----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:29:20]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.359295740060524 0.000000000000000 0.000000000000000 b 0.000000000000000 8.976702419999999 0.000000000000000 c -0.739412798088655 0.000000000000000 10.658189656356747 Atomic positions (fractional): *1 O 0.34979197187427 0.25594504662315 0.92467246578273 15.999 2 O 0.65020802812573 0.75594504662315 0.57532753421727 15.999 3 O 0.65020802812573 0.74405495337685 0.07532753421727 15.999 4 O 0.34979197187427 0.24405495337685 0.42467246578273 15.999 *5 O 0.21841382276969 0.41867833613100 0.70080635637718 15.999 6 O 0.78158617723031 0.91867833613100 0.79919364362282 15.999 7 O 0.78158617723031 0.58132166386900 0.29919364362282 15.999 8 O 0.21841382276969 0.08132166386900 0.20080635637718 15.999 *9 O 0.28371955496843 0.93415893653561 0.95718124387097 15.999 10 O 0.71628044503157 0.43415893653561 0.54281875612903 15.999 11 O 0.71628044503157 0.06584106346439 0.04281875612903 15.999 12 O 0.28371955496843 0.56584106346439 0.45718124387097 15.999 *13 O 0.72645905412925 0.25007698692669 0.79153427050212 15.999 14 O 0.27354094587075 0.75007698692669 0.70846572949788 15.999 15 O 0.27354094587075 0.74992301307331 0.20846572949788 15.999 16 O 0.72645905412925 0.24992301307331 0.29153427050212 15.999 *17 O 0.14461874423764 0.05771944025414 0.71413013128077 15.999 18 O 0.85538125576236 0.55771944025414 0.78586986871923 15.999 19 O 0.85538125576236 0.94228055974586 0.28586986871923 15.999 20 O 0.14461874423764 0.44228055974586 0.21413013128077 15.999 *21 O 0.52242467635797 0.51328368186435 0.81906743351403 15.999 22 O 0.47757532364203 0.01328368186435 0.68093256648597 15.999 23 O 0.47757532364203 0.48671631813565 0.18093256648597 15.999 24 O 0.52242467635797 0.98671631813565 0.31906743351403 15.999 *25 O 0.00994355446603 0.33777941229520 0.43475884314408 15.999 26 O 0.99005644553397 0.83777941229520 0.06524115685592 15.999 27 O 0.99005644553397 0.66222058770480 0.56524115685592 15.999 28 O 0.00994355446603 0.16222058770480 0.93475884314408 15.999 *29 O 0.24008759612188 0.58730690010893 0.95979023842058 15.999 30 O 0.75991240387812 0.08730690010893 0.54020976157942 15.999 31 O 0.75991240387812 0.41269309989107 0.04020976157942 15.999 32 O 0.24008759612188 0.91269309989107 0.45979023842058 15.999 *33 Ga 0.32301342173028 0.44428119332490 0.85984651828097 69.723 34 Ga 0.67698657826972 0.94428119332490 0.64015348171903 69.723 35 Ga 0.67698657826972 0.55571880667510 0.14015348171903 69.723 36 Ga 0.32301342173028 0.05571880667510 0.35984651828097 69.723 *37 Ga 0.80418346604150 0.09412711511104 0.89032766683305 69.723 38 Ga 0.19581653395850 0.59412711511104 0.60967233316695 69.723 39 Ga 0.19581653395850 0.90587288488896 0.10967233316695 69.723 40 Ga 0.80418346604150 0.40587288488896 0.39032766683305 69.723 *41 Ga 0.20586550117772 0.10795099716560 0.87925105007525 69.723 42 Ga 0.79413449882228 0.60795099716560 0.62074894992475 69.723 43 Ga 0.79413449882228 0.89204900283440 0.12074894992475 69.723 44 Ga 0.20586550117772 0.39204900283440 0.37925105007525 69.723 *45 Ga 0.27855404109407 0.93549290127964 0.63003050619247 69.723 46 Ga 0.72144595890593 0.43549290127964 0.86996949380753 69.723 47 Ga 0.72144595890593 0.06450709872036 0.36996949380753 69.723 48 Ga 0.27855404109407 0.56450709872036 0.13003050619247 69.723 *49 Sr 0.49608303104301 0.28824702404659 0.63123561604440 87.620 50 Sr 0.50391696895699 0.78824702404659 0.86876438395560 87.620 51 Sr 0.50391696895699 0.71175297595341 0.36876438395560 87.620 52 Sr 0.49608303104301 0.21175297595341 0.13123561604440 87.620 *53 Sr 0.96354489725041 0.26348716478018 0.65125816347584 87.620 54 Sr 0.03645510274959 0.76348716478018 0.84874183652416 87.620 55 Sr 0.03645510274959 0.73651283521982 0.34874183652416 87.620 56 Sr 0.96354489725041 0.23651283521982 0.15125816347584 87.620 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.359295740060524 0.000000000000000 0.000000000000000 b 0.000000000000000 8.976702419999999 0.000000000000000 c -0.739412798088655 0.000000000000000 10.658189656356747 Atomic positions (fractional): *1 O 0.34979197187427 0.25594504662315 0.92467246578273 15.999 > 1 2 O 0.65020802812573 0.75594504662315 0.57532753421727 15.999 > 2 3 O 0.65020802812573 0.74405495337685 0.07532753421727 15.999 > 3 4 O 0.34979197187427 0.24405495337685 0.42467246578273 15.999 > 4 *5 O 0.21841382276969 0.41867833613100 0.70080635637718 15.999 > 5 6 O 0.78158617723031 0.91867833613100 0.79919364362282 15.999 > 6 7 O 0.78158617723031 0.58132166386900 0.29919364362282 15.999 > 7 8 O 0.21841382276969 0.08132166386900 0.20080635637718 15.999 > 8 *9 O 0.28371955496843 0.93415893653561 0.95718124387097 15.999 > 9 10 O 0.71628044503157 0.43415893653561 0.54281875612903 15.999 > 10 11 O 0.71628044503157 0.06584106346439 0.04281875612903 15.999 > 11 12 O 0.28371955496843 0.56584106346439 0.45718124387097 15.999 > 12 *13 O 0.72645905412925 0.25007698692669 0.79153427050212 15.999 > 13 14 O 0.27354094587075 0.75007698692669 0.70846572949788 15.999 > 14 15 O 0.27354094587075 0.74992301307331 0.20846572949788 15.999 > 15 16 O 0.72645905412925 0.24992301307331 0.29153427050212 15.999 > 16 *17 O 0.14461874423764 0.05771944025414 0.71413013128077 15.999 > 17 18 O 0.85538125576236 0.55771944025414 0.78586986871923 15.999 > 18 19 O 0.85538125576236 0.94228055974586 0.28586986871923 15.999 > 19 20 O 0.14461874423764 0.44228055974586 0.21413013128077 15.999 > 20 *21 O 0.52242467635797 0.51328368186435 0.81906743351403 15.999 > 21 22 O 0.47757532364203 0.01328368186435 0.68093256648597 15.999 > 22 23 O 0.47757532364203 0.48671631813565 0.18093256648597 15.999 > 23 24 O 0.52242467635797 0.98671631813565 0.31906743351403 15.999 > 24 *25 O 0.00994355446603 0.33777941229520 0.43475884314408 15.999 > 25 26 O 0.99005644553397 0.83777941229520 0.06524115685592 15.999 > 26 27 O 0.99005644553397 0.66222058770480 0.56524115685592 15.999 > 27 28 O 0.00994355446603 0.16222058770480 0.93475884314408 15.999 > 28 *29 O 0.24008759612188 0.58730690010893 0.95979023842058 15.999 > 29 30 O 0.75991240387812 0.08730690010893 0.54020976157942 15.999 > 30 31 O 0.75991240387812 0.41269309989107 0.04020976157942 15.999 > 31 32 O 0.24008759612188 0.91269309989107 0.45979023842058 15.999 > 32 *33 Ga 0.32301342173028 0.44428119332490 0.85984651828097 69.723 > 33 34 Ga 0.67698657826972 0.94428119332490 0.64015348171903 69.723 > 34 35 Ga 0.67698657826972 0.55571880667510 0.14015348171903 69.723 > 35 36 Ga 0.32301342173028 0.05571880667510 0.35984651828097 69.723 > 36 *37 Ga 0.80418346604150 0.09412711511104 0.89032766683305 69.723 > 37 38 Ga 0.19581653395850 0.59412711511104 0.60967233316695 69.723 > 38 39 Ga 0.19581653395850 0.90587288488896 0.10967233316695 69.723 > 39 40 Ga 0.80418346604150 0.40587288488896 0.39032766683305 69.723 > 40 *41 Ga 0.20586550117772 0.10795099716560 0.87925105007525 69.723 > 41 42 Ga 0.79413449882228 0.60795099716560 0.62074894992475 69.723 > 42 43 Ga 0.79413449882228 0.89204900283440 0.12074894992475 69.723 > 43 44 Ga 0.20586550117772 0.39204900283440 0.37925105007525 69.723 > 44 *45 Ga 0.27855404109407 0.93549290127964 0.63003050619247 69.723 > 45 46 Ga 0.72144595890593 0.43549290127964 0.86996949380753 69.723 > 46 47 Ga 0.72144595890593 0.06450709872036 0.36996949380753 69.723 > 47 48 Ga 0.27855404109407 0.56450709872036 0.13003050619247 69.723 > 48 *49 Sr 0.49608303104301 0.28824702404659 0.63123561604440 87.620 > 49 50 Sr 0.50391696895699 0.78824702404659 0.86876438395560 87.620 > 50 51 Sr 0.50391696895699 0.71175297595341 0.36876438395560 87.620 > 51 52 Sr 0.49608303104301 0.21175297595341 0.13123561604440 87.620 > 52 *53 Sr 0.96354489725041 0.26348716478018 0.65125816347584 87.620 > 53 54 Sr 0.03645510274959 0.76348716478018 0.84874183652416 87.620 > 54 55 Sr 0.03645510274959 0.73651283521982 0.34874183652416 87.620 > 55 56 Sr 0.96354489725041 0.23651283521982 0.15125816347584 87.620 > 56 -------------------------------- super cell -------------------------------- Lattice vectors: a 16.718591480121049 0.000000000000000 0.000000000000000 b 0.000000000000000 8.976702419999999 0.000000000000000 c -0.739412798088655 0.000000000000000 10.658189656356747 Atomic positions (fractional): *1 O 0.17489598593714 0.25594504662315 0.92467246578273 15.999 > 1 2 O 0.67489598593714 0.25594504662315 0.92467246578273 15.999 > 1 3 O 0.32510401406286 0.75594504662315 0.57532753421727 15.999 > 2 4 O 0.82510401406286 0.75594504662315 0.57532753421727 15.999 > 2 5 O 0.32510401406286 0.74405495337685 0.07532753421727 15.999 > 3 6 O 0.82510401406286 0.74405495337685 0.07532753421727 15.999 > 3 7 O 0.17489598593714 0.24405495337685 0.42467246578273 15.999 > 4 8 O 0.67489598593714 0.24405495337685 0.42467246578273 15.999 > 4 *9 O 0.10920691138484 0.41867833613100 0.70080635637718 15.999 > 5 10 O 0.60920691138484 0.41867833613100 0.70080635637718 15.999 > 5 11 O 0.39079308861516 0.91867833613100 0.79919364362282 15.999 > 6 12 O 0.89079308861516 0.91867833613100 0.79919364362282 15.999 > 6 13 O 0.39079308861516 0.58132166386900 0.29919364362282 15.999 > 7 14 O 0.89079308861516 0.58132166386900 0.29919364362282 15.999 > 7 15 O 0.10920691138484 0.08132166386900 0.20080635637718 15.999 > 8 16 O 0.60920691138484 0.08132166386900 0.20080635637718 15.999 > 8 *17 O 0.14185977748421 0.93415893653561 0.95718124387097 15.999 > 9 18 O 0.64185977748421 0.93415893653561 0.95718124387097 15.999 > 9 19 O 0.35814022251578 0.43415893653561 0.54281875612903 15.999 > 10 20 O 0.85814022251579 0.43415893653561 0.54281875612903 15.999 > 10 21 O 0.35814022251578 0.06584106346439 0.04281875612903 15.999 > 11 22 O 0.85814022251579 0.06584106346439 0.04281875612903 15.999 > 11 23 O 0.14185977748421 0.56584106346439 0.45718124387097 15.999 > 12 24 O 0.64185977748421 0.56584106346439 0.45718124387097 15.999 > 12 *25 O 0.36322952706462 0.25007698692669 0.79153427050212 15.999 > 13 26 O 0.86322952706462 0.25007698692669 0.79153427050212 15.999 > 13 27 O 0.13677047293538 0.75007698692669 0.70846572949788 15.999 > 14 28 O 0.63677047293538 0.75007698692669 0.70846572949788 15.999 > 14 29 O 0.13677047293538 0.74992301307331 0.20846572949788 15.999 > 15 30 O 0.63677047293538 0.74992301307331 0.20846572949788 15.999 > 15 31 O 0.36322952706462 0.24992301307331 0.29153427050212 15.999 > 16 32 O 0.86322952706462 0.24992301307331 0.29153427050212 15.999 > 16 *33 O 0.07230937211882 0.05771944025414 0.71413013128077 15.999 > 17 34 O 0.57230937211882 0.05771944025414 0.71413013128077 15.999 > 17 35 O 0.42769062788118 0.55771944025414 0.78586986871923 15.999 > 18 36 O 0.92769062788118 0.55771944025414 0.78586986871923 15.999 > 18 37 O 0.42769062788118 0.94228055974586 0.28586986871923 15.999 > 19 38 O 0.92769062788118 0.94228055974586 0.28586986871923 15.999 > 19 39 O 0.07230937211882 0.44228055974586 0.21413013128077 15.999 > 20 40 O 0.57230937211882 0.44228055974586 0.21413013128077 15.999 > 20 *41 O 0.26121233817898 0.51328368186435 0.81906743351403 15.999 > 21 42 O 0.76121233817898 0.51328368186435 0.81906743351403 15.999 > 21 43 O 0.23878766182102 0.01328368186435 0.68093256648597 15.999 > 22 44 O 0.73878766182102 0.01328368186435 0.68093256648597 15.999 > 22 45 O 0.23878766182102 0.48671631813565 0.18093256648597 15.999 > 23 46 O 0.73878766182102 0.48671631813565 0.18093256648597 15.999 > 23 47 O 0.26121233817898 0.98671631813565 0.31906743351403 15.999 > 24 48 O 0.76121233817898 0.98671631813565 0.31906743351403 15.999 > 24 *49 O 0.00497177723301 0.33777941229520 0.43475884314408 15.999 > 25 50 O 0.50497177723301 0.33777941229520 0.43475884314408 15.999 > 25 51 O 0.49502822276699 0.83777941229520 0.06524115685592 15.999 > 26 52 O 0.99502822276699 