218 -0.114) 3.451 3.365 ( -0.886 2.309 -0.667) 2.561 3.464 ( 0.790 2.369 0.638) 2.578 3.508 ( 1.645 -2.024 -1.912) 3.234 3.611 ( -0.720 2.654 -2.240) 3.547 3.665 ( 0.640 0.354 -2.899) 2.990 3.803 ( -1.616 1.894 0.213) 2.498 3.882 ( -4.259 4.027 4.902) 7.641 3.958 ( -3.683 2.762 -0.414) 4.622 4.017 ( -3.010 4.191 0.005) 5.160 4.049 ( 0.499 3.870 -1.028) 4.036 4.080 ( -1.418 -1.244 0.712) 2.016 4.242 ( -2.456 -0.279 4.108) 4.794 4.275 ( -0.117 -0.291 2.824) 2.841 4.340 ( -1.676 2.275 1.670) 3.282 4.518 ( 0.228 1.235 -0.512) 1.356 4.574 ( -0.077 -0.012 -1.324) 1.326 4.620 ( 1.852 -1.351 -1.016) 2.507 4.717 ( 0.110 -1.001 -0.286) 1.046 4.841 ( 1.220 2.552 0.501) 2.872 4.904 ( 0.771 -0.065 0.397) 0.870 5.040 ( 3.837 2.955 -2.479) 5.440 5.082 ( -4.301 -0.754 -0.144) 4.369 5.229 ( -2.185 -2.494 6.342) 7.156 5.419 ( -2.293 -7.566 -1.277) 8.008 5.553 ( -1.091 4.056 -0.725) 4.262 5.697 ( -1.034 0.014 -2.492) 2.698 5.818 ( -0.546 4.918 0.338) 4.960 6.019 ( -0.738 1.863 3.077) 3.672 6.211 ( -2.452 -5.125 -2.685) 6.284 6.398 ( 0.651 -3.311 1.057) 3.536 8.577 ( 2.841 0.862 0.460) 3.005 8.655 ( 2.825 -3.097 1.110) 4.336 8.943 ( 1.291 4.565 -1.564) 4.995 9.103 ( 1.446 -1.457 -3.757) 4.282 9.335 ( 0.896 0.226 1.630) 1.873 9.438 ( 0.707 -3.704 -0.141) 3.774 10.060 ( -2.557 4.019 -1.163) 4.903 10.199 ( -2.115 -2.333 -1.651) 3.556 10.729 ( -1.005 1.998 -2.175) 3.119 10.773 ( 0.263 0.162 -0.757) 0.818 10.920 ( -0.921 6.834 -0.271) 6.901 11.198 ( -3.025 -3.821 1.531) 5.109 11.382 ( -4.016 0.738 -1.160) 4.245 11.465 ( -0.912 -3.084 -1.781) 3.676 11.722 ( -2.882 4.148 -0.038) 5.051 11.869 ( -1.064 1.574 1.752) 2.585 12.102 ( 1.963 0.838 3.216) 3.861 12.175 ( 0.249 -4.959 4.689) 6.830 12.535 ( 2.963 3.321 -0.666) 4.500 12.795 ( -0.302 -7.430 -0.394) 7.447 21.834 ( -0.020 0.407 0.414) 0.581 21.865 ( 0.266 -0.517 -0.054) 0.584 22.474 ( -0.020 4.168 0.570) 4.207 22.506 ( -1.479 3.646 -0.083) 3.936 22.670 ( -0.112 4.367 -1.059) 4.495 22.834 ( 0.290 -2.540 0.566) 2.618 23.023 ( 3.064 0.366 -0.713) 3.167 23.078 ( 4.917 -0.490 0.392) 4.957 23.370 ( 0.974 0.368 -1.081) 1.500 23.402 ( 1.223 -0.891 -0.353) 1.554 23.655 ( -3.089 4.538 1.378) 5.659 23.933 ( -1.815 -8.744 0.902) 8.976 24.471 ( -0.512 0.780 0.553) 1.085 24.526 ( 0.260 -1.377 0.736) 1.583 24.935 ( -1.226 1.423 -1.869) 2.650 24.966 ( -4.687 0.249 -0.906) 4.780 ======================= Grid point 86 (44/90) ======================= q-point: ( 0.29 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( 13.414 9.613 1.307) 16.554 1.601 ( 14.495 -1.251 -1.573) 14.634 1.813 ( 5.048 6.110 2.129) 8.206 1.943 ( 4.265 5.328 -1.376) 6.962 2.085 ( 3.314 0.559 -1.917) 3.868 2.246 ( 3.329 3.870 -3.794) 6.361 2.319 ( 0.440 -1.576 -1.762) 2.404 2.468 ( 0.073 -2.548 -4.706) 5.352 2.558 ( 0.574 7.745 0.579) 7.788 2.655 ( -0.412 3.418 2.813) 4.446 2.784 ( 3.562 1.961 3.257) 5.210 2.855 ( 2.226 2.846 -2.783) 4.561 2.938 ( 5.765 5.173 2.430) 8.118 2.987 ( 1.841 -2.110 -1.666) 3.259 3.034 ( -1.109 3.412 1.677) 3.960 3.110 ( 2.546 -1.633 -0.820) 3.134 3.227 ( 0.373 2.143 -2.114) 3.033 3.332 ( 0.419 -0.279 1.536) 1.617 3.403 ( 3.622 1.857 -0.997) 4.191 3.463 ( -1.379 1.695 2.022) 2.978 3.534 ( 1.487 1.367 -3.515) 4.054 3.581 ( -1.760 0.955 -0.841) 2.171 3.701 ( 1.616 1.351 -2.723) 3.442 3.777 ( -0.499 0.351 2.302) 2.381 3.804 ( -4.131 4.339 0.280) 5.997 3.879 ( -2.463 2.742 -0.796) 3.771 3.976 ( -0.982 -0.199 2.155) 2.376 4.016 ( -2.456 -1.012 -2.897) 3.930 4.097 ( 1.073 -0.342 3.016) 3.219 4.210 ( -2.638 0.019 2.863) 3.893 4.255 ( 1.661 2.820 4.927) 5.915 4.357 ( 1.684 0.489 1.285) 2.174 4.501 ( -2.288 0.800 -0.216) 2.434 4.556 ( -1.209 -2.179 -2.085) 3.249 4.652 ( 1.357 2.378 -0.785) 2.849 4.705 ( -1.278 -0.632 1.889) 2.367 4.861 ( -2.492 -0.750 -3.016) 3.984 4.906 ( 1.505 -0.516 -0.622) 1.709 5.003 ( -0.302 1.649 1.058) 1.982 5.128 ( 3.610 3.454 -1.288) 5.159 5.197 ( -2.073 -2.049 6.689) 7.296 5.360 ( -3.824 -4.274 -0.403) 5.749 5.532 ( -0.933 4.444 -1.233) 4.705 5.669 ( -1.160 -0.424 -4.281) 4.455 5.790 ( -2.520 3.176 -0.934) 4.161 5.980 ( -3.414 -3.705 3.533) 6.153 6.178 ( -0.657 1.648 -2.025) 2.692 6.411 ( 0.581 -2.481 1.368) 2.892 8.640 ( 3.487 0.889 0.588) 3.646 8.723 ( 3.844 -2.410 0.821) 4.611 8.971 ( 1.682 4.511 -1.184) 4.958 9.152 ( 3.229 -1.613 -2.445) 4.360 9.347 ( 0.836 1.634 0.537) 1.913 9.464 ( 1.548 -2.334 0.215) 2.809 10.007 ( -2.650 3.469 -1.037) 4.487 10.148 ( -2.826 -3.688 -1.966) 5.045 10.696 ( -2.341 2.909 -2.126) 4.297 10.779 ( 0.274 -0.181 0.681) 0.757 10.908 ( -0.353 4.830 -0.031) 4.843 11.128 ( -3.961 -1.452 -0.124) 4.220 11.283 ( -5.749 0.086 -0.321) 5.758 11.425 ( -2.571 -3.771 -1.085) 4.691 11.669 ( -2.803 6.176 -0.643) 6.812 11.856 ( -0.296 1.609 1.159) 2.005 12.103 ( -1.396 2.114 7.093) 7.532 12.212 ( 2.786 -3.932 1.601) 5.078 12.608 ( 4.220 -1.532 -1.723) 4.809 12.785 ( -0.759 -7.513 -1.108) 7.632 21.836 ( 0.164 0.462 0.441) 0.659 21.872 ( 0.466 -0.693 -0.178) 0.854 22.469 ( -0.611 3.235 0.455) 3.324 22.481 ( -0.936 3.244 0.118) 3.379 22.665 ( -0.372 4.786 -0.766) 4.861 22.836 ( -0.131 -1.460 1.217) 1.905 23.084 ( 3.045 1.987 -0.634) 3.690 23.188 ( 6.086 0.158 0.464) 6.105 23.399 ( 2.102 0.419 -1.053) 2.388 23.428 ( 1.688 -1.076 0.275) 2.020 23.583 ( -4.548 6.689 0.898) 8.138 23.897 ( -1.740 -6.794 0.055) 7.013 24.465 ( -0.294 0.009 1.146) 1.183 24.522 ( -0.884 -2.673 0.434) 2.849 24.833 ( -6.393 2.778 -0.970) 7.038 24.943 ( 0.151 -1.972 -1.586) 2.535 ======================= Grid point 87 (45/90) ======================= q-point: ( 0.43 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( 10.379 7.068 0.715) 12.577 1.780 ( 3.750 -2.275 -1.295) 4.573 1.891 ( 4.188 8.523 -1.449) 9.606 2.050 ( 5.072 4.761 -2.594) 7.424 2.121 ( 1.527 1.997 -1.798) 3.091 2.247 ( -1.769 -0.756 -1.594) 2.498 2.348 ( 1.631 5.406 -3.138) 6.460 2.455 ( -2.402 1.491 -4.183) 5.049 2.539 ( -1.813 5.146 0.013) 5.456 2.664 ( 1.505 6.229 1.261) 6.531 2.811 ( -0.310 1.658 2.852) 3.314 2.881 ( -0.605 0.980 1.515) 1.903 2.954 ( -3.272 4.446 -1.759) 5.794 3.011 ( 1.979 -0.990 1.211) 2.523 3.054 ( 2.313 0.933 0.452) 2.534 3.151 ( -0.390 0.797 0.091) 0.892 3.246 ( 2.249 -0.543 -0.482) 2.364 3.322 ( -0.702 3.984 -0.580) 4.087 3.422 ( -1.974 -0.468 -1.143) 2.328 3.472 ( 2.586 -1.722 2.002) 3.696 3.556 ( 1.980 1.552 -1.493) 2.925 3.587 ( 0.686 3.728 1.286) 4.003 3.678 ( -2.469 1.032 -3.506) 4.411 3.744 ( -1.520 2.043 -0.242) 2.558 3.792 ( 1.613 -3.093 -2.299) 4.177 3.884 ( 1.281 2.658 2.750) 4.034 3.955 ( -0.800 -0.555 0.664) 1.179 3.996 ( -0.285 -0.468 3.192) 3.239 4.092 ( -1.082 1.492 -0.591) 1.936 4.196 ( -1.238 -0.444 1.276) 1.833 4.309 ( 3.326 0.329 4.552) 5.647 4.365 ( -1.342 -2.835 1.708) 3.572 4.465 ( 0.382 3.522 -1.561) 3.871 4.531 ( -0.952 -1.853 -0.539) 2.151 4.650 ( -2.561 0.626 0.346) 2.659 4.699 ( 1.623 -1.635 3.107) 3.868 4.793 ( -1.648 2.974 -2.856) 4.440 4.971 ( 2.893 3.601 3.864) 6.022 5.034 ( 2.841 -1.238 0.556) 3.149 5.124 ( -3.495 0.504 1.284) 3.757 5.171 ( -1.487 1.571 -1.186) 2.467 5.309 ( -0.936 -2.563 -0.810) 2.846 5.527 ( 0.944 4.822 -1.237) 5.067 5.669 ( 1.459 1.013 -3.159) 3.624 5.733 ( -2.752 0.984 -3.323) 4.425 5.909 ( -3.936 -5.798 3.441) 7.807 6.180 ( 0.575 3.710 -1.009) 3.888 6.420 ( 0.218 -2.189 1.554) 2.693 8.697 ( 2.258 0.521 0.749) 2.435 8.776 ( 1.275 -1.496 0.339) 1.994 8.999 ( 0.971 4.016 -0.565) 4.170 9.192 ( 1.087 -2.434 -1.435) 3.027 9.381 ( 2.234 3.621 0.574) 4.293 9.480 ( 0.306 0.020 0.140) 0.336 9.973 ( -0.816 2.996 -0.957) 3.249 10.107 ( -1.087 -5.435 -1.626) 5.776 10.658 ( -1.172 3.764 -2.548) 4.694 10.784 ( 0.301 -0.185 1.294) 1.342 10.900 ( -0.623 2.919 -0.810) 3.093 11.075 ( -1.015 0.617 0.053) 1.189 11.188 ( -4.120 -1.136 -0.574) 4.312 11.381 ( -2.160 -4.401 0.567) 4.935 11.626 ( -1.248 7.455 -2.249) 7.886 11.858 ( 0.504 1.041 0.600) 1.303 12.076 ( -1.670 4.135 7.256) 8.517 12.256 ( 1.589 -3.844 1.588) 4.452 12.675 ( 2.764 -4.521 -1.345) 5.467 12.768 ( -0.782 -7.313 -2.034) 7.631 21.840 ( 0.216 0.524 0.515) 0.766 21.880 ( 0.324 -0.782 -0.232) 0.878 22.456 ( -0.565 3.310 0.354) 3.377 22.473 ( -0.136 2.443 0.215) 2.456 22.656 ( -0.452 5.137 -0.703) 5.204 22.831 ( -0.508 -0.891 1.780) 2.054 23.125 ( 1.315 2.937 0.260) 3.228 23.282 ( 3.312 0.353 -0.551) 3.376 23.431 ( 0.456 3.744 -0.261) 3.780 23.460 ( 0.401 -1.075 0.445) 1.231 23.504 ( -2.078 4.721 -0.144) 5.160 23.876 ( -0.397 -5.240 -0.313) 5.264 24.454 ( -0.998 -0.294 1.460) 1.793 24.507 ( 0.136 -4.452 0.253) 4.462 24.749 ( -2.245 4.903 -1.595) 5.624 24.947 ( 0.232 -3.972 -0.646) 4.031 ======================= Grid point 88 (46/90) ======================= q-point: (-0.43 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.570 ( -6.916 6.422 0.924) 9.483 1.792 ( -1.731 -2.194 -0.725) 2.887 1.946 ( 0.007 9.076 -0.962) 9.126 2.079 ( -0.656 5.191 -0.599) 5.266 2.136 ( -1.897 4.813 -1.304) 5.335 2.220 ( 0.263 2.048 -3.036) 3.671 2.337 ( -2.686 6.390 -2.055) 7.230 2.409 ( -1.199 2.167 -4.236) 4.907 2.535 ( 1.857 3.187 -1.508) 3.985 2.678 ( -0.675 2.723 -2.152) 3.536 2.769 ( -4.426 2.177 2.574) 5.564 2.830 ( -1.275 0.276 1.465) 1.961 2.951 ( 0.066 4.518 0.808) 4.590 3.029 ( -0.547 -2.960 0.047) 3.011 3.041 ( -3.223 -1.803 0.558) 3.735 3.127 ( -1.663 1.098 1.450) 2.465 3.253 ( -1.650 0.721 -1.614) 2.418 3.320 ( 0.530 2.183 -0.000) 2.247 3.400 ( -0.865 0.121 -3.222) 3.338 3.500 ( -0.812 -0.462 3.724) 3.839 3.547 ( -1.331 3.057 -1.934) 3.854 3.627 ( 3.544 2.998 -1.387) 4.845 3.676 ( 2.919 0.575 -0.416) 3.005 3.740 ( 0.940 1.636 1.984) 2.738 3.837 ( 2.098 0.149 -2.939) 3.614 3.893 ( -0.602 -2.143 1.282) 2.569 3.940 ( -0.772 -2.034 1.859) 2.862 4.000 ( 0.173 3.113 1.775) 3.587 4.062 ( -2.147 1.079 0.664) 2.492 4.137 ( -2.617 0.788 -0.239) 2.743 4.298 ( -2.190 -1.374 0.303) 2.603 4.396 ( 1.260 -2.879 4.265) 5.297 4.480 ( 1.735 4.989 -0.117) 5.283 4.560 ( 2.326 0.011 0.567) 2.394 4.627 ( 0.854 -2.142 -0.491) 2.357 4.698 ( -1.244 -1.501 2.919) 3.510 4.815 ( 2.096 4.089 -0.467) 4.618 4.978 ( -1.016 4.827 1.145) 5.064 5.045 ( -2.312 4.214 -0.217) 4.812 5.113 ( -0.855 0.436 3.187) 3.329 5.158 ( 4.798 -4.003 1.422) 6.408 5.295 ( -0.790 -3.534 -4.150) 5.508 5.567 ( 2.604 5.287 -0.386) 5.906 5.674 ( -0.761 2.363 -4.214) 4.891 5.747 ( 3.768 -0.307 -3.956) 5.472 5.854 ( -1.262 -4.520 4.579) 6.557 6.193 ( 0.876 1.855 -0.772) 2.192 6.421 ( -0.183 -2.489 1.667) 3.002 8.711 ( -1.150 -0.199 1.061) 1.578 8.769 ( -1.676 -1.146 0.119) 2.034 8.997 ( -1.073 4.138 -0.566) 4.312 9.201 ( -0.187 -2.613 -1.244) 2.900 9.388 ( -1.447 3.875 0.647) 4.186 9.497 ( 1.297 -0.107 0.550) 1.413 9.977 ( 1.227 2.910 -0.886) 3.280 10.112 ( 1.569 -4.901 -1.542) 5.372 10.660 ( 1.624 4.257 -2.379) 5.140 10.796 ( 1.028 -0.678 0.800) 1.469 10.892 ( 0.103 2.876 -0.498) 2.921 11.088 ( 1.177 4.189 -0.442) 4.374 11.138 ( -0.430 -4.378 -0.403) 4.418 11.350 ( -0.753 -3.815 -0.232) 3.896 11.631 ( 1.776 6.641 -2.088) 7.184 11.874 ( 1.158 0.245 0.219) 1.203 12.047 ( -1.819 5.521 6.949) 9.059 12.268 ( -0.359 -3.926 1.997) 4.419 12.694 ( -0.909 -4.790 -0.803) 4.942 12.766 ( 0.776 -7.400 -2.156) 7.746 21.843 ( 0.079 0.562 0.578) 0.810 21.882 ( -0.051 -0.715 -0.166) 0.735 22.451 ( -0.054 3.426 0.246) 3.435 22.477 ( 0.614 2.561 0.330) 2.655 22.649 ( -0.283 5.105 -0.956) 5.201 22.822 ( -0.444 -1.474 1.686) 2.283 23.131 ( -0.892 2.620 0.428) 2.801 23.286 ( -3.221 -0.803 -0.744) 3.402 23.377 ( -3.131 6.447 -0.825) 7.214 23.468 ( -1.249 -1.025 0.662) 1.746 23.527 ( 3.785 3.371 -0.056) 5.069 23.881 ( 0.787 -5.408 -0.270) 5.472 24.453 ( 1.229 0.091 1.443) 1.897 24.531 ( 1.866 -3.634 0.927) 4.189 24.744 ( 1.801 4.641 -1.831) 5.304 24.948 ( -0.124 -4.281 -0.662) 4.334 ======================= Grid point 89 (47/90) ======================= q-point: (-0.29 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( -14.969 7.953 0.882) 16.973 1.677 ( -10.795 -4.591 0.187) 11.732 1.850 ( -8.696 12.299 3.749) 15.522 2.029 ( -3.074 8.200 2.060) 8.996 2.137 ( 0.012 2.002 -2.786) 3.431 2.206 ( -1.822 3.210 -2.753) 4.605 2.273 ( -4.097 5.197 -1.081) 6.705 2.400 ( 0.675 1.226 -5.939) 6.102 2.573 ( 0.559 4.459 -1.362) 4.696 2.658 ( -0.125 1.587 0.823) 1.792 2.715 ( -1.683 -1.659 -1.360) 2.726 2.818 ( -0.082 3.034 -1.017) 3.201 2.880 ( -6.570 0.558 0.477) 6.611 2.988 ( -1.469 -2.198 0.607) 2.713 3.011 ( -2.815 0.727 1.973) 3.514 3.081 ( -1.572 -2.987 -0.500) 3.412 3.218 ( -2.517 1.067 -2.369) 3.618 3.291 ( -3.810 -0.303 -0.383) 3.841 3.383 ( -0.250 1.106 -0.376) 1.195 3.470 ( -1.170 -0.456 -0.694) 1.435 3.557 ( 1.423 4.896 -1.180) 5.234 3.679 ( 0.050 4.417 0.028) 4.417 3.710 ( 0.781 -1.241 0.054) 1.467 3.794 ( 3.546 1.471 1.151) 4.008 3.852 ( 0.057 5.559 -1.155) 5.678 3.880 ( 1.905 -1.863 2.322) 3.534 3.951 ( -1.205 1.718 0.923) 2.293 3.982 ( 2.194 0.373 -0.249) 2.239 4.066 ( 2.198 0.935 -1.415) 2.776 4.128 ( 1.025 0.771 1.457) 1.941 4.299 ( 2.356 1.209 1.894) 3.256 4.400 ( 0.135 -1.592 5.431) 5.661 4.513 ( 0.782 3.032 -1.191) 3.350 4.571 ( -0.974 0.288 0.395) 1.090 4.633 ( -0.889 -4.087 0.495) 4.212 4.698 ( 0.533 -0.168 -0.033) 0.560 4.824 ( -0.490 3.166 -1.865) 3.707 4.948 ( -1.988 3.994 1.562) 4.727 4.996 ( -3.165 2.206 -0.296) 3.869 5.129 ( 2.718 1.581 1.302) 3.403 5.261 ( 2.607 -2.468 1.987) 4.103 5.310 ( 4.817 -5.782 -0.578) 7.547 5.599 ( 0.880 4.888 -0.016) 4.967 5.669 ( -0.241 1.273 -4.756) 4.930 5.779 ( 0.717 0.121 -1.414) 1.590 5.901 ( 4.489 0.638 3.131) 5.510 6.214 ( 1.517 -2.179 -1.480) 3.040 6.415 ( -0.472 -3.863 1.745) 4.265 8.658 ( -3.975 0.285 0.897) 4.084 8.722 ( -3.243 -3.000 0.752) 4.481 8.968 ( -1.767 4.989 -1.211) 5.429 9.179 ( -1.878 -2.683 -1.650) 3.667 9.361 ( -1.321 2.781 0.596) 3.136 9.499 ( -1.299 -2.482 0.936) 2.954 10.015 ( 2.765 3.599 -0.996) 4.646 10.153 ( 2.589 -2.872 -1.924) 4.319 10.713 ( 3.711 4.181 -1.284) 5.736 10.816 ( 0.498 -0.971 -0.487) 1.195 10.892 ( -0.404 3.463 0.554) 3.531 11.104 ( 1.977 3.396 -1.203) 4.109 11.187 ( 4.716 -2.794 -0.234) 5.486 11.368 ( 2.663 -3.741 -2.206) 5.095 11.682 ( 3.510 5.222 -0.852) 6.349 11.900 ( 1.410 -0.495 0.371) 1.540 12.016 ( -1.767 6.409 6.113) 9.031 12.247 ( -1.856 -4.346 2.663) 5.425 12.653 ( -3.206 -2.635 -0.571) 4.189 12.782 ( 0.816 -7.639 -1.141) 7.767 21.843 ( -0.122 0.556 0.573) 0.808 21.878 ( -0.393 -0.539 -0.019) 0.668 22.453 ( 0.307 3.824 0.103) 3.838 22.496 ( 1.347 3.031 0.547) 3.362 22.647 ( 0.182 4.833 -1.376) 5.028 22.817 ( -0.120 -2.693 0.995) 2.873 23.086 ( -3.775 1.940 -0.609) 4.288 23.190 ( -6.025 -0.633 0.486) 6.077 23.342 ( -0.803 3.332 -1.536) 3.756 23.427 ( -2.209 -0.954 0.067) 2.407 23.609 ( 4.361 3.937 0.990) 5.958 23.902 ( 1.455 -6.568 0.129) 6.729 24.487 ( 1.643 0.949 1.641) 2.508 24.552 ( 0.034 -1.539 1.214) 1.961 24.817 ( 5.531 2.757 -1.488) 6.357 24.949 ( 0.729 -2.863 -1.503) 3.315 ======================= Grid point 90 (48/90) ======================= q-point: (-0.14 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( -9.487 6.826 0.704) 11.709 1.412 ( -16.017 -5.151 1.418) 16.884 1.709 ( -5.608 15.451 6.151) 17.551 1.978 ( -2.413 6.613 -0.897) 7.096 2.075 ( -5.854 0.978 -0.234) 5.940 2.162 ( -2.963 4.100 0.362) 5.072 2.225 ( 0.233 4.132 -0.789) 4.213 2.418 ( 1.298 2.746 -4.110) 5.110 2.552 ( -1.314 3.649 -0.068) 3.879 2.649 ( -5.669 -7.050 -0.118) 9.047 2.685 ( 1.979 4.654 0.455) 5.078 2.770 ( -2.320 2.713 -1.249) 3.782 2.850 ( 0.524 -0.757 -2.818) 2.965 2.932 ( -3.016 -1.492 -3.195) 4.640 2.993 ( 0.909 -0.637 2.532) 2.765 3.067 ( -0.506 -2.958 0.087) 3.002 3.182 ( 0.051 1.420 -3.111) 3.420 3.224 ( -2.594 1.970 -2.193) 3.926 3.387 ( 0.532 0.941 2.013) 2.285 3.454 ( -0.609 -1.785 0.157) 1.892 3.558 ( -2.540 4.477 -2.809) 5.864 3.634 ( -2.239 2.755 0.545) 3.592 3.718 ( -0.600 2.002 -2.494) 3.254 3.806 ( -0.245 0.211 -0.804) 0.866 3.897 ( 3.879 6.065 2.242) 7.541 3.953 ( 2.799 0.160 0.520) 2.851 3.963 ( 2.580 0.823 0.242) 2.719 4.041 ( 3.298 4.007 1.484) 5.398 4.115 ( 1.891 2.714 -2.638) 4.231 4.161 ( 2.814 1.013 4.705) 5.575 4.358 ( 2.188 2.192 3.265) 4.500 4.408 ( -0.361 -1.081 4.040) 4.197 4.510 ( -0.251 1.184 -0.621) 1.360 4.531 ( -1.969 -0.726 -1.335) 2.487 4.615 ( -0.832 -1.434 -0.049) 1.659 4.691 ( -0.792 -1.478 -1.872) 2.514 4.825 ( 0.732 2.389 -1.565) 2.948 4.926 ( -0.484 2.693 0.558) 2.793 4.944 ( -1.874 1.951 1.515) 3.100 5.152 ( -0.417 -0.072 1.496) 1.555 5.297 ( 1.343 -2.725 0.379) 3.062 5.406 ( 3.851 -5.300 -0.993) 6.626 5.604 ( -0.925 2.362 1.171) 2.794 5.661 ( 0.809 1.715 -1.015) 2.151 5.801 ( 1.381 3.546 -1.266) 4.011 5.972 ( 2.801 3.734 2.309) 5.207 6.243 ( 1.359 -6.099 -2.471) 6.719 6.404 ( -0.751 -5.808 1.512) 6.048 8.585 ( -3.380 0.674 0.585) 3.496 8.661 ( -2.897 -3.952 1.208) 5.047 8.937 ( -1.208 4.984 -1.708) 5.406 9.142 ( -1.812 -3.569 -2.809) 4.890 9.333 ( -1.639 2.216 1.296) 3.045 9.466 ( -1.770 -3.531 0.614) 3.997 10.067 ( 2.406 4.069 -1.232) 4.885 10.198 ( 2.023 -1.820 -1.667) 3.192 10.761 ( 0.565 1.948 -0.721) 2.152 10.799 ( -1.768 0.357 -2.178) 2.828 10.900 ( 1.700 6.196 -0.445) 6.440 11.168 ( 4.116 -1.354 1.885) 4.725 11.296 ( 6.500 -0.665 -1.658) 6.741 11.424 ( 2.832 -3.437 -2.716) 5.216 11.748 ( 3.079 3.787 -0.712) 4.932 11.911 ( -0.790 -0.256 2.570) 2.701 12.003 ( 0.867 5.877 2.945) 6.631 12.209 ( -2.091 -5.133 3.703) 6.666 12.583 ( -4.024 1.246 0.600) 4.255 12.793 ( 0.365 -7.479 -0.494) 7.504 21.840 ( -0.222 0.492 0.512) 0.744 21.870 ( -0.448 -0.393 0.083) 0.602 22.461 ( 0.500 4.520 0.191) 4.552 22.521 ( 1.055 3.405 0.445) 3.592 22.655 ( 0.710 4.600 -1.615) 4.927 22.819 ( 0.283 -3.487 0.379) 3.519 23.013 ( -3.240 0.826 -0.748) 3.426 23.083 ( -4.854 -0.983 0.298) 4.962 23.342 ( 0.670 1.345 -1.316) 1.998 23.396 ( -1.096 -0.813 -0.456) 1.438 23.675 ( 2.289 2.825 1.522) 3.941 23.932 ( 1.585 -8.129 0.847) 8.325 24.501 ( -0.172 0.835 1.244) 1.508 24.539 ( -1.242 -0.750 1.028) 1.779 24.904 ( 3.019 2.962 -2.206) 4.770 24.989 ( 3.325 -1.277 -0.893) 3.672 ======================= Grid point 91 (49/90) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( -0.702 -3.259 -0.639) 3.394 1.120 ( -0.702 3.259 -0.639) 3.394 1.868 ( -2.120 -6.559 -0.026) 6.893 1.868 ( -2.120 6.559 -0.026) 6.893 2.152 ( -1.588 -9.243 -1.031) 9.435 2.152 ( -1.588 9.243 -1.031) 9.435 2.320 ( -0.618 -7.638 -0.603) 7.687 2.320 ( -0.618 7.638 -0.603) 7.687 2.564 ( 2.332 -1.874 -0.119) 2.995 2.564 ( 2.332 1.874 -0.119) 2.995 2.779 ( -2.285 -3.304 -1.909) 4.447 2.779 ( -2.285 3.304 -1.909) 4.447 2.833 ( 4.005 -2.729 -1.276) 5.012 2.833 ( 4.005 2.729 -1.276) 5.012 3.047 ( 1.305 -1.905 -0.989) 2.512 3.047 ( 1.305 1.906 -0.989) 2.512 3.255 ( 1.629 -1.997 -1.888) 3.195 3.255 ( 1.629 1.997 -1.888) 3.195 3.399 ( 0.232 -1.741 4.617) 4.939 3.399 ( 0.232 1.741 4.617) 4.939 3.552 ( -2.004 -3.518 -3.793) 5.548 3.552 ( -2.004 3.518 -3.793) 5.548 3.794 ( -0.583 -3.336 -1.433) 3.677 3.794 ( -0.583 3.336 -1.433) 3.677 3.984 ( 1.108 -1.460 1.187) 2.184 3.984 ( 1.108 1.460 1.187) 2.184 4.095 ( 0.069 -2.523 4.495) 5.155 4.095 ( 0.069 2.523 4.495) 5.155 4.233 ( -0.051 -1.568 1.383) 2.092 4.233 ( -0.051 1.568 1.383) 2.092 4.339 ( -2.096 -6.647 1.413) 7.112 4.339 ( -2.096 6.647 1.413) 7.112 4.511 ( 1.444 -1.621 -1.224) 2.492 4.511 ( 1.444 1.621 -1.224) 2.492 4.633 ( -0.989 -2.234 -2.661) 3.612 4.633 ( -0.989 2.234 -2.661) 3.612 4.893 ( 1.016 -3.027 2.330) 3.952 4.893 ( 1.016 3.027 2.330) 3.952 5.076 ( 0.949 -6.188 -0.202) 6.263 5.076 ( 0.949 6.188 -0.202) 6.263 5.314 ( -2.411 -4.550 -0.366) 5.162 5.314 ( -2.411 4.550 -0.366) 5.162 5.655 ( -0.391 -4.269 -1.130) 4.434 5.655 ( -0.391 4.269 -1.130) 4.434 5.939 ( 0.850 -6.965 2.091) 7.322 5.939 ( 0.850 6.965 2.091) 7.322 6.270 ( 0.351 -6.912 0.056) 6.921 6.270 ( 0.351 6.912 0.056) 6.921 8.572 ( -0.061 -1.681 0.924) 1.919 8.572 ( -0.061 1.681 0.924) 1.919 9.027 ( -0.138 -4.445 -3.145) 5.446 9.027 ( -0.138 4.445 -3.145) 5.446 9.365 ( -0.824 -3.036 1.253) 3.386 9.365 ( -0.824 3.036 1.253) 3.386 10.169 ( -0.073 -3.119 -1.611) 3.511 10.169 ( -0.073 3.119 -1.611) 3.511 10.771 ( -0.767 -0.782 -1.253) 1.665 10.771 ( -0.767 0.782 -1.253) 1.665 11.094 ( 0.469 -7.526 0.567) 7.562 11.094 ( 0.469 7.526 0.567) 7.562 11.413 ( 2.319 -1.699 -2.060) 3.537 11.413 ( 2.319 1.699 -2.060) 3.537 11.841 ( -0.932 -3.909 -0.148) 4.021 11.841 ( -0.932 3.909 -0.148) 4.021 12.103 ( 0.059 -2.821 4.233) 5.087 12.103 ( 0.059 2.821 4.233) 5.087 12.647 ( -0.279 -6.599 0.251) 6.610 12.647 ( -0.279 6.599 0.251) 6.610 21.850 ( -0.200 -0.764 0.227) 0.822 21.850 ( -0.200 0.764 0.227) 0.822 22.550 ( -0.031 -1.763 -0.063) 1.764 22.550 ( -0.031 1.763 -0.063) 1.764 22.744 ( 0.518 -3.562 -0.284) 3.611 22.744 ( 0.518 3.562 -0.284) 3.611 23.007 ( 0.161 -1.460 0.041) 1.469 23.007 ( 0.161 1.460 0.041) 1.469 23.370 ( 0.350 -0.817 -0.983) 1.326 23.370 ( 0.350 0.817 -0.983) 1.326 23.783 ( -0.157 -6.138 1.489) 6.318 23.783 ( -0.157 6.138 1.489) 6.318 24.504 ( -0.733 -0.749 0.732) 1.278 24.504 ( -0.733 0.749 0.732) 1.278 24.996 ( 0.132 -2.005 -1.455) 2.481 24.996 ( 0.132 2.005 -1.455) 2.481 ======================= Grid point 93 (50/90) ======================= q-point: ( 0.14 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( 11.615 -5.021 -1.193) 12.710 1.234 ( 11.615 5.021 -1.193) 12.710 1.871 ( 2.307 -5.422 0.038) 5.893 1.871 ( 2.307 5.422 0.038) 5.893 2.147 ( 1.002 -9.963 -2.543) 10.331 2.147 ( 1.002 9.963 -2.543) 10.331 2.335 ( 2.076 -7.160 -2.445) 7.845 2.335 ( 2.076 7.160 -2.445) 7.845 2.630 ( 3.897 -1.729 1.391) 4.484 2.630 ( 3.897 1.729 1.391) 4.484 2.762 ( 0.872 -4.506 -0.087) 4.591 2.762 ( 0.872 4.506 -0.087) 4.591 2.927 ( 6.042 -3.846 -1.872) 7.403 2.927 ( 6.042 3.846 -1.872) 7.403 3.064 ( 0.575 -2.813 -0.965) 3.029 3.064 ( 0.575 2.813 -0.965) 3.029 3.276 ( 0.442 -2.603 0.552) 2.698 3.276 ( 0.442 2.603 0.552) 2.698 3.412 ( 0.501 -4.067 3.710) 5.527 3.412 ( 0.501 4.067 3.710) 5.527 3.545 ( 1.561 -4.248 -5.169) 6.870 3.545 ( 1.561 4.248 -5.169) 6.870 3.776 ( -1.109 -3.659 -0.283) 3.834 3.776 ( -1.109 3.659 -0.283) 3.834 3.966 ( -3.434 -2.213 2.957) 5.043 3.966 ( -3.434 2.213 2.957) 5.043 4.065 ( -2.635 -0.588 0.606) 2.767 4.065 ( -2.635 0.588 0.606) 2.767 4.198 ( -3.386 -5.438 1.101) 6.500 4.198 ( -3.386 5.438 1.101) 6.500 4.309 ( -0.470 -5.603 3.797) 6.785 4.309 ( -0.470 5.603 3.797) 6.785 4.521 ( -1.136 -3.053 -3.999) 5.158 4.521 ( -1.136 3.053 -3.999) 5.158 4.652 ( 3.280 -3.418 0.391) 4.753 4.652 ( 3.280 3.418 0.391) 4.753 4.901 ( -0.526 -2.642 -0.508) 2.741 4.901 ( -0.526 2.642 -0.508) 2.741 5.095 ( 0.384 -3.675 0.745) 3.769 5.095 ( 0.384 3.675 0.745) 3.769 5.267 ( -1.597 -6.258 1.892) 6.730 5.267 ( -1.596 6.258 1.892) 6.730 5.638 ( -1.292 -4.414 -2.700) 5.333 5.638 ( -1.292 4.414 -2.700) 5.333 5.932 ( -1.820 -6.037 1.946) 6.599 5.932 ( -1.820 6.037 1.946) 6.599 6.283 ( 0.923 -7.182 0.356) 7.250 6.283 ( 0.923 7.182 0.356) 7.250 8.602 ( 2.993 -1.768 0.942) 3.601 8.602 ( 2.993 1.768 0.942) 3.601 9.042 ( 1.697 -4.133 -3.131) 5.456 9.042 ( 1.697 4.133 -3.131) 5.456 9.365 ( 0.949 -2.693 1.026) 3.034 9.365 ( 0.949 2.693 1.026) 3.034 10.140 ( -2.699 -3.296 -1.681) 4.579 10.140 ( -2.699 3.296 -1.681) 4.579 10.763 ( -0.264 -1.117 -1.070) 1.569 10.763 ( -0.264 1.117 -1.070) 1.569 11.076 ( -2.081 -7.154 0.785) 7.492 11.076 ( -2.081 7.154 0.785) 7.492 11.411 ( -2.424 -1.967 -2.002) 3.708 11.411 ( -2.424 1.967 -2.002) 3.708 11.821 ( -0.998 -4.753 0.242) 4.863 11.821 ( -0.998 4.753 0.242) 4.863 12.118 ( 1.172 -1.378 4.101) 4.483 12.118 ( 1.172 1.378 4.101) 4.483 12.645 ( 0.069 -6.452 -0.234) 6.456 12.645 ( 0.069 6.452 -0.234) 6.456 21.848 ( 0.077 -0.836 0.154) 0.854 21.848 ( 0.077 0.836 0.154) 0.854 22.537 ( -1.230 -1.004 0.018) 1.588 22.537 ( -1.230 1.004 0.018) 1.588 22.754 ( 0.470 -4.028 -0.003) 4.055 22.754 ( 0.470 4.028 -0.003) 4.055 23.055 ( 4.557 -1.733 0.053) 4.876 23.055 ( 4.557 1.733 0.053) 4.876 23.383 ( 1.079 -0.811 -0.758) 1.548 23.383 ( 1.079 0.811 -0.758) 1.548 23.769 ( -1.346 -6.492 1.047) 6.712 23.769 ( -1.346 6.492 1.047) 6.712 24.495 ( -0.459 -1.427 0.588) 1.610 24.495 ( -0.459 1.427 0.588) 1.610 24.962 ( -3.280 -0.835 -1.270) 3.615 24.962 ( -3.280 0.835 -1.270) 3.615 ======================= Grid point 95 (51/90) ======================= q-point: ( 0.29 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( 13.644 -8.269 -1.787) 16.054 1.485 ( 13.644 8.269 -1.787) 16.054 1.941 ( 4.831 -4.708 -0.819) 6.795 1.941 ( 4.831 4.708 -0.819) 6.795 2.169 ( 1.111 -6.674 -2.622) 7.257 2.169 ( 1.111 6.674 -2.622) 7.257 2.383 ( 2.757 -4.731 -5.181) 7.538 2.383 ( 2.757 4.731 -5.181) 7.538 2.693 ( 2.531 -2.967 2.596) 4.685 2.693 ( 2.531 2.967 2.596) 4.685 2.801 ( 2.832 -4.719 0.356) 5.515 2.801 ( 2.832 4.719 0.356) 5.515 3.031 ( 1.957 -4.121 0.136) 4.564 3.031 ( 1.957 4.121 0.136) 4.564 3.075 ( 2.516 -3.024 -1.179) 4.106 3.075 ( 2.516 3.024 -1.179) 4.106 3.278 ( -0.092 -2.563 1.284) 2.868 3.278 ( -0.092 2.563 1.284) 2.868 3.410 ( 0.111 -2.147 2.625) 3.393 3.410 ( 0.111 2.147 2.625) 3.393 3.585 ( 1.297 -3.266 -5.350) 6.401 3.585 ( 1.297 3.266 -5.350) 6.401 3.765 ( 0.274 -3.269 2.231) 3.967 3.765 ( 0.274 3.269 2.231) 3.967 3.885 ( -4.268 -3.254 0.133) 5.369 3.885 ( -4.268 3.254 0.133) 5.369 3.996 ( -4.650 -2.472 -0.658) 5.307 3.996 ( -4.650 2.472 -0.658) 5.307 4.151 ( -0.240 -4.685 0.981) 4.793 4.151 ( -0.240 4.685 0.981) 4.793 4.322 ( 0.743 -3.640 6.080) 7.125 4.322 ( 0.743 3.640 6.080) 7.125 4.494 ( -1.099 -3.002 -3.412) 4.675 4.494 ( -1.099 3.002 -3.412) 4.675 4.701 ( 0.770 -1.143 0.865) 1.627 4.701 ( 0.770 1.143 0.865) 1.627 4.880 ( -0.550 -1.836 -3.230) 3.756 4.880 ( -0.550 1.836 -3.230) 3.756 5.097 ( 0.208 -4.841 4.015) 6.293 5.097 ( 0.208 4.841 4.015) 6.293 5.258 ( -0.174 -5.001 1.442) 5.208 5.258 ( -0.174 5.001 1.442) 5.208 5.612 ( -0.974 -3.779 -3.205) 5.050 5.612 ( -0.974 3.779 -3.205) 5.050 5.876 ( -4.035 -4.745 0.869) 6.289 5.876 ( -4.035 4.745 0.869) 6.289 6.300 ( 0.838 -7.211 0.629) 7.287 6.300 ( 0.838 7.211 0.629) 7.287 8.670 ( 3.715 -2.073 0.744) 4.319 8.670 ( 3.715 2.073 0.744) 4.319 9.079 ( 2.147 -4.830 -2.182) 5.719 9.079 ( 2.147 4.830 -2.182) 5.719 9.400 ( 2.605 -3.143 0.519) 4.115 9.400 ( 2.605 3.143 0.519) 4.115 10.079 ( -3.447 -3.184 -1.616) 4.963 10.079 ( -3.447 3.184 -1.616) 4.963 10.753 ( -0.762 -2.138 -0.636) 2.358 10.753 ( -0.762 2.138 -0.636) 2.358 11.032 ( -2.478 -6.154 0.771) 6.679 11.032 ( -2.478 6.154 0.771) 6.679 11.340 ( -4.370 -4.018 -1.905) 6.235 11.340 ( -4.370 4.018 -1.905) 6.235 11.804 ( -0.931 -5.675 0.388) 5.764 11.804 ( -0.931 5.675 0.388) 5.764 12.146 ( 1.453 -2.270 4.068) 4.880 12.146 ( 1.453 2.270 4.068) 4.880 12.649 ( 0.359 -4.786 -1.059) 4.914 12.649 ( 0.359 4.786 -1.059) 4.914 21.852 ( 0.287 -0.978 0.126) 1.027 21.852 ( 0.287 0.978 0.126) 1.027 22.512 ( -1.191 -0.462 0.120) 1.283 22.512 ( -1.191 0.462 0.120) 1.283 22.760 ( 0.139 -4.483 0.382) 4.501 22.760 ( 0.139 4.483 0.382) 4.501 23.152 ( 5.079 -3.224 0.051) 6.016 23.152 ( 5.079 3.224 0.051) 6.016 23.410 ( 1.913 -0.642 -0.217) 2.029 23.410 ( 1.913 0.642 -0.217) 2.029 23.738 ( -1.905 -7.704 -0.313) 7.942 23.738 ( -1.905 7.704 -0.313) 7.942 24.479 ( -1.401 -1.376 0.823) 2.129 24.479 ( -1.401 1.376 0.823) 2.129 24.896 ( -3.112 -2.646 -0.911) 4.185 24.896 ( -3.112 2.646 -0.911) 4.185 ======================= Grid point 97 (52/90) ======================= q-point: ( 0.43 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( 6.690 -6.495 -1.546) 9.451 1.685 ( 6.690 6.495 -1.546) 9.451 2.033 ( 4.607 -4.510 -1.537) 6.628 2.033 ( 4.607 4.510 -1.537) 6.628 2.187 ( 1.140 -3.567 -3.846) 5.368 2.187 ( 1.140 3.567 -3.846) 5.368 2.418 ( 1.071 -2.589 -5.531) 6.200 2.418 ( 1.071 2.589 -5.531) 6.200 2.709 ( -1.204 -5.089 1.256) 5.378 2.709 ( -1.204 5.089 1.256) 5.378 2.845 ( 0.601 -3.410 1.261) 3.685 2.845 ( 0.601 3.410 1.261) 3.685 2.996 ( -2.494 -1.573 4.001) 4.970 2.996 ( -2.494 1.573 4.001) 4.970 3.132 ( 1.139 -3.919 -2.230) 4.651 3.132 ( 1.139 3.919 -2.230) 4.651 3.277 ( -0.132 -4.578 0.947) 4.676 3.277 ( -0.132 4.578 0.947) 4.676 3.440 ( 2.294 -1.342 0.996) 2.839 3.440 ( 2.294 1.342 0.996) 2.839 3.576 ( -0.493 -4.217 -2.773) 5.071 3.576 ( -0.493 4.217 -2.773) 5.071 3.734 ( -3.569 -1.656 -2.451) 4.635 3.734 ( -3.569 1.656 -2.451) 4.635 3.874 ( 2.424 -6.238 1.412) 6.840 3.874 ( 2.424 6.238 1.412) 6.840 3.939 ( -0.856 -2.102 0.944) 2.458 3.939 ( -0.856 2.102 0.944) 2.458 4.166 ( 0.253 -3.082 -0.050) 3.093 4.166 ( 0.253 3.082 -0.050) 3.093 4.318 ( -1.160 -2.648 4.705) 5.522 4.318 ( -1.160 2.648 4.705) 5.522 4.491 ( 1.118 -1.374 -0.369) 1.809 4.491 ( 1.118 1.374 -0.369) 1.809 4.680 ( -1.896 -1.151 0.113) 2.221 4.680 ( -1.896 1.151 0.113) 2.221 4.907 ( 2.967 -5.770 0.117) 6.490 4.907 ( 2.967 5.770 0.117) 6.490 5.101 ( -0.189 -2.874 4.785) 5.585 5.101 ( -0.189 2.874 4.785) 5.585 5.240 ( -1.971 -3.780 -2.543) 4.964 5.240 ( -1.971 3.780 -2.543) 4.964 5.618 ( 2.144 -4.013 -2.180) 5.045 5.618 ( 2.144 4.013 -2.180) 5.045 5.796 ( -4.047 -4.341 -0.003) 5.935 5.796 ( -4.047 4.341 -0.003) 5.935 6.311 ( 0.243 -7.126 0.686) 7.163 6.311 ( 0.243 7.126 0.686) 7.163 8.725 ( 1.761 -2.176 0.390) 2.826 8.725 ( 1.761 2.176 0.390) 2.826 9.109 ( 0.925 -5.124 -0.976) 5.298 9.109 ( 0.925 5.124 -0.976) 5.298 9.450 ( 2.105 -2.661 0.144) 3.396 9.450 ( 2.105 2.661 0.144) 3.396 10.028 ( -1.470 -2.577 -1.292) 3.235 10.028 ( -1.470 2.577 -1.292) 3.235 10.743 ( -0.042 -3.427 -0.610) 3.481 10.743 ( -0.042 3.427 -0.610) 3.481 10.991 ( -1.571 -5.422 0.367) 5.657 10.991 ( -1.571 5.422 0.367) 5.657 11.269 ( -2.801 -5.759 -1.370) 6.549 11.269 ( -2.801 5.759 -1.370) 6.549 11.789 ( -0.557 -6.757 0.033) 6.780 11.789 ( -0.557 6.757 0.033) 6.780 12.169 ( 0.707 -4.199 4.116) 5.922 12.169 ( 0.707 4.199 4.116) 5.922 12.656 ( 0.402 -2.671 -1.541) 3.110 12.656 ( 0.402 2.671 -1.541) 3.110 21.858 ( 0.281 -1.072 0.162) 1.120 21.858 ( 0.281 1.072 0.162) 1.120 22.497 ( -0.449 -0.436 0.169) 0.648 22.497 ( -0.449 0.436 0.169) 0.648 22.758 ( -0.388 -4.628 0.561) 4.678 22.758 ( -0.388 4.628 0.561) 4.678 23.220 ( 1.827 -4.748 0.168) 5.090 23.220 ( 1.827 4.748 0.168) 5.090 23.449 ( 1.634 -0.209 0.548) 1.737 23.449 ( 1.634 0.209 0.548) 1.737 23.703 ( -1.438 -10.222 -2.138) 10.542 23.703 ( -1.438 10.222 -2.138) 10.542 24.456 ( -0.485 -0.932 1.427) 1.772 24.456 ( -0.485 0.932 1.427) 1.772 24.857 ( -1.094 -4.732 -0.680) 4.904 24.857 ( -1.094 4.732 -0.680) 4.904 ======================= Grid point 99 (53/90) ======================= q-point: (-0.43 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( -4.684 -5.525 -1.056) 7.320 1.705 ( -4.684 5.525 -1.056) 7.320 2.091 ( 0.885 -3.899 -0.286) 4.008 2.091 ( 0.885 3.899 -0.286) 4.008 2.204 ( 0.572 -3.711 -3.782) 5.329 2.204 ( 0.572 3.711 -3.782) 5.329 2.417 ( -0.624 -2.281 -7.030) 7.417 2.417 ( -0.624 2.281 -7.030) 7.417 2.656 ( -3.514 -5.388 0.914) 6.498 2.656 ( -3.514 5.388 0.914) 6.498 2.826 ( -1.632 -2.667 2.643) 4.094 2.826 ( -1.632 2.667 2.643) 4.094 2.963 ( -2.211 -0.386 2.554) 3.400 2.963 ( -2.211 0.386 2.554) 3.400 3.107 ( -3.147 -5.090 -2.014) 6.314 3.107 ( -3.147 5.090 -2.014) 6.314 3.272 ( -0.493 -2.707 -0.068) 2.753 3.272 ( -0.493 2.707 -0.068) 2.753 3.454 ( -1.246 -3.542 -0.008) 3.755 3.454 ( -1.246 3.542 -0.008) 3.755 3.604 ( 3.343 -3.940 -1.341) 5.339 3.604 ( 3.343 3.940 -1.341) 5.339 3.706 ( 1.188 -1.690 -1.287) 2.434 3.706 ( 1.188 1.690 -1.287) 2.434 3.901 ( 0.541 -1.367 2.098) 2.562 3.901 ( 0.541 1.367 2.098) 2.562 3.951 ( 1.047 -5.301 -0.830) 5.467 3.951 ( 1.047 5.301 -0.830) 5.467 4.139 ( -1.719 -3.955 1.303) 4.505 4.139 ( -1.719 3.955 1.303) 4.505 4.310 ( -0.226 -3.933 2.849) 4.862 4.310 ( -0.226 3.933 2.849) 4.862 4.524 ( 2.038 -1.811 0.109) 2.729 4.524 ( 2.038 1.811 0.109) 2.729 4.660 ( -0.276 -2.688 0.342) 2.723 4.660 ( -0.276 2.688 0.342) 2.723 4.952 ( 0.590 -6.465 2.743) 7.047 4.952 ( 0.590 6.465 2.743) 7.047 5.113 ( 2.053 -1.105 3.998) 4.628 5.113 ( 2.053 1.105 3.998) 4.628 5.189 ( -2.605 -5.954 -4.116) 7.693 5.189 ( -2.605 5.954 -4.116) 7.693 5.678 ( 2.761 -4.044 -3.233) 5.868 5.678 ( 2.761 4.044 -3.233) 5.868 5.748 ( 0.209 -4.092 1.141) 4.253 5.748 ( 0.209 4.092 1.141) 4.253 6.308 ( -0.632 -7.142 0.662) 7.201 6.308 ( -0.632 7.142 0.662) 7.201 8.726 ( -1.648 -1.695 0.396) 2.397 8.726 ( -1.648 1.695 0.396) 2.397 9.111 ( -0.579 -5.400 -0.904) 5.505 9.111 ( -0.579 5.400 -0.904) 5.505 9.462 ( -0.801 -2.873 0.394) 3.009 9.462 ( -0.801 2.873 0.394) 3.009 10.034 ( 2.096 -2.811 -1.165) 3.695 10.034 ( 2.096 2.811 -1.165) 3.695 10.754 ( 1.253 -3.444 -0.448) 3.692 10.754 ( 1.253 3.444 -0.448) 3.692 10.985 ( 0.787 -6.016 0.290) 6.075 10.985 ( 0.787 6.016 0.290) 6.075 11.239 ( -0.248 -6.294 -1.916) 6.584 11.239 ( -0.248 6.294 -1.916) 6.584 11.789 ( 0.668 -7.071 0.021) 7.103 11.789 ( 0.668 7.071 0.021) 7.103 12.172 ( -0.674 -5.352 4.094) 6.772 12.172 ( -0.674 5.352 4.094) 6.772 12.661 ( 0.166 -1.932 -1.422) 2.404 12.661 ( 0.166 1.932 -1.422) 2.404 21.861 ( 0.063 -1.060 0.238) 1.088 21.861 ( 0.063 1.060 0.238) 1.088 22.497 ( 0.477 -0.738 0.172) 0.895 22.497 ( 0.477 0.738 0.172) 0.895 22.748 ( -0.636 -4.467 0.354) 4.526 22.748 ( -0.636 4.467 0.354) 4.526 23.217 ( -2.058 -4.497 0.073) 4.946 23.217 ( -2.058 4.497 0.073) 4.946 23.445 ( -2.146 -1.317 0.457) 2.559 23.445 ( -2.146 1.317 0.457) 2.559 23.701 ( 1.460 -10.293 -2.059) 10.598 23.701 ( 1.460 10.293 -2.059) 10.598 24.475 ( 2.252 -1.941 1.792) 3.472 24.475 ( 2.252 1.941 1.792) 3.472 24.851 ( 0.628 -4.924 -0.824) 5.032 24.851 ( 0.628 4.924 -0.824) 5.032 ======================= Grid point 101 (54/90) ======================= q-point: (-0.29 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( -13.580 -8.312 -0.989) 15.952 1.525 ( -13.580 8.312 -0.989) 15.952 2.048 ( -4.940 -5.380 0.488) 7.320 2.048 ( -4.940 5.380 0.488) 7.320 2.203 ( -0.453 -2.608 -0.157) 2.651 2.203 ( -0.453 2.608 -0.157) 2.651 2.401 ( -0.936 -3.946 -7.635) 8.645 2.401 ( -0.936 3.946 -7.635) 8.645 2.612 ( -1.630 -2.587 0.865) 3.178 2.612 ( -1.630 2.587 0.865) 3.178 2.773 ( -3.732 -5.593 1.451) 6.879 2.773 ( -3.732 5.593 1.451) 6.879 2.929 ( -1.641 -4.016 -0.572) 4.376 2.929 ( -1.641 4.016 -0.572) 4.376 3.035 ( -3.450 -3.343 -1.607) 5.065 3.035 ( -3.450 3.343 -1.607) 5.065 3.255 ( -1.258 -2.266 -0.605) 2.662 3.255 ( -1.258 2.266 -0.605) 2.662 3.414 ( -2.081 -3.665 1.552) 4.491 3.414 ( -2.081 3.665 1.552) 4.491 3.653 ( 0.639 -3.333 -2.828) 4.417 3.653 ( 0.639 3.333 -2.828) 4.417 3.758 ( 3.156 -2.697 0.883) 4.244 3.758 ( 3.156 2.697 0.883) 4.244 3.899 ( 0.324 -3.181 0.232) 3.205 3.899 ( 0.324 3.181 0.232) 3.205 3.988 ( 3.187 -3.093 2.162) 4.939 3.988 ( 3.187 3.093 2.162) 4.939 4.143 ( 1.790 -3.031 -0.091) 3.521 4.143 ( 1.790 3.031 -0.091) 3.521 4.315 ( 1.314 -2.690 3.330) 4.478 4.315 ( 1.314 2.690 3.330) 4.478 4.547 ( -0.154 -1.907 -0.683) 2.031 4.547 ( -0.154 1.907 -0.683) 2.031 4.658 ( -0.105 -3.923 -0.230) 3.931 4.658 ( -0.105 3.923 -0.230) 3.931 4.924 ( -2.770 -4.615 1.600) 5.616 4.924 ( -2.770 4.615 1.600) 5.616 5.111 ( -2.252 -6.830 -2.131) 7.501 5.111 ( -2.252 6.830 -2.131) 7.501 5.228 ( 5.813 -2.195 3.447) 7.106 5.228 ( 5.813 2.195 3.447) 7.106 5.678 ( -0.974 -1.318 -2.816) 3.258 5.678 ( -0.974 1.318 -2.816) 3.258 5.820 ( 5.078 -5.478 0.961) 7.531 5.820 ( 5.078 5.478 0.961) 7.531 6.291 ( -1.148 -7.106 0.513) 7.216 6.291 ( -1.148 7.106 0.513) 7.216 8.672 ( -3.790 -1.404 0.705) 4.102 8.672 ( -3.790 1.404 0.705) 4.102 9.087 ( -1.878 -5.451 -1.822) 6.047 9.087 ( -1.878 5.451 -1.822) 6.047 9.431 ( -2.229 -3.552 0.990) 4.309 9.431 ( -2.229 3.552 0.990) 4.309 10.089 ( 3.379 -3.293 -1.462) 4.940 10.089 ( 3.379 3.293 -1.462) 4.940 10.784 ( 1.521 -2.178 -0.052) 2.657 10.784 ( 1.521 2.178 -0.052) 2.657 11.010 ( 1.826 -7.031 0.458) 7.279 11.010 ( 1.826 7.031 0.458) 7.279 11.267 ( 3.322 -5.617 -3.112) 7.230 11.267 ( 3.322 5.617 -3.112) 7.230 11.813 ( 1.712 -6.287 0.351) 6.525 11.813 ( 1.712 6.287 0.351) 6.525 12.149 ( -1.806 -5.439 4.035) 7.009 12.149 ( -1.806 5.439 4.035) 7.009 12.660 ( -0.195 -3.382 -0.812) 3.483 12.660 ( -0.195 3.382 -0.812) 3.483 21.860 ( -0.211 -0.956 0.298) 1.024 21.860 ( -0.211 0.956 0.298) 1.024 22.513 ( 1.210 -1.310 0.125) 1.787 22.513 ( 1.210 1.310 0.125) 1.787 22.738 ( -0.360 -4.106 -0.068) 4.122 22.738 ( -0.360 4.106 -0.068) 4.122 23.147 ( -5.131 -3.026 -0.121) 5.958 23.147 ( -5.131 3.026 -0.121) 5.958 23.398 ( -2.148 -1.922 -0.384) 2.908 23.398 ( -2.148 1.922 -0.384) 2.908 23.739 ( 2.166 -7.748 -0.240) 8.049 23.739 ( 2.166 7.748 -0.240) 8.049 24.517 ( 1.396 -1.709 1.627) 2.741 24.517 ( 1.396 1.709 1.627) 2.741 24.886 ( 3.255 -3.253 -1.204) 4.757 24.886 ( 3.255 3.253 -1.204) 4.757 ======================= Grid point 103 (55/90) ======================= q-point: (-0.14 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( -12.792 -8.047 -0.735) 15.130 1.259 ( -12.792 8.047 -0.735) 15.130 1.943 ( -5.508 -7.021 0.426) 8.934 1.943 ( -5.508 7.021 0.426) 8.934 2.187 ( -1.466 -4.145 0.614) 4.440 2.187 ( -1.466 4.145 0.614) 4.440 2.360 ( -2.983 -7.927 -3.553) 9.185 2.360 ( -2.983 7.927 -3.553) 9.185 2.566 ( -2.485 -1.967 0.573) 3.220 2.566 ( -2.485 1.967 0.573) 3.220 2.759 ( 2.336 -3.020 -1.648) 4.158 2.759 ( 2.336 3.020 -1.648) 4.158 2.861 ( -4.742 -2.642 -2.154) 5.840 2.861 ( -4.742 2.642 -2.154) 5.840 3.020 ( 1.238 -1.900 -0.785) 2.400 3.020 ( 1.238 1.900 -0.785) 2.400 3.238 ( -0.081 -2.101 -1.501) 2.583 3.238 ( -0.081 2.101 -1.501) 2.583 3.395 ( -0.205 -2.224 3.772) 4.384 3.395 ( -0.205 2.224 3.772) 4.384 3.614 ( -3.765 -2.505 -3.617) 5.791 3.614 ( -3.765 2.505 -3.617) 5.791 3.791 ( 0.906 -3.361 -0.772) 3.565 3.791 ( 0.906 3.361 -0.772) 3.565 3.943 ( 3.053 -1.257 0.003) 3.302 3.943 ( 3.053 1.257 0.003) 3.302 4.056 ( 3.363 -3.437 6.132) 7.793 4.056 ( 3.363 3.437 6.132) 7.793 4.192 ( 3.313 -2.247 -0.951) 4.114 4.192 ( 3.313 2.247 -0.951) 4.114 4.352 ( 1.258 -2.645 2.473) 3.833 4.352 ( 1.258 2.645 2.473) 3.833 4.519 ( -1.978 -0.828 -0.374) 2.177 4.519 ( -1.978 0.828 -0.374) 2.177 4.651 ( -0.632 -3.768 -2.159) 4.388 4.651 ( -0.632 3.768 -2.159) 4.388 4.885 ( -0.882 -3.136 1.876) 3.759 4.885 ( -0.882 3.136 1.876) 3.759 5.077 ( -1.042 -7.110 -1.331) 7.308 5.077 ( -1.042 7.110 -1.331) 7.308 5.317 ( 2.566 -3.356 1.613) 4.522 5.317 ( 2.566 3.356 1.613) 4.522 5.662 ( -0.551 -2.246 -1.350) 2.677 5.662 ( -0.551 2.246 -1.350) 2.677 5.900 ( 3.243 -6.859 1.289) 7.696 5.900 ( 3.243 6.859 1.289) 7.696 6.272 ( -0.650 -6.864 0.179) 6.898 6.272 ( -0.650 6.864 0.179) 6.898 8.604 ( -3.090 -1.504 0.881) 3.548 8.604 ( -3.090 1.504 0.881) 3.548 9.049 ( -1.816 -5.070 -2.689) 6.019 9.049 ( -1.816 5.070 -2.689) 6.019 9.391 ( -1.940 -3.253 1.316) 4.010 9.391 ( -1.940 3.253 1.316) 4.010 10.145 ( 2.466 -3.145 -1.642) 4.321 10.145 ( 2.466 3.145 -1.642) 4.321 10.790 ( -0.819 -1.006 -0.638) 1.446 10.790 ( -0.819 1.006 -0.638) 1.446 11.058 ( 2.950 -7.511 0.552) 8.088 11.058 ( 2.950 7.511 0.552) 8.088 11.344 ( 4.569 -3.814 -2.910) 6.625 11.344 ( 4.569 3.814 -2.910) 6.625 11.842 ( 1.012 -4.764 0.201) 4.875 11.842 ( 1.012 4.764 0.201) 4.875 12.116 ( -1.604 -4.488 4.129) 6.306 12.116 ( -1.604 4.488 4.129) 6.306 12.654 ( -0.405 -5.252 -0.059) 5.268 12.654 ( -0.405 5.252 -0.059) 5.268 21.855 ( -0.332 -0.825 0.293) 0.936 21.855 ( -0.332 0.825 0.293) 0.936 22.538 ( 1.200 -1.862 0.013) 2.215 22.538 ( 1.200 1.862 0.013) 2.215 22.737 ( 0.241 -3.674 -0.336) 3.697 22.737 ( 0.241 3.674 -0.336) 3.697 23.050 ( -4.440 -2.016 -0.082) 4.877 23.050 ( -4.440 2.016 -0.082) 4.877 23.372 ( -0.630 -1.405 -0.852) 1.760 23.372 ( -0.630 1.405 -0.852) 1.760 23.772 ( 1.252 -6.359 1.045) 6.565 23.772 ( 1.252 6.359 1.045) 6.565 24.520 ( -0.766 -0.974 1.150) 1.691 24.520 ( -0.766 0.974 1.150) 1.691 24.957 ( 3.660 -1.969 -1.425) 4.394 24.957 ( 3.660 1.969 -1.425) 4.394 ======================= Grid point 126 (56/90) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( -1.088 0.000 16.650) 16.686 0.904 ( -6.327 0.000 17.312) 18.432 1.371 ( 0.416 0.000 -12.486) 12.492 1.391 ( 2.498 0.000 -7.372) 7.784 1.738 ( 6.106 0.000 9.154) 11.004 1.793 ( -6.718 0.000 -0.308) 6.726 2.043 ( 2.639 0.000 25.575) 25.711 2.155 ( 0.496 0.000 -0.056) 0.499 2.356 ( -0.913 0.000 0.353) 0.979 2.443 ( 2.271 0.000 3.105) 3.847 2.512 ( 0.258 0.000 2.067) 2.083 2.594 ( 2.431 0.000 -0.846) 2.574 2.631 ( 0.657 0.000 -0.279) 0.714 2.833 ( -4.539 0.000 -8.479) 9.617 3.009 ( 3.123 0.000 -6.190) 6.933 3.111 ( -1.031 0.000 1.442) 1.773 3.239 ( 1.728 0.000 0.095) 1.731 3.270 ( 1.323 0.000 4.019) 4.231 3.294 ( -2.566 0.000 -1.569) 3.008 3.350 ( 0.403 0.000 -1.740) 1.786 3.406 ( -7.652 0.000 2.373) 8.012 3.500 ( 1.593 0.000 -4.794) 5.052 3.517 ( 4.491 0.000 -4.246) 6.181 3.649 ( 1.249 0.000 0.012) 1.249 3.834 ( -1.154 0.000 3.075) 3.284 3.922 ( -0.053 0.000 2.031) 2.032 4.034 ( -0.644 0.000 -2.425) 2.509 4.066 ( -0.725 0.000 -0.382) 0.819 4.108 ( -2.899 0.000 -1.259) 3.160 4.174 ( -1.246 0.000 0.739) 1.448 4.292 ( 0.564 0.000 -1.160) 1.290 4.329 ( 3.189 0.000 -1.422) 3.492 4.359 ( 2.727 0.000 -1.890) 3.318 4.524 ( -0.388 0.000 2.977) 3.002 4.617 ( 1.787 0.000 -2.353) 2.955 4.657 ( -6.538 0.000 -4.898) 8.169 4.762 ( 1.461 0.000 1.780) 2.303 4.842 ( 0.047 0.000 -0.765) 0.766 4.922 ( -6.708 0.000 -6.294) 9.199 5.040 ( -0.618 0.000 0.982) 1.160 5.340 ( 5.532 0.000 5.746) 7.976 5.394 ( -1.398 0.000 0.526) 1.494 5.490 ( -2.016 0.000 -4.495) 4.927 5.706 ( 2.726 0.000 1.913) 3.330 5.780 ( -0.753 0.000 -0.710) 1.035 6.105 ( -0.615 0.000 -0.449) 0.762 6.507 ( -3.294 0.000 9.052) 9.633 6.965 ( 6.156 0.000 -6.877) 9.230 8.414 ( 0.087 0.000 -0.170) 0.191 8.666 ( 0.063 0.000 0.718) 0.721 9.021 ( -0.467 0.000 -0.963) 1.071 9.168 ( 0.050 0.000 0.608) 0.610 9.268 ( 0.328 0.000 2.996) 3.014 9.500 ( -0.250 0.000 -2.378) 2.391 9.984 ( -0.716 0.000 -0.174) 0.737 10.278 ( 1.716 0.000 -0.295) 1.741 10.431 ( -0.196 0.000 -0.192) 0.274 10.630 ( 1.057 0.000 -0.856) 1.360 11.081 ( -0.134 0.000 0.001) 0.134 11.230 ( -0.104 0.000 -1.186) 1.191 11.431 ( -3.254 0.000 1.339) 3.519 11.480 ( 3.974 0.000 0.842) 4.062 11.546 ( -0.294 0.000 5.479) 5.487 11.690 ( 0.688 0.000 -6.160) 6.199 11.749 ( 0.149 0.000 -0.188) 0.240 12.414 ( -4.320 0.000 0.242) 4.327 12.998 ( 4.806 0.000 1.288) 4.976 13.080 ( -2.422 0.000 -0.330) 2.444 21.787 ( 0.020 0.000 -0.108) 0.110 21.803 ( -0.020 0.000 0.018) 0.027 21.863 ( -0.171 0.000 0.308) 0.352 22.357 ( 0.611 0.000 1.218) 1.362 22.395 ( -0.748 0.000 -0.619) 0.971 22.908 ( -0.051 0.000 -0.036) 0.063 23.001 ( -2.029 0.000 1.027) 2.274 23.143 ( 1.068 0.000 -1.727) 2.030 23.355 ( 0.220 0.000 -0.145) 0.263 23.397 ( 0.987 0.000 0.138) 0.997 23.596 ( -4.017 0.000 0.455) 4.043 24.426 ( 6.331 0.000 0.661) 6.366 24.454 ( -2.912 0.000 -0.582) 2.969 24.614 ( 0.179 0.000 -0.383) 0.422 24.647 ( 1.005 0.000 -0.131) 1.014 25.251 ( 0.895 0.000 0.197) 0.917 ======================= Grid point 127 (57/90) ======================= q-point: ( 0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( 7.111 0.000 16.159) 17.654 0.933 ( 9.550 0.000 18.995) 21.260 1.412 ( 4.570 0.000 -13.086) 13.862 1.463 ( 3.748 0.000 -4.482) 5.843 1.640 ( -5.689 0.000 -2.057) 6.049 1.935 ( 11.059 0.000 8.665) 14.050 2.126 ( 3.666 0.000 13.182) 13.683 2.201 ( 3.567 0.000 7.242) 8.073 2.319 ( -2.216 0.000 0.382) 2.249 2.471 ( 0.017 0.000 4.679) 4.679 2.539 ( 1.293 0.000 0.837) 1.540 2.614 ( 1.136 0.000 -6.886) 6.979 2.681 ( 2.256 0.000 -2.570) 3.420 2.767 ( 0.665 0.000 -7.570) 7.600 2.986 ( -3.776 0.000 -0.282) 3.787 3.098 ( -7.996 0.000 -0.665) 8.023 3.179 ( -0.431 0.000 -0.182) 0.468 3.238 ( 1.590 0.000 -4.724) 4.984 3.294 ( -4.241 0.000 5.774) 7.164 3.383 ( 6.679 0.000 0.096) 6.680 3.415 ( 6.124 0.000 0.192) 6.127 3.536 ( 0.209 0.000 -1.242) 1.259 3.591 ( 6.130 0.000 -4.864) 7.826 3.712 ( 3.074 0.000 -0.882) 3.198 3.862 ( 3.992 0.000 4.111) 5.730 3.938 ( 0.189 0.000 3.284) 3.289 4.018 ( -1.330 0.000 -1.263) 1.834 4.062 ( -0.536 0.000 -2.106) 2.173 4.079 ( 0.613 0.000 4.295) 4.339 4.139 ( -1.754 0.000 -1.180) 2.114 4.282 ( -2.181 0.000 -0.797) 2.323 4.337 ( -2.225 0.000 -1.393) 2.625 4.407 ( 4.636 0.000 -7.114) 8.491 4.517 ( -1.599 0.000 2.319) 2.817 4.554 ( -0.928 0.000 1.338) 1.629 4.639 ( -0.834 0.000 -0.083) 0.838 4.735 ( -3.571 0.000 -0.055) 3.571 4.867 ( 1.332 0.000 5.847) 5.997 4.894 ( 3.293 0.000 -2.429) 4.092 5.025 ( -0.927 0.000 1.203) 1.518 5.325 ( -4.473 0.000 -1.962) 4.885 5.409 ( -1.466 0.000 2.419) 2.829 5.440 ( -0.750 0.000 -1.858) 2.003 5.748 ( 1.056 0.000 -3.029) 3.208 5.764 ( -0.640 0.000 0.406) 0.757 6.088 ( -2.160 0.000 1.498) 2.629 6.373 ( -9.539 0.000 6.314) 11.440 6.918 ( -9.193 0.000 -7.352) 11.772 8.428 ( 1.351 0.000 -0.232) 1.371 8.692 ( 2.471 0.000 0.516) 2.524 9.023 ( -0.322 0.000 2.334) 2.356 9.160 ( -1.013 0.000 0.807) 1.296 9.281 ( 1.261 0.000 0.632) 1.410 9.484 ( -1.030 0.000 -1.191) 1.575 9.944 ( -3.106 0.000 -0.407) 3.133 10.336 ( 4.186 0.000 -1.848) 4.576 10.470 ( 3.426 0.000 -0.319) 3.441 10.615 ( -1.463 0.000 -2.758) 3.122 11.094 ( 1.164 0.000 -0.024) 1.165 11.190 ( -6.109 0.000 -0.719) 6.151 11.294 ( -7.170 0.000 1.939) 7.428 11.491 ( -1.571 0.000 -1.719) 2.329 11.556 ( -0.457 0.000 3.838) 3.865 11.688 ( 0.320 0.000 -5.065) 5.075 11.748 ( 0.750 0.000 1.054) 1.293 12.456 ( 3.326 0.000 8.660) 9.277 12.877 ( -5.537 0.000 -5.771) 7.997 13.203 ( 6.002 0.000 -0.199) 6.006 21.786 ( -0.038 0.000 -0.142) 0.147 21.803 ( 0.008 0.000 0.059) 0.060 21.864 ( 0.296 0.000 0.558) 0.632 22.367 ( 0.154 0.000 -0.292) 0.330 22.402 ( 1.636 0.000 0.883) 1.859 22.907 ( -0.305 0.000 0.762) 0.820 22.964 ( -1.378 0.000 3.413) 3.680 23.190 ( 3.364 0.000 -1.636) 3.741 23.346 ( -0.517 0.000 -1.148) 1.259 23.421 ( 0.755 0.000 -0.292) 0.810 23.524 ( -2.650 0.000 6.950) 7.438 24.235 ( -13.656 0.000 -3.695) 14.147 24.468 ( -0.290 0.000 0.301) 0.418 24.596 ( -1.946 0.000 -0.141) 1.951 24.850 ( 12.033 0.000 -2.862) 12.369 25.180 ( -7.093 0.000 -1.286) 7.209 ======================= Grid point 128 (58/90) ======================= q-point: ( 0.29 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( 7.572 0.000 14.428) 16.294 1.216 ( 17.778 0.000 13.491) 22.318 1.438 ( -3.907 0.000 -2.854) 4.838 1.527 ( 7.449 0.000 -7.560) 10.613 1.648 ( 4.972 0.000 -5.681) 7.549 2.091 ( 0.122 0.000 3.621) 3.623 2.179 ( 5.217 0.000 3.778) 6.441 2.200 ( -5.455 0.000 8.348) 9.972 2.317 ( 2.323 0.000 1.594) 2.818 2.439 ( -3.553 0.000 -1.533) 3.870 2.539 ( 0.081 0.000 1.744) 1.746 2.672 ( 1.073 0.000 2.428) 2.654 2.686 ( 3.273 0.000 -15.636) 15.975 2.833 ( 0.039 0.000 -5.772) 5.772 2.921 ( 0.673 0.000 2.852) 2.930 2.959 ( -5.368 0.000 0.182) 5.371 3.150 ( -0.095 0.000 2.688) 2.690 3.249 ( -0.727 0.000 4.716) 4.772 3.341 ( 6.035 0.000 -4.068) 7.278 3.486 ( 4.936 0.000 -2.434) 5.504 3.538 ( 6.044 0.000 0.580) 6.072 3.596 ( 4.854 0.000 0.121) 4.856 3.708 ( 5.477 0.000 -1.520) 5.684 3.743 ( 2.140 0.000 2.103) 3.000 3.906 ( -3.183 0.000 5.284) 6.169 3.921 ( 0.695 0.000 0.516) 0.866 3.987 ( -0.767 0.000 2.461) 2.577 4.027 ( -2.148 0.000 -1.961) 2.908 4.102 ( 0.142 0.000 3.535) 3.538 4.141 ( 1.088 0.000 -2.180) 2.436 4.265 ( 1.472 0.000 0.619) 1.597 4.338 ( 2.367 0.000 0.714) 2.472 4.427 ( -2.679 0.000 -3.583) 4.473 4.538 ( 3.718 0.000 -1.113) 3.881 4.560 ( -0.297 0.000 -1.517) 1.546 4.623 ( -0.076 0.000 2.185) 2.186 4.689 ( -0.097 0.000 2.435) 2.437 4.850 ( -3.301 0.000 4.023) 5.204 4.983 ( 4.828 0.000 0.440) 4.849 5.022 ( 1.801 0.000 0.995) 2.058 5.275 ( -1.346 0.000 0.115) 1.351 5.287 ( -6.806 0.000 -7.282) 9.968 5.461 ( 0.048 0.000 5.510) 5.511 5.728 ( -3.333 0.000 -7.140) 7.879 5.752 ( -0.995 0.000 0.605) 1.164 5.971 ( -10.453 0.000 1.461) 10.554 6.245 ( -3.343 0.000 0.038) 3.343 6.705 ( -11.280 0.000 -2.216) 11.496 8.458 ( 1.710 0.000 -0.115) 1.714 8.746 ( 2.873 0.000 0.154) 2.877 9.015 ( -0.230 0.000 6.998) 7.002 9.133 ( -1.604 0.000 1.200) 2.004 9.290 ( -0.994 0.000 -4.176) 4.292 9.475 ( 0.148 0.000 1.393) 1.401 9.876 ( -3.680 0.000 -0.925) 3.795 10.423 ( 4.659 0.000 -1.389) 4.862 10.513 ( 0.898 0.000 -0.850) 1.236 10.625 ( 3.113 0.000 -3.008) 4.329 11.025 ( -8.350 0.000 -1.150) 8.429 11.090 ( -2.816 0.000 -0.612) 2.882 11.236 ( 0.102 0.000 0.735) 0.742 11.446 ( -2.974 0.000 -1.583) 3.369 11.539 ( -0.918 0.000 1.526) 1.781 11.689 ( -0.029 0.000 -0.774) 0.774 11.785 ( 2.466 0.000 -0.251) 2.478 12.425 ( -5.300 0.000 9.844) 11.180 12.885 ( 4.669 0.000 -6.452) 7.964 13.270 ( 1.638 0.000 -0.675) 1.772 21.785 ( -0.071 0.000 -0.151) 0.167 21.804 ( 0.020 0.000 0.074) 0.077 21.874 ( 0.626 0.000 0.690) 0.932 22.367 ( -0.022 0.000 -0.566) 0.566 22.441 ( 2.117 0.000 1.122) 2.396 22.899 ( -0.209 0.000 5.035) 5.039 22.958 ( 0.206 0.000 2.758) 2.765 23.229 ( 0.065 0.000 -0.077) 0.101 23.350 ( 0.756 0.000 -2.117) 2.248 23.414 ( -0.211 0.000 3.994) 4.000 23.533 ( 2.721 0.000 1.967) 3.358 23.971 ( -13.836 0.000 -6.853) 15.440 24.458 ( -0.694 0.000 0.740) 1.015 24.554 ( -2.202 0.000 0.080) 2.204 25.023 ( 6.288 0.000 -0.062) 6.288 25.055 ( -4.690 0.000 -3.193) 5.674 ======================= Grid point 129 (59/90) ======================= q-point: ( 0.43 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( 2.028 0.000 10.886) 11.073 1.392 ( -0.921 0.000 -0.051) 0.922 1.537 ( 13.928 0.000 4.897) 14.764 1.671 ( 7.422 0.000 -5.391) 9.173 1.730 ( 2.823 0.000 -3.026) 4.139 1.976 ( -9.267 0.000 11.667) 14.899 2.058 ( -7.290 0.000 1.652) 7.475 2.278 ( 1.773 0.000 2.922) 3.418 2.370 ( -0.488 0.000 -9.952) 9.964 2.404 ( 5.806 0.000 -2.664) 6.388 2.526 ( -3.214 0.000 3.255) 4.574 2.661 ( -2.034 0.000 1.731) 2.671 2.688 ( -1.766 0.000 -6.811) 7.036 2.811 ( -0.286 0.000 -8.066) 8.071 2.875 ( -3.155 0.000 2.901) 4.286 2.966 ( 0.935 0.000 -3.516) 3.639 3.221 ( 3.555 0.000 1.687) 3.935 3.257 ( 3.143 0.000 7.581) 8.207 3.431 ( 3.249 0.000 0.565) 3.298 3.564 ( 2.345 0.000 -0.695) 2.446 3.634 ( -0.306 0.000 0.167) 0.349 3.645 ( 4.868 0.000 -1.275) 5.033 3.692 ( -3.530 0.000 1.802) 3.963 3.816 ( -4.741 0.000 0.859) 4.818 3.847 ( 2.585 0.000 -0.596) 2.653 3.943 ( 1.637 0.000 4.755) 5.029 3.998 ( 1.665 0.000 0.006) 1.665 4.036 ( 3.196 0.000 3.360) 4.637 4.097 ( -0.382 0.000 0.426) 0.572 4.157 ( 1.870 0.000 3.862) 4.291 4.292 ( 1.058 0.000 1.196) 1.597 4.341 ( -3.052 0.000 -1.478) 3.391 4.420 ( 0.522 0.000 0.533) 0.746 4.547 ( 1.012 0.000 -4.522) 4.634 4.596 ( 1.306 0.000 3.282) 3.533 4.619 ( 1.675 0.000 -2.118) 2.700 4.740 ( 2.473 0.000 -1.005) 2.670 4.793 ( -1.922 0.000 1.504) 2.441 5.003 ( 0.030 0.000 0.631) 0.631 5.079 ( -4.230 0.000 -4.680) 6.308 5.198 ( 6.231 0.000 2.544) 6.731 5.352 ( 7.421 0.000 0.403) 7.432 5.443 ( -1.292 0.000 3.887) 4.096 5.587 ( -10.585 0.000 -7.019) 12.701 5.723 ( -4.116 0.000 -4.274) 5.934 5.797 ( -4.758 0.000 -0.937) 4.850 6.213 ( -0.895 0.000 0.284) 0.939 6.547 ( -5.077 0.000 1.236) 5.226 8.483 ( 0.721 0.000 0.156) 0.738 8.785 ( 1.103 0.000 0.098) 1.107 9.031 ( 1.580 0.000 8.408) 8.555 9.114 ( -0.254 0.000 1.269) 1.295 9.245 ( -2.927 0.000 -6.026) 6.699 9.484 ( 0.538 0.000 1.478) 1.573 9.824 ( -1.595 0.000 -0.374) 1.638 10.482 ( 1.179 0.000 -1.015) 1.555 10.523 ( 0.707 0.000 -0.056) 0.709 10.708 ( 4.983 0.000 -2.541) 5.593 10.890 ( -6.641 0.000 -1.729) 6.862 11.023 ( -2.351 0.000 -1.484) 2.781 11.275 ( 3.082 0.000 0.844) 3.196 11.382 ( -3.694 0.000 -0.810) 3.782 11.532 ( 0.210 0.000 -0.059) 0.218 11.686 ( -0.357 0.000 1.510) 1.552 11.816 ( 0.488 0.000 0.082) 0.494 12.356 ( -1.309 0.000 4.989) 5.158 12.962 ( 2.791 0.000 -4.232) 5.070 13.280 ( -0.205 0.000 -0.159) 0.260 21.784 ( -0.045 0.000 -0.130) 0.137 21.804 ( 0.018 0.000 0.058) 0.060 21.885 ( 0.420 0.000 0.653) 0.776 22.366 ( -0.077 0.000 -0.373) 0.381 22.473 ( 1.110 0.000 0.830) 1.385 22.918 ( 2.143 0.000 8.279) 8.552 22.962 ( -0.026 0.000 2.535) 2.535 23.200 ( -2.583 0.000 -1.014) 2.775 23.334 ( -2.167 0.000 4.332) 4.844 23.453 ( 3.156 0.000 -2.387) 3.957 23.592 ( 2.338 0.000 -0.111) 2.340 23.751 ( -7.784 0.000 -6.921) 10.416 24.449 ( -0.197 0.000 1.091) 1.109 24.524 ( -0.799 0.000 -0.430) 0.907 24.986 ( -1.946 0.000 -1.438) 2.420 25.113 ( 2.597 0.000 -0.948) 2.765 ======================= Grid point 130 (60/90) ======================= q-point: (-0.43 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( 0.559 0.000 11.456) 11.470 1.356 ( -3.486 0.000 -1.351) 3.739 1.595 ( -6.881 0.000 -0.028) 6.881 1.683 ( -9.792 0.000 -0.302) 9.796 1.744 ( -1.536 0.000 -8.557) 8.694 1.951 ( 7.388 0.000 14.407) 16.191 1.997 ( 2.739 0.000 6.968) 7.487 2.291 ( 1.307 0.000 -2.398) 2.731 2.369 ( -2.178 0.000 -7.712) 8.014 2.401 ( -5.119 0.000 0.877) 5.194 2.542 ( 3.278 0.000 -0.424) 3.305 2.625 ( 0.951 0.000 0.179) 0.968 2.671 ( -0.213 0.000 1.655) 1.669 2.761 ( -5.037 0.000 -4.810) 6.965 2.850 ( 0.600 0.000 2.342) 2.418 2.990 ( 2.364 0.000 -4.243) 4.858 3.236 ( 0.226 0.000 -0.348) 0.414 3.286 ( -3.433 0.000 5.527) 6.506 3.464 ( -0.189 0.000 0.218) 0.289 3.528 ( -6.302 0.000 -1.430) 6.462 3.561 ( -3.697 0.000 5.469) 6.601 3.655 ( -1.594 0.000 0.891) 1.826 3.728 ( 0.359 0.000 -1.938) 1.971 3.784 ( 4.607 0.000 1.989) 5.018 3.853 ( -1.042 0.000 -0.786) 1.306 3.957 ( -0.683 0.000 4.348) 4.401 4.018 ( -1.202 0.000 0.788) 1.438 4.064 ( -0.149 0.000 -1.190) 1.200 4.107 ( 1.345 0.000 1.117) 1.748 4.201 ( -1.755 0.000 0.226) 1.769 4.283 ( 0.227 0.000 2.297) 2.309 4.334 ( 2.101 0.000 -0.464) 2.152 4.403 ( 0.443 0.000 2.166) 2.211 4.545 ( -2.543 0.000 -3.271) 4.143 4.606 ( -0.033 0.000 -2.157) 2.158 4.680 ( 3.133 0.000 -0.410) 3.160 4.747 ( -0.668 0.000 -3.595) 3.657 4.766 ( 0.068 0.000 -4.223) 4.223 5.017 ( 1.412 0.000 -1.136) 1.813 5.047 ( 2.622 0.000 4.239) 4.984 5.267 ( -5.502 0.000 -2.085) 5.884 5.413 ( -2.767 0.000 -4.251) 5.072 5.452 ( 2.284 0.000 -4.204) 4.784 5.565 ( 12.448 0.000 0.815) 12.475 5.641 ( -0.109 0.000 1.532) 1.535 5.790 ( 2.553 0.000 -0.524) 2.606 6.201 ( -0.471 0.000 1.220) 1.308 6.515 ( 1.283 0.000 4.133) 4.327 8.481 ( -0.947 0.000 0.360) 1.013 8.784 ( -1.289 0.000 0.261) 1.315 9.073 ( 2.278 0.000 7.082) 7.439 9.127 ( 1.460 0.000 2.173) 2.618 9.196 ( -1.707 0.000 -6.017) 6.254 9.493 ( 0.364 0.000 0.591) 0.694 9.819 ( 0.977 0.000 0.090) 0.981 10.469 ( -2.164 0.000 0.120) 2.167 10.538 ( 0.287 0.000 -1.300) 1.331 10.695 ( -6.383 0.000 -1.961) 6.678 10.869 ( 5.166 0.000 0.470) 5.188 11.031 ( 3.158 0.000 -2.054) 3.767 11.296 ( -2.725 0.000 -1.116) 2.945 11.352 ( 2.357 0.000 1.946) 3.057 11.548 ( 1.487 0.000 -1.414) 2.052 11.672 ( -1.519 0.000 2.860) 3.238 11.805 ( -1.271 0.000 0.946) 1.584 12.395 ( 5.234 0.000 1.885) 5.563 12.966 ( -2.431 0.000 -5.257) 5.792 13.271 ( -0.607 0.000 0.827) 1.025 21.784 ( 0.020 0.000 -0.101) 0.103 21.804 ( 0.009 0.000 0.032) 0.033 21.888 ( -0.177 0.000 0.434) 0.469 22.363 ( -0.223 0.000 -0.109) 0.248 22.479 ( -0.547 0.000 0.305) 0.626 22.950 ( -0.623 0.000 -0.182) 0.649 22.994 ( 4.231 0.000 8.803) 9.767 23.156 ( -1.127 0.000 0.923) 1.457 23.286 ( -3.106 0.000 4.688) 5.623 23.488 ( -0.574 0.000 -2.837) 2.894 23.570 ( -1.250 0.000 1.175) 1.716 23.743 ( 4.787 0.000 -5.763) 7.492 24.451 ( 0.265 0.000 0.908) 0.946 24.527 ( 1.197 0.000 -0.714) 1.393 24.974 ( 0.552 0.000 -0.401) 0.682 25.123 ( -1.358 0.000 -1.805) 2.259 ======================= Grid point 131 (61/90) ======================= q-point: (-0.29 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( -9.577 0.000 14.158) 17.093 1.318 ( -3.542 0.000 3.397) 4.908 1.405 ( -8.608 0.000 3.003) 9.117 1.500 ( -7.484 0.000 -6.734) 10.067 1.663 ( -4.300 0.000 -9.620) 10.537 2.032 ( 1.324 0.000 4.306) 4.505 2.105 ( 0.267 0.000 22.259) 22.260 2.245 ( -5.544 0.000 -2.032) 5.905 2.313 ( 0.882 0.000 -0.089) 0.886 2.392 ( 1.211 0.000 -0.950) 1.540 2.527 ( -0.294 0.000 -0.431) 0.522 2.608 ( -6.599 0.000 -1.906) 6.869 2.660 ( -1.641 0.000 4.128) 4.443 2.769 ( 7.571 0.000 -1.808) 7.784 2.886 ( 2.582 0.000 2.476) 3.578 3.046 ( 3.492 0.000 -5.339) 6.379 3.189 ( -2.456 0.000 2.146) 3.261 3.266 ( -0.030 0.000 -1.722) 1.723 3.363 ( -4.889 0.000 -4.046) 6.346 3.468 ( -6.172 0.000 5.577) 8.319 3.488 ( -1.866 0.000 1.043) 2.137 3.591 ( -4.607 0.000 -1.267) 4.778 3.705 ( -6.570 0.000 -0.238) 6.575 3.784 ( -0.316 0.000 -0.469) 0.565 3.895 ( 0.904 0.000 -0.709) 1.149 3.931 ( -0.897 0.000 1.407) 1.669 3.987 ( 0.173 0.000 5.452) 5.455 4.078 ( 1.111 0.000 -4.336) 4.476 4.107 ( -0.875 0.000 0.725) 1.136 4.153 ( -0.636 0.000 1.828) 1.936 4.287 ( -0.278 0.000 -2.176) 2.193 4.303 ( -4.135 0.000 0.663) 4.188 4.464 ( 2.067 0.000 2.847) 3.518 4.503 ( -0.458 0.000 -7.492) 7.506 4.580 ( -2.483 0.000 -2.676) 3.651 4.710 ( 1.645 0.000 -6.444) 6.651 4.745 ( 0.682 0.000 -3.351) 3.420 4.838 ( 5.520 0.000 3.284) 6.423 5.030 ( -1.667 0.000 -2.278) 2.822 5.073 ( -0.847 0.000 0.627) 1.053 5.217 ( 4.919 0.000 0.701) 4.969 5.314 ( -5.556 0.000 -9.697) 11.176 5.533 ( 3.302 0.000 -0.945) 3.435 5.628 ( 0.553 0.000 2.399) 2.461 5.759 ( 3.088 0.000 0.804) 3.191 5.990 ( 17.512 0.000 -0.251) 17.514 6.205 ( 2.269 0.000 3.285) 3.992 6.590 ( 6.122 0.000 8.870) 10.778 8.454 ( -1.684 0.000 0.231) 1.699 8.742 ( -2.944 0.000 0.563) 2.998 9.117 ( 1.884 0.000 2.307) 2.979 9.132 ( -1.716 0.000 -1.009) 1.991 9.201 ( 2.511 0.000 1.716) 3.041 9.495 ( -0.126 0.000 -0.453) 0.470 9.862 ( 3.655 0.000 0.457) 3.684 10.404 ( -4.814 0.000 0.184) 4.817 10.521 ( -1.709 0.000 -1.742) 2.440 10.593 ( -3.521 0.000 -0.403) 3.544 11.004 ( 9.227 0.000 1.128) 9.296 11.101 ( 2.761 0.000 -1.419) 3.105 11.256 ( 0.004 0.000 -0.902) 0.902 11.404 ( 2.614 0.000 2.082) 3.342 11.583 ( 2.214 0.000 -2.383) 3.253 11.630 ( -2.810 0.000 4.474) 5.283 11.782 ( -1.127 0.000 0.160) 1.139 12.543 ( 10.290 0.000 1.919) 10.467 12.857 ( -9.161 0.000 -7.277) 11.700 13.254 ( -1.566 0.000 1.177) 1.959 21.784 ( 0.068 0.000 -0.083) 0.107 21.804 ( -0.010 0.000 0.009) 0.014 21.880 ( -0.570 0.000 0.185) 0.599 22.358 ( -0.340 