0.83777941229520 0.06524115685592 15.999 > 26 53 O 0.49502822276699 0.66222058770480 0.56524115685592 15.999 > 27 54 O 0.99502822276699 0.66222058770480 0.56524115685592 15.999 > 27 55 O 0.00497177723301 0.16222058770480 0.93475884314408 15.999 > 28 56 O 0.50497177723301 0.16222058770480 0.93475884314408 15.999 > 28 *57 O 0.12004379806094 0.58730690010893 0.95979023842058 15.999 > 29 58 O 0.62004379806094 0.58730690010893 0.95979023842058 15.999 > 29 59 O 0.37995620193906 0.08730690010893 0.54020976157942 15.999 > 30 60 O 0.87995620193906 0.08730690010893 0.54020976157942 15.999 > 30 61 O 0.37995620193906 0.41269309989107 0.04020976157942 15.999 > 31 62 O 0.87995620193906 0.41269309989107 0.04020976157942 15.999 > 31 63 O 0.12004379806094 0.91269309989107 0.45979023842058 15.999 > 32 64 O 0.62004379806094 0.91269309989107 0.45979023842058 15.999 > 32 *65 Ga 0.16150671086514 0.44428119332490 0.85984651828097 69.723 > 33 66 Ga 0.66150671086514 0.44428119332490 0.85984651828097 69.723 > 33 67 Ga 0.33849328913486 0.94428119332490 0.64015348171903 69.723 > 34 68 Ga 0.83849328913486 0.94428119332490 0.64015348171903 69.723 > 34 69 Ga 0.33849328913486 0.55571880667510 0.14015348171903 69.723 > 35 70 Ga 0.83849328913486 0.55571880667510 0.14015348171903 69.723 > 35 71 Ga 0.16150671086514 0.05571880667510 0.35984651828097 69.723 > 36 72 Ga 0.66150671086514 0.05571880667510 0.35984651828097 69.723 > 36 *73 Ga 0.40209173302075 0.09412711511104 0.89032766683305 69.723 > 37 74 Ga 0.90209173302075 0.09412711511104 0.89032766683305 69.723 > 37 75 Ga 0.09790826697925 0.59412711511104 0.60967233316695 69.723 > 38 76 Ga 0.59790826697925 0.59412711511104 0.60967233316695 69.723 > 38 77 Ga 0.09790826697925 0.90587288488896 0.10967233316695 69.723 > 39 78 Ga 0.59790826697925 0.90587288488896 0.10967233316695 69.723 > 39 79 Ga 0.40209173302075 0.40587288488896 0.39032766683305 69.723 > 40 80 Ga 0.90209173302075 0.40587288488896 0.39032766683305 69.723 > 40 *81 Ga 0.10293275058886 0.10795099716560 0.87925105007525 69.723 > 41 82 Ga 0.60293275058886 0.10795099716560 0.87925105007525 69.723 > 41 83 Ga 0.39706724941114 0.60795099716560 0.62074894992475 69.723 > 42 84 Ga 0.89706724941114 0.60795099716560 0.62074894992475 69.723 > 42 85 Ga 0.39706724941114 0.89204900283440 0.12074894992475 69.723 > 43 86 Ga 0.89706724941114 0.89204900283440 0.12074894992475 69.723 > 43 87 Ga 0.10293275058886 0.39204900283440 0.37925105007525 69.723 > 44 88 Ga 0.60293275058886 0.39204900283440 0.37925105007525 69.723 > 44 *89 Ga 0.13927702054703 0.93549290127964 0.63003050619247 69.723 > 45 90 Ga 0.63927702054703 0.93549290127964 0.63003050619247 69.723 > 45 91 Ga 0.36072297945297 0.43549290127964 0.86996949380753 69.723 > 46 92 Ga 0.86072297945297 0.43549290127964 0.86996949380753 69.723 > 46 93 Ga 0.36072297945297 0.06450709872036 0.36996949380753 69.723 > 47 94 Ga 0.86072297945297 0.06450709872036 0.36996949380753 69.723 > 47 95 Ga 0.13927702054703 0.56450709872036 0.13003050619247 69.723 > 48 96 Ga 0.63927702054703 0.56450709872036 0.13003050619247 69.723 > 48 *97 Sr 0.24804151552151 0.28824702404659 0.63123561604440 87.620 > 49 98 Sr 0.74804151552151 0.28824702404659 0.63123561604440 87.620 > 49 99 Sr 0.25195848447849 0.78824702404659 0.86876438395560 87.620 > 50 100 Sr 0.75195848447849 0.78824702404659 0.86876438395560 87.620 > 50 101 Sr 0.25195848447849 0.71175297595341 0.36876438395560 87.620 > 51 102 Sr 0.75195848447849 0.71175297595341 0.36876438395560 87.620 > 51 103 Sr 0.24804151552151 0.21175297595341 0.13123561604440 87.620 > 52 104 Sr 0.74804151552151 0.21175297595341 0.13123561604440 87.620 > 52 *105 Sr 0.48177244862521 0.26348716478018 0.65125816347584 87.620 > 53 106 Sr 0.98177244862521 0.26348716478018 0.65125816347584 87.620 > 53 107 Sr 0.01822755137479 0.76348716478018 0.84874183652416 87.620 > 54 108 Sr 0.51822755137479 0.76348716478018 0.84874183652416 87.620 > 54 109 Sr 0.01822755137479 0.73651283521982 0.34874183652416 87.620 > 55 110 Sr 0.51822755137479 0.73651283521982 0.34874183652416 87.620 > 55 111 Sr 0.48177244862521 0.23651283521982 0.15125816347584 87.620 > 56 112 Sr 0.98177244862521 0.23651283521982 0.15125816347584 87.620 > 56 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3577930 0.0000000 0.0095792 0.0000000 3.4621466 0.0000000 0.0095706 0.0000000 3.5064216 -------------------------- Born effective charges -------------------------- 1 O -1.6164115 -0.4727377 -0.2796246 -0.3663100 -2.4145211 0.1598304 -0.2333546 0.2023119 -1.7794343 2 O -1.6164115 0.4727377 -0.2796246 0.3663100 -2.4145211 -0.1598304 -0.2333546 -0.2023119 -1.7794343 3 O -1.6164115 -0.4727377 -0.2796246 -0.3663100 -2.4145211 0.1598304 -0.2333546 0.2023119 -1.7794343 4 O -1.6164115 0.4727377 -0.2796246 0.3663100 -2.4145211 -0.1598304 -0.2333546 -0.2023119 -1.7794343 5 O -1.7691612 0.0123394 -0.4591201 0.0405642 -1.9136729 0.2737191 -0.3760772 0.2701936 -2.1856487 6 O -1.7691612 -0.0123394 -0.4591201 -0.0405642 -1.9136729 -0.2737191 -0.3760772 -0.2701936 -2.1856487 7 O -1.7691612 0.0123394 -0.4591201 0.0405642 -1.9136729 0.2737191 -0.3760772 0.2701936 -2.1856487 8 O -1.7691612 -0.0123394 -0.4591201 -0.0405642 -1.9136729 -0.2737191 -0.3760772 -0.2701936 -2.1856487 9 O -1.7715047 0.1465687 0.2483551 0.1634587 -1.9926480 0.2324884 0.2186946 0.2759545 -2.1621735 10 O -1.7715047 -0.1465687 0.2483551 -0.1634587 -1.9926480 -0.2324884 0.2186946 -0.2759545 -2.1621735 11 O -1.7715047 0.1465687 0.2483551 0.1634587 -1.9926480 0.2324884 0.2186946 0.2759545 -2.1621735 12 O -1.7715047 -0.1465687 0.2483551 -0.1634587 -1.9926480 -0.2324884 0.2186946 -0.2759545 -2.1621735 13 O -1.6638873 0.4006932 -0.1656204 0.2581517 -2.3946330 0.0502618 -0.1094167 0.0625488 -1.8868226 14 O -1.6638873 -0.4006932 -0.1656204 -0.2581517 -2.3946330 -0.0502618 -0.1094167 -0.0625488 -1.8868226 15 O -1.6638873 0.4006932 -0.1656204 0.2581517 -2.3946330 0.0502618 -0.1094167 0.0625488 -1.8868226 16 O -1.6638873 -0.4006932 -0.1656204 -0.2581517 -2.3946330 -0.0502618 -0.1094167 -0.0625488 -1.8868226 17 O -1.7713906 0.4818781 0.3302776 0.4150088 -1.9243121 -0.2524982 0.0869008 -0.2602153 -2.1315855 18 O -1.7713906 -0.4818781 0.3302776 -0.4150088 -1.9243121 0.2524982 0.0869008 0.2602153 -2.1315855 19 O -1.7713906 0.4818781 0.3302776 0.4150088 -1.9243121 -0.2524982 0.0869008 -0.2602153 -2.1315855 20 O -1.7713906 -0.4818781 0.3302776 -0.4150088 -1.9243121 0.2524982 0.0869008 0.2602153 -2.1315855 21 O -2.5301373 0.0389478 0.0036509 0.0886142 -1.8302844 -0.0841839 0.0530452 -0.0868449 -1.4663209 22 O -2.5301373 -0.0389478 0.0036509 -0.0886142 -1.8302844 0.0841839 0.0530452 0.0868449 -1.4663209 23 O -2.5301373 0.0389478 0.0036509 0.0886142 -1.8302844 -0.0841839 0.0530452 -0.0868449 -1.4663209 24 O -2.5301373 -0.0389478 0.0036509 -0.0886142 -1.8302844 0.0841839 0.0530452 0.0868449 -1.4663209 25 O -2.5769910 -0.0317534 0.1591476 -0.0902460 -1.4007553 0.1067661 0.1584686 0.1022162 -1.9009166 26 O -2.5769910 0.0317534 0.1591476 0.0902460 -1.4007553 -0.1067661 0.1584686 -0.1022162 -1.9009166 27 O -2.5769910 -0.0317534 0.1591476 -0.0902460 -1.4007553 0.1067661 0.1584686 0.1022162 -1.9009166 28 O -2.5769910 0.0317534 0.1591476 0.0902460 -1.4007553 -0.1067661 0.1584686 -0.1022162 -1.9009166 29 O -1.5256435 0.3625071 0.0484213 0.3402702 -1.7950855 -0.1899181 0.0880799 -0.1663685 -2.4681565 30 O -1.5256435 -0.3625071 0.0484213 -0.3402702 -1.7950855 0.1899181 0.0880799 0.1663685 -2.4681565 31 O -1.5256435 0.3625071 0.0484213 0.3402702 -1.7950855 -0.1899181 0.0880799 -0.1663685 -2.4681565 32 O -1.5256435 -0.3625071 0.0484213 -0.3402702 -1.7950855 0.1899181 0.0880799 0.1663685 -2.4681565 33 Ga 2.4563351 0.2616981 -0.0177706 -0.1975772 2.7250118 -0.1768932 0.0226021 0.2356914 2.7321003 34 Ga 2.4563351 -0.2616981 -0.0177706 0.1975772 2.7250118 0.1768932 0.0226021 -0.2356914 2.7321003 35 Ga 2.4563351 0.2616981 -0.0177706 -0.1975772 2.7250118 -0.1768932 0.0226021 0.2356914 2.7321003 36 Ga 2.4563351 -0.2616981 -0.0177706 0.1975772 2.7250118 0.1768932 0.0226021 -0.2356914 2.7321003 37 Ga 2.4848124 0.1603491 0.2999998 -0.0073269 2.6660793 -0.2861463 0.0066271 0.0962039 2.7985621 38 Ga 2.4848124 -0.1603491 0.2999998 0.0073269 2.6660793 0.2861463 0.0066271 -0.0962039 2.7985621 39 Ga 2.4848124 0.1603491 0.2999998 -0.0073269 2.6660793 -0.2861463 0.0066271 0.0962039 2.7985621 40 Ga 2.4848124 -0.1603491 0.2999998 0.0073269 2.6660793 0.2861463 0.0066271 -0.0962039 2.7985621 41 Ga 2.6134213 0.0697710 -0.2352725 0.2948768 2.7235784 0.1434525 0.1108154 -0.1124390 2.6065429 42 Ga 2.6134213 -0.0697710 -0.2352725 -0.2948768 2.7235784 -0.1434525 0.1108154 0.1124390 2.6065429 43 Ga 2.6134213 0.0697710 -0.2352725 0.2948768 2.7235784 0.1434525 0.1108154 -0.1124390 2.6065429 44 Ga 2.6134213 -0.0697710 -0.2352725 -0.2948768 2.7235784 -0.1434525 0.1108154 0.1124390 2.6065429 45 Ga 2.5266370 0.2052387 -0.1688692 -0.0581425 2.6605238 -0.0836161 -0.2657764 0.2613409 2.8462312 46 Ga 2.5266370 -0.2052387 -0.1688692 0.0581425 2.6605238 0.0836161 -0.2657764 -0.2613409 2.8462312 47 Ga 2.5266370 0.2052387 -0.1688692 -0.0581425 2.6605238 -0.0836161 -0.2657764 0.2613409 2.8462312 48 Ga 2.5266370 -0.2052387 -0.1688692 0.0581425 2.6605238 0.0836161 -0.2657764 -0.2613409 2.8462312 49 Sr 2.5591986 0.0869282 0.1745703 0.0218715 2.4418593 0.0176455 0.1307053 0.0665137 2.5271809 50 Sr 2.5591986 -0.0869282 0.1745703 -0.0218715 2.4418593 -0.0176455 0.1307053 -0.0665137 2.5271809 51 Sr 2.5591986 0.0869282 0.1745703 0.0218715 2.4418593 0.0176455 0.1307053 0.0665137 2.5271809 52 Sr 2.5591986 -0.0869282 0.1745703 -0.0218715 2.4418593 -0.0176455 0.1307053 -0.0665137 2.5271809 53 Sr 2.5847226 0.0425960 0.0618546 0.0764300 2.4488597 -0.2762402 0.1086859 -0.2301860 2.4704412 54 Sr 2.5847226 -0.0425960 0.0618546 -0.0764300 2.4488597 0.2762402 0.1086859 0.2301860 2.4704412 55 Sr 2.5847226 0.0425960 0.0618546 0.0764300 2.4488597 -0.2762402 0.1086859 -0.2301860 2.4704412 56 Sr 2.5847226 -0.0425960 0.0618546 -0.0764300 2.4488597 0.2762402 0.1086859 0.2301860 2.4704412 ---------------------------------------------------------------------------- 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: 28392/28392 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 7224 Number of blocks in projector: 7224 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) 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) 238 eigenvectors found. (2) Block: 568 / 568 (2) 40 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 540 eigenvectors found. (1) Complementary block size: 80 (1) Compute compressed projector. (1) Use standard solver. (1) 52 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) 238 eigenvectors found. (2) Block: 568 / 568 (2) 40 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 540 eigenvectors found. (1) Complementary block size: 80 (1) Compute compressed projector. (1) Use standard solver. (1) 52 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) 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: 4 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (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: 840 / 840 (1) 326 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (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: 840 / 840 (1) 326 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (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: 840 / 840 (1) 326 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: - (7224, 7099), data: False |-- (840, 826), data: False |-- (840, 14), data: (840, 28) @ (28, 14) |-- (340, 326), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (840, 826), data: False |-- (840, 14), data: (840, 28) @ (28, 14) |-- (340, 326), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (840, 826), data: False |-- (840, 14), data: (840, 28) @ (28, 14) |-- (340, 326), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), 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 |-- (1568, 1540), data: False |-- (1568, 52), data: (1568, 80) @ (80, 52) |-- (568, 540), data: False |-- (568, 30), data: (568, 58) @ (58, 30) |-- (68, 40), data: True |-- (250, 238), 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, 52), data: (1568, 80) @ (80, 52) |-- (568, 540), data: False |-- (568, 30), data: (568, 58) @ (58, 30) |-- (68, 40), data: True |-- (250, 238), 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 ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 1680 - Time: 3.355 Solver_block: 200 / 1680 - Time: 2.717 Solver_block: 300 / 1680 - Time: 3.178 Solver_block: 400 / 1680 - Time: 3.432 Solver_block: 500 / 1680 - Time: 3.892 Solver_block: 600 / 1680 - Time: 4.718 Solver_block: 700 / 1680 - Time: 2.927 Solver_block: 800 / 1680 - Time: 2.887 Solver_block: 900 / 1680 - Time: 3.241 Solver_block: 1000 / 1680 - Time: 2.805 Solver_block: 1100 / 1680 - Time: 3.590 Solver_block: 1200 / 1680 - Time: 2.598 Solver_block: 1300 / 1680 - Time: 2.563 Solver_block: 1400 / 1680 - Time: 2.960 Solver_block: 1500 / 1680 - Time: 3.569 Solver_block: 1600 / 1680 - Time: 2.745 Solver_block: 1680 / 1680 - Time: 1.715 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 55.092 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 336/336 Permutation basis: 28392/28392 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 7224 Number of blocks in projector: 7224 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) 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) 238 eigenvectors found. (2) Block: 568 / 568 (2) 40 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 540 eigenvectors found. (1) Complementary block size: 80 (1) Compute compressed projector. (1) Use standard solver. (1) 52 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) 238 eigenvectors found. (2) Block: 568 / 568 (2) 40 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 540 eigenvectors found. (1) Complementary block size: 80 (1) Compute compressed projector. (1) Use standard solver. (1) 52 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) 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: 4 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (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: 840 / 840 (1) 326 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (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: 840 / 840 (1) 326 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (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: 840 / 840 (1) 326 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: - (7224, 7099), data: False |-- (840, 826), data: False |-- (840, 14), data: (840, 28) @ (28, 14) |-- (340, 326), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (840, 826), data: False |-- (840, 14), data: (840, 28) @ (28, 14) |-- (340, 326), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (840, 826), data: False |-- (840, 14), data: (840, 28) @ (28, 14) |-- (340, 326), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), 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 |-- (1568, 1540), data: False |-- (1568, 52), data: (1568, 80) @ (80, 52) |-- (568, 540), data: False |-- (568, 30), data: (568, 58) @ (58, 30) |-- (68, 40), data: True |-- (250, 238), 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, 52), data: (1568, 80) @ (80, 52) |-- (568, 540), data: False |-- (568, 30), data: (568, 58) @ (58, 30) |-- (68, 40), data: True |-- (250, 238), 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 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 2026-01-07 20:32:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:32:15]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.359295740060524 0.000000000000000 0.000000000000000 b 0.000000000000000 8.976702419999999 0.000000000000000 c -0.739412798088655 0.000000000000000 10.658189656356747 Atomic positions (fractional): 1 O 0.34979197187427 0.25594504662315 0.92467246578273 15.999 2 O 0.65020802812573 0.75594504662315 0.57532753421727 15.999 3 O 0.65020802812573 0.74405495337685 0.07532753421727 15.999 4 O 0.34979197187427 0.24405495337685 0.42467246578273 15.999 5 O 0.21841382276969 0.41867833613100 0.70080635637718 15.999 6 O 0.78158617723031 0.91867833613100 0.79919364362282 15.999 7 O 0.78158617723031 0.58132166386900 0.29919364362282 15.999 8 O 0.21841382276969 0.08132166386900 0.20080635637718 15.999 9 O 0.28371955496843 0.93415893653561 0.95718124387097 15.999 10 O 0.71628044503157 0.43415893653561 0.54281875612903 15.999 11 O 0.71628044503157 0.06584106346439 0.04281875612903 15.999 12 O 0.28371955496843 0.56584106346439 0.45718124387097 15.999 13 O 0.72645905412925 0.25007698692669 0.79153427050212 15.999 14 O 0.27354094587075 0.75007698692669 0.70846572949788 15.999 15 O 0.27354094587075 0.74992301307331 0.20846572949788 15.999 16 O 0.72645905412925 0.24992301307331 0.29153427050212 15.999 17 O 0.14461874423764 0.05771944025414 0.71413013128077 15.999 18 O 0.85538125576236 0.55771944025414 0.78586986871923 15.999 19 O 0.85538125576236 0.94228055974586 0.28586986871923 15.999 20 O 0.14461874423764 0.44228055974586 0.21413013128077 15.999 21 O 0.52242467635797 0.51328368186435 0.81906743351403 15.999 22 O 0.47757532364203 0.01328368186435 0.68093256648597 15.999 23 O 0.47757532364203 0.48671631813565 0.18093256648597 15.999 24 O 0.52242467635797 0.98671631813565 0.31906743351403 15.999 25 O 0.00994355446603 0.33777941229520 0.43475884314408 15.999 26 O 0.99005644553397 0.83777941229520 0.06524115685592 15.999 27 O 0.99005644553397 0.66222058770480 0.56524115685592 15.999 28 O 0.00994355446603 0.16222058770480 0.93475884314408 15.999 29 O 0.24008759612188 0.58730690010893 0.95979023842058 15.999 30 O 0.75991240387812 0.08730690010893 0.54020976157942 15.999 31 O 0.75991240387812 0.41269309989107 0.04020976157942 15.999 32 O 0.24008759612188 0.91269309989107 0.45979023842058 15.999 33 Ga 0.32301342173028 0.44428119332490 0.85984651828097 69.723 34 Ga 0.67698657826972 0.94428119332490 0.64015348171903 69.723 35 Ga 0.67698657826972 0.55571880667510 0.14015348171903 69.723 36 Ga 0.32301342173028 0.05571880667510 0.35984651828097 69.723 37 Ga 0.80418346604150 0.09412711511104 0.89032766683305 69.723 38 Ga 0.19581653395850 0.59412711511104 0.60967233316695 69.723 39 Ga 0.19581653395850 0.90587288488896 0.10967233316695 69.723 40 Ga 0.80418346604150 0.40587288488896 0.39032766683305 69.723 41 Ga 0.20586550117772 0.10795099716560 0.87925105007525 69.723 42 Ga 0.79413449882228 0.60795099716560 0.62074894992475 69.723 43 Ga 0.79413449882228 0.89204900283440 0.12074894992475 69.723 44 Ga 0.20586550117772 0.39204900283440 0.37925105007525 69.723 45 Ga 0.27855404109407 0.93549290127964 0.63003050619247 69.723 46 Ga 0.72144595890593 0.43549290127964 0.86996949380753 69.723 47 Ga 0.72144595890593 0.06450709872036 0.36996949380753 69.723 48 Ga 0.27855404109407 0.56450709872036 0.13003050619247 69.723 49 Sr 0.49608303104301 0.28824702404659 0.63123561604440 87.620 50 Sr 0.50391696895699 0.78824702404659 0.86876438395560 87.620 51 Sr 0.50391696895699 0.71175297595341 0.36876438395560 87.620 52 Sr 0.49608303104301 0.21175297595341 0.13123561604440 87.620 53 Sr 0.96354489725041 0.26348716478018 0.65125816347584 87.620 54 Sr 0.03645510274959 0.76348716478018 0.84874183652416 87.620 55 Sr 0.03645510274959 0.73651283521982 0.34874183652416 87.620 56 Sr 0.96354489725041 0.23651283521982 0.15125816347584 87.620 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.718591480121049 0.000000000000000 0.000000000000000 b 0.000000000000000 8.976702419999999 0.000000000000000 c -0.739412798088655 0.000000000000000 10.658189656356747 Atomic positions (fractional): 1 O 0.17489598593714 0.25594504662315 0.92467246578273 15.999 > 1 2 O 0.67489598593714 0.25594504662315 0.92467246578273 15.999 > 1 3 O 0.32510401406286 0.75594504662315 0.57532753421727 15.999 > 3 4 O 0.82510401406286 0.75594504662315 0.57532753421727 15.999 > 3 5 O 0.32510401406286 0.74405495337685 0.07532753421727 15.999 > 5 6 O 0.82510401406286 0.74405495337685 0.07532753421727 15.999 > 5 7 O 0.17489598593714 0.24405495337685 0.42467246578273 15.999 > 7 8 O 0.67489598593714 0.24405495337685 0.42467246578273 15.999 > 7 9 O 0.10920691138484 0.41867833613100 0.70080635637718 15.999 > 9 10 O 0.60920691138484 0.41867833613100 0.70080635637718 15.999 > 9 11 O 0.39079308861516 0.91867833613100 0.79919364362282 15.999 > 11 12 O 0.89079308861516 0.91867833613100 0.79919364362282 15.999 > 11 13 O 0.39079308861516 0.58132166386900 0.29919364362282 15.999 > 13 14 O 0.89079308861516 0.58132166386900 0.29919364362282 15.999 > 13 15 O 0.10920691138484 0.08132166386900 0.20080635637718 15.999 > 15 16 O 0.60920691138484 0.08132166386900 0.20080635637718 15.999 > 15 17 O 0.14185977748421 0.93415893653561 0.95718124387097 15.999 > 17 18 O 0.64185977748421 0.93415893653561 0.95718124387097 15.999 > 17 19 O 0.35814022251578 0.43415893653561 0.54281875612903 15.999 > 19 20 O 0.85814022251579 0.43415893653561 0.54281875612903 15.999 > 19 21 O 0.35814022251578 0.06584106346439 0.04281875612903 15.999 > 21 22 O 0.85814022251579 0.06584106346439 0.04281875612903 15.999 > 21 23 O 0.14185977748421 0.56584106346439 0.45718124387097 15.999 > 23 24 O 0.64185977748421 0.56584106346439 0.45718124387097 15.999 > 23 25 O 0.36322952706462 0.25007698692669 0.79153427050212 15.999 > 25 26 O 0.86322952706462 0.25007698692669 0.79153427050212 15.999 > 25 27 O 0.13677047293538 0.75007698692669 0.70846572949788 15.999 > 27 28 O 0.63677047293538 0.75007698692669 0.70846572949788 15.999 > 27 29 O 0.13677047293538 0.74992301307331 0.20846572949788 15.999 > 29 30 O 0.63677047293538 0.74992301307331 0.20846572949788 15.999 > 29 31 O 0.36322952706462 0.24992301307331 0.29153427050212 15.999 > 31 32 O 0.86322952706462 0.24992301307331 0.29153427050212 15.999 > 31 33 O 0.07230937211882 0.05771944025414 0.71413013128077 15.999 > 33 34 O 0.57230937211882 0.05771944025414 0.71413013128077 15.999 > 33 35 O 0.42769062788118 0.55771944025414 0.78586986871923 15.999 > 35 36 O 0.92769062788118 0.55771944025414 0.78586986871923 15.999 > 35 37 O 0.42769062788118 0.94228055974586 0.28586986871923 15.999 > 37 38 O 0.92769062788118 0.94228055974586 0.28586986871923 15.999 > 37 39 O 0.07230937211882 0.44228055974586 0.21413013128077 15.999 > 39 40 O 0.57230937211882 0.44228055974586 0.21413013128077 15.999 > 39 41 O 0.26121233817898 0.51328368186435 0.81906743351403 15.999 > 41 42 O 0.76121233817898 0.51328368186435 0.81906743351403 15.999 > 41 43 O 0.23878766182102 0.01328368186435 0.68093256648597 15.999 > 43 44 O 0.73878766182102 0.01328368186435 0.68093256648597 15.999 > 43 45 O 0.23878766182102 0.48671631813565 0.18093256648597 15.999 > 45 46 O 0.73878766182102 0.48671631813565 0.18093256648597 15.999 > 45 47 O 0.26121233817898 0.98671631813565 0.31906743351403 15.999 > 47 48 O 0.76121233817898 0.98671631813565 0.31906743351403 15.999 > 47 49 O 0.00497177723301 0.33777941229520 0.43475884314408 15.999 > 49 50 O 0.50497177723301 0.33777941229520 0.43475884314408 15.999 > 49 51 O 0.49502822276699 0.83777941229520 0.06524115685592 15.999 > 51 52 O 0.99502822276699 0.83777941229520 0.06524115685592 15.999 > 51 53 O 0.49502822276699 0.66222058770480 0.56524115685592 15.999 > 53 54 O 0.99502822276699 0.66222058770480 0.56524115685592 15.999 > 53 55 O 0.00497177723301 0.16222058770480 0.93475884314408 15.999 > 55 56 O 0.50497177723301 0.16222058770480 0.93475884314408 15.999 > 55 57 O 0.12004379806094 0.58730690010893 0.95979023842058 15.999 > 57 58 O 0.62004379806094 0.58730690010893 0.95979023842058 15.999 > 57 59 O 0.37995620193906 0.08730690010893 0.54020976157942 15.999 > 59 60 O 0.87995620193906 0.08730690010893 0.54020976157942 15.999 > 59 61 O 0.37995620193906 0.41269309989107 0.04020976157942 15.999 > 61 62 O 0.87995620193906 0.41269309989107 0.04020976157942 15.999 > 61 63 O 0.12004379806094 0.91269309989107 0.45979023842058 15.999 > 63 64 O 0.62004379806094 0.91269309989107 0.45979023842058 15.999 > 63 65 Ga 0.16150671086514 0.44428119332490 0.85984651828097 69.723 > 65 66 Ga 0.66150671086514 0.44428119332490 0.85984651828097 69.723 > 65 67 Ga 0.33849328913486 0.94428119332490 0.64015348171903 69.723 > 67 68 Ga 0.83849328913486 0.94428119332490 0.64015348171903 69.723 > 67 69 Ga 0.33849328913486 0.55571880667510 0.14015348171903 69.723 > 69 70 Ga 0.83849328913486 0.55571880667510 0.14015348171903 69.723 > 69 71 Ga 0.16150671086514 0.05571880667510 0.35984651828097 69.723 > 71 72 Ga 0.66150671086514 0.05571880667510 0.35984651828097 69.723 > 71 73 Ga 0.40209173302075 0.09412711511104 0.89032766683305 69.723 > 73 74 Ga 0.90209173302075 0.09412711511104 0.89032766683305 69.723 > 73 75 Ga 0.09790826697925 0.59412711511104 0.60967233316695 69.723 > 75 76 Ga 0.59790826697925 0.59412711511104 0.60967233316695 69.723 > 75 77 Ga 0.09790826697925 0.90587288488896 0.10967233316695 69.723 > 77 78 Ga 0.59790826697925 0.90587288488896 0.10967233316695 69.723 > 77 79 Ga 0.40209173302075 0.40587288488896 0.39032766683305 69.723 > 79 80 Ga 0.90209173302075 0.40587288488896 0.39032766683305 69.723 > 79 81 Ga 0.10293275058886 0.10795099716560 0.87925105007525 69.723 > 81 82 Ga 0.60293275058886 0.10795099716560 0.87925105007525 69.723 > 81 83 Ga 0.39706724941114 0.60795099716560 0.62074894992475 69.723 > 83 84 Ga 0.89706724941114 0.60795099716560 0.62074894992475 69.723 > 83 85 Ga 0.39706724941114 0.89204900283440 0.12074894992475 69.723 > 85 86 Ga 0.89706724941114 0.89204900283440 0.12074894992475 69.723 > 85 87 Ga 0.10293275058886 0.39204900283440 0.37925105007525 69.723 > 87 88 Ga 0.60293275058886 0.39204900283440 0.37925105007525 69.723 > 87 89 Ga 0.13927702054703 0.93549290127964 0.63003050619247 69.723 > 89 90 Ga 0.63927702054703 0.93549290127964 0.63003050619247 69.723 > 89 91 Ga 0.36072297945297 0.43549290127964 0.86996949380753 69.723 > 91 92 Ga 0.86072297945297 0.43549290127964 0.86996949380753 69.723 > 91 93 Ga 0.36072297945297 0.06450709872036 0.36996949380753 69.723 > 93 94 Ga 0.86072297945297 0.06450709872036 0.36996949380753 69.723 > 93 95 Ga 0.13927702054703 0.56450709872036 0.13003050619247 69.723 > 95 96 Ga 0.63927702054703 0.56450709872036 0.13003050619247 69.723 > 95 97 Sr 0.24804151552151 0.28824702404659 0.63123561604440 87.620 > 97 98 Sr 0.74804151552151 0.28824702404659 0.63123561604440 87.620 > 97 99 Sr 0.25195848447849 0.78824702404659 0.86876438395560 87.620 > 99 100 Sr 0.75195848447849 0.78824702404659 0.86876438395560 87.620 > 99 101 Sr 0.25195848447849 0.71175297595341 0.36876438395560 87.620 > 101 102 Sr 0.75195848447849 0.71175297595341 0.36876438395560 87.620 > 101 103 Sr 0.24804151552151 0.21175297595341 0.13123561604440 87.620 > 103 104 Sr 0.74804151552151 0.21175297595341 0.13123561604440 87.620 > 103 105 Sr 0.48177244862521 0.26348716478018 0.65125816347584 87.620 > 105 106 Sr 0.98177244862521 0.26348716478018 0.65125816347584 87.620 > 105 107 Sr 0.01822755137479 0.76348716478018 0.84874183652416 87.620 > 107 108 Sr 0.51822755137479 0.76348716478018 0.84874183652416 87.620 > 107 109 Sr 0.01822755137479 0.73651283521982 0.34874183652416 87.620 > 109 110 Sr 0.51822755137479 0.73651283521982 0.34874183652416 87.620 > 109 111 Sr 0.48177244862521 0.23651283521982 0.15125816347584 87.620 > 111 112 Sr 0.98177244862521 0.23651283521982 0.15125816347584 87.620 > 111 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3577930 0.0000000 0.0095792 0.0000000 3.4621466 0.0000000 0.0095706 0.0000000 3.5064216 -------------------------- Born effective charges -------------------------- 1 O -1.6164115 -0.4727377 -0.2796246 -0.3663100 -2.4145211 0.1598304 -0.2333546 0.2023119 -1.7794343 2 O -1.6164115 0.4727377 -0.2796246 0.3663100 -2.4145211 -0.1598304 -0.2333546 -0.2023119 -1.7794343 3 O -1.6164115 -0.4727377 -0.2796246 -0.3663100 -2.4145211 0.1598304 -0.2333546 0.2023119 -1.7794343 4 O -1.6164115 0.4727377 -0.2796246 0.3663100 -2.4145211 -0.1598304 -0.2333546 -0.2023119 -1.7794343 5 O -1.7691612 0.0123394 -0.4591201 0.0405642 -1.9136729 0.2737191 -0.3760772 0.2701936 -2.1856487 6 O -1.7691612 -0.0123394 -0.4591201 -0.0405642 -1.9136729 -0.2737191 -0.3760772 -0.2701936 -2.1856487 7 O -1.7691612 0.0123394 -0.4591201 0.0405642 -1.9136729 0.2737191 -0.3760772 0.2701936 -2.1856487 8 O -1.7691612 -0.0123394 -0.4591201 -0.0405642 -1.9136729 -0.2737191 -0.3760772 -0.2701936 -2.1856487 9 O -1.7715047 0.1465687 0.2483551 0.1634587 -1.9926480 0.2324884 0.2186946 0.2759545 -2.1621735 10 O -1.7715047 -0.1465687 0.2483551 -0.1634587 -1.9926480 -0.2324884 0.2186946 -0.2759545 -2.1621735 11 O -1.7715047 0.1465687 0.2483551 0.1634587 -1.9926480 0.2324884 0.2186946 0.2759545 -2.1621735 12 O -1.7715047 -0.1465687 0.2483551 -0.1634587 -1.9926480 -0.2324884 0.2186946 -0.2759545 -2.1621735 13 O -1.6638873 0.4006932 -0.1656204 0.2581517 -2.3946330 0.0502618 -0.1094167 0.0625488 -1.8868226 14 O -1.6638873 -0.4006932 -0.1656204 -0.2581517 -2.3946330 -0.0502618 -0.1094167 -0.0625488 -1.8868226 15 O -1.6638873 0.4006932 -0.1656204 0.2581517 -2.3946330 0.0502618 -0.1094167 0.0625488 -1.8868226 16 O -1.6638873 -0.4006932 -0.1656204 -0.2581517 -2.3946330 -0.0502618 -0.1094167 -0.0625488 -1.8868226 17 O -1.7713906 0.4818781 0.3302776 0.4150088 -1.9243121 -0.2524982 0.0869008 -0.2602153 -2.1315855 18 O -1.7713906 -0.4818781 0.3302776 -0.4150088 -1.9243121 0.2524982 0.0869008 0.2602153 -2.1315855 19 O -1.7713906 0.4818781 0.3302776 0.4150088 -1.9243121 -0.2524982 0.0869008 -0.2602153 -2.1315855 20 O -1.7713906 -0.4818781 0.3302776 -0.4150088 -1.9243121 0.2524982 0.0869008 0.2602153 -2.1315855 21 O -2.5301373 0.0389478 0.0036509 0.0886142 -1.8302844 -0.0841839 0.0530452 -0.0868449 -1.4663209 22 O -2.5301373 -0.0389478 0.0036509 -0.0886142 -1.8302844 0.0841839 0.0530452 0.0868449 -1.4663209 23 O -2.5301373 0.0389478 0.0036509 0.0886142 -1.8302844 -0.0841839 0.0530452 -0.0868449 -1.4663209 24 O -2.5301373 -0.0389478 0.0036509 -0.0886142 -1.8302844 0.0841839 0.0530452 0.0868449 -1.4663209 25 O -2.5769910 -0.0317534 0.1591476 -0.0902460 -1.4007553 0.1067661 0.1584686 0.1022162 -1.9009166 26 O -2.5769910 0.0317534 0.1591476 0.0902460 -1.4007553 -0.1067661 0.1584686 -0.1022162 -1.9009166 27 O -2.5769910 -0.0317534 0.1591476 -0.0902460 -1.4007553 0.1067661 0.1584686 0.1022162 -1.9009166 28 O -2.5769910 0.0317534 0.1591476 0.0902460 -1.4007553 -0.1067661 0.1584686 -0.1022162 -1.9009166 29 O -1.5256435 0.3625071 0.0484213 0.3402702 -1.7950855 -0.1899181 0.0880799 -0.1663685 -2.4681565 30 O -1.5256435 -0.3625071 0.0484213 -0.3402702 -1.7950855 0.1899181 0.0880799 0.1663685 -2.4681565 31 O -1.5256435 0.3625071 0.0484213 0.3402702 -1.7950855 -0.1899181 0.0880799 -0.1663685 -2.4681565 32 O -1.5256435 -0.3625071 0.0484213 -0.3402702 -1.7950855 0.1899181 0.0880799 0.1663685 -2.4681565 33 Ga 2.4563351 0.2616981 -0.0177706 -0.1975772 2.7250118 -0.1768932 0.0226021 0.2356914 2.7321003 34 Ga 2.4563351 -0.2616981 -0.0177706 0.1975772 2.7250118 0.1768932 0.0226021 -0.2356914 2.7321003 35 Ga 2.4563351 0.2616981 -0.0177706 -0.1975772 2.7250118 -0.1768932 0.0226021 0.2356914 2.7321003 36 Ga 2.4563351 -0.2616981 -0.0177706 0.1975772 2.7250118 0.1768932 0.0226021 -0.2356914 2.7321003 37 Ga 2.4848124 0.1603491 0.2999998 -0.0073269 2.6660793 -0.2861463 0.0066271 0.0962039 2.7985621 38 Ga 2.4848124 -0.1603491 0.2999998 0.0073269 2.6660793 0.2861463 0.0066271 -0.0962039 2.7985621 39 Ga 2.4848124 0.1603491 0.2999998 -0.0073269 2.6660793 -0.2861463 0.0066271 0.0962039 2.7985621 40 Ga 2.4848124 -0.1603491 0.2999998 0.0073269 2.6660793 0.2861463 0.0066271 -0.0962039 2.7985621 41 Ga 2.6134213 0.0697710 -0.2352725 0.2948768 2.7235784 0.1434525 0.1108154 -0.1124390 2.6065429 42 Ga 2.6134213 -0.0697710 -0.2352725 -0.2948768 2.7235784 -0.1434525 0.1108154 0.1124390 2.6065429 43 Ga 2.6134213 0.0697710 -0.2352725 0.2948768 2.7235784 0.1434525 0.1108154 -0.1124390 2.6065429 44 Ga 2.6134213 -0.0697710 -0.2352725 -0.2948768 2.7235784 -0.1434525 0.1108154 0.1124390 2.6065429 45 Ga 2.5266370 0.2052387 -0.1688692 -0.0581425 2.6605238 -0.0836161 -0.2657764 0.2613409 2.8462312 46 Ga 2.5266370 -0.2052387 -0.1688692 0.0581425 2.6605238 0.0836161 -0.2657764 -0.2613409 2.8462312 47 Ga 2.5266370 0.2052387 -0.1688692 -0.0581425 2.6605238 -0.0836161 -0.2657764 0.2613409 2.8462312 48 Ga 2.5266370 -0.2052387 -0.1688692 0.0581425 2.6605238 0.0836161 -0.2657764 -0.2613409 2.8462312 49 Sr 2.5591986 0.0869282 0.1745703 0.0218715 2.4418593 0.0176455 0.1307053 0.0665137 2.5271809 50 Sr 2.5591986 -0.0869282 0.1745703 -0.0218715 2.4418593 -0.0176455 0.1307053 -0.0665137 2.5271809 51 Sr 2.5591986 0.0869282 0.1745703 0.0218715 2.4418593 0.0176455 0.1307053 0.0665137 2.5271809 52 Sr 2.5591986 -0.0869282 0.1745703 -0.0218715 2.4418593 -0.0176455 0.1307053 -0.0665137 2.5271809 53 Sr 2.5847226 0.0425960 0.0618546 0.0764300 2.4488597 -0.2762402 0.1086859 -0.2301860 2.4704412 54 Sr 2.5847226 -0.0425960 0.0618546 -0.0764300 2.4488597 0.2762402 0.1086859 0.2301860 2.4704412 55 Sr 2.5847226 0.0425960 0.0618546 0.0764300 2.4488597 -0.2762402 0.1086859 -0.2301860 2.4704412 56 Sr 2.5847226 -0.0425960 0.0618546 -0.0764300 2.4488597 0.2762402 0.1086859 0.2301860 2.4704412 ---------------------------------------------------------------------------- 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] [-0.0007 0.0000 0.0100] [ 0.0007 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] [-0.0007 0.0000 0.0100] [ 0.0007 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] [-0.0007 0.0000 0.0100] [ 0.0007 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] [-0.0007 0.0000 0.0100] [ 0.0007 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] [-0.0007 0.0000 0.0100] [ 0.0007 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] [-0.0007 0.0000 0.0100] [ 0.0007 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] [-0.0007 0.0000 0.0100] [ 0.0007 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] [-0.0007 0.0000 0.0100] [ 0.0007 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] [-0.0007 0.0000 0.0100] [ 0.0007 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] [-0.0007 0.0000 0.0100] [ 0.0007 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] [-0.0007 0.0000 0.0100] [ 0.0007 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] [-0.0007 0.0000 0.0100] [ 0.0007 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] [-0.0007 0.0000 0.0100] [ 0.0007 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] [-0.0007 0.0000 0.0100] [ 0.0007 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:33:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:33:25]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.359295740060524 0.000000000000000 0.000000000000000 b 0.000000000000000 8.976702419999999 0.000000000000000 c -0.739412798088655 0.000000000000000 10.658189656356747 Atomic positions (fractional): 1 O 0.34979197187427 0.25594504662315 0.92467246578273 15.999 2 O 0.65020802812573 0.75594504662315 0.57532753421727 15.999 3 O 0.65020802812573 0.74405495337685 0.07532753421727 15.999 4 O 0.34979197187427 0.24405495337685 0.42467246578273 15.999 5 O 0.21841382276969 0.41867833613100 0.70080635637718 15.999 6 O 0.78158617723031 0.91867833613100 0.79919364362282 15.999 7 O 0.78158617723031 0.58132166386900 0.29919364362282 15.999 8 O 0.21841382276969 0.08132166386900 