0.000 0.287) 0.445 22.456 ( -1.767 0.000 -0.191) 1.777 22.931 ( -1.107 0.000 -0.339) 1.158 23.039 ( -0.068 0.000 -2.848) 2.849 23.208 ( 5.923 0.000 9.485) 11.183 23.224 ( -3.626 0.000 2.626) 4.476 23.443 ( -2.651 0.000 0.521) 2.702 23.599 ( 2.891 0.000 -1.217) 3.137 23.866 ( 9.135 0.000 0.670) 9.160 24.459 ( 0.523 0.000 0.607) 0.802 24.561 ( 2.170 0.000 -0.582) 2.247 24.981 ( -2.568 0.000 1.217) 2.842 25.084 ( -0.054 0.000 -3.182) 3.183 ======================= Grid point 132 (62/90) ======================= q-point: (-0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( -9.352 0.000 14.557) 17.302 1.097 ( -13.396 0.000 10.899) 17.269 1.380 ( -0.623 0.000 -4.436) 4.480 1.406 ( -2.775 0.000 -9.340) 9.744 1.641 ( 2.816 0.000 -2.466) 3.743 1.944 ( -8.795 0.000 9.842) 13.199 2.052 ( -3.835 0.000 20.073) 20.436 2.177 ( -2.668 0.000 1.753) 3.193 2.338 ( 1.900 0.000 0.149) 1.906 2.420 ( 0.603 0.000 0.478) 0.769 2.528 ( -1.861 0.000 1.342) 2.294 2.549 ( 2.127 0.000 1.068) 2.380 2.633 ( -0.887 0.000 3.007) 3.135 2.881 ( 2.381 0.000 -8.242) 8.579 2.935 ( 2.843 0.000 0.788) 2.950 3.106 ( 3.364 0.000 -0.788) 3.455 3.178 ( 0.617 0.000 -2.788) 2.856 3.260 ( 0.769 0.000 -4.017) 4.090 3.341 ( -4.110 0.000 4.624) 6.187 3.369 ( 1.674 0.000 0.633) 1.789 3.441 ( -2.525 0.000 -3.512) 4.325 3.509 ( -3.503 0.000 2.013) 4.040 3.576 ( -6.102 0.000 -4.618) 7.652 3.703 ( -6.517 0.000 -0.087) 6.518 3.865 ( -2.115 0.000 2.644) 3.386 3.934 ( -0.377 0.000 0.601) 0.709 4.031 ( 1.967 0.000 2.541) 3.213 4.080 ( -0.404 0.000 -4.366) 4.385 4.127 ( 1.837 0.000 -0.640) 1.945 4.176 ( 2.117 0.000 3.056) 3.717 4.262 ( 1.155 0.000 1.269) 1.716 4.283 ( 0.099 0.000 -2.429) 2.431 4.385 ( -7.154 0.000 -5.270) 8.886 4.509 ( 1.875 0.000 -0.182) 1.883 4.591 ( 1.434 0.000 -2.709) 3.065 4.737 ( 0.152 0.000 -5.532) 5.534 4.741 ( -0.635 0.000 -2.583) 2.660 4.864 ( -2.226 0.000 0.994) 2.438 5.014 ( 0.216 0.000 -5.213) 5.217 5.077 ( -2.509 0.000 -4.067) 4.778 5.239 ( 2.192 0.000 2.874) 3.614 5.349 ( 5.549 0.000 1.643) 5.788 5.534 ( -2.246 0.000 -4.399) 4.939 5.657 ( 2.332 0.000 4.304) 4.895 5.786 ( 0.327 0.000 -0.088) 0.339 6.119 ( -0.334 0.000 -1.684) 1.717 6.424 ( 13.294 0.000 2.238) 13.481 6.753 ( 11.749 0.000 8.650) 14.589 8.426 ( -1.244 0.000 -0.011) 1.244 8.689 ( -2.350 0.000 0.759) 2.470 9.068 ( -3.876 0.000 -2.039) 4.380 9.155 ( 1.353 0.000 1.520) 2.035 9.248 ( 1.843 0.000 3.473) 3.931 9.496 ( 0.423 0.000 -1.991) 2.035 9.945 ( 4.477 0.000 -0.277) 4.486 10.306 ( -4.638 0.000 0.772) 4.701 10.472 ( -3.322 0.000 -0.415) 3.348 10.585 ( 2.408 0.000 -0.114) 2.411 11.097 ( -1.058 0.000 -0.211) 1.079 11.189 ( 6.449 0.000 -0.396) 6.461 11.321 ( 7.406 0.000 -0.182) 7.408 11.448 ( 1.872 0.000 2.060) 2.784 11.575 ( -2.491 0.000 5.932) 6.434 11.638 ( 3.385 0.000 -3.744) 5.048 11.761 ( -1.202 0.000 -0.628) 1.357 12.625 ( -14.323 0.000 -5.755) 15.436 12.770 ( 13.432 0.000 2.072) 13.591 13.198 ( -4.987 0.000 0.603) 5.023 21.786 ( 0.065 0.000 -0.085) 0.107 21.804 ( -0.030 0.000 -0.000) 0.030 21.870 ( -0.496 0.000 0.125) 0.511 22.353 ( -0.172 0.000 0.899) 0.915 22.420 ( -1.799 0.000 -0.602) 1.897 22.914 ( -0.624 0.000 -0.184) 0.651 23.026 ( -0.812 0.000 -2.295) 2.435 23.161 ( -2.711 0.000 0.671) 2.793 23.314 ( 4.111 0.000 2.495) 4.809 23.404 ( -1.471 0.000 1.062) 1.814 23.636 ( 0.284 0.000 -3.769) 3.780 24.119 ( 17.691 0.000 7.537) 19.229 24.469 ( 0.405 0.000 0.287) 0.497 24.598 ( 1.588 0.000 -0.312) 1.618 24.827 ( -11.978 0.000 -0.738) 12.001 25.164 ( 6.501 0.000 0.428) 6.515 ======================= Grid point 133 (63/90) ======================= q-point: ( 0.00 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( -8.249 8.467 13.933) 18.272 1.139 ( 3.590 10.462 6.699) 12.931 1.364 ( 1.612 8.518 5.270) 10.145 1.642 ( -1.270 17.758 -12.501) 21.754 1.805 ( 0.647 3.867 9.455) 10.236 1.917 ( -1.161 2.401 -2.747) 3.829 2.070 ( 2.978 6.493 16.201) 17.706 2.222 ( 2.458 9.108 -0.171) 9.436 2.332 ( -1.509 4.053 3.808) 5.762 2.448 ( 2.047 0.663 1.505) 2.626 2.533 ( -0.332 -1.990 0.721) 2.142 2.640 ( 1.712 5.529 -1.950) 6.107 2.683 ( 0.017 2.135 -1.730) 2.748 2.797 ( -3.025 -2.675 -6.858) 7.958 3.059 ( 0.588 2.519 -0.690) 2.677 3.089 ( 0.812 -1.549 1.560) 2.344 3.186 ( -0.115 -4.084 0.127) 4.088 3.233 ( 0.359 -1.655 -0.439) 1.749 3.289 ( -2.247 -0.649 -1.105) 2.587 3.345 ( 1.585 -0.477 -3.145) 3.554 3.486 ( -1.395 3.298 -1.180) 3.770 3.536 ( -1.492 5.813 0.125) 6.003 3.607 ( 3.828 7.404 -1.158) 8.416 3.686 ( -1.345 0.889 2.324) 2.828 3.782 ( -0.397 -1.707 -2.674) 3.197 3.850 ( 0.765 -6.506 1.826) 6.800 3.971 ( -0.804 -1.792 -0.625) 2.061 4.060 ( -1.544 -0.829 -5.656) 5.922 4.139 ( 0.182 2.608 -0.209) 2.622 4.250 ( -0.270 3.816 2.210) 4.418 4.315 ( 0.106 0.993 1.548) 1.842 4.352 ( 1.379 1.974 1.892) 3.062 4.396 ( 2.144 2.552 -3.922) 5.147 4.464 ( -1.858 -3.151 2.189) 4.263 4.609 ( -1.016 -1.879 -1.739) 2.754 4.652 ( -1.511 1.006 -1.335) 2.253 4.746 ( 0.323 -0.236 1.656) 1.704 4.798 ( -1.060 -1.055 -1.255) 1.953 4.930 ( -1.989 0.518 -2.647) 3.352 5.127 ( -0.642 5.914 -3.165) 6.738 5.342 ( 1.639 0.640 0.266) 1.779 5.451 ( 0.745 4.215 1.898) 4.682 5.504 ( -0.769 0.760 -2.414) 2.645 5.710 ( 1.597 0.109 1.198) 2.000 5.857 ( 1.509 4.538 4.582) 6.623 6.093 ( -2.290 -3.217 -2.532) 4.690 6.398 ( -2.425 -6.614 8.528) 11.061 6.751 ( 3.509 -15.774 -6.835) 17.546 8.450 ( -0.101 3.063 -0.281) 3.077 8.715 ( 0.098 2.717 -0.212) 2.727 8.947 ( -1.212 -5.247 0.341) 5.396 9.132 ( -0.928 -2.574 -0.303) 2.753 9.310 ( 1.107 2.616 2.261) 3.630 9.509 ( -0.214 0.128 -1.939) 1.955 9.962 ( 0.110 -0.337 -0.144) 0.383 10.267 ( 0.905 -1.006 -0.174) 1.365 10.515 ( -0.213 5.518 -1.490) 5.719 10.659 ( 0.874 2.788 -0.461) 2.958 10.902 ( -0.761 -8.262 -0.055) 8.297 11.343 ( -0.591 2.292 0.483) 2.416 11.428 ( 1.623 -0.565 0.859) 1.921 11.524 ( 2.189 1.954 1.051) 3.117 11.621 ( -3.099 6.452 1.859) 7.396 11.693 ( 1.080 2.032 -2.758) 3.591 11.804 ( 1.650 5.211 -1.462) 5.658 12.420 ( -3.283 0.608 0.419) 3.366 12.821 ( 2.099 -13.800 3.843) 14.478 13.043 ( -0.760 -3.529 -0.646) 3.667 21.811 ( 0.053 1.956 -0.084) 1.959 21.859 ( -0.192 -0.243 0.365) 0.478 22.034 ( 0.307 17.355 -1.962) 17.468 22.371 ( 0.874 1.426 1.673) 2.366 22.409 ( -0.951 1.642 -1.479) 2.406 22.897 ( -0.325 -0.752 0.445) 0.933 23.013 ( -1.659 0.832 0.415) 1.902 23.105 ( 1.379 -3.251 -1.356) 3.783 23.352 ( 0.275 -0.288 -0.167) 0.432 23.395 ( 0.647 -0.186 -0.085) 0.678 23.620 ( -3.011 1.872 0.193) 3.550 24.395 ( 4.154 -6.094 0.425) 7.388 24.450 ( -2.298 1.321 0.085) 2.652 24.587 ( 0.019 -2.015 0.114) 2.018 24.661 ( 1.534 2.793 -1.162) 3.392 25.186 ( 0.061 -4.973 0.999) 5.073 ======================= Grid point 134 (64/90) ======================= q-point: ( 0.14 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( 5.982 4.875 15.322) 17.156 1.270 ( 7.938 19.335 10.975) 23.607 1.441 ( 6.271 2.349 0.659) 6.729 1.647 ( 2.122 16.138 -9.308) 18.750 1.782 ( -2.676 8.868 -0.222) 9.266 1.954 ( 3.910 0.136 3.389) 5.176 2.155 ( 4.645 2.869 7.831) 9.546 2.274 ( 0.782 7.328 5.251) 9.049 2.339 ( 4.837 7.763 2.031) 9.369 2.494 ( 1.602 0.029 0.990) 1.883 2.547 ( 0.632 -0.049 0.974) 1.162 2.638 ( -2.403 1.081 -9.531) 9.889 2.691 ( 1.706 2.948 -0.292) 3.418 2.761 ( 0.667 -1.147 -4.355) 4.553 3.023 ( -2.236 2.015 1.728) 3.471 3.100 ( -3.180 -0.926 -0.191) 3.318 3.161 ( -0.068 -0.836 1.698) 1.894 3.257 ( 2.288 3.200 -5.316) 6.613 3.328 ( 4.870 -2.504 1.396) 5.652 3.379 ( -0.199 2.077 1.849) 2.788 3.438 ( 1.856 3.031 -0.838) 3.651 3.565 ( 3.568 0.745 -1.099) 3.807 3.612 ( -1.413 4.203 -1.776) 4.776 3.720 ( 2.315 0.092 1.777) 2.920 3.804 ( 2.462 -3.487 0.401) 4.288 3.875 ( 1.268 -5.294 -1.011) 5.536 3.965 ( 0.087 0.019 1.725) 1.728 4.034 ( -0.539 -2.768 -3.643) 4.607 4.150 ( 0.040 3.818 -1.453) 4.085 4.208 ( -3.614 3.984 2.081) 5.768 4.274 ( -2.593 0.253 -0.605) 2.675 4.349 ( -1.013 -0.018 0.049) 1.015 4.447 ( 3.631 0.035 -2.131) 4.210 4.466 ( 0.715 0.900 4.979) 5.110 4.601 ( 0.611 1.847 -1.393) 2.392 4.622 ( -1.878 1.210 0.747) 2.355 4.761 ( 0.241 -0.079 -0.716) 0.760 4.801 ( 0.510 -1.457 3.604) 3.920 4.923 ( 1.879 1.338 -2.027) 3.071 5.102 ( -1.708 5.815 -1.226) 6.184 5.331 ( -2.751 -0.426 -2.768) 3.925 5.431 ( -2.163 3.674 2.520) 4.953 5.476 ( -2.379 1.471 -2.494) 3.748 5.721 ( -0.550 -0.417 -1.818) 1.945 5.879 ( 0.414 6.530 2.258) 6.922 6.029 ( -5.077 -7.738 1.938) 9.456 6.336 ( -3.504 -0.435 5.642) 6.656 6.705 ( -7.087 -16.361 -6.174) 18.869 8.471 ( 2.043 3.591 -0.024) 4.132 8.727 ( 1.161 1.842 -0.199) 2.186 8.953 ( 1.369 -4.356 3.427) 5.709 9.129 ( 0.750 -2.605 0.165) 2.716 9.311 ( -0.998 2.097 -0.157) 2.328 9.505 ( -0.401 0.928 -0.548) 1.150 9.945 ( -2.143 0.430 -0.567) 2.258 10.287 ( 1.873 -3.093 -1.387) 3.873 10.541 ( 1.860 4.118 -1.275) 4.695 10.651 ( -0.687 3.465 -1.596) 3.876 10.918 ( 2.026 -7.996 0.943) 8.303 11.219 ( -10.234 0.745 0.185) 10.263 11.440 ( -1.677 3.026 -1.362) 3.718 11.485 ( -4.664 2.126 -1.722) 5.408 11.575 ( -1.743 2.381 2.973) 4.189 11.703 ( -0.059 1.958 -0.801) 2.116 11.845 ( 3.450 8.209 -2.523) 9.255 12.452 ( 1.809 -0.285 7.853) 8.064 12.769 ( -2.153 -9.728 -3.940) 10.714 13.107 ( 4.442 -7.172 0.757) 8.470 21.812 ( 0.073 2.078 -0.182) 2.088 21.858 ( 0.068 -0.208 0.649) 0.685 22.026 ( -0.957 16.889 -1.977) 17.031 22.391 ( -0.016 2.059 -1.010) 2.293 22.403 ( 1.368 0.679 1.221) 1.955 22.888 ( -0.748 -0.983 1.883) 2.252 22.990 ( -0.285 1.656 1.347) 2.154 23.163 ( 4.152 -2.423 -1.487) 5.032 23.344 ( -0.472 -0.214 -1.138) 1.250 23.421 ( 1.571 -0.151 -0.518) 1.661 23.552 ( -3.593 2.452 5.600) 7.091 24.221 ( -12.343 -1.856 -2.476) 12.725 24.477 ( 0.182 0.577 0.531) 0.805 24.586 ( -0.563 -0.971 -0.104) 1.127 24.828 ( 10.953 -1.266 -3.220) 11.486 25.103 ( -7.785 -5.738 0.545) 9.687 ======================= Grid point 135 (65/90) ======================= q-point: ( 0.29 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( 15.529 2.143 9.766) 18.469 1.398 ( 5.048 18.330 12.036) 22.502 1.569 ( 5.325 5.728 0.736) 7.856 1.663 ( 1.049 12.540 -4.429) 13.341 1.802 ( 5.239 13.109 -6.451) 15.521 1.990 ( -0.906 -2.096 3.682) 4.332 2.216 ( 1.619 1.252 2.578) 3.291 2.292 ( -0.040 4.940 4.329) 6.568 2.423 ( -4.177 6.368 -1.057) 7.689 2.457 ( 0.924 5.189 -2.697) 5.921 2.566 ( 2.600 0.667 1.878) 3.276 2.619 ( 0.664 -2.645 -8.812) 9.224 2.713 ( 1.721 4.725 0.948) 5.117 2.823 ( 4.534 -0.272 -3.959) 6.025 2.969 ( -3.632 1.949 2.497) 4.819 3.034 ( -2.534 4.451 -1.063) 5.231 3.175 ( 0.581 1.944 2.456) 3.185 3.297 ( 0.319 4.176 1.399) 4.416 3.341 ( 2.746 1.497 -1.887) 3.652 3.479 ( 6.273 -1.766 0.354) 6.527 3.520 ( 4.422 -2.467 0.113) 5.065 3.596 ( 1.185 0.218 0.096) 1.209 3.674 ( 6.860 -0.233 2.159) 7.196 3.746 ( 0.684 -0.678 -1.339) 1.649 3.823 ( -0.401 -5.561 -0.085) 5.576 3.901 ( 1.290 -2.218 2.276) 3.429 3.960 ( -0.231 -0.182 2.448) 2.465 4.031 ( -0.133 -1.943 -4.022) 4.468 4.123 ( -1.622 -0.787 -1.736) 2.503 4.161 ( -0.920 5.580 1.952) 5.983 4.268 ( 0.290 0.109 0.894) 0.946 4.358 ( 3.002 -0.436 0.396) 3.059 4.433 ( -2.464 -0.080 2.331) 3.392 4.541 ( 1.357 3.322 0.497) 3.623 4.575 ( 0.860 0.029 -0.974) 1.300 4.638 ( 1.832 3.942 1.924) 4.754 4.752 ( -0.744 3.883 -0.506) 3.986 4.804 ( -0.146 -4.025 3.924) 5.624 4.977 ( 2.958 0.483 -2.838) 4.128 5.073 ( -0.623 4.357 0.219) 4.407 5.268 ( -3.437 -0.458 -3.847) 5.178 5.361 ( -4.241 4.898 -3.411) 7.322 5.446 ( -0.609 -0.858 3.933) 4.071 5.684 ( -3.459 -1.392 -4.248) 5.652 5.836 ( -7.038 -2.472 1.977) 7.717 5.923 ( -4.145 1.762 0.399) 4.522 6.297 ( -0.969 4.372 1.520) 4.728 6.544 ( -8.368 -12.726 -1.999) 15.361 8.515 ( 2.431 4.815 0.168) 5.396 8.754 ( 1.528 0.106 0.119) 1.536 8.993 ( 2.655 -1.214 5.809) 6.502 9.145 ( 0.483 -0.193 -0.332) 0.617 9.283 ( -1.748 0.303 -2.504) 3.069 9.488 ( -1.309 1.073 1.295) 2.132 9.888 ( -3.335 1.163 -0.688) 3.598 10.343 ( 3.767 -5.717 -1.283) 6.965 10.552 ( -0.115 1.523 -2.004) 2.519 10.663 ( 1.757 3.908 -1.077) 4.418 10.949 ( -0.328 -6.211 0.824) 6.274 11.040 ( -6.741 0.154 -1.150) 6.841 11.361 ( -4.387 5.825 -2.644) 7.757 11.423 ( -3.105 -1.475 -0.520) 3.476 11.543 ( -1.642 0.704 1.872) 2.588 11.698 ( -0.330 1.437 0.407) 1.529 11.916 ( 3.513 9.670 -1.831) 10.450 12.403 ( -5.214 -1.919 8.591) 10.231 12.821 ( 5.691 -5.713 -5.394) 9.701 13.162 ( 1.460 -8.891 0.392) 9.019 21.814 ( 0.057 2.249 -0.243) 2.263 21.861 ( 0.223 0.011 0.766) 0.798 22.005 ( -1.005 15.318 -1.395) 15.415 22.385 ( -0.327 1.512 -0.981) 1.832 22.437 ( 1.800 0.270 1.264) 2.216 22.878 ( -0.259 -0.863 4.648) 4.734 23.001 ( 1.024 2.820 1.405) 3.313 23.223 ( 1.308 -1.154 -0.335) 1.776 23.351 ( 1.437 0.076 -2.548) 2.926 23.435 ( -0.164 1.801 3.292) 3.757 23.525 ( 1.171 -0.490 2.598) 2.892 23.989 ( -12.053 1.332 -4.740) 13.020 24.471 ( -0.561 1.114 0.924) 1.552 24.565 ( -1.551 1.058 -0.089) 1.879 24.954 ( -4.816 -8.146 -2.469) 9.780 25.000 ( 5.366 -2.128 -0.157) 5.774 ======================= Grid point 136 (66/90) ======================= q-point: ( 0.43 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( 2.923 11.476 2.757) 12.159 1.517 ( 7.164 6.358 5.893) 11.246 1.618 ( 4.116 11.755 6.897) 14.237 1.752 ( 5.066 6.946 -5.056) 9.974 1.879 ( 1.028 9.803 -0.679) 9.880 1.946 ( -1.972 3.732 5.985) 7.324 2.167 ( -8.016 6.074 2.845) 10.452 2.273 ( 0.642 2.224 1.051) 2.542 2.338 ( -1.829 -0.681 -10.356) 10.539 2.478 ( -0.466 0.102 -4.516) 4.541 2.595 ( 1.282 9.258 0.300) 9.351 2.646 ( 0.590 -0.690 -2.626) 2.778 2.733 ( -0.221 4.629 2.474) 5.253 2.871 ( 0.575 3.967 -4.328) 5.899 2.947 ( 0.301 3.299 3.387) 4.738 3.012 ( 0.106 5.389 -2.979) 6.158 3.186 ( 1.877 -1.660 4.223) 4.911 3.294 ( -0.576 2.950 0.333) 3.024 3.394 ( 1.061 -2.557 -0.335) 2.789 3.549 ( -0.195 -4.153 1.996) 4.612 3.576 ( 2.077 -1.220 0.166) 2.415 3.634 ( 2.805 -1.949 1.627) 3.783 3.707 ( -2.120 2.197 -1.400) 3.359 3.797 ( 1.851 -4.290 -0.584) 4.709 3.843 ( 2.313 1.292 0.320) 2.668 3.913 ( 0.565 -1.981 5.135) 5.533 3.976 ( 1.701 -1.965 1.805) 3.165 4.038 ( 1.413 -1.245 -2.673) 3.270 4.090 ( -1.803 0.350 -0.575) 1.925 4.182 ( 2.703 2.781 4.758) 6.138 4.265 ( -0.039 -2.072 0.050) 2.073 4.357 ( -3.527 1.594 -0.464) 3.898 4.465 ( 3.742 0.343 1.037) 3.898 4.519 ( 0.047 2.434 1.240) 2.732 4.608 ( 0.945 0.383 -0.356) 1.080 4.677 ( 1.903 2.874 -0.367) 3.467 4.745 ( -0.527 0.637 2.623) 2.750 4.809 ( 0.651 3.449 -2.118) 4.100 4.983 ( -1.677 -2.329 0.561) 2.924 5.114 ( 1.888 1.924 -4.422) 5.179 5.184 ( -1.208 0.663 -2.857) 3.172 5.364 ( 3.127 0.285 -0.565) 3.190 5.445 ( 0.889 -0.187 3.473) 3.590 5.570 ( -7.821 -2.449 -1.063) 8.264 5.691 ( -6.016 -2.685 -3.721) 7.566 5.870 ( -1.733 6.882 -1.990) 7.371 6.288 ( -0.283 5.911 0.816) 5.974 6.431 ( -3.439 -9.387 1.188) 10.068 8.551 ( 1.150 5.890 0.226) 6.006 8.777 ( 0.766 -0.910 0.428) 1.264 9.048 ( 2.573 0.399 5.965) 6.508 9.146 ( -0.074 2.456 0.261) 2.471 9.245 ( -2.105 0.677 -4.145) 4.698 9.469 ( -0.445 -0.666 1.416) 1.627 9.840 ( -1.415 1.580 -0.288) 2.140 10.399 ( 1.609 -6.734 -0.742) 6.963 10.551 ( 0.194 0.699 -1.075) 1.297 10.703 ( 2.366 1.041 -1.437) 2.957 10.868 ( -5.158 -1.553 -1.281) 5.537 11.007 ( 0.284 -0.891 -0.417) 1.023 11.319 ( 0.132 2.823 -1.346) 3.130 11.355 ( -3.843 -0.760 0.418) 3.940 11.525 ( -0.184 -0.533 0.522) 0.769 11.694 ( -0.025 1.200 0.552) 1.321 11.953 ( 0.173 9.853 0.728) 9.882 12.340 ( -0.967 -1.353 3.954) 4.290 12.906 ( 2.835 -4.866 -3.612) 6.690 13.172 ( -0.039 -9.297 0.150) 9.298 21.814 ( -0.008 2.347 -0.218) 2.357 21.866 ( 0.239 0.398 0.576) 0.740 21.991 ( -0.475 13.724 -0.753) 13.753 22.379 ( -0.276 1.177 -0.493) 1.305 22.465 ( 0.974 -0.209 0.715) 1.226 22.888 ( 1.107 -1.026 6.135) 6.318 23.022 ( 1.150 3.894 2.120) 4.580 23.212 ( -1.699 -0.226 -1.168) 2.075 23.351 ( -1.944 1.704 3.841) 4.630 23.458 ( 2.497 0.658 -1.002) 2.770 23.574 ( 2.451 -1.671 -0.135) 2.970 23.795 ( -6.989 4.100 -5.049) 9.547 24.463 ( -0.198 1.243 1.401) 1.883 24.539 ( -0.864 1.534 -0.628) 1.869 24.883 ( -1.957 -9.019 -1.653) 9.376 25.081 ( 2.488 -2.700 -0.760) 3.749 ======================= Grid point 137 (67/90) ======================= q-point: (-0.43 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( -1.308 8.656 1.656) 8.910 1.525 ( -4.837 13.739 7.011) 16.165 1.656 ( -5.473 6.647 2.208) 8.889 1.750 ( -4.734 8.003 -2.488) 9.625 1.873 ( -0.094 9.443 -0.885) 9.485 1.987 ( 4.687 3.510 4.078) 7.136 2.059 ( -1.229 5.317 6.496) 8.484 2.273 ( -0.658 -0.378 -0.332) 0.828 2.352 ( 2.492 1.968 -7.799) 8.421 2.454 ( -1.097 1.636 -0.417) 2.014 2.566 ( -3.143 3.568 -1.569) 5.007 2.676 ( 1.100 2.482 -2.667) 3.806 2.728 ( 0.366 6.157 2.972) 6.847 2.847 ( -3.676 6.335 -1.939) 7.577 2.951 ( 0.843 6.775 2.062) 7.131 3.014 ( 0.924 3.510 -3.451) 5.008 3.229 ( 0.002 -0.911 3.956) 4.060 3.273 ( -1.328 0.074 0.861) 1.584 3.377 ( -1.690 -6.385 -1.226) 6.717 3.515 ( -1.982 -0.266 5.303) 5.667 3.578 ( -1.690 -2.273 -0.965) 2.992 3.639 ( -4.089 1.402 0.857) 4.407 3.706 ( 3.090 -1.662 0.263) 3.518 3.805 ( -2.429 -2.673 -1.085) 3.771 3.842 ( 0.502 2.553 0.530) 2.655 3.928 ( -0.207 -2.394 5.475) 5.979 4.017 ( 0.545 -3.084 -1.380) 3.422 4.029 ( -2.359 -2.259 -2.904) 4.370 4.071 ( 0.639 0.586 0.869) 1.228 4.221 ( -2.685 0.396 1.833) 3.275 4.244 ( 0.618 -1.128 1.225) 1.776 4.363 ( 4.317 1.950 -1.136) 4.871 4.473 ( -1.393 2.140 1.801) 3.125 4.531 ( -0.292 -0.077 -1.270) 1.305 4.644 ( 1.801 1.437 2.114) 3.127 4.667 ( -3.456 1.471 -3.098) 4.869 4.739 ( 1.270 2.171 -1.081) 2.738 4.828 ( 2.061 4.321 -2.614) 5.455 4.976 ( 1.106 -5.237 3.025) 6.149 5.101 ( 0.611 5.994 -6.278) 8.701 5.209 ( -2.869 -3.331 -1.630) 4.688 5.377 ( 1.558 -3.158 -3.697) 5.106 5.452 ( -1.096 -1.360 2.781) 3.284 5.587 ( 7.233 0.454 2.108) 7.548 5.620 ( 0.489 -0.803 -1.730) 1.969 5.887 ( 4.531 7.529 -2.733) 9.202 6.285 ( -0.022 6.423 0.955) 6.493 6.408 ( 0.619 -8.589 3.226) 9.195 8.552 ( -1.057 6.116 0.128) 6.208 8.779 ( -0.611 -0.670 0.198) 0.928 9.083 ( 0.692 -1.433 4.888) 5.141 9.146 ( -0.165 2.446 0.075) 2.452 9.213 ( -0.468 2.462 -3.077) 3.968 9.480 ( 1.384 -0.595 0.505) 1.589 9.837 ( 1.009 1.754 -0.010) 2.024 10.391 ( -2.356 -6.753 -0.024) 7.152 10.559 ( 0.339 0.438 -1.938) 2.016 10.696 ( -3.024 1.699 -1.100) 3.639 10.855 ( 4.221 -1.181 0.271) 4.392 11.015 ( 0.527 -1.292 -1.161) 1.815 11.291 ( -2.121 0.030 1.662) 2.695 11.353 ( 2.713 1.094 0.194) 2.932 11.539 ( 1.659 -0.582 -0.716) 1.899 11.697 ( 0.261 1.682 0.178) 1.711 11.924 ( -3.004 9.124 3.214) 10.129 12.378 ( 4.615 -1.514 1.023) 4.963 12.907 ( -2.817 -5.093 -4.117) 7.129 13.171 ( -0.028 -8.760 0.400) 8.769 21.813 ( -0.075 2.276 -0.130) 2.281 21.870 ( 0.124 0.445 0.232) 0.517 21.987 ( 0.113 13.485 -0.380) 13.491 22.374 ( -0.272 1.021 0.019) 1.057 22.472 ( -0.219 -0.110 -0.002) 0.245 22.914 ( 0.933 -1.522 3.514) 3.941 23.044 ( 0.834 3.207 1.965) 3.853 23.187 ( 0.074 0.831 0.378) 0.916 23.299 ( -3.645 1.859 5.562) 6.905 23.494 ( 0.181 0.482 -2.022) 2.086 23.559 ( -1.732 -1.082 0.997) 2.272 23.786 ( 4.911 4.172 -4.198) 7.691 24.465 ( 0.291 1.264 1.207) 1.771 24.541 ( 1.122 1.409 -0.814) 1.976 24.875 ( 1.072 -8.606 -0.935) 8.723 25.090 ( -1.457 -2.887 -1.522) 3.574 ======================= Grid point 138 (68/90) ======================= q-point: (-0.29 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.296 ( -9.638 -1.369 0.740) 9.763 1.408 ( -7.674 19.406 10.507) 23.364 1.484 ( -9.781 6.260 8.685) 14.502 1.698 ( 0.456 16.042 -7.012) 17.514 1.829 ( -3.427 13.292 -9.768) 16.848 2.016 ( -1.869 -1.546 0.695) 2.523 2.098 ( 0.591 -0.391 16.669) 16.684 2.258 ( -1.122 1.731 1.808) 2.743 2.355 ( -1.663 4.955 -0.478) 5.248 2.467 ( 2.048 5.105 1.998) 5.852 2.538 ( -0.342 2.237 -2.222) 3.172 2.627 ( -3.817 1.191 0.055) 3.999 2.726 ( -3.022 5.713 -2.307) 6.863 2.796 ( 1.044 2.303 -0.753) 2.638 2.980 ( 1.835 5.601 2.122) 6.265 3.053 ( 2.736 1.197 -2.490) 3.889 3.185 ( -1.453 0.761 1.345) 2.121 3.275 ( -1.026 1.002 -0.253) 1.457 3.345 ( -0.363 -0.981 -0.104) 1.051 3.472 ( -4.593 -1.145 1.239) 4.893 3.513 ( -4.646 1.412 1.091) 4.977 3.567 ( -2.848 -0.048 1.685) 3.310 3.705 ( -3.779 -0.766 -0.311) 3.868 3.782 ( -0.030 -2.564 -3.030) 3.969 3.840 ( -0.246 -1.526 -0.581) 1.651 3.890 ( -3.116 -3.658 2.186) 5.279 3.983 ( -1.232 -1.416 -1.558) 2.440 4.045 ( 0.903 -2.068 0.530) 2.318 4.074 ( 0.739 0.321 -0.166) 0.823 4.161 ( -1.113 0.977 1.544) 2.139 4.279 ( 1.454 0.251 1.347) 1.998 4.373 ( -3.289 2.166 -1.889) 4.367 4.460 ( 1.919 0.175 -0.783) 2.080 4.553 ( 0.468 0.644 -0.621) 1.010 4.586 ( -3.118 3.613 -2.462) 5.370 4.688 ( 1.068 -1.032 -1.733) 2.282 4.749 ( 0.491 1.576 -2.313) 2.842 4.875 ( 0.989 1.586 1.004) 2.121 4.980 ( -0.191 -4.441 -3.076) 5.406 5.087 ( -0.855 3.926 -1.816) 4.409 5.233 ( 5.841 1.411 -1.146) 6.117 5.351 ( -1.952 2.548 -4.505) 5.532 5.499 ( 2.909 -3.151 -0.458) 4.313 5.611 ( 1.652 -0.726 2.898) 3.413 5.751 ( 5.618 -1.931 6.054) 8.482 6.037 ( 9.360 3.965 -5.956) 11.781 6.302 ( 2.856 5.904 0.780) 6.605 6.455 ( 4.428 -9.993 6.184) 12.558 8.518 ( -2.306 5.243 -0.196) 5.731 8.754 ( -1.811 0.679 0.079) 1.935 9.069 ( -2.623 -5.202 0.599) 5.857 9.139 ( 0.101 1.932 -0.263) 1.953 9.234 ( 2.148 2.531 0.742) 3.402 9.507 ( 1.135 1.098 -0.215) 1.594 9.876 ( 3.107 1.469 0.345) 3.454 10.325 ( -4.180 -5.818 0.296) 7.170 10.552 ( -0.320 1.321 -2.433) 2.786 10.651 ( -2.035 5.109 -0.030) 5.500 10.968 ( 4.409 -4.374 -0.176) 6.214 11.023 ( 3.356 -2.453 0.200) 4.162 11.303 ( 3.529 2.278 3.045) 5.188 11.407 ( 2.761 0.695 0.543) 2.899 11.580 ( 2.527 0.148 -1.281) 2.837 11.701 ( 0.070 3.550 -0.224) 3.557 11.859 ( -3.849 7.591 3.451) 9.184 12.501 ( 8.294 -3.677 1.671) 9.225 12.797 ( -8.679 -4.980 -5.443) 11.391 13.163 ( -1.194 -7.844 0.520) 7.951 21.812 ( -0.072 2.092 -0.049) 2.094 21.869 ( -0.181 0.040 0.034) 0.188 21.996 ( 0.918 14.833 -0.510) 14.870 22.368 ( -0.300 1.047 0.633) 1.259 22.458 ( -1.185 0.594 -0.704) 1.501 22.917 ( -0.520 -0.973 0.450) 1.191 23.043 ( -0.750 0.338 -1.973) 2.138 23.210 ( -2.987 -0.413 1.222) 3.254 23.247 ( 2.440 2.041 6.949) 7.642 23.450 ( -2.887 0.390 0.591) 2.973 23.591 ( 3.389 -0.588 -1.187) 3.638 23.915 ( 9.091 3.922 0.829) 9.936 24.473 ( 0.467 1.251 0.712) 1.514 24.569 ( 1.453 0.721 -0.427) 1.678 24.907 ( 0.299 -6.299 1.058) 6.395 25.043 ( -1.506 -3.292 -3.224) 4.848 ======================= Grid point 139 (69/90) ======================= q-point: (-0.14 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( -7.348 1.765 3.605) 8.373 1.219 ( -11.124 13.370 10.324) 20.226 1.377 ( -3.141 10.104 8.026) 13.280 1.692 ( -2.462 18.443 -11.993) 22.137 1.797 ( 0.610 10.388 -2.219) 10.640 1.945 ( -3.356 -2.012 5.388) 6.659 2.072 ( -2.974 3.380 18.677) 19.212 2.221 ( -2.069 4.338 0.023) 4.806 2.340 ( -0.077 4.710 0.309) 4.721 2.457 ( -2.324 3.615 2.627) 5.037 2.539 ( 0.065 -0.547 1.721) 1.807 2.608 ( 1.435 3.846 -1.070) 4.242 2.684 ( -0.766 5.359 0.342) 5.425 2.830 ( 0.894 -3.628 -8.064) 8.888 3.011 ( 1.835 4.739 2.019) 5.468 3.089 ( 1.095 -2.435 1.389) 3.010 3.182 ( -0.066 1.373 -3.712) 3.959 3.246 ( -0.864 -1.079 -0.648) 1.527 3.333 ( -3.473 -2.232 1.499) 4.392 3.383 ( -2.900 0.533 -0.206) 2.956 3.459 ( 1.069 2.137 -0.725) 2.497 3.539 ( -0.470 5.182 0.569) 5.234 3.624 ( -4.054 3.921 -3.844) 6.826 3.734 ( -3.538 -1.523 1.813) 4.257 3.813 ( -2.159 -2.117 -1.339) 3.307 3.858 ( -1.353 -4.794 -1.151) 5.113 3.978 ( 0.250 -3.079 0.127) 3.091 4.065 ( 1.080 -0.278 -1.144) 1.598 4.117 ( 3.302 -0.383 -0.297) 3.337 4.192 ( 3.783 1.844 2.216) 4.756 4.299 ( 0.832 1.005 4.394) 4.583 4.339 ( -0.250 4.144 -3.728) 5.580 4.437 ( -6.410 2.668 -2.669) 7.439 4.489 ( -0.332 0.143 -0.211) 0.419 4.606 ( 1.318 -0.015 -1.157) 1.754 4.681 ( -1.301 -1.845 -2.846) 3.633 4.757 ( -0.120 0.817 -2.993) 3.105 4.839 ( -3.068 -1.384 0.714) 3.441 4.972 ( -1.664 -3.290 -3.187) 4.873 5.115 ( 2.382 5.202 -2.605) 6.287 5.297 ( 2.053 3.510 -1.998) 4.531 5.393 ( 4.847 3.130 1.738) 6.026 5.515 ( -0.280 -0.939 -2.076) 2.295 5.665 ( 3.046 0.144 3.708) 4.801 5.821 ( 2.263 0.703 5.789) 6.255 6.120 ( 0.237 -0.357 -4.736) 4.755 6.389 ( 3.554 -3.612 3.254) 6.022 6.599 ( 10.510 -10.476 1.563) 14.922 8.474 ( -2.151 3.842 -0.408) 4.422 8.724 ( -1.142 2.120 0.045) 2.408 9.000 ( -3.995 -5.514 -0.836) 6.861 9.145 ( -0.024 -0.537 -1.348) 1.451 9.276 ( 2.116 1.974 2.755) 3.995 9.515 ( -0.136 1.139 -1.169) 1.638 9.938 ( 2.700 0.117 0.185) 2.709 10.265 ( -1.552 -2.673 0.570) 3.143 10.545 ( -1.505 4.232 -1.900) 4.877 10.628 ( 0.877 4.205 0.405) 4.314 10.941 ( -2.888 -7.890 -1.071) 8.470 11.211 ( 11.626 -0.113 1.367) 11.707 11.393 ( 4.180 2.746 3.337) 6.013 11.456 ( 2.986 0.970 0.486) 3.177 11.626 ( 2.220 1.223 -0.839) 2.670 11.695 ( -0.872 6.725 -0.581) 6.806 11.800 ( -1.961 4.627 1.712) 5.309 12.590 ( -11.868 -2.978 -3.172) 12.641 12.679 ( 9.702 -7.628 2.170) 12.531 13.115 ( -4.105 -6.674 0.138) 7.837 21.811 ( -0.006 1.955 -0.027) 1.955 21.864 ( -0.347 -0.205 0.110) 0.418 22.018 ( 1.296 16.495 -1.186) 16.588 22.365 ( -0.085 1.206 1.332) 1.799 22.432 ( -1.406 1.363 -1.296) 2.348 22.905 ( -0.604 -0.667 0.060) 0.902 23.030 ( -0.408 0.016 -2.244) 2.281 23.132 ( -3.743 -2.121 1.376) 4.516 23.317 ( 3.152 0.099 1.538) 3.508 23.408 ( -1.640 0.155 0.665) 1.777 23.640 ( 1.164 0.379 -2.740) 3.002 24.143 ( 15.015 1.086 4.803) 15.802 24.481 ( 0.115 0.981 0.209) 1.010 24.587 ( 0.459 -1.063 -0.167) 1.170 24.795 ( -10.198 -1.736 -0.175) 10.346 25.111 ( 6.373 -4.344 -0.172) 7.714 ======================= Grid point 140 (70/90) ======================= q-point: ( 0.00 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( -0.476 -1.721 4.099) 4.471 1.190 ( -1.913 6.123 6.209) 8.928 1.670 ( -1.018 8.907 9.915) 13.367 1.780 ( 1.518 -1.155 -1.060) 2.182 1.928 ( -1.104 4.832 -0.813) 5.023 2.022 ( -1.831 13.111 -2.225) 13.424 2.236 ( 0.971 4.470 7.753) 9.001 2.381 ( 7.496 3.479 5.346) 9.842 2.430 ( 0.085 -0.386 -6.059) 6.072 2.558 ( -0.934 7.149 -2.820) 7.741 2.632 ( -0.165 8.539 -0.173) 8.543 2.695 ( -0.130 4.161 -0.382) 4.181 2.731 ( -2.796 1.424 -3.267) 4.530 2.813 ( -0.532 6.216 -2.863) 6.865 3.019 ( 1.041 -3.362 2.211) 4.156 3.072 ( 0.419 -1.912 -2.219) 2.959 3.136 ( -1.394 0.992 2.055) 2.674 3.173 ( -0.816 -4.000 -0.056) 4.083 3.287 ( 2.766 0.422 -5.083) 5.802 3.380 ( -0.558 5.854 -1.997) 6.210 3.542 ( 1.819 1.196 3.589) 4.197 3.596 ( -1.122 -2.771 2.908) 4.171 3.658 ( -1.342 2.263 -2.849) 3.878 3.721 ( -1.865 -2.698 -3.965) 5.146 3.823 ( 2.949 8.118 1.568) 8.778 3.866 ( -0.176 7.460 -1.562) 7.624 3.981 ( -0.479 2.580 1.312) 2.933 4.043 ( -2.321 0.021 0.053) 2.322 4.157 ( 2.834 -0.329 2.241) 3.627 4.268 ( -0.790 -0.937 -2.731) 2.993 4.342 ( 2.108 0.875 2.696) 3.533 4.384 ( -3.954 1.979 2.484) 5.071 4.465 ( -1.234 3.094 -1.232) 3.552 4.490 ( 0.971 3.748 -0.867) 3.968 4.578 ( 2.533 -0.443 1.253) 2.861 4.670 ( -0.783 0.175 -3.180) 3.280 4.762 ( -2.049 0.829 1.693) 2.784 4.834 ( 1.648 2.823 -3.475) 4.770 4.935 ( -0.230 1.806 1.213) 2.188 5.223 ( -1.062 1.460 -0.931) 2.031 5.373 ( -0.172 1.648 -2.950) 3.384 5.502 ( 0.735 -2.233 2.135) 3.176 5.528 ( 1.221 2.937 -1.520) 3.525 5.716 ( 0.930 -1.069 -0.324) 1.453 5.797 ( 0.106 -6.337 8.891) 10.918 6.034 ( -1.907 0.351 -1.250) 2.307 6.316 ( 1.407 -4.374 4.769) 6.622 6.476 ( -1.390 -7.224 -8.010) 10.876 8.519 ( -0.128 2.736 -0.038) 2.739 8.727 ( -0.490 -1.923 0.021) 1.985 8.869 ( 0.079 -1.013 1.059) 1.467 9.077 ( -1.601 -2.428 -2.684) 3.957 9.347 ( 1.196 0.857 1.851) 2.365 9.490 ( -0.649 -1.958 -1.167) 2.370 9.994 ( 0.148 2.968 -0.185) 2.978 10.235 ( 0.372 -1.875 -0.571) 1.995 10.624 ( -0.508 4.783 -1.893) 5.169 10.741 ( 0.885 3.957 1.059) 4.190 10.796 ( -0.724 -1.069 -1.748) 2.173 11.342 ( 0.725 -1.629 1.540) 2.356 11.409 ( -0.394 -1.341 1.158) 1.815 11.492 ( 2.106 -3.683 -1.448) 4.483 11.697 ( -0.507 2.477 -0.950) 2.701 11.838 ( -1.790 7.399 1.196) 7.705 11.947 ( 3.163 7.281 -0.474) 7.953 12.423 ( -0.032 -2.983 0.934) 3.126 12.539 ( -1.528 -8.389 3.536) 9.231 12.937 ( -0.118 -6.225 -0.394) 6.238 21.845 ( 0.063 0.576 0.623) 0.851 21.857 ( -0.191 0.406 -0.234) 0.506 22.362 ( 0.141 9.977 -0.273) 9.982 22.430 ( 0.341 4.574 1.522) 4.833 22.482 ( -0.047 6.212 -2.741) 6.790 22.881 ( -0.285 -1.029 0.485) 1.172 23.018 ( -1.196 -2.068 0.064) 2.390 23.031 ( 1.465 -1.347 -0.971) 2.214 23.345 ( 0.441 -0.322 -0.256) 0.603 23.388 ( 0.248 -0.543 -0.294) 0.665 23.664 ( -1.337 2.171 0.399) 2.580 24.197 ( 0.817 -10.982 0.687) 11.033 24.484 ( -0.929 1.534 0.766) 1.950 24.555 ( 0.058 -1.223 0.258) 1.251 24.759 ( 1.104 5.747 -2.226) 6.262 25.086 ( -0.394 -3.902 0.672) 3.979 ======================= Grid point 141 (71/90) ======================= q-point: ( 0.14 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( 2.697 5.078 7.258) 9.260 1.391 ( 14.401 -0.155 5.006) 15.247 1.686 ( 2.189 10.203 8.467) 13.438 1.821 ( 1.833 -1.089 -1.100) 2.399 1.952 ( 3.741 5.504 0.578) 6.681 2.019 ( 1.682 10.969 -1.118) 11.153 2.268 ( 1.730 4.710 3.231) 5.968 2.383 ( -2.598 -0.445 -4.672) 5.364 2.488 ( 0.435 0.813 -3.056) 3.192 2.581 ( 2.699 5.675 -3.532) 7.209 2.636 ( 0.134 8.534 5.115) 9.950 2.693 ( 1.429 6.304 -4.831) 8.070 2.736 ( 4.097 4.883 0.216) 6.378 2.829 ( 2.123 6.418 -1.069) 6.844 3.032 ( -0.178 -2.258 1.004) 2.477 3.072 ( -0.295 -1.046 -1.511) 1.861 3.138 ( 1.423 2.478 2.020) 3.499 3.209 ( 4.369 -5.094 -0.856) 6.766 3.347 ( 3.637 -2.034 -4.319) 6.002 3.404 ( 2.263 4.234 1.089) 4.923 3.524 ( -2.206 3.556 -2.530) 4.890 3.609 ( 1.768 2.033 5.471) 6.098 3.653 ( 0.988 -1.249 2.116) 2.649 3.694 ( -0.578 -0.418 -2.690) 2.783 3.812 ( -3.938 6.018 -2.309) 7.553 3.862 ( -0.077 2.069 -2.316) 3.107 3.982 ( 0.788 1.362 2.589) 3.030 4.013 ( -0.832 1.861 1.533) 2.550 4.182 ( -2.385 0.052 -3.118) 3.926 4.243 ( 0.793 -0.027 1.627) 1.810 4.304 ( -3.107 -0.573 0.582) 3.213 4.351 ( -2.141 3.039 2.213) 4.326 4.445 ( 0.082 1.881 2.405) 3.054 4.534 ( 2.531 2.487 0.449) 3.577 4.619 ( 0.097 -1.471 2.077) 2.547 4.688 ( 4.013 4.350 -6.482) 8.778 4.747 ( 0.126 1.278 1.227) 1.776 4.865 ( 0.822 3.626 0.728) 3.789 4.927 ( 0.074 0.652 -2.710) 2.789 5.187 ( -2.641 0.086 2.115) 3.385 5.344 ( -2.797 1.431 -3.404) 4.632 5.465 ( -2.815 1.178 0.217) 3.059 5.541 ( -1.348 2.347 -3.151) 4.154 5.710 ( -1.444 -5.832 0.637) 6.041 5.761 ( -4.170 -4.660 6.389) 8.940 6.025 ( 0.801 3.672 0.457) 3.786 6.312 ( -2.505 -7.863 2.116) 8.520 6.434 ( -1.754 -2.963 -3.955) 5.244 8.550 ( 3.170 3.071 0.315) 4.425 8.732 ( 0.911 -1.236 0.696) 1.686 8.890 ( 2.087 -1.253 0.969) 2.620 9.081 ( 2.116 -1.644 -0.181) 2.685 9.344 ( -1.425 0.926 -0.488) 1.768 9.498 ( 1.100 -1.633 0.422) 2.014 9.976 ( -2.025 2.524 -0.340) 3.254 10.221 ( -1.208 -2.974 -1.369) 3.490 10.624 ( -0.356 4.057 -0.953) 4.182 10.747 ( 0.135 4.993 -0.352) 5.007 10.811 ( 2.366 -2.055 -0.114) 3.136 11.234 ( -9.239 0.374 -0.637) 9.269 11.410 ( -1.280 -2.656 1.326) 3.233 11.487 ( -2.420 -2.908 -3.753) 5.329 11.650 ( -3.654 3.499 0.594) 5.094 11.805 ( -1.830 6.390 1.331) 6.779 12.025 ( 4.741 7.323 -2.402) 9.048 12.433 ( -3.466 -3.901 6.257) 8.148 12.541 ( 5.487 -7.336 -1.129) 9.230 12.948 ( 0.833 -7.608 0.146) 7.654 21.847 ( 0.116 0.330 0.809) 0.881 21.856 ( 0.171 0.640 -0.294) 0.725 22.356 ( -0.720 10.917 -0.598) 10.957 22.430 ( -0.205 2.784 0.837) 2.914 22.483 ( 0.178 6.760 -2.251) 7.128 22.876 ( -0.254 -0.448 1.351) 1.446 23.009 ( 1.019 -0.183 -0.667) 1.232 23.106 ( 5.298 -2.107 -0.299) 5.709 23.339 ( -0.320 -0.132 -1.332) 1.376 23.412 ( 1.919 -0.658 -0.413) 2.071 23.614 ( -3.780 3.140 2.908) 5.710 24.128 ( -6.642 -7.105 -0.398) 9.734 24.484 ( 0.623 0.143 1.133) 1.301 24.565 ( 0.752 -0.737 0.419) 1.133 24.832 ( 5.484 1.875 -3.112) 6.578 24.997 ( -8.257 -3.489 0.976) 9.017 ======================= Grid point 142 (72/90) ======================= q-point: ( 0.29 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( 13.199 3.699 5.874) 14.913 1.636 ( 9.876 1.937 4.730) 11.120 1.746 ( 3.463 11.010 3.150) 11.964 1.846 ( 1.406 2.043 3.117) 3.983 2.011 ( 1.532 8.681 2.506) 9.164 2.085 ( 4.610 6.386 -5.540) 9.629 2.280 ( -0.241 0.931 0.176) 0.978 2.367 ( 0.965 2.421 -2.728) 3.773 2.450 ( -3.832 -0.815 -5.904) 7.086 2.588 ( -2.673 6.023 0.071) 6.590 2.626 ( 2.097 10.164 0.289) 10.382 2.757 ( 3.373 7.514 -3.799) 9.070 2.814 ( 2.004 4.541 -2.122) 5.398 2.906 ( 6.399 8.114 1.585) 10.454 3.016 ( -1.743 2.328 1.309) 3.189 3.072 ( 0.914 -0.171 0.387) 1.007 3.168 ( 0.616 0.400 1.614) 1.773 3.306 ( 4.516 -6.361 -1.154) 7.886 3.392 ( 1.633 -0.011 -2.237) 2.769 3.460 ( 2.769 1.090 1.214) 3.213 3.494 ( 0.134 1.864 -0.436) 1.919 3.619 ( -0.473 2.184 4.898) 5.384 3.688 ( 0.294 1.068 0.518) 1.223 3.715 ( 0.714 1.015 -2.121) 2.458 3.777 ( 5.038 0.041 -1.019) 5.140 3.858 ( -0.341 -1.289 2.170) 2.547 3.975 ( -2.471 1.275 2.578) 3.792 4.007 ( 0.594 0.203 -4.017) 4.066 4.129 ( -1.386 1.295 -1.631) 2.501 4.252 ( -0.576 -0.474 1.654) 1.814 4.284 ( -4.171 3.771 2.025) 5.976 4.316 ( 4.420 -1.264 -0.076) 4.598 4.438 ( -1.639 2.042 2.901) 3.908 4.588 ( 2.614 0.590 -0.549) 2.735 4.625 ( 0.904 -0.561 3.740) 3.889 4.735 ( -0.642 3.981 -0.129) 4.035 4.776 ( 3.006 3.503 -4.746) 6.620 4.854 ( -0.288 5.855 2.589) 6.409 4.937 ( 0.155 -4.938 -4.987) 7.020 5.138 ( -2.522 0.690 4.609) 5.299 5.279 ( -3.147 1.431 -5.096) 6.158 5.423 ( -1.777 1.977 -1.015) 2.845 5.484 ( -3.193 2.403 -1.517) 4.274 5.626 ( -7.796 -5.088 4.467) 10.326 5.701 ( -2.057 -1.712 -1.585) 3.110 6.035 ( -0.673 4.228 0.071) 4.281 6.245 ( -3.174 -10.388 0.601) 10.878 6.419 ( -0.236 2.804 0.048) 2.814 8.621 ( 4.031 3.806 0.760) 5.595 8.753 ( 1.061 0.438 0.720) 1.355 8.944 ( 3.354 -3.002 0.869) 4.584 9.141 ( 3.653 0.032 0.410) 3.677 9.311 ( -1.533 1.966 -0.934) 2.662 9.505 ( -0.817 0.041 1.351) 1.579 9.928 ( -2.669 2.590 -0.393) 3.740 10.212 ( 0.537 -5.980 -1.573) 6.206 10.589 ( -2.757 2.789 -1.400) 4.164 10.762 ( 1.039 4.475 -0.102) 4.595 10.859 ( 1.722 -2.081 0.872) 2.839 11.066 ( -7.044 2.174 -1.908) 7.615 11.353 ( -4.223 -3.899 0.022) 5.748 11.441 ( -1.393 -0.065 -3.312) 3.593 11.573 ( -4.659 2.623 1.423) 5.533 11.777 ( -1.101 5.603 0.614) 5.744 12.106 ( 3.634 7.091 -1.177) 8.055 12.348 ( -4.369 -3.452 5.633) 7.920 12.675 ( 7.167 -6.798 -2.188) 10.118 12.953 ( -0.445 -9.819 0.348) 9.835 21.850 ( 0.131 0.328 0.910) 0.976 21.862 ( 0.387 0.694 -0.421) 0.900 22.337 ( -1.183 12.378 -0.769) 12.458 22.425 ( -0.411 2.423 -0.259) 2.471 22.486 ( 0.304 5.160 -0.929) 5.252 22.876 ( 0.178 0.309 2.818) 2.841 23.046 ( 2.663 1.043 -0.767) 2.962 23.192 ( 2.623 -0.758 0.564) 2.788 23.353 ( 2.252 0.056 -2.657) 3.483 23.454 ( 2.594 -0.584 0.054) 2.659 23.539 ( -3.849 2.224 3.598) 5.719 23.997 ( -6.675 -1.507 -0.966) 6.911 24.494 ( 0.202 0.651 1.309) 1.476 24.581 ( 0.924 -0.539 0.191) 1.086 24.796 ( -9.487 -4.095 -1.577) 10.453 24.951 ( 4.273 -2.158 -0.686) 4.836 ======================= Grid point 143 (73/90) ======================= q-point: ( 0.43 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( 9.779 2.599 1.082) 10.176 1.712 ( 0.180 7.023 3.303) 7.763 1.828 ( 4.613 5.034 5.020) 8.475 1.900 ( 3.402 7.185 1.558) 8.101 2.024 ( 0.258 6.184 2.052) 6.521 2.107 ( -2.975 4.359 -3.553) 6.362 2.275 ( -1.044 3.447 -2.206) 4.224 2.338 ( -3.984 2.772 -2.876) 5.641 2.441 ( 4.139 3.825 -2.413) 6.131 2.513 ( -3.878 8.892 -0.499) 9.714 2.681 ( 2.013 7.443 -4.217) 8.788 2.817 ( 1.652 2.832 1.245) 3.507 2.826 ( 1.104 8.728 -0.312) 8.803 2.958 ( -2.102 4.399 0.173) 4.878 3.025 ( 4.266 4.278 1.423) 6.207 3.094 ( 0.384 1.507 -0.630) 1.678 3.174 ( 1.318 0.281 1.789) 2.240 3.332 ( -1.950 -3.674 -3.915) 5.712 3.364 ( -3.437 2.040 -2.026) 4.481 3.509 ( 2.660 -1.814 2.662) 4.178 3.544 ( 1.978 3.592 1.076) 4.239 3.615 ( 0.079 -0.130 4.646) 4.649 3.688 ( 1.775 -2.663 -2.514) 4.070 3.762 ( 2.804 -1.626 -2.255) 3.949 3.805 ( -3.138 -2.543 5.413) 6.754 3.898 ( 3.336 0.317 1.207) 3.562 3.948 ( 0.445 0.532 0.824) 1.077 4.033 ( 2.111 0.241 -3.267) 3.897 4.111 ( -1.755 1.583 0.853) 2.513 4.191 ( -4.350 -1.355 0.599) 4.596 4.280 ( 3.178 3.434 1.361) 4.873 4.391 ( -2.900 1.805 2.233) 4.081 4.448 ( 8.464 -0.552 -0.349) 8.490 4.578 ( -3.808 -1.440 -0.833) 4.155 4.653 ( 0.867 4.956 2.648) 5.686 4.725 ( 1.241 -1.090 2.590) 3.072 4.784 ( -1.362 1.049 -2.368) 2.926 4.853 ( -1.938 0.291 0.240) 1.975 4.936 ( 0.179 3.168 -4.099) 5.184 5.130 ( 2.827 0.446 2.614) 3.876 5.242 ( -0.818 1.352 -4.722) 4.979 5.378 ( -2.600 -0.821 -0.700) 2.815 5.439 ( -5.225 2.469 -1.341) 5.933 5.515 ( 0.750 -0.029 4.236) 4.302 5.658 ( -2.397 -0.459 -3.783) 4.502 5.998 ( -2.095 3.160 -1.148) 3.962 6.219 ( -0.185 -7.882 1.913) 8.113 6.417 ( 0.030 4.265 0.450) 4.288 8.690 ( 2.969 5.178 0.829) 6.026 8.760 ( -0.516 0.371 0.371) 0.736 8.998 ( 1.891 -3.876 0.546) 4.348 9.188 ( 0.973 0.717 -0.321) 1.250 9.307 ( 1.006 4.526 -0.071) 4.637 9.475 ( -1.558 1.005 1.006) 2.109 9.891 ( -0.998 3.063 -0.275) 3.234 10.228 ( 0.635 -8.460 -1.107) 8.556 10.548 ( -1.102 0.884 -1.813) 2.299 10.776 ( 0.778 4.072 0.686) 4.202 10.841 ( -2.757 -0.525 -1.153) 3.034 11.010 ( 0.030 1.617 -0.346) 1.654 11.286 ( -2.380 -4.383 0.271) 4.995 11.431 ( -0.556 5.309 -1.995) 5.699 11.493 ( -2.553 -2.398 1.177) 3.695 11.765 ( -0.130 5.343 -0.075) 5.345 12.139 ( -0.478 6.586 3.176) 7.327 12.305 ( -0.022 -1.868 1.195) 2.217 12.779 ( 3.477 -6.570 -2.000) 7.698 12.937 ( -0.817 -11.532 -0.123) 11.562 21.852 ( 0.042 0.565 0.871) 1.039 21.868 ( 0.313 0.513 -0.561) 0.822 22.317 ( -0.764 13.446 -0.492) 13.477 22.416 ( -0.433 2.348 -0.431) 2.426 22.493 ( 0.375 3.750 -0.504) 3.802 22.885 ( 0.597 0.250 3.591) 3.649 23.100 ( 2.925 2.715 0.221) 3.997 23.192 ( -1.940 0.237 -0.741) 2.090 23.385 ( -0.128 1.106 0.511) 1.225 23.478 ( -0.109 0.908 1.009) 1.361 23.527 ( 2.292 -2.471 0.167) 3.374 23.896 ( -3.484 3.664 -1.007) 5.156 24.493 ( -0.242 1.216 2.127) 2.462 24.591 ( -0.139 2.386 -0.374) 2.419 24.663 ( -3.348 -8.855 -2.545) 9.802 25.011 ( 1.851 -3.598 -0.569) 4.087 ======================= Grid point 144 (74/90) ======================= q-point: (-0.43 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( -7.989 3.357 -0.071) 8.666 1.758 ( 1.972 6.046 2.030) 6.675 1.849 ( -3.961 6.962 3.049) 8.571 1.934 ( 0.386 8.324 1.120) 8.408 2.021 ( -2.108 3.888 0.010) 4.423 2.056 ( 0.350 2.131 -1.368) 2.556 2.205 ( -2.506 6.892 3.385) 8.077 2.327 ( -0.023 6.321 -1.666) 6.537 2.431 ( -2.114 1.259 -2.633) 3.604 2.547 ( 4.435 6.644 -2.010) 8.237 2.677 ( -2.004 8.344 -3.032) 9.102 2.790 ( -2.332 5.172 2.596) 6.239 2.851 ( -1.086 7.219 -1.022) 7.371 2.943 ( 0.342 4.378 0.997) 4.503 3.058 ( -2.095 2.453 -1.356) 3.499 3.100 ( 0.886 0.586 -1.835) 2.121 3.207 ( 1.732 0.124 1.277) 2.155 3.274 ( -2.090 -0.052 -2.459) 3.227 3.326 ( -0.238 0.382 2.000) 2.050 3.518 ( -1.374 1.424 3.023) 3.613 3.550 ( -1.361 1.297 0.591) 1.971 3.622 ( 0.092 -1.757 1.398) 2.247 3.690 ( -2.769 -1.381 0.692) 3.170 3.754 ( 0.102 0.479 -2.513) 2.561 3.835 ( 3.003 -4.066 3.474) 6.134 3.928 ( -1.607 1.842 0.224) 2.455 3.944 ( 0.795 -1.842 -2.053) 2.871 4.006 ( -5.032 0.433 -0.288) 5.059 4.105 ( 1.707 1.511 -0.393) 2.314 4.163 ( 1.157 -2.315 4.857) 5.503 4.299 ( -2.803 3.109 -0.562) 4.224 4.393 ( 3.436 0.608 1.205) 3.691 4.468 ( -5.481 -0.786 -1.216) 5.669 4.573 ( 3.420 2.493 -0.479) 4.259 4.661 ( -0.426 1.985 2.880) 3.524 4.713 ( -2.095 -0.407 -2.032) 2.947 4.798 ( 2.305 -6.494 1.029) 6.967 4.868 ( 3.927 4.212 1.827) 6.041 4.911 ( -1.920 5.401 -3.986) 6.982 5.167 ( -1.623 0.603 0.646) 1.848 5.243 ( 1.361 0.715 -5.615) 5.822 5.353 ( 2.632 4.115 0.015) 4.885 5.389 ( 0.201 -2.306 2.615) 3.492 5.578 ( 1.874 -0.280 0.826) 2.067 5.634 ( 2.206 1.551 -3.372) 4.317 6.001 ( 2.849 1.242 -0.486) 3.146 6.218 ( -0.320 -6.378 1.483) 6.556 6.422 ( 0.550 4.285 0.105) 4.322 8.699 ( -2.527 6.115 -0.064) 6.617 8.759 ( 0.891 -0.615 0.525) 1.203 9.001 ( -1.680 -4.474 0.356) 4.792 9.193 ( -0.242 0.898 -0.628) 1.122 9.305 ( -1.232 5.076 -0.043) 5.224 9.487 ( 2.623 1.082 0.040) 2.838 9.892 ( 1.007 3.246 -0.386) 3.421 10.222 ( -1.183 -8.123 -0.565) 8.228 10.550 ( 1.261 0.618 -2.011) 2.453 10.783 ( -0.885 4.288 -0.312) 4.390 10.832 ( 3.076 -0.227 0.017) 3.084 11.006 ( -0.898 1.131 0.107) 1.448 11.272 ( 0.752 -3.523 1.695) 3.981 11.395 ( -1.406 2.684 1.139) 3.237 11.518 ( 3.665 -0.795 -1.166) 3.927 11.771 ( 0.785 5.361 -0.689) 5.461 12.102 ( -3.198 6.535 5.661) 9.219 12.337 ( 2.847 -2.304 -0.607) 3.712 12.780 ( -3.109 -6.166 -2.392) 7.308 12.943 ( 1.337 -11.553 -0.512) 11.642 21.852 ( -0.149 0.774 0.730) 1.074 21.872 ( 0.030 0.334 -0.628) 0.712 22.312 ( 0.297 13.732 -0.052) 13.735 22.410 ( -0.194 2.478 0.085) 2.487 22.498 ( 0.127 3.208 -0.866) 3.326 22.897 ( 0.332 -0.631 2.668) 2.761 23.111 ( -3.090 2.492 -0.643) 4.022 23.180 ( 2.284 0.596 0.190) 2.368 23.349 ( -3.388 1.885 3.182) 5.015 23.499 ( 0.310 -0.326 -0.351) 0.570 23.527 ( -0.518 -1.531 0.132) 1.622 23.893 ( 3.026 4.145 -0.838) 5.200 24.494 ( 0.265 0.925 2.061) 2.274 24.590 ( 0.142 2.518 -0.367) 2.548 24.666 ( 3.574 -8.382 -2.701) 9.504 25.015 ( -1.364 -3.818 -0.944) 4.163 ======================= Grid point 145 (75/90) ======================= q-point: (-0.29 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( -12.068 1.063 1.436) 12.199 1.656 ( -11.117 7.861 4.370) 14.299 1.781 ( -3.163 13.005 1.134) 13.432 1.896 ( -5.188 -1.462 2.805) 6.076 2.014 ( -0.398 6.666 -5.073) 8.386 2.046 ( 1.297 3.625 -1.147) 4.017 2.196 ( -1.436 9.149 8.098) 12.302 2.314 ( -0.247 4.315 -0.373) 4.338 2.419 ( 0.129 -2.563 -2.764) 3.772 2.599 ( 0.601 8.489 -1.198) 8.595 2.645 ( -0.566 4.529 -0.594) 4.603 2.734 ( -3.310 9.000 1.802) 9.757 2.806 ( -2.268 4.203 -2.346) 5.321 2.912 ( -3.818 5.276 1.314) 6.644 3.027 ( -0.406 2.260 -1.042) 2.522 3.098 ( -0.676 1.491 -3.422) 3.793 3.219 ( -0.448 -0.001 0.484) 0.660 3.276 ( -0.720 -2.866 -1.607) 3.364 3.309 ( -2.001 -1.323 4.125) 4.772 3.466 ( -3.138 0.466 1.271) 3.418 3.505 ( -3.277 0.669 0.667) 3.410 3.622 ( 1.003 1.191 1.975) 2.515 3.675 ( 0.866 4.380 -0.010) 4.464 3.738 ( -1.175 -0.564 -3.661) 3.886 3.841 ( -3.986 -0.730 0.730) 4.118 3.864 ( -1.988 1.856 -1.920) 3.329 3.948 ( 0.492 -0.380 -0.280) 0.682 4.007 ( 3.737 -1.766 0.349) 4.148 4.109 ( -0.853 1.963 0.725) 2.260 4.184 ( 0.459 -0.915 7.029) 7.103 4.266 ( 0.669 0.725 -0.786) 1.261 4.405 ( 1.002 1.335 -2.599) 3.089 4.476 ( 2.773 1.648 -0.301) 3.240 4.586 ( -3.015 2.393 -0.179) 3.854 4.630 ( -2.212 1.577 1.461) 3.085 4.692 ( -0.128 -0.899 -2.714) 2.861 4.809 ( -0.488 -2.227 -0.187) 2.288 4.872 ( -2.495 1.314 -0.523) 2.868 4.922 ( 0.896 2.435 -0.547) 2.651 5.177 ( 3.061 2.436 1.967) 4.379 5.282 ( 3.774 0.877 -8.864) 9.674 5.391 ( 1.101 -0.549 1.640) 2.050 5.453 ( 4.455 3.562 3.196) 6.538 5.600 ( 2.613 -0.367 1.747) 3.165 5.711 ( 3.987 -0.964 0.135) 4.104 6.074 ( 3.127 -2.695 -0.502) 4.158 6.218 ( 1.121 -5.392 1.107) 5.617 6.442 ( 1.682 2.545 -1.800) 3.542 8.631 ( -4.233 4.056 -0.171) 5.865 8.765 ( -0.502 0.470 -0.256) 0.733 8.948 ( -3.512 -4.741 0.492) 5.921 9.171 ( -1.890 0.220 -1.751) 2.585 9.296 ( 0.433 3.170 -0.034) 3.200 9.528 ( 0.865 0.215 -0.534) 1.039 9.925 ( 2.419 3.006 -0.186) 3.863 10.199 ( -0.635 -5.284 -0.440) 5.340 10.591 ( 3.079 3.075 -1.605) 4.638 10.759 ( -1.815 4.104 -0.597) 4.527 10.882 ( -0.642 -2.142 -0.768) 2.364 11.028 ( 6.277 2.105 1.817) 6.865 11.314 ( 3.656 -2.056 3.713) 5.602 11.404 ( 1.882 -1.176 -0.038) 2.220 11.595 ( 4.227 1.594 -0.789) 4.586 11.794 ( 1.702 5.637 -1.166) 6.002 12.034 ( -4.310 7.313 5.461) 10.094 12.400 ( 3.682 -5.627 1.414) 6.872 12.684 ( -6.436 -4.709 -3.623) 8.760 12.963 ( 0.377 -10.125 -0.330) 10.138 21.848 ( -0.222 0.820 0.607) 1.044 21.869 ( -0.271 0.286 -0.557) 0.682 22.327 ( 1.235 13.075 0.049) 13.133 22.410 ( 0.147 3.245 0.800) 3.346 22.496 ( -0.228 3.447 -1.434) 3.741 22.897 ( -0.335 -1.270 1.055) 1.685 23.046 ( -3.077 0.263 -0.935) 3.226 23.200 ( -2.903 -0.313 -0.033) 2.920 23.289 ( -0.727 1.831 3.184) 3.744 23.448 ( -2.906 -0.571 0.417) 2.991 23.586 ( 4.414 0.436 -0.628) 4.479 23.979 ( 5.788 0.508 0.562) 5.838 24.500 ( 0.213 0.854 0.818) 1.201 24.582 ( -0.819 0.010 0.070) 0.822 24.781 ( 6.997 -3.342 -0.401) 7.765 24.970 ( -2.413 -3.108 -2.266) 4.540 ======================= Grid point 146 (76/90) ======================= q-point: (-0.14 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( -4.742 -1.050 3.572) 6.029 1.414 ( -14.392 7.397 3.438) 16.542 1.714 ( -3.752 9.998 5.399) 11.966 1.801 ( -3.780 -0.702 3.397) 5.130 1.968 ( -2.706 4.280 -3.634) 6.232 2.069 ( -1.638 13.245 -5.008) 14.255 2.200 ( 2.822 3.561 11.023) 11.923 2.300 ( -0.506 4.066 4.429) 6.034 2.422 ( 0.553 -0.910 -5.869) 5.965 2.589 ( -1.705 7.907 -0.229) 8.092 2.631 ( 0.062 4.888 0.819) 4.956 2.703 ( -0.761 8.511 -1.414) 8.661 2.780 ( -1.301 0.077 -2.286) 2.632 2.849 ( -2.782 7.626 -1.421) 8.241 3.011 ( -0.679 -1.856 1.641) 2.568 3.078 ( -1.215 0.215 -2.066) 2.407 3.185 ( -3.556 -3.794 1.555) 5.428 3.226 ( -3.062 -0.860 -3.978) 5.093 3.260 ( -1.181 -0.297 0.527) 1.326 3.421 ( -2.724 4.075 -0.941) 4.991 3.494 ( 2.145 0.177 2.044) 2.968 3.612 ( -1.370 -2.379 1.707) 3.233 3.694 ( -0.979 3.967 -1.285) 4.283 3.746 ( 2.147 6.051 -0.765) 6.466 3.772 ( -1.508 -0.474 -3.164) 3.537 3.853 ( 0.743 2.614 -1.594) 3.150 3.982 ( 1.416 3.948 1.461) 4.441 4.054 ( 0.901 -0.698 2.377) 2.636 4.112 ( 1.702 -0.740 0.064) 1.857 4.225 ( 3.752 0.751 4.170) 5.660 4.299 ( 2.095 1.301 -0.166) 2.472 4.434 ( 0.991 3.437 -1.312) 3.810 4.480 ( -4.461 2.184 -3.900) 6.315 4.516 ( -0.367 0.620 1.394) 1.569 4.579 ( -2.978 0.273 2.215) 3.721 4.688 ( -0.657 -0.545 -3.431) 3.536 4.802 ( -0.714 1.163 -2.321) 2.693 4.826 ( -1.648 0.400 0.778) 1.866 4.930 ( 0.393 1.593 0.972) 1.907 5.222 ( 1.274 2.967 -0.548) 3.275 5.353 ( 2.793 1.022 -6.585) 7.226 5.435 ( 3.893 -2.192 3.258) 5.529 5.512 ( 1.866 3.080 0.638) 3.658 5.671 ( 3.728 0.976 3.385) 5.129 5.768 ( 2.227 -3.776 3.837) 5.826 6.077 ( -1.929 -3.723 -1.041) 4.320 6.269 ( 3.200 -4.903 3.152) 6.649 6.475 ( 1.590 -2.537 -6.031) 6.733 8.555 ( -3.452 3.067 -0.147) 4.620 8.746 ( -1.257 -0.652 -0.554) 1.521 8.889 ( -2.343 -3.156 0.870) 4.026 9.126 ( -2.810 -1.616 -4.028) 5.171 9.315 ( 1.554 1.748 1.897) 3.011 9.516 ( -1.600 -1.347 -0.904) 2.279 9.971 ( 2.162 2.903 -0.037) 3.620 10.210 ( 1.630 -2.345 -0.404) 2.884 10.637 ( 0.699 4.801 -2.116) 5.293 10.727 ( -0.487 4.327 0.618) 4.398 10.832 ( -2.982 -2.060 -1.422) 3.894 11.210 ( 10.575 0.069 1.950) 10.753 11.396 ( 3.650 -2.293 4.509) 6.238 11.442 ( 2.120 -2.291 -1.792) 3.599 11.665 ( 3.199 2.591 -0.877) 4.210 11.834 ( 2.330 6.229 -1.601) 6.840 11.954 ( -3.880 7.939 4.603) 9.963 12.452 ( 0.257 -9.858 4.117) 10.686 12.568 ( -4.121 -1.420 -3.451) 5.559 12.953 ( -1.151 -8.079 -0.255) 8.165 21.845 ( -0.104 0.740 0.567) 0.938 21.862 ( -0.365 0.313 -0.379) 0.612 22.351 ( 1.050 11.221 -0.162) 11.272 22.418 ( 0.659 4.768 1.371) 5.005 22.489 ( -0.449 4.435 -2.060) 4.911 22.889 ( -0.529 -1.255 0.325) 1.400 23.009 ( -0.625 -1.562 -0.709) 1.826 23.100 ( -5.605 -0.803 0.278) 5.669 23.317 ( 2.034 0.080 0.720) 2.159 23.406 ( -1.750 -0.403 0.183) 1.805 23.655 ( 2.356 1.119 -0.880) 2.753 24.105 ( 7.185 -5.246 1.618) 9.042 24.499 ( -0.386 0.590 -0.102) 0.712 24.566 ( -0.902 -0.515 0.324) 1.088 24.801 ( -3.959 2.392 -0.275) 4.634 25.018 ( 6.347 -3.654 -0.994) 7.391 ======================= Grid point 147 (77/90) ======================= q-point: ( 0.00 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( 3.363 -0.490 3.687) 5.014 1.195 ( -4.761 -4.570 -1.327) 6.731 1.768 ( -0.458 5.098 4.342) 6.712 1.869 ( 0.301 2.307 -4.241) 4.837 2.002 ( -2.805 5.211 2.041) 6.260 2.186 ( -2.114 3.426 6.796) 7.899 2.293 ( 0.910 -0.270 0.019) 0.950 2.378 ( 3.345 -0.797 -5.242) 6.269 2.516 ( 0.139 5.668 -1.857) 5.967 2.580 ( 0.219 -1.701 -1.204) 2.096 2.664 ( 0.186 -1.892 -1.352) 2.333 2.759 ( 0.618 0.894 0.907) 1.415 2.790 ( -0.273 0.970 -0.655) 1.202 2.879 ( 0.870 -2.541 -1.570) 3.111 3.019 ( 0.470 0.760 -0.662) 1.112 3.061 ( -0.606 2.110 -0.561) 2.266 3.121 ( 1.380 1.342 -2.648) 3.273 3.179 ( 1.196 2.351 -1.308) 2.944 3.393 ( -1.448 6.608 -0.451) 6.780 3.486 ( -0.437 1.032 -0.584) 1.264 3.510 ( 1.169 -0.519 4.527) 4.704 3.587 ( -0.679 -3.183 -1.579) 3.617 3.654 ( -0.964 4.539 -0.588) 4.678 3.801 ( 0.021 5.858 -0.888) 5.925 3.952 ( 1.475 5.120 0.147) 5.330 4.003 ( -1.376 3.259 0.126) 3.540 4.045 ( 0.359 4.266 1.441) 4.517 4.109 ( -0.565 1.677 2.967) 3.455 4.146 ( 2.051 2.371 4.652) 5.610 4.291 ( -2.091 1.780 -3.076) 4.124 4.346 ( 1.185 0.986 -0.277) 1.566 4.409 ( -3.389 -0.198 2.585) 4.267 4.503 ( 0.086 -1.438 -1.585) 2.142 4.521 ( 0.398 -0.501 0.150) 0.657 4.587 ( 0.341 0.035 0.038) 0.345 4.625 ( 2.008 -2.665 -3.879) 5.116 4.803 ( 0.077 3.134 0.045) 3.135 4.859 ( -0.041 0.858 -4.350) 4.434 5.047 ( 0.969 6.195 5.401) 8.276 5.187 ( -2.780 -2.953 0.932) 4.162 5.339 ( 1.792 -4.933 -1.381) 5.427 5.408 ( 0.331 -3.095 4.404) 5.393 5.584 ( -0.126 1.837 0.676) 1.961 5.672 ( -2.450 -0.446 -4.040) 4.746 5.836 ( 1.478 5.268 2.685) 6.094 6.049 ( 0.745 -0.344 0.870) 1.196 6.197 ( -0.454 -3.039 -1.834) 3.579 6.392 ( -0.200 -3.945 -0.664) 4.005 8.558 ( -0.109 1.312 0.332) 1.358 8.659 ( -0.166 -3.618 1.171) 3.806 8.898 ( 0.280 2.935 -0.804) 3.056 9.026 ( -0.972 -2.532 -2.940) 4.000 9.360 ( 0.379 0.711 1.327) 1.552 9.436 ( -0.755 -2.719 -0.296) 2.837 10.068 ( -0.025 3.640 -0.540) 3.679 10.192 ( 0.060 -2.156 -0.971) 2.365 10.710 ( -0.792 3.021 -1.310) 3.387 10.754 ( 0.018 -0.120 -0.067) 0.139 10.911 ( 0.359 8.524 -0.716) 8.562 11.267 ( 0.050 -5.925 1.306) 6.068 11.380 ( 1.519 -0.846 0.588) 1.836 11.418 ( 0.923 -2.593 -2.124) 3.477 11.755 ( -0.396 3.178 -0.334) 3.220 11.918 ( -0.770 -0.668 0.496) 1.133 12.085 ( 1.303 5.364 1.453) 5.708 12.260 ( 0.024 -6.579 2.171) 6.928 12.545 ( -1.179 3.939 0.844) 4.197 12.793 ( 0.097 -6.956 -0.116) 6.958 21.848 ( -0.100 0.123 0.555) 0.577 21.862 ( -0.114 -0.182 -0.218) 0.306 22.484 ( 0.376 4.259 0.767) 4.344 22.521 ( -0.494 3.232 -0.568) 3.318 22.643 ( 0.412 6.241 -0.709) 6.295 22.828 ( 0.253 -3.987 -0.034) 3.995 22.986 ( 0.333 0.295 0.246) 0.508 23.023 ( -0.162 -0.471 -0.490) 0.699 23.342 ( 0.447 0.149 -0.386) 0.609 23.372 ( 0.054 -0.887 -0.466) 1.003 23.717 ( -0.339 3.131 0.827) 3.256 23.974 ( 0.057 -9.430 0.708) 9.457 24.508 ( -0.936 0.690 0.783) 1.402 24.532 ( 0.026 -0.857 0.295) 0.907 24.879 ( 0.453 5.133 -1.735) 5.437 25.023 ( -0.173 -2.380 -0.225) 2.397 ======================= Grid point 148 (78/90) ======================= q-point: ( 0.14 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( 6.058 3.276 1.692) 7.092 1.318 ( 13.718 -5.542 2.198) 14.957 1.813 ( 4.526 4.071 4.652) 7.662 1.914 ( 2.799 6.850 -1.775) 7.609 1.982 ( 1.972 -1.214 3.178) 3.932 2.167 ( -0.424 5.171 3.441) 6.226 2.290 ( -0.502 -3.451 -1.905) 3.974 2.404 ( -1.424 -3.632 -3.505) 5.244 2.498 ( 1.061 8.403 -4.877) 9.774 2.651 ( 3.994 -0.033 0.222) 4.000 2.703 ( 4.097 -0.495 -1.771) 4.491 2.791 ( 2.945 2.985 0.436) 4.215 2.833 ( 4.098 -0.365 -0.218) 4.120 2.923 ( 3.785 0.035 -2.137) 4.346 3.027 ( 0.131 -0.397 -0.595) 0.727 3.052 ( 0.788 3.697 -1.068) 3.929 3.148 ( 1.730 0.957 -3.091) 3.669 3.246 ( 4.684 1.717 -3.037) 5.841 3.359 ( -1.711 5.984 0.756) 6.269 3.481 ( -0.011 1.508 -0.369) 1.553 3.535 ( -0.682 -0.687 3.499) 3.630 3.575 ( 1.436 -3.096 -1.009) 3.559 3.670 ( 2.223 3.242 1.238) 4.122 3.813 ( 1.097 6.477 0.300) 6.576 3.908 ( -4.195 4.116 -1.272) 6.013 3.962 ( -4.452 5.769 1.949) 7.544 4.034 ( -2.521 2.483 0.837) 3.637 4.057 ( -3.011 1.365 2.144) 3.940 4.149 ( -1.580 -1.820 1.336) 2.756 4.271 ( -0.384 0.339 0.069) 0.517 4.315 ( -1.954 4.145 -0.689) 4.634 4.391 ( -0.147 -0.014 4.721) 4.723 4.508 ( 0.875 0.577 -1.026) 1.467 4.538 ( -0.440 -1.045 -1.420) 1.817 4.594 ( 2.163 -1.338 0.076) 2.544 4.675 ( 2.179 -3.671 -3.695) 5.646 4.808 ( 0.608 2.989 -1.772) 3.528 4.844 ( -1.358 -0.723 -3.248) 3.594 5.059 ( -0.203 7.617 3.194) 8.262 5.146 ( -0.775 -1.377 4.227) 4.513 5.334 ( -1.747 -2.237 -2.427) 3.734 5.423 ( 0.040 -5.368 4.151) 6.785 5.567 ( -2.105 2.626 0.848) 3.471 5.628 ( -1.362 -0.642 -0.936) 1.773 5.821 ( -3.061 4.997 -0.794) 5.914 6.054 ( -0.526 -2.927 0.080) 2.975 6.171 ( -1.741 -0.013 -0.872) 1.947 6.404 ( 1.260 -3.194 -0.127) 3.436 8.590 ( 3.215 1.205 0.626) 3.490 8.682 ( 2.472 -3.040 1.171) 4.090 8.913 ( 1.277 3.001 -1.154) 3.459 9.045 ( 3.031 -2.141 -1.122) 3.877 9.360 ( -0.369 0.893 0.473) 1.076 9.446 ( 1.606 -2.880 0.952) 3.432 10.042 ( -2.455 3.451 -0.456) 4.260 10.165 ( -2.609 -2.401 -1.193) 3.741 10.704 ( -0.443 3.081 -0.075) 3.114 10.772 ( 1.580 -0.522 0.347) 1.700 10.904 ( -0.697 8.035 -1.067) 8.136 11.213 ( -5.064 -3.252 -0.011) 6.019 11.354 ( -3.849 -1.740 -1.046) 4.352 11.411 ( -1.403 -3.348 -3.130) 4.793 11.729 ( -2.251 4.235 0.422) 4.815 11.898 ( -1.315 0.875 1.219) 1.995 12.134 ( 3.523 3.139 -0.080) 4.719 12.266 ( 0.016 -6.685 2.710) 7.213 12.542 ( 1.158 3.497 1.376) 3.932 12.788 ( -0.718 -7.302 -0.265) 7.342 21.848 ( 0.056 0.097 0.718) 0.727 21.863 ( 0.195 -0.224 -0.122) 0.321 22.484 ( -0.402 3.736 0.094) 3.759 22.506 ( -0.953 3.243 0.291) 3.393 22.645 ( -0.095 6.274 -1.217) 6.392 22.837 ( 0.711 -3.582 -0.208) 3.658 23.013 ( 2.655 1.402 -0.330) 3.021 23.081 ( 5.500 -0.850 -0.045) 5.565 23.343 ( 0.182 0.610 -1.256) 1.408 23.393 ( 1.822 -1.124 -0.365) 2.172 23.686 ( -3.031 3.834 1.252) 5.045 23.949 ( -2.410 -8.662 0.500) 9.005 24.492 ( -0.313 0.782 1.357) 1.597 24.547 ( 0.725 -1.205 1.024) 1.740 24.888 ( 0.602 2.820 -2.047) 3.536 24.956 ( -6.392 -0.912 -0.120) 6.458 ======================= Grid point 149 (79/90) ======================= q-point: ( 0.29 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( 12.491 5.935 2.715) 14.093 1.582 ( 12.880 -5.164 0.538) 13.887 1.891 ( 1.643 3.141 4.655) 5.851 1.951 ( 3.598 7.785 2.933) 9.064 2.077 ( 5.088 -3.950 -1.210) 6.554 2.163 ( 0.502 4.507 -1.116) 4.670 2.276 ( -1.461 -2.135 -1.983) 3.260 2.368 ( -0.556 -1.271 -4.643) 4.846 2.534 ( 1.952 8.202 -2.527) 8.802 2.698 ( 1.487 3.438 0.078) 3.746 2.776 ( 3.126 0.642 -3.309) 4.598 2.861 ( 2.309 4.651 2.867) 5.932 2.910 ( 4.347 -0.439 -2.475) 5.022 2.994 ( 3.463 2.173 0.344) 4.103 3.034 ( 1.063 1.534 -1.361) 2.310 3.099 ( 2.837 0.161 -0.668) 2.919 3.166 ( 0.967 -0.690 -2.575) 2.836 3.311 ( 0.757 5.675 -0.553) 5.752 3.359 ( 2.871 0.929 -3.060) 4.298 3.470 ( -1.195 1.288 -0.066) 1.758 3.536 ( 1.661 0.374 0.695) 1.839 3.603 ( 0.814 -2.346 2.792) 3.737 3.717 ( 1.308 -0.851 3.212) 3.571 3.786 ( -4.195 4.973 -0.375) 6.517 3.835 ( -4.575 4.146 2.850) 6.800 3.918 ( 3.065 6.425 2.588) 7.574 3.974 ( -2.011 -2.312 -1.508) 3.415 4.007 ( -3.059 -0.196 -0.395) 3.091 4.137 ( 0.100 -1.414 0.073) 1.419 4.220 ( -3.074 -2.095 -3.171) 4.888 4.323 ( 0.197 2.693 0.617) 2.770 4.386 ( 0.445 4.287 4.179) 6.004 4.504 ( -1.396 1.423 -0.109) 1.996 4.542 ( 0.502 -3.515 2.885) 4.575 4.637 ( 2.339 2.050 -0.387) 3.134 4.701 ( -0.527 -7.429 -4.096) 8.499 4.784 ( -0.828 1.368 -2.616) 3.066 4.867 ( 3.851 1.682 -0.722) 4.264 5.054 ( -0.267 8.265 3.123) 8.839 5.155 ( 0.567 1.125 3.238) 3.475 5.281 ( -3.745 -0.766 -2.729) 4.697 5.389 ( -3.622 -4.199 3.262) 6.434 5.528 ( -1.318 3.109 1.229) 3.594 5.616 ( -0.534 -0.325 0.666) 0.913 5.734 ( -5.431 4.605 -4.364) 8.352 6.018 ( -3.242 -7.026 -0.048) 7.738 6.157 ( 0.430 4.446 0.119) 4.468 6.427 ( 1.006 -2.792 0.311) 2.985 8.659 ( 3.693 0.798 1.019) 3.913 8.740 ( 3.091 -2.496 0.571) 4.014 8.947 ( 2.394 3.690 -0.847) 4.479 9.118 ( 4.009 -2.466 -0.466) 4.730 9.360 ( 0.745 2.573 0.514) 2.728 9.479 ( 1.410 -2.365 1.171) 2.992 9.991 ( -2.634 3.088 -0.417) 4.080 10.112 ( -2.606 -3.420 -1.159) 4.453 10.672 ( -2.847 4.365 -0.112) 5.213 10.797 ( 0.697 -1.160 0.672) 1.511 10.896 ( -0.313 5.391 -0.660) 5.440 11.116 ( -4.251 1.112 -1.028) 4.513 11.259 ( -5.570 -3.522 -1.513) 6.762 11.384 ( -0.844 -4.370 -2.538) 5.124 11.671 ( -3.804 6.346 0.347) 7.407 11.876 ( -0.988 1.959 0.920) 2.379 12.201 ( 3.156 1.917 0.477) 3.724 12.257 ( -0.918 -4.146 3.143) 5.283 12.589 ( 3.406 -0.735 0.213) 3.491 12.765 ( -1.637 -7.654 -0.560) 7.847 21.850 ( 0.199 0.111 0.810) 0.841 21.868 ( 0.327 -0.277 -0.186) 0.467 22.472 ( -0.690 3.114 -0.224) 3.197 22.490 ( -0.839 2.753 0.650) 2.951 22.642 ( -0.117 6.882 -1.270) 6.999 22.852 ( 0.711 -3.200 0.155) 3.282 23.078 ( 3.965 2.894 0.014) 4.909 23.192 ( 5.334 -0.398 -0.070) 5.349 23.361 ( 2.094 1.151 -2.040) 3.142 23.432 ( 2.247 -1.188 0.002) 2.542 23.608 ( -5.125 4.341 1.179) 6.819 23.901 ( -2.387 -7.218 0.242) 7.606 24.495 ( 0.252 -0.055 1.409) 1.432 24.545 ( -1.282 -1.883 1.572) 2.767 24.807 ( -7.338 3.213 -1.352) 8.124 24.914 ( 1.255 -1.472 -0.862) 2.118 ======================= Grid point 150 (80/90) ======================= q-point: ( 0.43 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( 9.144 4.938 1.714) 10.533 1.747 ( 3.820 -2.549 -0.408) 4.610 1.907 ( 1.477 4.325 2.579) 5.247 2.033 ( 4.105 3.933 0.528) 5.709 2.091 ( -1.741 1.075 -1.700) 2.660 2.173 ( -1.715 0.102 -3.312) 3.731 2.287 ( 3.516 -0.611 -2.142) 4.162 2.368 ( -0.441 -0.638 -3.178) 3.271 2.537 ( -1.652 8.900 -0.378) 9.060 2.725 ( 1.138 7.810 2.627) 8.318 2.823 ( 1.734 1.335 -2.334) 3.199 2.865 ( -1.085 3.573 -1.973) 4.223 2.953 ( -0.693 2.399 2.494) 3.529 2.998 ( -0.423 -1.524 -1.113) 1.934 3.097 ( 0.685 -0.250 0.216) 0.761 3.125 ( 4.236 4.932 0.030) 6.501 3.225 ( 2.806 -0.188 -1.855) 3.369 3.281 ( -1.666 5.723 -1.952) 6.272 3.381 ( -2.814 -0.822 -1.741) 3.409 3.492 ( 4.516 0.167 0.412) 4.538 3.559 ( 0.122 -3.232 0.761) 3.323 3.619 ( -0.558 -0.784 0.987) 1.378 3.682 ( -0.842 0.058 2.463) 2.603 3.761 ( -1.731 1.082 1.550) 2.563 3.773 ( -0.521 1.642 0.977) 1.980 3.925 ( -1.603 1.499 0.475) 2.246 3.987 ( 1.690 2.369 1.604) 3.322 4.008 ( 2.686 -2.237 -1.008) 3.638 4.134 ( -1.601 -2.970 2.092) 3.970 4.172 ( -1.879 1.187 -2.466) 3.320 4.319 ( 1.230 -0.934 -3.371) 3.708 