0.20080635637718 15.999 9 O 0.28371955496843 0.93415893653561 0.95718124387097 15.999 10 O 0.71628044503157 0.43415893653561 0.54281875612903 15.999 11 O 0.71628044503157 0.06584106346439 0.04281875612903 15.999 12 O 0.28371955496843 0.56584106346439 0.45718124387097 15.999 13 O 0.72645905412925 0.25007698692669 0.79153427050212 15.999 14 O 0.27354094587075 0.75007698692669 0.70846572949788 15.999 15 O 0.27354094587075 0.74992301307331 0.20846572949788 15.999 16 O 0.72645905412925 0.24992301307331 0.29153427050212 15.999 17 O 0.14461874423764 0.05771944025414 0.71413013128077 15.999 18 O 0.85538125576236 0.55771944025414 0.78586986871923 15.999 19 O 0.85538125576236 0.94228055974586 0.28586986871923 15.999 20 O 0.14461874423764 0.44228055974586 0.21413013128077 15.999 21 O 0.52242467635797 0.51328368186435 0.81906743351403 15.999 22 O 0.47757532364203 0.01328368186435 0.68093256648597 15.999 23 O 0.47757532364203 0.48671631813565 0.18093256648597 15.999 24 O 0.52242467635797 0.98671631813565 0.31906743351403 15.999 25 O 0.00994355446603 0.33777941229520 0.43475884314408 15.999 26 O 0.99005644553397 0.83777941229520 0.06524115685592 15.999 27 O 0.99005644553397 0.66222058770480 0.56524115685592 15.999 28 O 0.00994355446603 0.16222058770480 0.93475884314408 15.999 29 O 0.24008759612188 0.58730690010893 0.95979023842058 15.999 30 O 0.75991240387812 0.08730690010893 0.54020976157942 15.999 31 O 0.75991240387812 0.41269309989107 0.04020976157942 15.999 32 O 0.24008759612188 0.91269309989107 0.45979023842058 15.999 33 Ga 0.32301342173028 0.44428119332490 0.85984651828097 69.723 34 Ga 0.67698657826972 0.94428119332490 0.64015348171903 69.723 35 Ga 0.67698657826972 0.55571880667510 0.14015348171903 69.723 36 Ga 0.32301342173028 0.05571880667510 0.35984651828097 69.723 37 Ga 0.80418346604150 0.09412711511104 0.89032766683305 69.723 38 Ga 0.19581653395850 0.59412711511104 0.60967233316695 69.723 39 Ga 0.19581653395850 0.90587288488896 0.10967233316695 69.723 40 Ga 0.80418346604150 0.40587288488896 0.39032766683305 69.723 41 Ga 0.20586550117772 0.10795099716560 0.87925105007525 69.723 42 Ga 0.79413449882228 0.60795099716560 0.62074894992475 69.723 43 Ga 0.79413449882228 0.89204900283440 0.12074894992475 69.723 44 Ga 0.20586550117772 0.39204900283440 0.37925105007525 69.723 45 Ga 0.27855404109407 0.93549290127964 0.63003050619247 69.723 46 Ga 0.72144595890593 0.43549290127964 0.86996949380753 69.723 47 Ga 0.72144595890593 0.06450709872036 0.36996949380753 69.723 48 Ga 0.27855404109407 0.56450709872036 0.13003050619247 69.723 49 Sr 0.49608303104301 0.28824702404659 0.63123561604440 87.620 50 Sr 0.50391696895699 0.78824702404659 0.86876438395560 87.620 51 Sr 0.50391696895699 0.71175297595341 0.36876438395560 87.620 52 Sr 0.49608303104301 0.21175297595341 0.13123561604440 87.620 53 Sr 0.96354489725041 0.26348716478018 0.65125816347584 87.620 54 Sr 0.03645510274959 0.76348716478018 0.84874183652416 87.620 55 Sr 0.03645510274959 0.73651283521982 0.34874183652416 87.620 56 Sr 0.96354489725041 0.23651283521982 0.15125816347584 87.620 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.718591480121049 0.000000000000000 0.000000000000000 b 0.000000000000000 8.976702419999999 0.000000000000000 c -0.739412798088655 0.000000000000000 10.658189656356747 Atomic positions (fractional): 1 O 0.17489598593714 0.25594504662315 0.92467246578273 15.999 > 1 2 O 0.67489598593714 0.25594504662315 0.92467246578273 15.999 > 1 3 O 0.32510401406286 0.75594504662315 0.57532753421727 15.999 > 3 4 O 0.82510401406286 0.75594504662315 0.57532753421727 15.999 > 3 5 O 0.32510401406286 0.74405495337685 0.07532753421727 15.999 > 5 6 O 0.82510401406286 0.74405495337685 0.07532753421727 15.999 > 5 7 O 0.17489598593714 0.24405495337685 0.42467246578273 15.999 > 7 8 O 0.67489598593714 0.24405495337685 0.42467246578273 15.999 > 7 9 O 0.10920691138484 0.41867833613100 0.70080635637718 15.999 > 9 10 O 0.60920691138484 0.41867833613100 0.70080635637718 15.999 > 9 11 O 0.39079308861516 0.91867833613100 0.79919364362282 15.999 > 11 12 O 0.89079308861516 0.91867833613100 0.79919364362282 15.999 > 11 13 O 0.39079308861516 0.58132166386900 0.29919364362282 15.999 > 13 14 O 0.89079308861516 0.58132166386900 0.29919364362282 15.999 > 13 15 O 0.10920691138484 0.08132166386900 0.20080635637718 15.999 > 15 16 O 0.60920691138484 0.08132166386900 0.20080635637718 15.999 > 15 17 O 0.14185977748421 0.93415893653561 0.95718124387097 15.999 > 17 18 O 0.64185977748421 0.93415893653561 0.95718124387097 15.999 > 17 19 O 0.35814022251578 0.43415893653561 0.54281875612903 15.999 > 19 20 O 0.85814022251579 0.43415893653561 0.54281875612903 15.999 > 19 21 O 0.35814022251578 0.06584106346439 0.04281875612903 15.999 > 21 22 O 0.85814022251579 0.06584106346439 0.04281875612903 15.999 > 21 23 O 0.14185977748421 0.56584106346439 0.45718124387097 15.999 > 23 24 O 0.64185977748421 0.56584106346439 0.45718124387097 15.999 > 23 25 O 0.36322952706462 0.25007698692669 0.79153427050212 15.999 > 25 26 O 0.86322952706462 0.25007698692669 0.79153427050212 15.999 > 25 27 O 0.13677047293538 0.75007698692669 0.70846572949788 15.999 > 27 28 O 0.63677047293538 0.75007698692669 0.70846572949788 15.999 > 27 29 O 0.13677047293538 0.74992301307331 0.20846572949788 15.999 > 29 30 O 0.63677047293538 0.74992301307331 0.20846572949788 15.999 > 29 31 O 0.36322952706462 0.24992301307331 0.29153427050212 15.999 > 31 32 O 0.86322952706462 0.24992301307331 0.29153427050212 15.999 > 31 33 O 0.07230937211882 0.05771944025414 0.71413013128077 15.999 > 33 34 O 0.57230937211882 0.05771944025414 0.71413013128077 15.999 > 33 35 O 0.42769062788118 0.55771944025414 0.78586986871923 15.999 > 35 36 O 0.92769062788118 0.55771944025414 0.78586986871923 15.999 > 35 37 O 0.42769062788118 0.94228055974586 0.28586986871923 15.999 > 37 38 O 0.92769062788118 0.94228055974586 0.28586986871923 15.999 > 37 39 O 0.07230937211882 0.44228055974586 0.21413013128077 15.999 > 39 40 O 0.57230937211882 0.44228055974586 0.21413013128077 15.999 > 39 41 O 0.26121233817898 0.51328368186435 0.81906743351403 15.999 > 41 42 O 0.76121233817898 0.51328368186435 0.81906743351403 15.999 > 41 43 O 0.23878766182102 0.01328368186435 0.68093256648597 15.999 > 43 44 O 0.73878766182102 0.01328368186435 0.68093256648597 15.999 > 43 45 O 0.23878766182102 0.48671631813565 0.18093256648597 15.999 > 45 46 O 0.73878766182102 0.48671631813565 0.18093256648597 15.999 > 45 47 O 0.26121233817898 0.98671631813565 0.31906743351403 15.999 > 47 48 O 0.76121233817898 0.98671631813565 0.31906743351403 15.999 > 47 49 O 0.00497177723301 0.33777941229520 0.43475884314408 15.999 > 49 50 O 0.50497177723301 0.33777941229520 0.43475884314408 15.999 > 49 51 O 0.49502822276699 0.83777941229520 0.06524115685592 15.999 > 51 52 O 0.99502822276699 0.83777941229520 0.06524115685592 15.999 > 51 53 O 0.49502822276699 0.66222058770480 0.56524115685592 15.999 > 53 54 O 0.99502822276699 0.66222058770480 0.56524115685592 15.999 > 53 55 O 0.00497177723301 0.16222058770480 0.93475884314408 15.999 > 55 56 O 0.50497177723301 0.16222058770480 0.93475884314408 15.999 > 55 57 O 0.12004379806094 0.58730690010893 0.95979023842058 15.999 > 57 58 O 0.62004379806094 0.58730690010893 0.95979023842058 15.999 > 57 59 O 0.37995620193906 0.08730690010893 0.54020976157942 15.999 > 59 60 O 0.87995620193906 0.08730690010893 0.54020976157942 15.999 > 59 61 O 0.37995620193906 0.41269309989107 0.04020976157942 15.999 > 61 62 O 0.87995620193906 0.41269309989107 0.04020976157942 15.999 > 61 63 O 0.12004379806094 0.91269309989107 0.45979023842058 15.999 > 63 64 O 0.62004379806094 0.91269309989107 0.45979023842058 15.999 > 63 65 Ga 0.16150671086514 0.44428119332490 0.85984651828097 69.723 > 65 66 Ga 0.66150671086514 0.44428119332490 0.85984651828097 69.723 > 65 67 Ga 0.33849328913486 0.94428119332490 0.64015348171903 69.723 > 67 68 Ga 0.83849328913486 0.94428119332490 0.64015348171903 69.723 > 67 69 Ga 0.33849328913486 0.55571880667510 0.14015348171903 69.723 > 69 70 Ga 0.83849328913486 0.55571880667510 0.14015348171903 69.723 > 69 71 Ga 0.16150671086514 0.05571880667510 0.35984651828097 69.723 > 71 72 Ga 0.66150671086514 0.05571880667510 0.35984651828097 69.723 > 71 73 Ga 0.40209173302075 0.09412711511104 0.89032766683305 69.723 > 73 74 Ga 0.90209173302075 0.09412711511104 0.89032766683305 69.723 > 73 75 Ga 0.09790826697925 0.59412711511104 0.60967233316695 69.723 > 75 76 Ga 0.59790826697925 0.59412711511104 0.60967233316695 69.723 > 75 77 Ga 0.09790826697925 0.90587288488896 0.10967233316695 69.723 > 77 78 Ga 0.59790826697925 0.90587288488896 0.10967233316695 69.723 > 77 79 Ga 0.40209173302075 0.40587288488896 0.39032766683305 69.723 > 79 80 Ga 0.90209173302075 0.40587288488896 0.39032766683305 69.723 > 79 81 Ga 0.10293275058886 0.10795099716560 0.87925105007525 69.723 > 81 82 Ga 0.60293275058886 0.10795099716560 0.87925105007525 69.723 > 81 83 Ga 0.39706724941114 0.60795099716560 0.62074894992475 69.723 > 83 84 Ga 0.89706724941114 0.60795099716560 0.62074894992475 69.723 > 83 85 Ga 0.39706724941114 0.89204900283440 0.12074894992475 69.723 > 85 86 Ga 0.89706724941114 0.89204900283440 0.12074894992475 69.723 > 85 87 Ga 0.10293275058886 0.39204900283440 0.37925105007525 69.723 > 87 88 Ga 0.60293275058886 0.39204900283440 0.37925105007525 69.723 > 87 89 Ga 0.13927702054703 0.93549290127964 0.63003050619247 69.723 > 89 90 Ga 0.63927702054703 0.93549290127964 0.63003050619247 69.723 > 89 91 Ga 0.36072297945297 0.43549290127964 0.86996949380753 69.723 > 91 92 Ga 0.86072297945297 0.43549290127964 0.86996949380753 69.723 > 91 93 Ga 0.36072297945297 0.06450709872036 0.36996949380753 69.723 > 93 94 Ga 0.86072297945297 0.06450709872036 0.36996949380753 69.723 > 93 95 Ga 0.13927702054703 0.56450709872036 0.13003050619247 69.723 > 95 96 Ga 0.63927702054703 0.56450709872036 0.13003050619247 69.723 > 95 97 Sr 0.24804151552151 0.28824702404659 0.63123561604440 87.620 > 97 98 Sr 0.74804151552151 0.28824702404659 0.63123561604440 87.620 > 97 99 Sr 0.25195848447849 0.78824702404659 0.86876438395560 87.620 > 99 100 Sr 0.75195848447849 0.78824702404659 0.86876438395560 87.620 > 99 101 Sr 0.25195848447849 0.71175297595341 0.36876438395560 87.620 > 101 102 Sr 0.75195848447849 0.71175297595341 0.36876438395560 87.620 > 101 103 Sr 0.24804151552151 0.21175297595341 0.13123561604440 87.620 > 103 104 Sr 0.74804151552151 0.21175297595341 0.13123561604440 87.620 > 103 105 Sr 0.48177244862521 0.26348716478018 0.65125816347584 87.620 > 105 106 Sr 0.98177244862521 0.26348716478018 0.65125816347584 87.620 > 105 107 Sr 0.01822755137479 0.76348716478018 0.84874183652416 87.620 > 107 108 Sr 0.51822755137479 0.76348716478018 0.84874183652416 87.620 > 107 109 Sr 0.01822755137479 0.73651283521982 0.34874183652416 87.620 > 109 110 Sr 0.51822755137479 0.73651283521982 0.34874183652416 87.620 > 109 111 Sr 0.48177244862521 0.23651283521982 0.15125816347584 87.620 > 111 112 Sr 0.98177244862521 0.23651283521982 0.15125816347584 87.620 > 111 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.3577930 0.0000000 0.0095792 0.0000000 3.4621466 0.0000000 0.0095706 0.0000000 3.5064216 -------------------------- Born effective charges -------------------------- 1 O -1.6164115 -0.4727377 -0.2796246 -0.3663100 -2.4145211 0.1598304 -0.2333546 0.2023119 -1.7794343 2 O -1.6164115 0.4727377 -0.2796246 0.3663100 -2.4145211 -0.1598304 -0.2333546 -0.2023119 -1.7794343 3 O -1.6164115 -0.4727377 -0.2796246 -0.3663100 -2.4145211 0.1598304 -0.2333546 0.2023119 -1.7794343 4 O -1.6164115 0.4727377 -0.2796246 0.3663100 -2.4145211 -0.1598304 -0.2333546 -0.2023119 -1.7794343 5 O -1.7691612 0.0123394 -0.4591201 0.0405642 -1.9136729 0.2737191 -0.3760772 0.2701936 -2.1856487 6 O -1.7691612 -0.0123394 -0.4591201 -0.0405642 -1.9136729 -0.2737191 -0.3760772 -0.2701936 -2.1856487 7 O -1.7691612 0.0123394 -0.4591201 0.0405642 -1.9136729 0.2737191 -0.3760772 0.2701936 -2.1856487 8 O -1.7691612 -0.0123394 -0.4591201 -0.0405642 -1.9136729 -0.2737191 -0.3760772 -0.2701936 -2.1856487 9 O -1.7715047 0.1465687 0.2483551 0.1634587 -1.9926480 0.2324884 0.2186946 0.2759545 -2.1621735 10 O -1.7715047 -0.1465687 0.2483551 -0.1634587 -1.9926480 -0.2324884 0.2186946 -0.2759545 -2.1621735 11 O -1.7715047 0.1465687 0.2483551 0.1634587 -1.9926480 0.2324884 0.2186946 0.2759545 -2.1621735 12 O -1.7715047 -0.1465687 0.2483551 -0.1634587 -1.9926480 -0.2324884 0.2186946 -0.2759545 -2.1621735 13 O -1.6638873 0.4006932 -0.1656204 0.2581517 -2.3946330 0.0502618 -0.1094167 0.0625488 -1.8868226 14 O -1.6638873 -0.4006932 -0.1656204 -0.2581517 -2.3946330 -0.0502618 -0.1094167 -0.0625488 -1.8868226 15 O -1.6638873 0.4006932 -0.1656204 0.2581517 -2.3946330 0.0502618 -0.1094167 0.0625488 -1.8868226 16 O -1.6638873 -0.4006932 -0.1656204 -0.2581517 -2.3946330 -0.0502618 -0.1094167 -0.0625488 -1.8868226 17 O -1.7713906 0.4818781 0.3302776 0.4150088 -1.9243121 -0.2524982 0.0869008 -0.2602153 -2.1315855 18 O -1.7713906 -0.4818781 0.3302776 -0.4150088 -1.9243121 0.2524982 0.0869008 0.2602153 -2.1315855 19 O -1.7713906 0.4818781 0.3302776 0.4150088 -1.9243121 -0.2524982 0.0869008 -0.2602153 -2.1315855 20 O -1.7713906 -0.4818781 0.3302776 -0.4150088 -1.9243121 0.2524982 0.0869008 0.2602153 -2.1315855 21 O -2.5301373 0.0389478 0.0036509 0.0886142 -1.8302844 -0.0841839 0.0530452 -0.0868449 -1.4663209 22 O -2.5301373 -0.0389478 0.0036509 -0.0886142 -1.8302844 0.0841839 0.0530452 0.0868449 -1.4663209 23 O -2.5301373 0.0389478 0.0036509 0.0886142 -1.8302844 -0.0841839 0.0530452 -0.0868449 -1.4663209 24 O -2.5301373 -0.0389478 0.0036509 -0.0886142 -1.8302844 0.0841839 0.0530452 0.0868449 -1.4663209 25 O -2.5769910 -0.0317534 0.1591476 -0.0902460 -1.4007553 0.1067661 0.1584686 0.1022162 -1.9009166 26 O -2.5769910 0.0317534 0.1591476 0.0902460 -1.4007553 -0.1067661 0.1584686 -0.1022162 -1.9009166 27 O -2.5769910 -0.0317534 0.1591476 -0.0902460 -1.4007553 0.1067661 0.1584686 0.1022162 -1.9009166 28 O -2.5769910 0.0317534 0.1591476 0.0902460 -1.4007553 -0.1067661 0.1584686 -0.1022162 -1.9009166 29 O -1.5256435 0.3625071 0.0484213 0.3402702 -1.7950855 -0.1899181 0.0880799 -0.1663685 -2.4681565 30 O -1.5256435 -0.3625071 0.0484213 -0.3402702 -1.7950855 0.1899181 0.0880799 0.1663685 -2.4681565 31 O -1.5256435 0.3625071 0.0484213 0.3402702 -1.7950855 -0.1899181 0.0880799 -0.1663685 -2.4681565 32 O -1.5256435 -0.3625071 0.0484213 -0.3402702 -1.7950855 0.1899181 0.0880799 0.1663685 -2.4681565 33 Ga 2.4563351 0.2616981 -0.0177706 -0.1975772 2.7250118 -0.1768932 0.0226021 0.2356914 2.7321003 34 Ga 2.4563351 -0.2616981 -0.0177706 0.1975772 2.7250118 0.1768932 0.0226021 -0.2356914 2.7321003 35 Ga 2.4563351 0.2616981 -0.0177706 -0.1975772 2.7250118 -0.1768932 0.0226021 0.2356914 2.7321003 36 Ga 2.4563351 -0.2616981 -0.0177706 0.1975772 2.7250118 0.1768932 0.0226021 -0.2356914 2.7321003 37 Ga 2.4848124 0.1603491 0.2999998 -0.0073269 2.6660793 -0.2861463 0.0066271 0.0962039 2.7985621 38 Ga 2.4848124 -0.1603491 0.2999998 0.0073269 2.6660793 0.2861463 0.0066271 -0.0962039 2.7985621 39 Ga 2.4848124 0.1603491 0.2999998 -0.0073269 2.6660793 -0.2861463 0.0066271 0.0962039 2.7985621 40 Ga 2.4848124 -0.1603491 0.2999998 0.0073269 2.6660793 0.2861463 0.0066271 -0.0962039 2.7985621 41 Ga 2.6134213 0.0697710 -0.2352725 0.2948768 2.7235784 0.1434525 0.1108154 -0.1124390 2.6065429 42 Ga 2.6134213 -0.0697710 -0.2352725 -0.2948768 2.7235784 -0.1434525 0.1108154 0.1124390 2.6065429 43 Ga 2.6134213 0.0697710 -0.2352725 0.2948768 2.7235784 0.1434525 0.1108154 -0.1124390 2.6065429 44 Ga 2.6134213 -0.0697710 -0.2352725 -0.2948768 2.7235784 -0.1434525 0.1108154 0.1124390 2.6065429 45 Ga 2.5266370 0.2052387 -0.1688692 -0.0581425 2.6605238 -0.0836161 -0.2657764 0.2613409 2.8462312 46 Ga 2.5266370 -0.2052387 -0.1688692 0.0581425 2.6605238 0.0836161 -0.2657764 -0.2613409 2.8462312 47 Ga 2.5266370 0.2052387 -0.1688692 -0.0581425 2.6605238 -0.0836161 -0.2657764 0.2613409 2.8462312 48 Ga 2.5266370 -0.2052387 -0.1688692 0.0581425 2.6605238 0.0836161 -0.2657764 -0.2613409 2.8462312 49 Sr 2.5591986 0.0869282 0.1745703 0.0218715 2.4418593 0.0176455 0.1307053 0.0665137 2.5271809 50 Sr 2.5591986 -0.0869282 0.1745703 -0.0218715 2.4418593 -0.0176455 0.1307053 -0.0665137 2.5271809 51 Sr 2.5591986 0.0869282 0.1745703 0.0218715 2.4418593 0.0176455 0.1307053 0.0665137 2.5271809 52 Sr 2.5591986 -0.0869282 0.1745703 -0.0218715 2.4418593 -0.0176455 0.1307053 -0.0665137 2.5271809 53 Sr 2.5847226 0.0425960 0.0618546 0.0764300 2.4488597 -0.2762402 0.1086859 -0.2301860 2.4704412 54 Sr 2.5847226 -0.0425960 0.0618546 -0.0764300 2.4488597 0.2762402 0.1086859 0.2301860 2.4704412 55 Sr 2.5847226 0.0425960 0.0618546 0.0764300 2.4488597 -0.2762402 0.1086859 -0.2301860 2.4704412 56 Sr 2.5847226 -0.0425960 0.0618546 -0.0764300 2.4488597 0.2762402 0.1086859 0.2301860 2.4704412 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) 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 ... [ 6 6 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: 0.45, Number of G-points: 303, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/64) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 64 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 1.443 ( 0.000 0.000 0.000) 0.000 1.576 ( 0.000 0.000 0.000) 0.000 1.708 ( 0.000 0.000 0.000) 0.000 1.900 ( 0.000 0.000 0.000) 0.000 1.918 ( 0.000 0.000 0.000) 0.000 1.968 ( 0.000 0.000 0.000) 0.000 2.124 ( 0.000 0.000 0.000) 0.000 2.224 ( 0.000 0.000 0.000) 0.000 2.331 ( 0.000 0.000 0.000) 0.000 2.451 ( 0.000 0.000 0.000) 0.000 2.471 ( 0.000 0.000 0.000) 0.000 2.558 ( 0.000 0.000 0.000) 0.000 2.590 ( 0.000 0.000 0.000) 0.000 2.835 ( 0.000 0.000 0.000) 0.000 2.867 ( 0.000 0.000 0.000) 0.000 2.964 ( 0.000 0.000 0.000) 0.000 3.086 ( 0.000 0.000 0.000) 0.000 3.112 ( 0.000 0.000 0.000) 0.000 3.157 ( 0.000 0.000 0.000) 0.000 3.163 ( 0.000 0.000 0.000) 0.000 3.315 ( 0.000 0.000 0.000) 0.000 3.321 ( 0.000 0.000 0.000) 0.000 3.332 ( 0.000 0.000 0.000) 0.000 3.380 ( 0.000 0.000 0.000) 0.000 3.460 ( 0.000 0.000 0.000) 0.000 3.473 ( 0.000 0.000 0.000) 0.000 3.508 ( 0.000 0.000 0.000) 0.000 3.569 ( 0.000 0.000 0.000) 0.000 3.586 ( 0.000 0.000 0.000) 0.000 3.605 ( 0.000 0.000 0.000) 0.000 3.721 ( 0.000 0.000 0.000) 0.000 3.861 ( 0.000 0.000 0.000) 0.000 3.864 ( 0.000 0.000 0.000) 0.000 3.881 ( 0.000 0.000 0.000) 0.000 4.014 ( 0.000 0.000 0.000) 0.000 4.018 ( 0.000 0.000 0.000) 0.000 4.082 ( 0.000 0.000 0.000) 0.000 4.085 ( 0.000 0.000 0.000) 0.000 4.102 ( 0.000 0.000 0.000) 0.000 4.197 ( 0.000 0.000 0.000) 0.000 4.423 ( 0.000 0.000 0.000) 0.000 4.540 ( 0.000 0.000 0.000) 0.000 4.703 ( 0.000 0.000 0.000) 0.000 4.730 ( 0.000 0.000 0.000) 0.000 4.794 ( 0.000 0.000 0.000) 0.000 4.920 ( 0.000 0.000 0.000) 0.000 5.025 ( 0.000 0.000 0.000) 0.000 5.102 ( 0.000 0.000 0.000) 0.000 5.142 ( 0.000 0.000 0.000) 0.000 5.208 ( 0.000 0.000 0.000) 0.000 5.225 ( 0.000 0.000 0.000) 0.000 5.336 ( 0.000 0.000 0.000) 0.000 5.436 ( 0.000 0.000 0.000) 0.000 5.452 ( 0.000 0.000 0.000) 0.000 5.463 ( 0.000 0.000 0.000) 0.000 5.720 ( 0.000 0.000 0.000) 0.000 5.797 ( 0.000 0.000 0.000) 0.000 5.886 ( 0.000 0.000 0.000) 0.000 5.964 ( 0.000 0.000 0.000) 0.000 6.024 ( 0.000 0.000 0.000) 0.000 6.035 ( 0.000 0.000 0.000) 0.000 6.064 ( 0.000 0.000 0.000) 0.000 6.205 ( 0.000 0.000 0.000) 0.000 6.229 ( 0.000 0.000 0.000) 0.000 6.415 ( 0.000 0.000 0.000) 0.000 6.420 ( 0.000 0.000 0.000) 0.000 6.455 ( 0.000 0.000 0.000) 0.000 6.537 ( 0.000 0.000 0.000) 0.000 6.572 ( 0.000 0.000 0.000) 0.000 6.827 ( 0.000 0.000 0.000) 0.000 6.878 ( 0.000 0.000 0.000) 0.000 7.009 ( 0.000 0.000 0.000) 0.000 7.076 ( 0.000 0.000 0.000) 0.000 7.169 ( 0.000 0.000 0.000) 0.000 7.238 ( 0.000 0.000 0.000) 0.000 7.263 ( 0.000 0.000 0.000) 0.000 7.294 ( 0.000 0.000 0.000) 0.000 7.338 ( 0.000 0.000 0.000) 0.000 7.479 ( 0.000 0.000 0.000) 0.000 7.480 ( 0.000 0.000 0.000) 0.000 7.480 ( 0.000 0.000 0.000) 0.000 7.520 ( 0.000 0.000 0.000) 0.000 7.817 ( 0.000 0.000 0.000) 0.000 7.872 ( 0.000 0.000 0.000) 0.000 7.965 ( 0.000 0.000 0.000) 0.000 7.993 ( 0.000 0.000 0.000) 0.000 8.102 ( 0.000 0.000 0.000) 0.000 8.370 ( 0.000 0.000 0.000) 0.000 8.391 ( 0.000 0.000 0.000) 0.000 8.399 ( 0.000 0.000 0.000) 0.000 8.577 ( 0.000 0.000 0.000) 0.000 8.708 ( 0.000 0.000 0.000) 0.000 9.048 ( 0.000 0.000 0.000) 0.000 9.154 ( 0.000 0.000 0.000) 0.000 9.329 ( 0.000 0.000 0.000) 0.000 9.451 ( 0.000 0.000 0.000) 0.000 9.804 ( 0.000 0.000 0.000) 0.000 9.950 ( 0.000 0.000 0.000) 0.000 10.304 ( 0.000 0.000 0.000) 0.000 10.344 ( 0.000 0.000 0.000) 0.000 10.555 ( 0.000 0.000 0.000) 0.000 12.947 ( 0.000 0.000 0.000) 0.000 12.965 ( 0.000 0.000 0.000) 0.000 13.048 ( 0.000 0.000 0.000) 0.000 13.085 ( 0.000 0.000 0.000) 0.000 13.230 ( 0.000 0.000 0.000) 0.000 13.235 ( 0.000 0.000 0.000) 0.000 13.307 ( 0.000 0.000 0.000) 0.000 13.407 ( 0.000 0.000 0.000) 0.000 13.860 ( 0.000 0.000 0.000) 0.000 14.062 ( 0.000 0.000 0.000) 0.000 14.200 ( 0.000 0.000 0.000) 0.000 14.302 ( 0.000 0.000 0.000) 0.000 14.422 ( 0.000 0.000 0.000) 0.000 14.642 ( 0.000 0.000 0.000) 0.000 14.653 ( 0.000 0.000 0.000) 0.000 14.667 ( 0.000 0.000 0.000) 0.000 14.719 ( 0.000 0.000 0.000) 0.000 14.861 ( 0.000 0.000 0.000) 0.000 14.891 ( 0.000 0.000 0.000) 0.000 15.037 ( 0.000 0.000 0.000) 0.000 15.189 ( 0.000 0.000 0.000) 0.000 15.300 ( 0.000 0.000 0.000) 0.000 15.311 ( 0.000 0.000 0.000) 0.000 15.564 ( 0.000 0.000 0.000) 0.000 15.638 ( 0.000 0.000 0.000) 0.000 15.767 ( 0.000 0.000 0.000) 0.000 15.785 ( 0.000 0.000 0.000) 0.000 15.800 ( 0.000 0.000 0.000) 0.000 16.558 ( 0.000 0.000 0.000) 0.000 16.902 ( 0.000 0.000 0.000) 0.000 16.911 ( 0.000 0.000 0.000) 0.000 17.108 ( 0.000 0.000 0.000) 0.000 18.238 ( 0.000 0.000 0.000) 0.000 18.290 ( 0.000 0.000 0.000) 0.000 18.294 ( 0.000 0.000 0.000) 0.000 18.479 ( 0.000 0.000 0.000) 0.000 18.655 ( 0.000 0.000 0.000) 0.000 18.678 ( 0.000 0.000 0.000) 0.000 18.696 ( 0.000 0.000 0.000) 0.000 18.968 ( 0.000 0.000 0.000) 0.000 19.011 ( 0.000 0.000 0.000) 0.000 19.060 ( 0.000 0.000 0.000) 0.000 19.177 ( 0.000 0.000 0.000) 0.000 19.374 ( 0.000 0.000 0.000) 0.000 19.560 ( 0.000 0.000 0.000) 0.000 19.683 ( 0.000 0.000 0.000) 0.000 19.702 ( 0.000 0.000 0.000) 0.000 19.952 ( 0.000 0.000 0.000) 0.000 20.040 ( 0.000 0.000 0.000) 0.000 20.699 ( 0.000 0.000 0.000) 0.000 20.902 ( 0.000 0.000 0.000) 0.000 20.949 ( 0.000 0.000 0.000) 0.000 21.248 ( 0.000 0.000 0.000) 0.000 21.401 ( 0.000 0.000 0.000) 0.000 21.458 ( 0.000 0.000 0.000) 0.000 21.590 ( 0.000 0.000 0.000) 0.000 21.788 ( 0.000 0.000 0.000) 0.000 21.861 ( 0.000 0.000 0.000) 0.000 21.924 ( 0.000 0.000 0.000) 0.000 21.968 ( 0.000 0.000 0.000) 0.000 21.978 ( 0.000 0.000 0.000) 0.000 21.990 ( 0.000 0.000 0.000) 0.000 22.113 ( 0.000 0.000 0.000) 0.000 22.196 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/64) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.534 ( 25.659 0.000 7.675) 26.782 0.559 ( 26.804 0.000 11.910) 29.331 0.949 ( 45.492 0.000 5.142) 45.781 1.422 ( 0.222 0.000 -3.676) 3.683 1.625 ( 3.522 0.000 -4.305) 5.562 1.698 ( -0.879 0.000 2.536) 2.684 1.908 ( -0.260 0.000 -2.670) 2.683 1.971 ( 4.030 0.000 -0.539) 4.066 2.026 ( 4.818 0.000 -2.088) 5.251 2.140 ( 0.230 0.000 -3.569) 3.577 2.257 ( 0.848 0.000 5.197) 5.266 2.354 ( 1.249 0.000 -4.397) 4.571 2.439 ( -1.524 0.000 4.376) 4.634 2.539 ( 0.109 0.000 -1.809) 1.812 2.604 ( 0.255 0.000 -2.935) 2.946 2.626 ( 1.403 0.000 -5.873) 6.038 2.784 ( -4.652 0.000 -5.084) 6.892 2.847 ( -3.392 0.000 5.221) 6.226 2.949 ( -0.714 0.000 4.140) 4.201 3.058 ( -2.929 0.000 -4.676) 