4.392 ( -2.669 0.430 2.954) 4.005 4.492 ( 1.671 3.627 2.269) 4.593 4.563 ( 2.217 -0.483 4.089) 4.676 4.615 ( -3.169 -1.651 -2.511) 4.367 4.718 ( 1.523 -2.528 -2.742) 4.029 4.797 ( 1.991 4.542 1.522) 5.188 4.941 ( 1.114 4.812 -2.229) 5.419 5.059 ( 1.583 5.862 2.046) 6.407 5.150 ( -0.023 1.421 3.193) 3.495 5.224 ( -1.553 -1.843 -2.229) 3.283 5.305 ( -5.370 -4.353 2.835) 7.471 5.524 ( 0.538 2.970 1.056) 3.198 5.602 ( -0.483 5.540 -3.169) 6.401 5.654 ( -2.120 0.436 -3.273) 3.924 5.956 ( -2.743 -6.583 0.910) 7.190 6.172 ( 0.787 4.010 0.208) 4.092 6.440 ( 0.349 -2.527 0.425) 2.586 8.717 ( 2.174 0.006 1.018) 2.400 8.779 ( 0.788 -1.636 -0.099) 1.819 8.988 ( 1.449 3.914 -0.354) 4.189 9.169 ( 1.367 -2.422 -0.588) 2.842 9.395 ( 2.369 3.453 0.570) 4.226 9.488 ( -0.380 -0.354 0.541) 0.750 9.957 ( -0.821 2.756 -0.413) 2.905 10.078 ( -0.846 -5.135 -0.918) 5.284 10.623 ( -1.633 5.609 -0.762) 5.892 10.794 ( -0.672 -1.470 -0.313) 1.646 10.884 ( -0.570 3.574 -0.221) 3.626 11.079 ( 0.042 3.383 0.173) 3.387 11.168 ( -3.685 -5.048 -1.168) 6.358 11.379 ( -0.194 -6.042 -0.760) 6.093 11.605 ( -2.400 8.961 -0.144) 9.278 11.865 ( -0.176 2.045 0.266) 2.069 12.218 ( -1.257 1.127 5.652) 5.899 12.266 ( 1.693 -1.395 -1.221) 2.511 12.654 ( 3.205 -4.291 -0.390) 5.370 12.730 ( -1.959 -7.389 -1.291) 7.752 21.855 ( 0.178 0.131 0.771) 0.802 21.873 ( 0.222 -0.291 -0.373) 0.523 22.463 ( -0.245 2.719 0.205) 2.738 22.476 ( -0.446 2.575 0.184) 2.620 22.638 ( -0.223 7.334 -0.846) 7.386 22.860 ( 0.111 -3.190 0.788) 3.288 23.143 ( 2.402 2.897 1.298) 3.981 23.255 ( 1.539 2.515 -1.744) 3.426 23.408 ( 1.847 2.209 -1.326) 3.170 23.472 ( 1.375 -1.094 0.565) 1.846 23.516 ( -3.482 2.327 0.747) 4.254 23.871 ( -0.732 -6.694 -0.131) 6.735 24.490 ( -1.501 -1.744 1.486) 2.739 24.515 ( -0.163 -1.423 0.639) 1.569 24.715 ( -2.222 6.111 -1.384) 6.648 24.934 ( 0.685 -3.755 -0.444) 3.843 ======================= Grid point 151 (81/90) ======================= q-point: (-0.43 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.577 ( -7.980 5.067 -0.072) 9.453 1.770 ( -1.601 -3.334 -1.432) 3.965 1.940 ( 1.169 4.460 0.358) 4.625 2.054 ( -0.128 1.786 -2.643) 3.193 2.099 ( -0.447 4.277 -2.573) 5.011 2.149 ( 1.718 2.451 -0.651) 3.063 2.292 ( -4.004 0.637 -2.334) 4.678 2.345 ( -0.876 -0.852 -1.163) 1.687 2.526 ( 0.748 7.383 0.446) 7.434 2.696 ( -3.790 6.767 3.381) 8.461 2.805 ( -3.706 1.667 0.181) 4.068 2.843 ( 0.256 2.876 0.528) 2.936 2.961 ( -0.017 2.256 0.984) 2.462 3.019 ( 1.615 -2.836 -2.036) 3.847 3.063 ( -1.638 -0.645 1.764) 2.492 3.147 ( -4.706 4.668 -0.319) 6.636 3.222 ( -2.124 -0.052 -1.168) 2.424 3.286 ( 1.933 3.777 -2.849) 5.110 3.349 ( -0.019 1.372 0.748) 1.563 3.511 ( -3.723 0.845 -1.346) 4.048 3.560 ( 0.204 -2.457 0.893) 2.623 3.621 ( 3.093 0.514 0.697) 3.213 3.706 ( 1.059 -3.133 2.663) 4.246 3.751 ( 2.792 0.751 -1.820) 3.417 3.805 ( 2.357 2.612 0.405) 3.542 3.929 ( 1.636 1.018 0.757) 2.070 3.972 ( -3.581 0.420 0.471) 3.636 4.015 ( -1.927 2.084 0.534) 2.889 4.086 ( -1.153 -4.502 2.048) 5.078 4.185 ( -0.316 2.015 3.145) 3.748 4.262 ( -2.238 -0.652 -2.036) 3.095 4.432 ( 5.001 -0.740 0.397) 5.071 4.505 ( -1.135 4.762 0.865) 4.971 4.577 ( 0.730 -0.312 0.679) 1.045 4.631 ( 1.883 -2.778 1.249) 3.581 4.693 ( -2.410 -4.447 -3.611) 6.214 4.810 ( -2.654 9.087 -0.359) 9.473 4.954 ( 2.382 5.086 -0.847) 5.679 5.053 ( -1.905 5.592 0.246) 5.912 5.177 ( -2.021 -0.542 2.047) 2.927 5.207 ( 0.680 -1.902 -0.814) 2.178 5.277 ( 5.298 -5.157 4.767) 8.797 5.542 ( 1.794 5.885 -1.449) 6.321 5.596 ( -0.288 3.745 -2.342) 4.427 5.663 ( 2.639 0.311 -3.843) 4.673 5.937 ( 0.944 -6.118 2.848) 6.814 6.179 ( 0.000 3.122 -0.475) 3.158 6.441 ( -0.211 -2.736 0.323) 2.763 8.727 ( -1.543 -0.439 0.248) 1.623 8.773 ( -1.059 -1.413 0.313) 1.793 8.987 ( -1.477 3.972 -0.282) 4.247 9.174 ( -0.741 -2.540 -1.049) 2.846 9.398 ( -1.928 3.657 0.227) 4.140 9.499 ( 1.379 -0.502 -0.391) 1.519 9.959 ( 1.037 2.744 -0.635) 3.001 10.080 ( 1.117 -4.811 -1.162) 5.073 10.626 ( 2.028 5.980 -0.931) 6.383 10.791 ( 0.570 -1.302 -0.422) 1.483 10.887 ( 0.855 3.274 -0.204) 3.390 11.080 ( -0.693 5.520 -0.042) 5.564 11.148 ( 2.193 -7.369 0.772) 7.727 11.358 ( -1.677 -5.435 0.997) 5.775 11.608 ( 2.556 8.347 -0.392) 8.738 11.870 ( 0.772 1.872 -0.275) 2.044 12.189 ( -2.060 2.187 5.959) 6.674 12.287 ( 0.473 -2.066 -0.797) 2.264 12.667 ( -2.127 -4.040 -1.501) 4.806 12.728 ( 2.149 -7.784 -1.105) 8.151 21.857 ( -0.027 0.169 0.597) 0.621 21.875 ( -0.010 -0.267 -0.517) 0.582 22.459 ( -0.139 2.819 0.487) 2.865 22.480 ( 0.799 2.589 -0.050) 2.710 22.632 ( -0.352 7.295 -0.378) 7.313 22.856 ( -0.604 -3.542 1.200) 3.788 23.148 ( -2.158 2.512 1.004) 3.460 23.252 ( -1.557 2.668 -1.758) 3.554 23.383 ( -3.299 2.950 1.068) 4.553 23.477 ( -1.784 -1.122 0.118) 2.111 23.525 ( 4.283 1.879 -0.154) 4.679 23.873 ( 0.953 -6.769 -0.347) 6.845 24.486 ( 1.274 -0.734 1.422) 2.046 24.537 ( 2.007 -1.866 -0.660) 2.819 24.710 ( 1.755 6.046 -1.023) 6.378 24.934 ( -0.655 -3.931 -0.453) 4.010 ======================= Grid point 152 (82/90) ======================= q-point: (-0.29 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( -13.812 5.617 0.527) 14.920 1.639 ( -11.364 -6.536 -3.712) 13.625 1.927 ( -3.351 4.479 3.085) 6.389 2.014 ( -5.884 4.741 -2.883) 8.088 2.080 ( 0.687 4.920 -4.236) 6.529 2.183 ( 0.886 6.478 1.725) 6.762 2.254 ( 0.765 -2.746 -2.021) 3.495 2.327 ( -0.530 -1.120 -0.142) 1.247 2.504 ( -2.744 7.571 -1.942) 8.284 2.669 ( 0.427 2.104 1.382) 2.553 2.737 ( -3.380 0.622 1.324) 3.683 2.841 ( -0.779 2.680 2.815) 3.964 2.897 ( -5.584 0.607 0.844) 5.680 2.985 ( -5.195 2.084 0.459) 5.616 3.043 ( -3.220 -1.846 -0.895) 3.818 3.088 ( 0.992 -2.365 0.160) 2.569 3.146 ( -4.529 -2.534 -1.851) 5.510 3.297 ( -4.601 1.761 1.332) 5.103 3.350 ( 3.432 6.599 -1.737) 7.638 3.465 ( -0.968 1.202 -0.024) 1.543 3.554 ( -0.514 1.602 -0.779) 1.854 3.662 ( -0.895 -0.296 -2.150) 2.348 3.728 ( 0.008 -1.772 1.281) 2.187 3.808 ( 3.451 6.595 -0.669) 7.473 3.838 ( 0.893 2.746 3.560) 4.584 3.919 ( -0.024 1.280 -1.286) 1.815 3.967 ( 1.698 0.154 0.244) 1.722 4.001 ( 1.442 2.890 0.198) 3.236 4.084 ( 1.081 -3.678 4.768) 6.118 4.162 ( 1.877 1.205 1.133) 2.502 4.317 ( 4.341 1.839 0.546) 4.746 4.473 ( -1.538 4.151 -1.590) 4.703 4.498 ( 1.485 -0.653 0.841) 1.827 4.591 ( -1.248 -0.888 2.999) 3.368 4.626 ( -1.296 -4.397 -0.468) 4.608 4.660 ( -1.468 -2.891 -4.749) 5.751 4.761 ( -0.681 5.514 -1.181) 5.680 4.926 ( -3.917 2.323 -4.820) 6.631 5.038 ( -0.714 5.309 4.810) 7.200 5.208 ( 4.222 0.609 3.380) 5.443 5.220 ( 1.164 -2.631 -2.008) 3.509 5.371 ( 2.952 -2.159 3.011) 4.737 5.576 ( 0.672 2.529 -2.664) 3.734 5.631 ( 5.191 4.376 2.112) 7.110 5.709 ( 2.132 1.326 -4.292) 4.973 5.982 ( 2.909 -5.214 3.434) 6.888 6.178 ( 0.158 1.748 -1.735) 2.468 6.432 ( -0.860 -3.624 -0.027) 3.725 8.670 ( -4.026 0.481 0.096) 4.056 8.739 ( -2.689 -3.009 0.653) 4.087 8.945 ( -2.496 4.134 -0.698) 4.879 9.137 ( -3.041 -3.180 -2.031) 4.845 9.366 ( -1.152 3.333 -0.070) 3.527 9.501 ( -1.242 -2.533 -0.714) 2.910 9.994 ( 2.604 3.253 -0.747) 4.234 10.114 ( 2.478 -2.927 -1.392) 4.080 10.687 ( 3.871 5.189 -1.301) 6.604 10.799 ( -0.451 -0.195 -0.149) 0.513 10.897 ( -0.278 3.597 -0.372) 3.627 11.096 ( 3.573 3.116 0.568) 4.774 11.221 ( 4.883 -5.213 2.415) 7.540 11.347 ( 0.923 -4.211 0.483) 4.338 11.675 ( 3.926 5.958 -0.057) 7.136 11.892 ( 1.455 1.540 -0.643) 2.213 12.145 ( -2.926 3.476 5.272) 6.959 12.285 ( -0.528 -4.228 0.632) 4.307 12.619 ( -2.568 -1.241 -2.302) 3.665 12.765 ( 1.598 -7.944 -0.459) 8.117 21.854 ( -0.203 0.208 0.427) 0.517 21.872 ( -0.247 -0.228 -0.513) 0.613 22.462 ( 0.392 3.404 0.628) 3.484 22.501 ( 1.246 2.558 -0.209) 2.853 22.627 ( -0.069 6.954 -0.168) 6.956 22.842 ( -0.856 -3.944 1.079) 4.177 23.079 ( -4.437 2.861 -0.092) 5.280 23.192 ( -5.192 -0.963 -0.151) 5.283 23.332 ( -1.447 2.633 0.620) 3.068 23.430 ( -2.541 -1.137 0.145) 2.787 23.620 ( 5.101 3.163 0.019) 6.002 23.904 ( 2.212 -7.037 -0.008) 7.377 24.509 ( 0.688 0.541 0.220) 0.903 24.566 ( 0.514 -1.271 -0.150) 1.379 24.794 ( 6.754 3.216 -0.368) 7.490 24.917 ( -0.560 -2.031 -1.177) 2.414 ======================= Grid point 153 (83/90) ======================= q-point: (-0.14 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( -8.490 3.282 2.750) 9.508 1.391 ( -13.623 -7.237 -3.574) 15.834 1.828 ( -5.768 6.348 5.064) 9.960 1.914 ( -4.222 2.403 -4.478) 6.607 2.059 ( -2.647 6.733 -2.785) 7.752 2.217 ( 0.706 1.512 4.311) 4.623 2.258 ( 0.663 2.174 2.733) 3.555 2.331 ( 1.232 -1.234 -2.640) 3.163 2.483 ( 1.156 7.263 -5.085) 8.941 2.644 ( -3.762 -2.972 0.018) 4.794 2.689 ( -1.999 0.858 0.480) 2.227 2.783 ( -3.919 0.271 1.879) 4.355 2.826 ( -2.425 1.514 -0.182) 2.865 2.896 ( -2.978 -3.098 0.094) 4.298 3.014 ( -0.238 0.043 -0.113) 0.267 3.071 ( -0.977 1.292 -2.282) 2.798 3.108 ( -0.469 -1.935 0.754) 2.129 3.213 ( -3.711 2.869 0.279) 4.699 3.396 ( 1.234 6.677 -1.746) 7.011 3.470 ( 1.386 0.607 1.403) 2.063 3.528 ( -2.105 2.610 0.013) 3.353 3.618 ( -2.941 -0.566 -1.831) 3.511 3.689 ( -2.326 -0.509 -1.141) 2.640 3.808 ( -0.729 4.718 0.749) 4.832 3.905 ( 2.991 6.454 -0.688) 7.146 3.967 ( 4.122 5.985 2.278) 7.616 4.017 ( 2.790 -0.075 1.904) 3.379 4.067 ( 4.570 -0.185 2.753) 5.338 4.107 ( 1.266 2.064 0.191) 2.429 4.245 ( 5.205 1.082 3.015) 6.112 4.364 ( -0.604 2.797 -3.211) 4.301 4.457 ( -0.515 -0.186 -0.286) 0.617 4.506 ( -0.182 -1.494 0.558) 1.605 4.526 ( -2.334 1.279 -0.282) 2.677 4.589 ( -2.391 -2.295 -0.288) 3.327 4.641 ( -1.355 -1.454 -2.015) 2.831 4.784 ( 1.957 1.644 0.163) 2.561 4.868 ( -1.396 1.597 -5.038) 5.466 5.033 ( 0.098 5.424 5.794) 7.938 5.219 ( -0.512 -4.034 -0.144) 4.069 5.289 ( 3.169 -1.355 0.017) 3.447 5.401 ( 0.693 -1.136 2.897) 3.188 5.582 ( 0.261 1.705 -1.654) 2.390 5.699 ( 0.253 -1.135 -2.590) 2.839 5.769 ( 4.912 5.883 2.548) 8.076 6.027 ( 1.666 -2.202 2.403) 3.660 6.189 ( 0.982 -1.200 -2.400) 2.857 6.410 ( -1.337 -4.473 -0.583) 4.705 8.595 ( -3.511 1.060 0.236) 3.675 8.686 ( -2.528 -3.716 0.875) 4.579 8.908 ( -1.307 3.570 -0.806) 3.886 9.072 ( -3.376 -3.283 -3.332) 5.769 9.355 ( -0.097 2.048 0.792) 2.198 9.466 ( -2.072 -2.965 -0.658) 3.677 10.044 ( 2.387 3.578 -0.685) 4.355 10.164 ( 2.597 -2.103 -1.141) 3.531 10.729 ( -0.048 3.128 -2.354) 3.915 10.772 ( -1.752 0.272 0.247) 1.790 10.895 ( 0.745 7.343 -0.212) 7.383 11.201 ( 6.147 -2.158 1.090) 6.605 11.316 ( 4.657 -3.291 2.847) 6.373 11.383 ( 2.419 -3.049 -0.944) 4.005 11.736 ( 2.373 4.188 -0.417) 4.832 11.917 ( 0.993 0.131 -0.642) 1.190 12.094 ( -2.267 5.233 3.871) 6.893 12.271 ( -0.988 -6.003 1.905) 6.375 12.575 ( -1.965 1.946 -1.322) 3.066 12.786 ( 0.709 -7.399 -0.103) 7.434 21.850 ( -0.208 0.187 0.419) 0.504 21.867 ( -0.317 -0.190 -0.387) 0.535 22.473 ( 0.658 4.032 0.845) 4.172 22.520 ( 0.679 2.808 -0.634) 2.958 22.632 ( 0.560 6.560 -0.254) 6.588 22.829 ( -0.410 -4.125 0.531) 4.179 23.007 ( -2.777 1.544 0.139) 3.181 23.083 ( -5.416 -1.048 -0.215) 5.520 23.328 ( 0.597 1.073 0.072) 1.229 23.390 ( -1.666 -1.060 -0.089) 1.977 23.695 ( 2.670 2.947 0.346) 3.992 23.949 ( 2.270 -8.287 0.563) 8.611 24.512 ( -0.053 0.777 -0.286) 0.829 24.555 ( -1.458 -0.789 0.308) 1.686 24.871 ( 0.766 3.501 -0.543) 3.624 24.966 ( 5.371 -1.563 -1.073) 5.695 ======================= Grid point 154 (84/90) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( -0.424 -2.549 -0.434) 2.620 1.107 ( -0.424 2.549 -0.434) 2.620 1.850 ( -0.696 -2.689 -1.285) 3.061 1.850 ( -0.696 2.689 -1.285) 3.061 2.160 ( -2.173 -7.145 1.396) 7.598 2.160 ( -2.173 7.145 1.396) 7.598 2.321 ( -0.312 -4.862 0.465) 4.894 2.321 ( -0.312 4.862 0.465) 4.894 2.545 ( 1.799 -1.481 -1.408) 2.722 2.545 ( 1.799 1.481 -1.408) 2.722 2.736 ( 0.088 -5.873 -1.703) 6.116 2.736 ( 0.088 5.873 -1.703) 6.116 2.800 ( 1.365 -3.518 -1.210) 3.963 2.800 ( 1.365 3.518 -1.210) 3.963 3.044 ( 0.361 -1.571 0.552) 1.704 3.044 ( 0.361 1.571 0.552) 1.704 3.198 ( 1.236 -2.262 -2.448) 3.555 3.198 ( 1.236 2.262 -2.448) 3.555 3.470 ( -1.288 -1.633 0.584) 2.161 3.470 ( -1.288 1.633 0.584) 2.161 3.523 ( 0.048 -1.246 0.972) 1.581 3.523 ( 0.048 1.246 0.972) 1.581 3.802 ( -0.171 -6.190 2.113) 6.543 3.802 ( -0.171 6.190 2.113) 6.543 4.019 ( 1.625 -1.810 1.809) 3.031 4.019 ( 1.625 1.810 1.809) 3.031 4.121 ( -1.207 -0.992 -1.368) 2.077 4.121 ( -1.207 0.992 -1.368) 2.077 4.246 ( 0.225 -6.651 -0.887) 6.713 4.246 ( 0.225 6.651 -0.887) 6.713 4.389 ( -0.303 -5.092 3.172) 6.007 4.389 ( -0.303 5.092 3.172) 6.007 4.466 ( -1.225 -4.342 -2.264) 5.048 4.466 ( -1.225 4.342 -2.264) 5.048 4.603 ( 0.576 -0.930 -0.400) 1.165 4.603 ( 0.576 0.930 -0.400) 1.165 4.863 ( 0.205 -1.421 -2.503) 2.885 4.863 ( 0.205 1.421 -2.503) 2.885 5.136 ( 0.836 -3.000 2.967) 4.301 5.136 ( 0.836 3.000 2.967) 4.301 5.329 ( -0.881 -3.922 1.523) 4.299 5.329 ( -0.881 3.922 1.523) 4.299 5.631 ( -0.897 -2.872 -1.009) 3.174 5.631 ( -0.897 2.872 -1.009) 3.174 5.960 ( 0.694 -5.924 0.132) 5.966 5.960 ( 0.694 5.924 0.132) 5.966 6.271 ( 0.208 -6.753 0.048) 6.757 6.271 ( 0.208 6.753 0.048) 6.757 8.594 ( -0.001 -2.343 0.860) 2.496 8.594 ( -0.001 2.343 0.860) 2.496 8.966 ( -0.200 -3.094 -2.118) 3.755 8.966 ( -0.200 3.094 -2.118) 3.755 9.386 ( -0.428 -1.828 0.654) 1.988 9.386 ( -0.428 1.828 0.654) 1.988 10.139 ( -0.026 -2.926 -0.930) 3.071 10.139 ( -0.026 2.926 -0.930) 3.071 10.749 ( -0.430 -0.745 -0.699) 1.108 10.749 ( -0.430 0.745 -0.699) 1.108 11.102 ( 0.261 -8.909 0.204) 8.915 11.102 ( 0.261 8.909 0.204) 8.915 11.382 ( 1.254 -0.915 -0.789) 1.741 11.382 ( 1.254 0.915 -0.789) 1.741 11.841 ( -0.414 -4.805 0.035) 4.823 11.841 ( -0.414 4.805 0.035) 4.823 12.173 ( 0.008 -3.178 1.996) 3.753 12.173 ( 0.008 3.178 1.996) 3.753 12.653 ( -0.166 -6.023 0.220) 6.029 12.653 ( -0.166 6.023 0.220) 6.029 21.854 ( -0.128 -0.429 0.147) 0.471 21.854 ( -0.128 0.429 0.147) 0.471 22.548 ( -0.003 -1.128 -0.102) 1.133 22.548 ( -0.003 1.128 -0.102) 1.133 22.740 ( 0.307 -3.888 -0.090) 3.902 22.740 ( 0.307 3.888 -0.090) 3.902 23.007 ( 0.114 -1.113 -0.009) 1.119 23.007 ( 0.114 1.113 -0.009) 1.119 23.353 ( 0.170 -0.823 -0.523) 0.990 23.353 ( 0.170 0.823 -0.523) 0.990 23.810 ( -0.064 -5.897 0.843) 5.958 23.810 ( -0.064 5.897 0.843) 5.958 24.519 ( -0.476 -0.482 0.501) 0.843 24.519 ( -0.476 0.482 0.501) 0.843 24.967 ( 0.105 -3.181 -0.946) 3.320 24.967 ( 0.105 3.181 -0.946) 3.320 ======================= Grid point 156 (85/90) ======================= q-point: ( 0.14 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( 11.337 -3.382 0.058) 11.831 1.220 ( 11.337 3.382 0.058) 11.831 1.886 ( 3.841 -3.589 0.714) 5.305 1.886 ( 3.841 3.589 0.714) 5.305 2.135 ( -0.495 -9.138 2.443) 9.471 2.135 ( -0.495 9.138 2.443) 9.471 2.302 ( -0.873 -5.702 -0.978) 5.851 2.302 ( -0.873 5.702 -0.978) 5.851 2.617 ( 4.631 -2.479 -2.279) 5.726 2.617 ( 4.631 2.479 -2.279) 5.726 2.754 ( 2.194 -5.220 -0.772) 5.715 2.754 ( 2.194 5.220 -0.772) 5.715 2.864 ( 5.296 -3.764 -3.285) 7.280 2.864 ( 5.296 3.764 -3.285) 7.280 3.050 ( 0.559 -2.255 -0.258) 2.337 3.050 ( 0.559 2.255 -0.258) 2.337 3.236 ( 2.284 -3.286 -3.498) 5.315 3.236 ( 2.284 3.286 -3.498) 5.315 3.471 ( 0.496 -2.278 1.710) 2.891 3.471 ( 0.496 2.278 1.710) 2.891 3.516 ( 0.128 -2.139 1.494) 2.612 3.516 ( 0.128 2.139 1.494) 2.612 3.801 ( 0.020 -6.680 2.061) 6.991 3.801 ( 0.020 6.680 2.061) 6.991 3.994 ( -3.953 -2.297 -0.066) 4.572 3.994 ( -3.953 2.297 -0.066) 4.572 4.082 ( -3.220 -0.761 -0.055) 3.309 4.082 ( -3.220 0.761 -0.055) 3.309 4.195 ( -4.374 -7.119 -0.383) 8.364 4.195 ( -4.374 7.119 -0.383) 8.364 4.400 ( 0.817 -4.199 2.634) 5.024 4.400 ( 0.817 4.199 2.634) 5.024 4.453 ( 0.392 -5.403 0.025) 5.417 4.453 ( 0.392 5.403 0.025) 5.417 4.636 ( 2.517 -2.524 -1.795) 3.990 4.636 ( 2.517 2.524 -1.795) 3.990 4.848 ( -1.313 -0.640 -2.170) 2.616 4.848 ( -1.313 0.640 -2.170) 2.616 5.152 ( 0.678 -0.501 1.533) 1.749 5.152 ( 0.678 0.501 1.533) 1.749 5.326 ( 0.043 -3.264 3.234) 4.595 5.326 ( 0.043 3.264 3.234) 4.595 5.604 ( -1.769 -1.432 -0.102) 2.279 5.604 ( -1.769 1.432 -0.102) 2.279 5.938 ( -2.934 -5.833 -1.075) 6.617 5.938 ( -2.934 5.833 -1.075) 6.617 6.285 ( 1.118 -7.269 -0.151) 7.356 6.285 ( 1.118 7.269 -0.151) 7.356 8.624 ( 2.890 -2.187 0.805) 3.713 8.624 ( 2.890 2.187 0.805) 3.713 8.985 ( 2.320 -3.353 -1.610) 4.384 8.985 ( 2.320 3.353 -1.610) 4.384 9.391 ( 0.895 -2.089 1.175) 2.559 9.391 ( 0.895 2.089 1.175) 2.559 10.111 ( -2.706 -2.854 -0.869) 4.027 10.111 ( -2.706 2.854 -0.869) 4.027 10.752 ( 0.480 -1.519 0.143) 1.600 10.752 ( 0.480 1.519 0.143) 1.600 11.083 ( -2.088 -8.139 -0.135) 8.403 11.083 ( -2.088 8.139 -0.135) 8.403 11.358 ( -3.363 -1.654 -2.689) 4.613 11.358 ( -3.363 1.654 -2.689) 4.613 11.834 ( -0.471 -5.288 0.713) 5.356 11.834 ( -0.471 5.288 0.713) 5.356 12.186 ( 1.213 -2.317 1.941) 3.256 12.186 ( 1.213 2.317 1.941) 3.256 12.645 ( -0.618 -5.960 0.204) 5.995 12.645 ( -0.618 5.960 0.204) 5.995 21.854 ( 0.106 -0.457 0.312) 0.563 21.854 ( 0.106 0.457 0.312) 0.563 22.536 ( -1.092 -0.686 -0.030) 1.290 22.536 ( -1.092 0.686 -0.030) 1.290 22.748 ( 0.587 -4.300 -0.470) 4.366 22.748 ( 0.587 4.300 -0.470) 4.366 23.054 ( 4.482 -1.828 -0.171) 4.844 23.054 ( 4.482 1.828 -0.171) 4.844 23.365 ( 1.241 -1.378 -0.715) 1.987 23.365 ( 1.241 1.378 -0.715) 1.987 23.789 ( -2.158 -6.160 0.678) 6.562 23.789 ( -2.158 6.160 0.678) 6.562 24.517 ( 0.011 -1.422 1.279) 1.913 24.517 ( 0.011 1.422 1.279) 1.913 24.935 ( -3.114 -1.432 -1.022) 3.577 24.935 ( -3.114 1.432 -1.022) 3.577 ======================= Grid point 158 (86/90) ======================= q-point: ( 0.29 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( 13.503 -5.616 0.262) 14.627 1.467 ( 13.503 5.616 0.262) 14.627 1.957 ( 3.058 -3.797 1.788) 5.193 1.957 ( 3.058 3.797 1.788) 5.193 2.142 ( 0.770 -6.722 1.107) 6.856 2.142 ( 0.770 6.722 1.107) 6.856 2.296 ( 0.444 -4.774 -3.200) 5.765 2.296 ( 0.444 4.774 -3.200) 5.765 2.687 ( 2.914 -4.433 -2.316) 5.789 2.687 ( 2.914 4.433 -2.316) 5.789 2.818 ( 4.147 -4.405 0.739) 6.095 2.818 ( 4.147 4.405 0.739) 6.095 2.970 ( 4.953 -3.870 -3.664) 7.275 2.970 ( 4.953 3.870 -3.664) 7.275 3.064 ( 0.900 -3.313 -0.959) 3.564 3.064 ( 0.900 3.313 -0.959) 3.564 3.266 ( 1.267 -5.670 -2.295) 6.247 3.266 ( 1.267 5.670 -2.295) 6.247 3.464 ( 0.042 -1.112 1.478) 1.850 3.464 ( 0.042 1.112 1.478) 1.850 3.550 ( 1.461 -4.405 2.590) 5.315 3.550 ( 1.461 4.405 2.590) 5.315 3.781 ( -3.674 -7.417 -1.586) 8.427 3.781 ( -3.674 7.417 -1.586) 8.427 3.920 ( -2.462 -3.374 3.818) 5.659 3.920 ( -2.462 3.374 3.818) 5.659 3.994 ( -4.377 -2.997 -0.895) 5.379 3.994 ( -4.377 2.997 -0.895) 5.379 4.141 ( -0.717 -3.687 -1.106) 3.915 4.141 ( -0.717 3.687 -1.106) 3.915 4.404 ( -1.238 -4.633 -0.197) 4.799 4.404 ( -1.238 4.633 -0.197) 4.799 4.483 ( 2.474 -3.643 4.334) 6.178 4.483 ( 2.474 3.643 4.334) 6.178 4.667 ( 0.476 -0.802 -3.778) 3.891 4.667 ( 0.476 0.802 -3.778) 3.891 4.847 ( 2.252 -3.396 0.743) 4.142 4.847 ( 2.252 3.396 0.743) 4.142 5.164 ( 0.591 -1.350 0.661) 1.615 5.164 ( 0.591 1.350 0.661) 1.615 5.303 ( -3.260 -3.511 2.574) 5.438 5.303 ( -3.260 3.511 2.574) 5.438 5.578 ( -0.714 -2.194 0.157) 2.312 5.578 ( -0.714 2.194 0.157) 2.312 5.862 ( -4.594 -6.923 -1.688) 8.478 5.862 ( -4.594 6.923 -1.688) 8.478 6.306 ( 1.052 -7.758 -0.034) 7.829 6.306 ( 1.052 7.758 -0.034) 7.829 8.686 ( 3.291 -1.963 0.589) 3.877 8.686 ( 3.291 1.963 0.589) 3.877 9.042 ( 3.382 -4.390 -0.954) 5.623 9.042 ( 3.382 4.390 -0.954) 5.623 9.419 ( 1.960 -2.968 1.093) 3.721 9.419 ( 1.960 2.968 1.093) 3.721 10.052 ( -3.178 -2.630 -0.681) 4.181 10.052 ( -3.178 2.630 -0.681) 4.181 10.752 ( -0.691 -2.982 0.559) 3.112 10.752 ( -0.691 2.982 0.559) 3.112 11.036 ( -2.778 -6.911 -0.374) 7.458 11.036 ( -2.778 6.911 -0.374) 7.458 11.285 ( -3.496 -4.364 -2.900) 6.299 11.285 ( -3.496 4.364 -2.900) 6.299 11.818 ( -1.225 -6.408 0.655) 6.557 11.818 ( -1.225 6.408 0.655) 6.557 12.215 ( 1.626 -0.635 2.064) 2.703 12.215 ( 1.626 0.635 2.064) 2.703 12.634 ( -0.509 -4.522 -0.264) 4.558 12.634 ( -0.509 4.522 -0.264) 4.558 21.858 ( 0.254 -0.523 0.345) 0.676 21.858 ( 0.254 0.523 0.345) 0.676 22.514 ( -1.120 -0.583 0.042) 1.263 22.514 ( -1.120 0.583 0.042) 1.263 22.760 ( 0.580 -4.870 -0.406) 4.921 22.760 ( 0.580 4.870 -0.406) 4.921 23.151 ( 5.230 -3.211 -0.168) 6.139 23.151 ( 5.230 3.211 -0.168) 6.139 23.400 ( 2.540 -1.923 -0.605) 3.243 23.400 ( 2.540 1.923 -0.605) 3.243 23.734 ( -3.645 -7.455 -0.046) 8.299 23.734 ( -3.645 7.455 -0.046) 8.299 24.509 ( -1.030 -1.367 1.812) 2.492 24.509 ( -1.030 1.367 1.812) 2.492 24.874 ( -2.772 -2.579 -0.982) 3.912 24.874 ( -2.772 2.579 -0.982) 3.912 ======================= Grid point 160 (87/90) ======================= q-point: ( 0.43 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( 6.747 -4.470 0.098) 8.094 1.669 ( 6.747 4.470 0.098) 8.094 2.006 ( 2.688 -4.626 -1.034) 5.449 2.006 ( 2.688 4.626 -1.034) 5.449 2.138 ( -1.254 -2.502 0.226) 2.808 2.138 ( -1.254 2.502 0.226) 2.808 2.315 ( 1.177 -3.015 -4.058) 5.191 2.315 ( 1.177 3.015 -4.058) 5.191 2.728 ( 1.206 -6.573 0.081) 6.683 2.728 ( 1.206 6.573 0.081) 6.683 2.864 ( -0.174 -2.597 0.773) 2.715 2.864 ( -0.174 2.597 0.773) 2.715 3.010 ( 0.558 -1.692 -1.870) 2.583 3.010 ( 0.558 1.692 -1.870) 2.583 3.099 ( 1.856 -3.667 -0.742) 4.177 3.099 ( 1.856 3.667 -0.742) 4.177 3.288 ( 0.904 -5.526 -0.409) 5.614 3.288 ( 0.904 5.526 -0.409) 5.614 3.458 ( -2.007 -5.375 -0.001) 5.737 3.458 ( -2.007 5.375 -0.001) 5.737 3.562 ( 1.021 -4.416 2.588) 5.220 3.562 ( 1.021 4.416 2.588) 5.220 3.689 ( -2.992 -3.207 -1.723) 4.712 3.689 ( -2.992 3.207 -1.723) 4.712 3.903 ( -1.022 -6.649 -0.121) 6.728 3.903 ( -1.022 6.649 -0.121) 6.728 3.978 ( 1.672 -2.026 2.472) 3.607 3.978 ( 1.672 2.026 2.472) 3.607 4.148 ( 0.758 -4.153 -1.043) 4.348 4.148 ( 0.758 4.153 -1.043) 4.348 4.352 ( -3.092 -3.545 -0.311) 4.715 4.352 ( -3.092 3.545 -0.311) 4.715 4.540 ( 2.749 -2.558 4.047) 5.521 4.540 ( 2.749 2.558 4.047) 5.521 4.654 ( -1.311 -2.400 -2.926) 4.005 4.654 ( -1.311 2.400 -2.926) 4.005 4.937 ( 6.346 -5.580 2.695) 8.870 4.937 ( 6.346 5.580 2.695) 8.870 5.166 ( -0.995 -3.040 0.196) 3.205 5.166 ( -0.995 3.041 0.196) 3.205 5.211 ( -5.343 -3.238 0.270) 6.253 5.211 ( -5.343 3.238 0.270) 6.253 5.582 ( 1.062 -3.022 -0.947) 3.340 5.582 ( 1.062 3.022 -0.947) 3.340 5.787 ( -2.858 -8.309 -0.630) 8.809 5.787 ( -2.858 8.309 -0.630) 8.809 6.320 ( 0.365 -7.857 0.154) 7.867 6.320 ( 0.365 7.857 0.154) 7.867 8.733 ( 1.445 -1.645 0.304) 2.210 8.733 ( 1.445 1.645 0.304) 2.210 9.091 ( 1.535 -4.680 -0.503) 4.951 9.091 ( 1.535 4.680 -0.503) 4.951 9.456 ( 1.581 -2.365 0.445) 2.880 9.456 ( 1.581 2.365 0.445) 2.880 10.006 ( -1.345 -2.231 -0.554) 2.663 10.006 ( -1.345 2.231 -0.554) 2.663 10.737 ( -0.498 -4.142 0.055) 4.172 10.737 ( -0.498 4.142 0.055) 4.172 10.989 ( -1.747 -6.511 -0.443) 6.756 10.989 ( -1.747 6.511 -0.443) 6.756 11.239 ( -1.461 -6.722 -1.346) 7.009 11.239 ( -1.461 6.722 -1.346) 7.009 11.797 ( -0.807 -7.745 0.442) 7.800 11.797 ( -0.807 7.745 0.442) 7.800 12.240 ( 0.746 -1.435 2.129) 2.674 12.240 ( 0.746 1.435 2.129) 2.674 12.628 ( -0.035 -1.997 -0.838) 2.166 12.628 ( -0.035 1.997 -0.838) 2.166 21.862 ( 0.210 -0.555 0.222) 0.634 21.862 ( 0.210 0.555 0.222) 0.634 22.499 ( -0.438 -0.464 0.056) 0.641 22.499 ( -0.438 0.464 0.056) 0.641 22.766 ( -0.004 -5.178 0.103) 5.179 22.766 ( -0.004 5.178 0.103) 5.179 23.223 ( 2.034 -3.869 0.066) 4.372 23.223 ( 2.034 3.869 0.066) 4.372 23.455 ( 2.658 -0.979 0.013) 2.832 23.455 ( 2.658 0.979 0.013) 2.832 23.664 ( -3.026 -10.679 -1.167) 11.160 23.664 ( -3.026 10.679 -1.167) 11.160 24.490 ( -0.602 -1.192 1.480) 1.993 24.490 ( -0.602 1.192 1.480) 1.993 24.841 ( -0.841 -5.261 -0.662) 5.369 24.841 ( -0.841 5.261 -0.662) 5.369 ======================= Grid point 162 (88/90) ======================= q-point: (-0.43 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.682 ( -5.468 -4.601 -1.010) 7.218 1.682 ( -5.468 4.601 -1.010) 7.218 2.044 ( 0.276 -4.857 -4.805) 6.838 2.044 ( 0.276 4.857 -4.805) 6.838 2.138 ( 2.511 -3.227 0.466) 4.115 2.138 ( 2.511 3.227 0.466) 4.115 2.310 ( -1.616 -2.158 -3.683) 4.564 2.310 ( -1.616 2.158 -3.683) 4.565 2.700 ( -3.908 -5.599 2.606) 7.308 2.700 ( -3.908 5.599 2.606) 7.308 2.865 ( 0.651 -2.457 1.008) 2.735 2.865 ( 0.651 2.457 1.008) 2.735 2.986 ( -3.491 -2.040 0.128) 4.045 2.986 ( -3.491 2.040 0.128) 4.045 3.091 ( -2.756 -4.908 0.119) 5.630 3.091 ( -2.756 4.908 0.119) 5.630 3.276 ( -1.759 -4.369 0.509) 4.738 3.276 ( -1.759 4.369 0.509) 4.738 3.450 ( 1.276 -7.222 0.243) 7.338 3.450 ( 1.276 7.222 0.243) 7.338 3.588 ( 1.539 -2.328 0.277) 2.805 3.588 ( 1.539 2.328 0.277) 2.805 3.696 ( 2.905 -4.105 -1.398) 5.219 3.696 ( 2.905 4.105 -1.398) 5.219 3.896 ( 0.754 -5.238 -0.463) 5.312 3.896 ( 0.754 5.238 -0.463) 5.312 3.988 ( -0.676 -1.698 1.781) 2.552 3.988 ( -0.676 1.698 1.781) 2.552 4.143 ( -1.255 -5.835 -0.336) 5.978 4.143 ( -1.255 5.835 -0.336) 5.978 4.341 ( 1.741 -5.550 0.700) 5.859 4.341 ( 1.741 5.550 0.700) 5.859 4.567 ( 0.275 -2.313 3.365) 4.092 4.567 ( 0.275 2.313 3.365) 4.092 4.630 ( -1.132 -2.318 -2.875) 3.863 4.630 ( -1.132 2.318 -2.875) 3.863 4.990 ( -3.433 -5.362 -1.319) 6.502 4.990 ( -3.433 5.362 -1.319) 6.502 5.143 ( 0.505 -3.271 1.841) 3.788 5.143 ( 0.505 3.271 1.841) 3.788 5.187 ( 3.469 -2.160 2.114) 4.601 5.187 ( 3.469 2.160 2.114) 4.601 5.605 ( 1.110 -2.847 -3.053) 4.320 5.605 ( 1.110 2.847 -3.053) 4.320 5.772 ( 1.527 -8.452 0.908) 8.637 5.772 ( 1.527 8.452 0.908) 8.637 6.319 ( -0.550 -7.867 0.299) 7.892 6.319 ( -0.550 7.867 0.299) 7.892 8.734 ( -1.414 -1.281 0.237) 1.922 8.734 ( -1.414 1.281 0.237) 1.922 9.093 ( -1.276 -4.849 -0.655) 5.057 9.093 ( -1.276 4.850 -0.655) 5.057 9.464 ( -0.802 -2.532 -0.235) 2.666 9.464 ( -0.802 2.532 -0.235) 2.666 10.010 ( 1.719 -2.363 -0.887) 3.054 10.010 ( 1.719 2.363 -0.887) 3.054 10.743 ( 1.222 -3.805 -0.487) 4.026 10.743 ( 1.222 3.805 -0.487) 4.026 10.985 ( 1.289 -6.659 -0.106) 6.783 10.985 ( 1.289 6.659 -0.106) 6.783 11.221 ( -0.317 -6.924 0.228) 6.935 11.221 ( -0.317 6.924 0.228) 6.935 11.796 ( 0.803 -7.903 0.446) 7.956 11.796 ( 0.803 7.903 0.446) 7.956 12.240 ( -0.765 -2.658 2.036) 3.435 12.240 ( -0.765 2.658 2.036) 3.435 12.631 ( 0.409 -1.225 -1.114) 1.706 12.631 ( 0.409 1.225 -1.114) 1.706 21.865 ( 0.008 -0.554 0.032) 0.555 21.865 ( 0.008 0.555 0.032) 0.555 22.499 ( 0.451 -0.684 0.041) 0.820 22.499 ( 0.451 0.684 0.041) 0.820 22.760 ( -0.633 -5.144 0.638) 5.222 22.760 ( -0.633 5.144 0.638) 5.222 23.221 ( -2.232 -3.651 0.228) 4.285 23.221 ( -2.232 3.651 0.228) 4.285 23.452 ( -2.939 -1.709 0.232) 3.408 23.452 ( -2.939 1.709 0.232) 3.408 23.664 ( 3.111 -10.647 -1.143) 11.151 23.664 ( 3.111 10.647 -1.143) 11.151 24.501 ( 1.702 -1.642 0.480) 2.413 24.501 ( 1.702 1.642 0.480) 2.413 24.837 ( 0.497 -5.425 -0.363) 5.459 24.837 ( 0.497 5.425 -0.363) 5.459 ======================= Grid point 164 (89/90) ======================= q-point: (-0.29 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( -13.521 -6.830 -1.831) 15.258 1.492 ( -13.521 6.830 -1.831) 15.258 2.008 ( -3.860 -3.556 -3.271) 6.184 2.008 ( -3.860 3.556 -3.271) 6.184 2.193 ( 1.934 -3.540 -1.752) 4.398 2.193 ( 1.934 3.540 -1.752) 4.398 2.281 ( -0.288 -2.970 -2.948) 4.195 2.281 ( -0.288 2.970 -2.948) 4.195 2.633 ( -2.982 -4.321 2.222) 5.701 2.633 ( -2.982 4.321 2.222) 5.701 2.817 ( -5.539 -4.665 1.299) 7.357 2.817 ( -5.539 4.665 1.299) 7.357 2.923 ( -3.954 -3.377 0.659) 5.241 2.923 ( -3.954 3.377 0.659) 5.241 3.035 ( -1.555 -1.830 1.376) 2.768 3.035 ( -1.555 1.830 1.376) 2.768 3.240 ( -2.213 -6.250 -0.214) 6.634 3.240 ( -2.213 6.250 -0.214) 6.634 3.461 ( 0.212 -3.448 2.147) 4.067 3.461 ( 0.212 3.448 2.147) 4.067 3.606 ( -0.761 -4.911 -2.090) 5.391 3.606 ( -0.761 4.911 -2.090) 5.391 3.757 ( 2.810 -6.368 -0.239) 6.965 3.757 ( 2.810 6.368 -0.239) 6.965 3.930 ( 1.970 -1.466 2.630) 3.598 3.930 ( 1.970 1.466 2.630) 3.598 4.011 ( 4.698 -4.808 -1.584) 6.906 4.011 ( 4.698 4.808 -1.584) 6.906 4.127 ( 0.381 -5.473 -0.168) 5.488 4.127 ( 0.381 5.473 -0.168) 5.488 4.376 ( 1.504 -5.911 2.371) 6.544 4.376 ( 1.504 5.911 2.371) 6.544 4.575 ( -0.733 -1.765 1.166) 2.239 4.575 ( -0.733 1.765 1.166) 2.239 4.598 ( -1.138 -2.162 -2.775) 3.697 4.598 ( -1.138 2.162 -2.775) 3.697 4.901 ( -4.136 -5.194 -3.631) 7.567 4.901 ( -4.136 5.194 -3.631) 7.567 5.134 ( -0.799 -3.931 3.140) 5.094 5.134 ( -0.799 3.931 3.140) 5.094 5.295 ( 4.998 -4.702 2.888) 7.445 5.295 ( 4.998 4.702 2.888) 7.445 5.620 ( 0.846 -2.767 -3.005) 4.171 5.620 ( 0.846 2.767 -3.005) 4.171 5.834 ( 4.398 -7.706 0.775) 8.906 5.834 ( 4.398 7.706 0.775) 8.906 6.301 ( -1.235 -7.737 0.432) 7.847 6.301 ( -1.235 7.737 0.432) 7.847 8.686 ( -3.385 -1.508 0.527) 3.743 8.686 ( -3.385 1.508 0.527) 3.743 9.049 ( -3.072 -4.836 -1.488) 5.919 9.049 ( -3.072 4.836 -1.488) 5.919 9.436 ( -1.814 -3.296 -0.437) 3.787 9.436 ( -1.814 3.296 -0.437) 3.787 10.058 ( 3.104 -2.708 -1.184) 4.286 10.058 ( 3.104 2.708 -1.184) 4.286 10.771 ( 1.120 -2.436 -1.082) 2.891 10.771 ( 1.120 2.436 -1.082) 2.891 11.023 ( 2.466 -7.372 0.730) 7.808 11.023 ( 2.466 7.372 0.730) 7.808 11.243 ( 2.934 -5.076 0.816) 5.920 11.243 ( 2.934 5.076 0.816) 5.920 11.821 ( 1.557 -6.759 0.317) 6.943 11.821 ( 1.557 6.759 0.317) 6.943 12.216 ( -1.782 -3.229 1.934) 4.165 12.216 ( -1.782 3.229 1.934) 4.165 12.641 ( 0.592 -3.490 -0.868) 3.644 12.641 ( 0.592 3.490 -0.868) 3.644 21.863 ( -0.204 -0.533 -0.082) 0.577 21.863 ( -0.204 0.533 -0.082) 0.577 22.515 ( 1.124 -1.161 0.001) 1.616 22.515 ( 1.124 1.161 0.001) 1.616 22.746 ( -0.711 -4.789 0.772) 4.902 22.746 ( -0.711 4.789 0.772) 4.902 23.147 ( -5.251 -3.057 0.133) 6.078 23.147 ( -5.251 3.057 0.133) 6.078 23.393 ( -2.619 -2.479 0.003) 3.606 23.393 ( -2.619 2.479 0.003) 3.606 23.735 ( 3.699 -7.497 -0.126) 8.361 23.735 ( 3.699 7.497 -0.126) 8.361 24.533 ( 1.064 -1.606 -0.225) 1.939 24.533 ( 1.064 1.606 -0.225) 1.939 24.867 ( 2.853 -3.025 -0.409) 4.178 24.867 ( 2.853 3.025 -0.409) 4.178 ======================= Grid point 166 (90/90) ======================= q-point: (-0.14 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( -12.069 -6.408 -1.271) 13.724 1.236 ( -12.069 6.408 -1.271) 13.724 1.912 ( -5.235 -2.189 -2.286) 6.118 1.912 ( -5.235 2.189 -2.286) 6.118 2.199 ( -1.227 -4.344 -1.282) 4.693 2.199 ( -1.227 4.344 -1.282) 4.693 2.298 ( 1.853 -2.369 -1.485) 3.355 2.298 ( 1.853 2.369 -1.485) 3.355 2.574 ( -3.640 -1.906 1.052) 4.242 2.574 ( -3.640 1.906 1.052) 4.242 2.741 ( -1.468 -4.936 0.203) 5.154 2.741 ( -1.468 4.936 0.203) 5.154 2.832 ( -4.371 -0.654 -0.340) 4.432 2.832 ( -4.371 0.654 -0.340) 4.432 3.033 ( 0.541 -2.101 1.527) 2.653 3.033 ( 0.541 2.101 1.527) 2.653 3.203 ( -1.418 -4.831 -0.844) 5.105 3.203 ( -1.418 4.831 -0.844) 5.105 3.478 ( 1.163 -2.179 2.387) 3.434 3.478 ( 1.163 2.179 2.387) 3.434 3.551 ( -3.681 -3.164 -2.428) 5.427 3.551 ( -3.681 3.164 -2.428) 5.427 3.795 ( 1.117 -6.531 1.688) 6.838 3.795 ( 1.117 6.531 1.688) 6.838 3.970 ( 2.602 -2.232 2.245) 4.098 3.970 ( 2.602 2.232 2.245) 4.098 4.103 ( 3.346 -1.342 -2.548) 4.414 4.103 ( 3.346 1.342 -2.548) 4.414 4.185 ( 5.116 -8.307 1.274) 9.839 4.185 ( 5.116 8.307 1.274) 9.839 4.393 ( 0.169 -5.229 1.368) 5.407 4.393 ( 0.169 5.229 1.368) 5.407 4.516 ( -3.746 -1.940 -1.896) 4.625 4.516 ( -3.746 1.940 -1.896) 4.625 4.602 ( 0.089 -3.155 -0.322) 3.173 4.602 ( 0.089 3.155 -0.322) 3.173 4.857 ( -0.353 -3.007 -2.754) 4.093 4.857 ( -0.353 3.007 -2.754) 4.093 5.126 ( -0.065 -3.870 3.643) 5.315 5.126 ( -0.065 3.870 3.643) 5.315 5.343 ( 0.209 -4.002 1.094) 4.154 5.343 ( 0.209 4.002 1.094) 4.154 5.634 ( 0.598 -3.740 -1.919) 4.246 5.634 ( 0.598 3.740 -1.919) 4.246 5.915 ( 3.791 -6.823 0.667) 7.834 5.915 ( 3.791 6.823 0.667) 7.834 6.279 ( -0.985 -7.142 0.374) 7.220 6.279 ( -0.985 7.142 0.374) 7.220 8.623 ( -2.925 -2.012 0.794) 3.638 8.623 ( -2.925 2.012 0.794) 3.638 8.993 ( -2.460 -4.044 -2.155) 5.201 8.993 ( -2.460 4.044 -2.155) 5.201 9.404 ( -1.457 -2.651 -0.045) 3.025 9.404 ( -1.457 2.651 -0.045) 3.025 10.113 ( 2.581 -2.830 -1.090) 3.982 10.113 ( 2.581 2.830 -1.090) 3.982 10.768 ( -1.135 -0.808 -1.230) 1.859 10.768 ( -1.135 0.808 -1.230) 1.859 11.073 ( 2.577 -8.430 0.763) 8.848 11.073 ( 2.577 8.430 0.763) 8.848 11.320 ( 4.598 -2.490 0.620) 5.266 11.320 ( 4.598 2.490 0.620) 5.266 11.843 ( 0.498 -5.437 -0.149) 5.461 11.843 ( 0.498 5.437 -0.149) 5.461 12.185 ( -1.385 -3.448 2.002) 4.221 12.185 ( -1.385 3.448 2.002) 4.221 12.650 ( 0.396 -5.106 -0.263) 5.128 12.650 ( 0.396 5.106 -0.263) 5.128 21.858 ( -0.267 -0.477 -0.030) 0.547 21.858 ( -0.267 0.477 -0.030) 0.547 22.537 ( 1.079 -1.397 -0.065) 1.766 22.537 ( 1.079 1.397 -0.065) 1.766 22.738 ( -0.149 -4.214 0.429) 4.239 22.738 ( -0.149 4.214 0.429) 4.239 23.050 ( -4.382 -1.997 0.097) 4.817 23.050 ( -4.382 1.997 0.097) 4.817 23.360 ( -1.004 -1.682 -0.223) 1.972 23.360 ( -1.004 1.682 -0.223) 1.972 23.790 ( 2.093 -6.110 0.547) 6.482 23.790 ( 2.093 6.110 0.547) 6.482 24.533 ( -0.796 -1.149 -0.092) 1.401 24.533 ( -0.796 1.149 -0.092) 1.401 24.932 ( 3.397 -2.059 -0.742) 4.041 24.932 ( 3.397 2.059 -0.742) 4.041 =================== 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 3/23520 10.0 71.797 58.868 64.115 0.000 -9.007 0.000 3/23520 20.0 11.496 10.930 10.121 0.000 -0.437 0.000 3/23520 30.0 4.424 4.759 4.006 0.000 -0.129 0.000 3/23520 40.0 2.490 2.882 2.301 0.000 -0.067 0.000 3/23520 50.0 1.701 2.058 1.595 0.000 -0.042 0.000 3/23520 60.0 1.296 1.613 1.227 0.000 -0.028 0.000 3/23520 70.0 1.054 1.337 1.005 0.000 -0.020 0.000 3/23520 80.0 0.894 1.152 0.857 0.000 -0.015 0.000 3/23520 90.0 0.782 1.019 0.751 0.000 -0.011 0.000 3/23520 100.0 0.698 0.919 0.672 0.000 -0.009 0.000 3/23520 110.0 0.633 0.842 0.610 0.000 -0.007 0.000 3/23520 120.0 0.581 0.780 0.560 0.000 -0.006 0.000 3/23520 130.0 0.539 0.730 0.519 0.000 -0.005 0.000 3/23520 140.0 0.504 0.688 0.484 0.000 -0.004 0.000 3/23520 150.0 0.474 0.652 0.455 0.000 -0.004 0.000 3/23520 160.0 0.448 0.621 0.429 0.000 -0.004 0.000 3/23520 170.0 0.425 0.594 0.407 0.000 -0.003 0.000 3/23520 180.0 0.405 0.570 0.387 0.000 -0.003 0.000 3/23520 190.0 0.388 0.549 0.370 0.000 -0.003 0.000 3/23520 200.0 0.372 0.530 0.354 0.000 -0.002 0.000 3/23520 210.0 0.358 0.512 0.340 0.000 -0.002 0.000 3/23520 220.0 0.345 0.496 0.327 0.000 -0.002 0.000 3/23520 230.0 0.333 0.481 0.315 0.000 -0.002 0.000 3/23520 240.0 0.322 0.468 0.304 0.000 -0.002 0.000 3/23520 250.0 0.312 0.455 0.294 0.000 -0.002 0.000 3/23520 260.0 0.303 0.443 0.284 0.000 -0.002 0.000 3/23520 270.0 0.294 0.432 0.276 0.000 -0.001 0.000 3/23520 280.0 0.286 0.421 0.267 0.000 -0.001 0.000 3/23520 290.0 0.278 0.411 0.260 0.000 -0.001 0.000 3/23520 300.0 0.271 0.402 0.253 0.000 -0.001 0.000 3/23520 310.0 0.264 0.393 0.246 0.000 -0.001 0.000 3/23520 320.0 0.258 0.384 0.239 0.000 -0.001 0.000 3/23520 330.0 0.252 0.376 0.233 0.000 -0.001 0.000 3/23520 340.0 0.246 0.368 0.228 0.000 -0.001 0.000 3/23520 350.0 0.241 0.360 0.222 0.000 -0.001 0.000 3/23520 360.0 0.236 0.353 0.217 0.000 -0.001 0.000 3/23520 370.0 0.231 0.346 0.212 0.000 -0.001 0.000 3/23520 380.0 0.226 0.339 0.207 0.000 -0.001 0.000 3/23520 390.0 0.221 0.333 0.203 0.000 -0.001 0.000 3/23520 400.0 0.217 0.326 0.199 0.000 -0.001 0.000 3/23520 410.0 0.212 0.320 0.194 0.000 -0.001 0.000 3/23520 420.0 0.208 0.314 0.190 0.000 -0.001 0.000 3/23520 430.0 0.204 0.309 0.187 0.000 -0.001 0.000 3/23520 440.0 0.201 0.303 0.183 0.000 -0.001 0.000 3/23520 450.0 0.197 0.298 0.179 0.000 -0.000 0.000 3/23520 460.0 0.194 0.293 0.176 0.000 -0.000 0.000 3/23520 470.0 0.190 0.288 0.173 0.000 -0.000 0.000 3/23520 480.0 0.187 0.283 0.170 0.000 -0.000 0.000 3/23520 490.0 0.184 0.279 0.167 0.000 -0.000 0.000 3/23520 500.0 0.181 0.274 0.164 0.000 -0.000 0.000 3/23520 510.0 0.178 0.270 0.161 0.000 -0.000 0.000 3/23520 520.0 0.175 0.265 0.158 0.000 -0.000 0.000 3/23520 530.0 0.172 0.261 0.155 0.000 -0.000 0.000 3/23520 540.0 0.169 0.257 0.153 0.000 -0.000 0.000 3/23520 550.0 0.167 0.253 0.150 0.000 -0.000 0.000 3/23520 560.0 0.164 0.250 0.148 0.000 -0.000 0.000 3/23520 570.0 0.162 0.246 0.146 0.000 -0.000 0.000 3/23520 580.0 0.159 0.242 0.143 0.000 -0.000 0.000 3/23520 590.0 0.157 0.239 0.141 0.000 -0.000 0.000 3/23520 600.0 0.155 0.236 0.139 0.000 -0.000 0.000 3/23520 610.0 0.152 0.232 0.137 0.000 -0.000 0.000 3/23520 620.0 0.150 0.229 0.135 0.000 -0.000 0.000 3/23520 630.0 0.148 0.226 0.133 0.000 -0.000 0.000 3/23520 640.0 0.146 0.223 0.131 0.000 -0.000 0.000 3/23520 650.0 0.144 0.220 0.129 0.000 -0.000 0.000 3/23520 660.0 0.142 0.217 0.128 0.000 -0.000 0.000 3/23520 670.0 0.140 0.214 0.126 0.000 -0.000 0.000 3/23520 680.0 0.139 0.211 0.124 0.000 -0.000 0.000 3/23520 690.0 0.137 0.209 0.122 0.000 -0.000 0.000 3/23520 700.0 0.135 0.206 0.121 0.000 -0.000 0.000 3/23520 710.0 0.133 0.203 0.119 0.000 -0.000 0.000 3/23520 720.0 0.132 0.201 0.118 0.000 -0.000 0.000 3/23520 730.0 0.130 0.199 0.116 0.000 -0.000 0.000 3/23520 740.0 0.128 0.196 0.115 0.000 -0.000 0.000 3/23520 750.0 0.127 0.194 0.113 0.000 -0.000 0.000 3/23520 760.0 0.125 0.192 0.112 0.000 -0.000 0.000 3/23520 770.0 0.124 0.189 0.111 0.000 -0.000 0.000 3/23520 780.0 0.123 0.187 0.109 0.000 -0.000 0.000 3/23520 790.0 0.121 0.185 0.108 0.000 -0.000 0.000 3/23520 800.0 0.120 0.183 0.107 0.000 -0.000 0.000 3/23520 810.0 0.118 0.181 0.106 0.000 -0.000 0.000 3/23520 820.0 0.117 0.179 0.104 0.000 -0.000 0.000 3/23520 830.0 0.116 0.177 0.103 0.000 -0.000 0.000 3/23520 840.0 0.114 0.175 0.102 0.000 -0.000 0.000 3/23520 850.0 0.113 0.173 0.101 0.000 -0.000 0.000 3/23520 860.0 0.112 0.171 0.100 0.000 -0.000 0.000 3/23520 870.0 0.111 0.169 0.099 0.000 -0.000 0.000 3/23520 880.0 0.110 0.168 0.098 0.000 -0.000 0.000 3/23520 890.0 0.109 0.166 0.097 0.000 -0.000 0.000 3/23520 900.0 0.107 0.164 0.096 0.000 -0.000 0.000 3/23520 910.0 0.106 0.163 0.095 0.000 -0.000 0.000 3/23520 920.0 0.105 0.161 0.094 0.000 -0.000 0.000 3/23520 930.0 0.104 0.159 0.093 0.000 -0.000 0.000 3/23520 940.0 0.103 0.158 0.092 0.000 -0.000 0.000 3/23520 950.0 0.102 0.156 0.091 0.000 -0.000 0.000 3/23520 960.0 0.101 0.155 0.090 0.000 -0.000 0.000 3/23520 970.0 0.100 0.153 0.089 0.000 -0.000 0.000 3/23520 980.0 0.099 0.152 0.088 0.000 -0.000 0.000 3/23520 990.0 0.098 0.150 0.087 0.000 -0.000 0.000 3/23520 1000.0 0.097 0.149 0.086 0.000 -0.000 0.000 3/23520 Thermal conductivity related properties were written into "kappa-m785.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 04:44:15]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|