5.517 3.078 ( -3.125 0.000 -0.542) 3.172 3.122 ( -12.183 0.000 3.621) 12.710 3.135 ( -0.557 0.000 -0.691) 0.887 3.229 ( 1.832 0.000 5.375) 5.679 3.269 ( -2.003 0.000 3.494) 4.027 3.281 ( -6.381 0.000 -0.979) 6.456 3.318 ( -0.484 0.000 -2.916) 2.956 3.445 ( -4.216 0.000 -4.641) 6.270 3.459 ( 0.111 0.000 -4.966) 4.967 3.547 ( 1.328 0.000 -3.858) 4.080 3.555 ( -0.930 0.000 -1.618) 1.866 3.652 ( 6.055 0.000 1.473) 6.232 3.671 ( -0.731 0.000 2.269) 2.384 3.772 ( 6.164 0.000 -1.191) 6.278 3.816 ( -5.667 0.000 0.706) 5.711 3.869 ( -5.523 0.000 1.203) 5.653 3.958 ( 1.198 0.000 1.816) 2.176 4.004 ( -0.760 0.000 -0.659) 1.005 4.063 ( 0.808 0.000 -0.606) 1.010 4.119 ( 1.748 0.000 2.283) 2.875 4.157 ( 2.933 0.000 -5.797) 6.497 4.198 ( 3.886 0.000 4.561) 5.992 4.202 ( 4.523 0.000 -4.978) 6.726 4.409 ( -0.395 0.000 0.143) 0.420 4.597 ( 3.893 0.000 1.556) 4.192 4.683 ( -1.548 0.000 -3.269) 3.617 4.688 ( -2.515 0.000 0.504) 2.565 4.844 ( -7.065 0.000 3.925) 8.082 4.862 ( -4.516 0.000 -5.394) 7.035 4.975 ( -7.091 0.000 5.765) 9.139 5.004 ( -9.704 0.000 -3.907) 10.461 5.076 ( 1.994 0.000 4.706) 5.111 5.262 ( 5.679 0.000 2.603) 6.247 5.271 ( 1.792 0.000 1.013) 2.059 5.311 ( -2.007 0.000 -4.647) 5.062 5.441 ( 1.287 0.000 0.110) 1.292 5.443 ( -0.439 0.000 -3.539) 3.566 5.485 ( -0.621 0.000 2.907) 2.973 5.769 ( 3.554 0.000 1.658) 3.922 5.810 ( 1.046 0.000 -1.928) 2.193 5.865 ( -1.325 0.000 0.422) 1.391 5.974 ( -2.872 0.000 7.356) 7.897 6.047 ( -0.216 0.000 -0.521) 0.564 6.050 ( -1.139 0.000 3.070) 3.274 6.113 ( 8.642 0.000 -1.477) 8.768 6.130 ( -5.888 0.000 -4.208) 7.237 6.366 ( -1.297 0.000 -7.628) 7.738 6.419 ( -0.734 0.000 4.289) 4.352 6.441 ( 1.473 0.000 -0.448) 1.540 6.490 ( 1.726 0.000 -0.973) 1.981 6.576 ( -0.441 0.000 1.116) 1.200 6.645 ( 7.634 0.000 6.155) 9.806 6.800 ( -0.788 0.000 -6.453) 6.501 6.957 ( -3.584 0.000 -1.781) 4.002 7.027 ( -4.327 0.000 4.012) 5.901 7.081 ( 0.568 0.000 9.492) 9.509 7.167 ( 1.254 0.000 -5.599) 5.737 7.241 ( -0.334 0.000 0.690) 0.766 7.278 ( 0.865 0.000 1.229) 1.503 7.314 ( -1.797 0.000 -0.280) 1.819 7.353 ( 4.104 0.000 -1.289) 4.301 7.385 ( -2.736 0.000 -4.646) 5.392 7.515 ( -0.536 0.000 -1.866) 1.942 7.527 ( -2.088 0.000 12.815) 12.984 7.605 ( 0.924 0.000 3.769) 3.880 7.761 ( 0.270 0.000 3.912) 3.922 7.857 ( 0.605 0.000 -4.789) 4.827 7.941 ( -0.671 0.000 0.396) 0.779 8.160 ( 3.507 0.000 1.076) 3.668 8.208 ( -2.602 0.000 6.522) 7.022 8.366 ( -2.329 0.000 -1.429) 2.733 8.463 ( 4.491 0.000 6.074) 7.554 8.551 ( 6.887 0.000 -8.174) 10.689 8.569 ( 1.228 0.000 -7.329) 7.431 8.740 ( 2.676 0.000 -2.337) 3.553 9.043 ( -0.371 0.000 -0.401) 0.546 9.197 ( 4.770 0.000 3.840) 6.124 9.457 ( 0.855 0.000 -5.926) 5.988 9.564 ( -0.667 0.000 -2.007) 2.115 9.973 ( 0.976 0.000 1.917) 2.151 10.293 ( -0.859 0.000 -3.492) 3.596 10.309 ( -2.173 0.000 1.825) 2.838 10.420 ( 3.071 0.000 -48.942) 49.038 10.567 ( 0.814 0.000 -2.466) 2.597 12.908 ( -4.406 0.000 1.431) 4.632 12.953 ( 0.756 0.000 -0.961) 1.223 13.081 ( 2.040 0.000 2.551) 3.267 13.121 ( 2.592 0.000 -1.541) 3.016 13.207 ( -2.473 0.000 2.383) 3.434 13.268 ( -2.579 0.000 -1.039) 2.780 13.332 ( -2.393 0.000 4.877) 5.432 13.425 ( 0.442 0.000 1.029) 1.120 13.909 ( 4.758 0.000 -0.149) 4.760 14.087 ( 2.535 0.000 -0.525) 2.589 14.178 ( -1.512 0.000 -2.154) 2.631 14.276 ( -2.273 0.000 0.737) 2.390 14.407 ( -1.787 0.000 0.054) 1.788 14.663 ( 1.603 0.000 4.390) 4.673 14.664 ( 1.166 0.000 0.523) 1.278 14.709 ( 3.395 0.000 -2.504) 4.218 14.810 ( -1.719 0.000 4.683) 4.988 14.876 ( 0.655 0.000 0.533) 0.844 14.982 ( -4.799 0.000 -3.534) 5.960 15.154 ( -1.637 0.000 13.511) 13.610 15.178 ( -0.942 0.000 0.594) 1.113 15.270 ( -2.418 0.000 -0.654) 2.505 15.442 ( -5.908 0.000 -2.948) 6.603 15.501 ( -7.654 0.000 -2.681) 8.110 15.817 ( 3.461 0.000 7.836) 8.567 15.841 ( 5.825 0.000 5.889) 8.283 16.003 ( 12.620 0.000 3.149) 13.007 16.054 ( 1.771 0.000 47.924) 47.957 16.560 ( 0.719 0.000 -3.706) 3.775 16.831 ( -5.918 0.000 -5.990) 8.421 17.009 ( -4.657 0.000 5.235) 7.006 17.088 ( -2.436 0.000 0.696) 2.534 18.240 ( 0.127 0.000 1.037) 1.044 18.290 ( 0.097 0.000 -1.125) 1.130 18.316 ( 0.530 0.000 -7.117) 7.137 18.470 ( -1.098 0.000 -0.883) 1.410 18.679 ( 2.533 0.000 0.177) 2.539 18.698 ( 0.135 0.000 0.734) 0.747 18.795 ( -0.146 0.000 -1.864) 1.870 18.971 ( 0.265 0.000 -0.692) 0.741 19.022 ( 0.955 0.000 0.756) 1.218 19.167 ( -1.220 0.000 -0.169) 1.232 19.313 ( -5.159 0.000 2.003) 5.534 19.551 ( -0.901 0.000 -0.067) 0.904 19.603 ( -1.721 0.000 3.003) 3.461 19.863 ( 8.830 0.000 -1.502) 8.957 19.870 ( 2.306 0.000 -31.663) 31.747 19.952 ( -0.104 0.000 0.546) 0.555 20.534 ( -0.569 0.000 1.221) 1.347 20.645 ( -4.255 0.000 1.039) 4.380 20.937 ( -1.830 0.000 -1.366) 2.283 21.143 ( -3.860 0.000 6.375) 7.453 21.293 ( 2.399 0.000 0.441) 2.439 21.385 ( -1.370 0.000 0.556) 1.479 21.489 ( -0.653 0.000 -4.966) 5.009 21.528 ( -5.059 0.000 0.434) 5.078 21.809 ( 2.338 0.000 -0.347) 2.363 21.840 ( -0.807 0.000 0.542) 0.971 21.964 ( -0.383 0.000 -0.249) 0.457 21.965 ( -0.244 0.000 0.069) 0.253 22.052 ( 4.567 0.000 1.070) 4.691 22.053 ( 4.773 0.000 -0.084) 4.774 22.236 ( 3.505 0.000 -0.544) 3.547 22.497 ( -1.117 0.000 -2.311) 2.567 ======================= Grid point 2 (3/64) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( 21.146 0.000 8.489) 22.786 1.091 ( 24.478 0.000 12.343) 27.414 1.464 ( 4.266 0.000 -7.853) 8.937 1.682 ( -0.662 0.000 2.650) 2.731 1.698 ( 3.910 0.000 -4.463) 5.933 1.766 ( 33.244 0.000 -1.872) 33.296 1.855 ( -5.433 0.000 -5.401) 7.661 1.969 ( -9.817 0.000 -5.140) 11.082 2.033 ( 0.353 0.000 -1.368) 1.413 2.200 ( 5.059 0.000 0.563) 5.091 2.321 ( -2.944 0.000 -6.400) 7.045 2.359 ( 8.640 0.000 8.786) 12.322 2.388 ( -3.020 0.000 8.634) 9.147 2.569 ( -2.192 0.000 7.568) 7.879 2.588 ( -1.288 0.000 -5.135) 5.294 2.659 ( 2.622 0.000 -3.430) 4.317 2.685 ( 0.521 0.000 -4.323) 4.354 2.793 ( -5.552 0.000 2.214) 5.977 2.852 ( -4.063 0.000 0.591) 4.105 2.934 ( -6.220 0.000 -9.202) 11.107 3.032 ( -1.345 0.000 -0.284) 1.375 3.050 ( 2.515 0.000 6.840) 7.288 3.097 ( -1.245 0.000 1.975) 2.335 3.148 ( -6.403 0.000 -2.835) 7.003 3.266 ( 1.624 0.000 2.759) 3.202 3.296 ( 3.299 0.000 1.706) 3.714 3.355 ( 3.273 0.000 0.624) 3.332 3.410 ( -0.221 0.000 0.965) 0.990 3.440 ( -2.837 0.000 -4.604) 5.409 3.501 ( -2.013 0.000 -2.391) 3.125 3.571 ( -0.070 0.000 0.118) 0.137 3.634 ( -5.013 0.000 5.510) 7.449 3.654 ( -4.739 0.000 -0.540) 4.769 3.685 ( -5.821 0.000 -5.290) 7.866 3.807 ( 4.355 0.000 3.859) 5.819 3.841 ( -3.627 0.000 1.932) 4.110 3.927 ( -3.194 0.000 0.454) 3.226 4.024 ( -0.862 0.000 -1.211) 1.486 4.025 ( -2.664 0.000 -2.796) 3.862 4.157 ( -6.637 0.000 1.853) 6.890 4.200 ( 6.410 0.000 1.398) 6.560 4.254 ( 6.806 0.000 -4.648) 8.242 4.337 ( 5.715 0.000 4.561) 7.312 4.388 ( -2.181 0.000 -4.828) 5.298 4.563 ( -8.139 0.000 -1.549) 8.285 4.565 ( -6.676 0.000 4.415) 8.004 4.692 ( 0.799 0.000 -1.305) 1.530 4.718 ( 3.848 0.000 -0.673) 3.906 4.813 ( 0.388 0.000 -5.009) 5.024 4.887 ( -3.496 0.000 4.364) 5.592 4.897 ( -4.029 0.000 -5.598) 6.897 5.164 ( 5.417 0.000 2.066) 5.797 5.280 ( -0.182 0.000 -5.895) 5.898 5.300 ( 0.316 0.000 3.834) 3.847 5.328 ( 0.522 0.000 4.616) 4.646 5.427 ( -0.651 0.000 -7.343) 7.372 5.465 ( -0.993 0.000 0.406) 1.072 5.487 ( 2.919 0.000 2.509) 3.849 5.808 ( -1.664 0.000 2.252) 2.800 5.819 ( -3.938 0.000 -0.430) 3.961 5.824 ( 1.387 0.000 2.749) 3.079 5.908 ( -6.316 0.000 1.520) 6.497 5.950 ( 0.495 0.000 8.605) 8.619 6.060 ( -1.186 0.000 -5.322) 5.452 6.170 ( 7.623 0.000 -1.225) 7.721 6.247 ( 1.434 0.000 -2.638) 3.003 6.336 ( 2.326 0.000 -5.803) 6.252 6.391 ( -2.265 0.000 7.849) 8.170 6.440 ( -1.732 0.000 -0.556) 1.819 6.545 ( -2.081 0.000 -4.483) 4.943 6.548 ( 3.999 0.000 -3.048) 5.029 6.736 ( -1.340 0.000 0.907) 1.618 6.820 ( 2.789 0.000 -2.419) 3.692 6.940 ( 3.313 0.000 0.622) 3.371 6.954 ( -2.798 0.000 2.715) 3.898 7.091 ( -0.715 0.000 6.719) 6.757 7.210 ( 2.338 0.000 1.090) 2.579 7.222 ( -0.934 0.000 -0.926) 1.315 7.287 ( -0.947 0.000 -0.008) 0.947 7.313 ( 3.231 0.000 0.805) 3.330 7.342 ( -1.142 0.000 -2.799) 3.023 7.416 ( 1.253 0.000 0.583) 1.382 7.461 ( -3.736 0.000 -0.229) 3.743 7.518 ( -5.512 0.000 3.038) 6.294 7.524 ( 0.559 0.000 1.372) 1.481 7.860 ( 0.594 0.000 -1.985) 2.072 7.893 ( 6.713 0.000 2.505) 7.165 7.974 ( 3.235 0.000 1.015) 3.391 8.136 ( -3.933 0.000 1.362) 4.162 8.234 ( 3.918 0.000 2.186) 4.487 8.293 ( -4.450 0.000 -2.536) 5.122 8.450 ( -3.442 0.000 -1.901) 3.932 8.644 ( 3.691 0.000 2.520) 4.470 8.690 ( 6.322 0.000 -1.676) 6.540 8.765 ( 0.121 0.000 -7.039) 7.041 9.036 ( -0.204 0.000 -0.196) 0.283 9.373 ( 11.369 0.000 5.894) 12.806 9.461 ( 0.523 0.000 -9.710) 9.724 9.550 ( -0.943 0.000 7.186) 7.247 9.917 ( -7.212 0.000 -1.814) 7.437 10.267 ( -1.000 0.000 -3.297) 3.445 10.333 ( 4.083 0.000 5.975) 7.237 10.413 ( 0.708 0.000 -14.322) 14.340 10.564 ( -0.840 0.000 -4.239) 4.321 12.829 ( -3.208 0.000 0.848) 3.318 12.979 ( 2.080 0.000 -1.802) 2.752 13.126 ( -0.704 0.000 3.176) 3.253 13.155 ( 0.264 0.000 -0.449) 0.521 13.155 ( 0.086 0.000 0.089) 0.124 13.243 ( 0.972 0.000 -0.485) 1.086 13.282 ( -2.857 0.000 0.490) 2.899 13.400 ( -2.891 0.000 0.016) 2.891 14.038 ( 7.722 0.000 -0.045) 7.722 14.131 ( -0.198 0.000 1.976) 1.986 14.179 ( 3.643 0.000 -4.574) 5.847 14.234 ( -1.475 0.000 1.529) 2.124 14.339 ( -5.150 0.000 -0.108) 5.151 14.685 ( -1.360 0.000 3.534) 3.786 14.701 ( 2.388 0.000 0.387) 2.419 14.764 ( 2.459 0.000 -2.107) 3.239 14.786 ( -1.313 0.000 1.941) 2.343 14.876 ( -3.864 0.000 -3.727) 5.369 14.879 ( -0.380 0.000 -0.563) 0.679 15.136 ( -1.285 0.000 5.189) 5.346 15.162 ( -0.562 0.000 0.408) 0.695 15.237 ( 0.067 0.000 -0.731) 0.734 15.328 ( -4.500 0.000 -0.304) 4.510 15.371 ( -5.388 0.000 -0.243) 5.393 15.898 ( 3.105 0.000 6.682) 7.368 15.987 ( 6.904 0.000 6.219) 9.292 16.148 ( 2.605 0.000 12.097) 12.374 16.243 ( 10.011 0.000 2.311) 10.274 16.594 ( 3.774 0.000 -5.377) 6.569 16.688 ( -6.389 0.000 -6.836) 9.357 16.893 ( -7.159 0.000 4.560) 8.488 17.012 ( -4.745 0.000 -0.121) 4.746 18.245 ( 0.137 0.000 1.078) 1.087 18.295 ( 0.599 0.000 -1.390) 1.514 18.317 ( 0.227 0.000 -2.990) 2.999 18.432 ( -2.282 0.000 -0.500) 2.336 18.702 ( 0.119 0.000 0.783) 0.792 18.756 ( 4.771 0.000 0.440) 4.791 18.789 ( -0.130 0.000 -1.434) 1.439 18.968 ( -0.740 0.000 -1.816) 1.961 19.045 ( 1.015 0.000 0.724) 1.247 19.112 ( -3.960 0.000 1.245) 4.151 19.238 ( -1.926 0.000 1.594) 2.500 19.530 ( -0.997 0.000 -0.091) 1.001 19.602 ( 0.611 0.000 1.759) 1.862 19.872 ( 0.872 0.000 -10.623) 10.659 19.950 ( -0.133 0.000 0.613) 0.627 20.009 ( 5.307 0.000 -0.551) 5.336 20.522 ( -0.566 0.000 -0.172) 0.591 20.581 ( -1.598 0.000 1.637) 2.288 20.866 ( -4.456 0.000 -2.089) 4.921 21.089 ( -2.015 0.000 2.853) 3.493 21.337 ( 2.180 0.000 0.441) 2.224 21.364 ( -0.450 0.000 -0.499) 0.672 21.433 ( -4.045 0.000 1.391) 4.278 21.449 ( -2.708 0.000 -1.661) 3.177 21.849 ( 1.321 0.000 0.552) 1.432 21.868 ( 3.039 0.000 0.786) 3.139 21.951 ( -0.925 0.000 -0.838) 1.248 21.958 ( -0.482 0.000 -0.837) 0.966 22.133 ( 2.999 0.000 0.418) 3.028 22.146 ( 4.053 0.000 -0.630) 4.102 22.307 ( 3.088 0.000 -0.202) 3.094 22.464 ( -1.772 0.000 -0.463) 1.832 ======================= Grid point 3 (4/64) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( 0.000 0.000 0.000) 0.000 1.481 ( -0.000 0.000 0.000) 0.000 1.599 ( 0.000 0.000 0.000) 0.000 1.603 ( -0.000 0.000 -0.000) 0.000 1.657 ( 0.000 0.000 -0.000) 0.000 1.715 ( 0.000 0.000 -0.000) 0.000 1.841 ( 0.000 0.000 0.000) 0.000 2.014 ( 0.000 0.000 -0.000) 0.000 2.152 ( 0.000 0.000 -0.000) 0.000 2.239 ( 0.000 0.000 0.000) 0.000 2.273 ( 0.000 0.000 -0.000) 0.000 2.397 ( -0.000 0.000 -0.000) 0.000 2.481 ( 0.000 0.000 -0.000) 0.000 2.491 ( 0.000 0.000 -0.000) 0.000 2.585 ( 0.000 0.000 -0.000) 0.000 2.653 ( 0.000 0.000 0.000) 0.000 2.720 ( 0.000 0.000 -0.000) 0.000 2.730 ( 0.000 0.000 0.000) 0.000 2.874 ( 0.000 0.000 -0.000) 0.000 2.930 ( 0.000 0.000 0.000) 0.000 2.994 ( -0.000 0.000 -0.000) 0.000 3.021 ( 0.000 0.000 -0.000) 0.000 3.090 ( 0.000 0.000 -0.000) 0.000 3.110 ( 0.000 0.000 -0.000) 0.000 3.319 ( 0.000 0.000 -0.000) 0.000 3.329 ( 0.000 0.000 -0.000) 0.000 3.348 ( 0.000 0.000 -0.000) 0.000 3.377 ( -0.000 0.000 0.000) 0.000 3.397 ( 0.000 0.000 0.000) 0.000 3.557 ( -0.000 0.000 -0.000) 0.000 3.561 ( 0.000 0.000 0.000) 0.000 3.563 ( 0.000 0.000 -0.000) 0.000 3.604 ( 0.000 0.000 -0.000) 0.000 3.610 ( 0.000 0.000 0.000) 0.000 3.698 ( 0.000 0.000 -0.000) 0.000 3.878 ( 0.000 0.000 0.000) 0.000 3.895 ( 0.000 0.000 0.000) 0.000 3.957 ( 0.000 0.000 -0.000) 0.000 4.021 ( 0.000 0.000 0.000) 0.000 4.058 ( 0.000 0.000 -0.000) 0.000 4.316 ( 0.000 0.000 0.000) 0.000 4.355 ( -0.000 0.000 0.000) 0.000 4.408 ( 0.000 0.000 -0.000) 0.000 4.413 ( 0.000 0.000 0.000) 0.000 4.439 ( -0.000 0.000 -0.000) 0.000 4.443 ( 0.000 0.000 0.000) 0.000 4.741 ( 0.000 0.000 0.000) 0.000 4.769 ( 0.000 0.000 -0.000) 0.000 4.813 ( -0.000 0.000 -0.000) 0.000 4.814 ( 0.000 0.000 -0.000) 0.000 4.860 ( 0.000 0.000 -0.000) 0.000 5.237 ( 0.000 0.000 0.000) 0.000 5.277 ( 0.000 0.000 -0.000) 0.000 5.303 ( 0.000 0.000 0.000) 0.000 5.332 ( 0.000 0.000 -0.000) 0.000 5.402 ( 0.000 0.000 -0.000) 0.000 5.453 ( 0.000 0.000 -0.000) 0.000 5.535 ( 0.000 0.000 0.000) 0.000 5.759 ( 0.000 0.000 -0.000) 0.000 5.776 ( 0.000 0.000 -0.000) 0.000 5.844 ( 0.000 0.000 -0.000) 0.000 5.847 ( 0.000 0.000 0.000) 0.000 5.977 ( 0.000 0.000 0.000) 0.000 6.040 ( 0.000 0.000 0.000) 0.000 6.222 ( 0.000 0.000 -0.000) 0.000 6.303 ( 0.000 0.000 -0.000) 0.000 6.337 ( 0.000 0.000 -0.000) 0.000 6.388 ( 0.000 0.000 -0.000) 0.000 6.423 ( 0.000 0.000 0.000) 0.000 6.502 ( 0.000 0.000 0.000) 0.000 6.615 ( 0.000 0.000 -0.000) 0.000 6.677 ( -0.000 0.000 0.000) 0.000 6.858 ( 0.000 0.000 -0.000) 0.000 6.926 ( 0.000 0.000 -0.000) 0.000 7.001 ( 0.000 0.000 0.000) 0.000 7.077 ( 0.000 0.000 0.000) 0.000 7.214 ( 0.000 0.000 -0.000) 0.000 7.250 ( 0.000 0.000 -0.000) 0.000 7.276 ( 0.000 0.000 -0.000) 0.000 7.331 ( 0.000 0.000 0.000) 0.000 7.363 ( 0.000 0.000 -0.000) 0.000 7.379 ( -0.000 0.000 0.000) 0.000 7.445 ( 0.000 0.000 -0.000) 0.000 7.457 ( 0.000 0.000 -0.000) 0.000 7.534 ( 0.000 0.000 -0.000) 0.000 7.862 ( 0.000 0.000 0.000) 0.000 7.969 ( 0.000 0.000 -0.000) 0.000 8.011 ( 0.000 0.000 -0.000) 0.000 8.109 ( 0.000 0.000 -0.000) 0.000 8.223 ( -0.000 0.000 -0.000) 0.000 8.301 ( 0.000 0.000 0.000) 0.000 8.389 ( 0.000 0.000 -0.000) 0.000 8.683 ( 0.000 0.000 -0.000) 0.000 8.753 ( 0.000 0.000 0.000) 0.000 8.757 ( 0.000 0.000 -0.000) 0.000 9.034 ( 0.000 0.000 -0.000) 0.000 9.457 ( 0.000 0.000 0.000) 0.000 9.547 ( 0.000 0.000 -0.000) 0.000 9.560 ( 0.000 0.000 -0.000) 0.000 9.775 ( 0.000 0.000 0.000) 0.000 10.253 ( 0.000 0.000 0.000) 0.000 10.406 ( 0.000 0.000 -0.000) 0.000 10.410 ( 0.000 0.000 -0.000) 0.000 10.538 ( 0.000 0.000 -0.000) 0.000 12.796 ( 0.000 0.000 -0.000) 0.000 13.014 ( -0.000 0.000 0.000) 0.000 13.081 ( 0.000 0.000 -0.000) 0.000 13.152 ( 0.000 0.000 0.000) 0.000 13.197 ( 0.000 0.000 -0.000) 0.000 13.235 ( 0.000 0.000 0.000) 0.000 13.279 ( 0.000 0.000 -0.000) 0.000 13.347 ( -0.000 0.000 -0.000) 0.000 14.125 ( 0.000 0.000 0.000) 0.000 14.176 ( 0.000 0.000 0.000) 0.000 14.202 ( 0.000 0.000 0.000) 0.000 14.228 ( 0.000 0.000 0.000) 0.000 14.251 ( 0.000 0.000 -0.000) 0.000 14.645 ( 0.000 0.000 0.000) 0.000 14.744 ( -0.000 0.000 0.000) 0.000 14.760 ( 0.000 0.000 0.000) 0.000 14.806 ( 0.000 0.000 0.000) 0.000 14.827 ( 0.000 0.000 -0.000) 0.000 14.871 ( 0.000 0.000 0.000) 0.000 15.125 ( 0.000 0.000 0.000) 0.000 15.157 ( 0.000 0.000 0.000) 0.000 15.275 ( -0.000 0.000 0.000) 0.000 15.281 ( 0.000 0.000 -0.000) 0.000 15.281 ( 0.000 0.000 -0.000) 0.000 15.938 ( 0.000 0.000 -0.000) 0.000 16.076 ( 0.000 0.000 0.000) 0.000 16.180 ( 0.000 0.000 0.000) 0.000 16.353 ( 0.000 0.000 -0.000) 0.000 16.612 ( 0.000 0.000 -0.000) 0.000 16.665 ( 0.000 0.000 -0.000) 0.000 16.787 ( -0.000 0.000 0.000) 0.000 16.948 ( 0.000 0.000 -0.000) 0.000 18.247 ( 0.000 0.000 0.000) 0.000 18.303 ( 0.000 0.000 -0.000) 0.000 18.317 ( 0.000 0.000 -0.000) 0.000 18.402 ( 0.000 0.000 -0.000) 0.000 18.704 ( 0.000 0.000 0.000) 0.000 18.787 ( 0.000 0.000 -0.000) 0.000 18.827 ( 0.000 0.000 0.000) 0.000 18.940 ( 0.000 0.000 -0.000) 0.000 19.057 ( 0.000 0.000 -0.000) 0.000 19.066 ( 0.000 0.000 -0.000) 0.000 19.224 ( 0.000 0.000 0.000) 0.000 19.518 ( 0.000 0.000 -0.000) 0.000 19.612 ( 0.000 0.000 -0.000) 0.000 19.874 ( 0.000 0.000 -0.000) 0.000 19.949 ( 0.000 0.000 0.000) 0.000 20.061 ( 0.000 0.000 -0.000) 0.000 20.515 ( 0.000 0.000 0.000) 0.000 20.577 ( 0.000 0.000 -0.000) 0.000 20.804 ( -0.000 0.000 -0.000) 0.000 21.072 ( 0.000 0.000 -0.000) 0.000 21.366 ( 0.000 0.000 -0.000) 0.000 21.382 ( 0.000 0.000 0.000) 0.000 21.385 ( -0.000 0.000 0.000) 0.000 21.395 ( -0.000 0.000 -0.000) 0.000 21.869 ( 0.000 0.000 0.000) 0.000 21.919 ( 0.000 0.000 -0.000) 0.000 21.923 ( 0.000 0.000 -0.000) 0.000 21.950 ( 0.000 0.000 -0.000) 0.000 22.164 ( 0.000 0.000 -0.000) 0.000 22.191 ( 0.000 0.000 -0.000) 0.000 22.340 ( 0.000 0.000 -0.000) 0.000 22.441 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 7 (5/64) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.327 ( 0.000 16.641 0.000) 16.641 0.413 ( 0.000 23.155 0.000) 23.155 0.818 ( 0.000 42.123 0.000) 42.123 1.393 ( 0.000 -6.595 0.000) 6.595 1.606 ( 0.000 2.016 0.000) 2.016 1.640 ( 0.000 -6.476 0.000) 6.476 1.885 ( 0.000 -4.179 0.000) 4.179 1.987 ( 0.000 4.235 0.000) 4.235 1.996 ( 0.000 7.548 0.000) 7.548 2.228 ( 0.000 9.212 0.000) 9.212 2.283 ( 0.000 4.225 0.000) 4.225 2.345 ( 0.000 0.937 0.000) 0.937 2.381 ( 0.000 -1.521 0.000) 1.521 2.469 ( 0.000 -8.504 0.000) 8.504 2.536 ( 0.000 4.782 0.000) 4.782 2.570 ( 0.000 -9.643 0.000) 9.643 2.755 ( 0.000 -2.840 0.000) 2.840 2.785 ( 0.000 -3.242 0.000) 3.242 2.870 ( 0.000 -6.283 0.000) 6.283 3.126 ( 0.000 -3.401 0.000) 3.401 3.152 ( 0.000 0.738 0.000) 0.738 3.174 ( 0.000 5.295 0.000) 5.295 3.190 ( 0.000 1.052 0.000) 1.052 3.280 ( 0.000 -3.633 0.000) 3.633 3.289 ( 0.000 -6.279 0.000) 6.279 3.377 ( 0.000 1.550 0.000) 1.550 3.424 ( 0.000 5.390 0.000) 5.390 3.448 ( 0.000 -1.207 0.000) 1.207 3.476 ( 0.000 -5.560 0.000) 5.560 3.495 ( 0.000 -1.779 0.000) 1.779 3.572 ( 0.000 6.855 0.000) 6.855 3.622 ( 0.000 1.486 0.000) 1.486 3.676 ( 0.000 0.573 0.000) 0.573 3.767 ( 0.000 0.767 0.000) 0.767 3.844 ( 0.000 0.123 0.000) 0.123 3.878 ( 0.000 -5.099 0.000) 5.099 3.893 ( 0.000 -4.161 0.000) 4.161 3.982 ( 0.000 -2.394 0.000) 2.394 4.065 ( 0.000 2.195 0.000) 2.195 4.102 ( 0.000 -1.153 0.000) 1.153 4.126 ( 0.000 4.544 0.000) 4.544 4.234 ( 0.000 1.592 0.000) 1.592 4.331 ( 0.000 -6.488 0.000) 6.488 4.456 ( 0.000 1.612 0.000) 1.612 4.632 ( 0.000 -1.192 0.000) 1.192 4.762 ( 0.000 -3.607 0.000) 3.607 4.801 ( 0.000 -3.778 0.000) 3.778 4.821 ( 0.000 -7.181 0.000) 7.181 4.917 ( 0.000 14.584 0.000) 14.584 4.922 ( 0.000 -15.031 0.000) 15.031 5.007 ( 0.000 -8.302 0.000) 8.302 5.064 ( 0.000 -3.557 0.000) 3.557 5.087 ( 0.000 -13.321 0.000) 13.321 5.299 ( 0.000 2.316 0.000) 2.316 5.317 ( 0.000 -0.907 0.000) 0.907 5.415 ( 0.000 4.531 0.000) 4.531 5.418 ( 0.000 -3.050 0.000) 3.050 5.558 ( 0.000 3.661 0.000) 3.661 5.683 ( 0.000 -2.319 0.000) 2.319 5.753 ( 0.000 -5.594 0.000) 5.594 5.841 ( 0.000 -8.147 0.000) 8.147 5.897 ( 0.000 1.164 0.000) 1.164 5.938 ( 0.000 -5.127 0.000) 5.127 5.951 ( 0.000 -1.813 0.000) 1.813 6.163 ( 0.000 -3.249 0.000) 3.249 6.188 ( 0.000 3.363 0.000) 3.363 6.395 ( 0.000 9.134 0.000) 9.134 6.468 ( 0.000 3.352 0.000) 3.352 6.483 ( 0.000 1.410 0.000) 1.410 6.508 ( 0.000 7.486 0.000) 7.486 6.559 ( 0.000 1.066 0.000) 1.066 6.647 ( 0.000 -1.046 0.000) 1.046 6.802 ( 0.000 11.742 0.000) 11.742 6.945 ( 0.000 -5.635 0.000) 5.635 7.014 ( 0.000 5.967 0.000) 5.967 7.080 ( 0.000 -2.587 0.000) 2.587 7.145 ( 0.000 -0.827 0.000) 0.827 7.174 ( 0.000 -5.627 0.000) 5.627 7.247 ( 0.000 -3.071 0.000) 3.071 7.335 ( 0.000 5.289 0.000) 5.289 7.397 ( 0.000 -0.096 0.000) 0.096 7.450 ( 0.000 1.781 0.000) 1.781 7.503 ( 0.000 -0.018 0.000) 0.018 7.524 ( 0.000 0.492 0.000) 0.492 7.546 ( 0.000 4.804 0.000) 4.804 7.919 ( 0.000 3.035 0.000) 3.035 7.989 ( 0.000 0.006 0.000) 0.006 8.013 ( 0.000 2.544 0.000) 2.544 8.028 ( 0.000 -2.115 0.000) 2.115 8.226 ( 0.000 -3.429 0.000) 3.429 8.329 ( 0.000 -3.582 0.000) 3.582 8.406 ( 0.000 0.989 0.000) 0.989 8.601 ( 0.000 -3.041 0.000) 3.041 8.629 ( 0.000 4.768 0.000) 4.768 8.647 ( 0.000 1.077 0.000) 1.077 9.018 ( 0.000 -11.117 0.000) 11.117 9.241 ( 0.000 12.516 0.000) 12.516 9.363 ( 0.000 1.015 0.000) 1.015 9.460 ( 0.000 1.691 0.000) 1.691 9.808 ( 0.000 0.231 0.000) 0.231 10.002 ( 0.000 5.094 0.000) 5.094 10.301 ( 0.000 -0.456 0.000) 0.456 10.359 ( 0.000 1.704 0.000) 1.704 10.608 ( 0.000 -2.201 0.000) 2.201 12.960 ( 0.000 1.106 0.000) 1.106 13.052 ( 0.000 -1.313 0.000) 1.313 13.068 ( 0.000 0.559 0.000) 0.559 13.225 ( 0.000 -0.664 0.000) 0.664 13.263 ( 0.000 2.316 0.000) 2.316 13.298 ( 0.000 -0.144 0.000) 0.144 13.315 ( 0.000 0.857 0.000) 0.857 13.437 ( 0.000 -0.441 0.000) 0.441 13.901 ( 0.000 4.082 0.000) 4.082 14.105 ( 0.000 -0.878 0.000) 0.878 14.177 ( 0.000 -2.054 0.000) 2.054 14.283 ( 0.000 -3.430 0.000) 3.430 14.458 ( 0.000 2.048 0.000) 2.048 14.589 ( 0.000 -3.557 0.000) 3.557 14.668 ( 0.000 1.518 0.000) 1.518 14.773 ( 0.000 2.802 0.000) 2.802 14.843 ( 0.000 -0.167 0.000) 0.167 14.888 ( 0.000 0.416 0.000) 0.416 14.931 ( 0.000 2.556 0.000) 2.556 15.025 ( 0.000 -1.023 0.000) 1.023 15.207 ( 0.000 2.021 0.000) 2.021 15.331 ( 0.000 1.663 0.000) 1.663 15.551 ( 0.000 -0.446 0.000) 0.446 15.670 ( 0.000 1.932 0.000) 1.932 15.737 ( 0.000 -2.372 0.000) 2.372 15.764 ( 0.000 -1.942 0.000) 1.942 15.823 ( 0.000 3.184 0.000) 3.184 16.428 ( 0.000 -4.534 0.000) 4.534 16.565 ( 0.000 2.319 0.000) 2.319 16.869 ( 0.000 -2.177 0.000) 2.177 16.939 ( 0.000 1.700 0.000) 1.700 17.145 ( 0.000 -1.047 0.000) 1.047 18.230 ( 0.000 -0.807 0.000) 0.807 18.243 ( 0.000 -2.145 0.000) 2.145 18.355 ( 0.000 3.498 0.000) 3.498 18.482 ( 0.000 -0.662 0.000) 0.662 18.679 ( 0.000 0.177 0.000) 0.177 18.733 ( 0.000 3.232 0.000) 3.232 18.778 ( 0.000 -0.531 0.000) 0.531 18.961 ( 0.000 -0.768 0.000) 0.768 19.009 ( 0.000 -0.181 0.000) 0.181 19.053 ( 0.000 -0.786 0.000) 0.786 19.383 ( 0.000 0.872 0.000) 0.872 19.390 ( 0.000 0.517 0.000) 0.517 19.582 ( 0.000 2.333 0.000) 2.333 19.704 ( 0.000 0.224 0.000) 0.224 19.945 ( 0.000 -0.689 0.000) 0.689 20.041 ( 0.000 0.014 0.000) 0.014 20.541 ( 0.000 -0.732 0.000) 0.732 20.611 ( 0.000 -7.561 0.000) 7.561 20.932 ( 0.000 2.048 0.000) 2.048 21.175 ( 0.000 -6.199 0.000) 6.199 21.417 ( 0.000 1.131 0.000) 1.131 21.447 ( 0.000 -0.857 0.000) 0.857 21.624 ( 0.000 3.026 0.000) 3.026 21.692 ( 0.000 -0.022 0.000) 0.022 21.797 ( 0.000 0.821 0.000) 0.821 21.857 ( 0.000 -0.400 0.000) 0.400 21.894 ( 0.000 -1.708 0.000) 1.708 21.974 ( 0.000 -0.555 0.000) 0.555 22.008 ( 0.000 2.919 0.000) 2.919 22.080 ( 0.000 0.589 0.000) 0.589 22.116 ( 0.000 0.355 0.000) 0.355 22.234 ( 0.000 -1.453 0.000) 1.453 ======================= Grid point 8 (6/64) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.588 ( 20.649 8.090 2.821) 22.356 0.702 ( 21.888 12.902 12.668) 28.391 1.188 ( 28.123 20.958 0.988) 35.087 1.400 ( 2.571 -2.664 -3.338) 4.985 1.598 ( 3.352 -4.040 -2.278) 5.723 1.688 ( 1.001 -0.748 0.107) 1.254 1.919 ( 2.258 -7.830 0.236) 8.152 1.957 ( -0.065 3.670 -4.165) 5.552 1.997 ( 1.306 5.170 0.076) 5.333 2.225 ( -1.692 8.456 -2.653) 9.023 2.302 ( -2.119 -3.098 0.791) 3.836 2.319 ( -0.228 4.538 6.475) 7.910 2.413 ( 3.201 -3.106 -3.814) 5.868 2.499 ( 2.170 -1.769 1.786) 3.321 2.558 ( -0.074 -5.102 -5.079) 7.200 2.598 ( 3.444 -3.961 -5.875) 7.878 2.751 ( -1.510 -5.463 0.725) 5.714 2.773 ( 1.060 -1.617 -0.458) 1.987 2.810 ( -6.110 -4.706 5.791) 9.644 3.007 ( -12.065 -4.428 3.833) 13.412 3.051 ( -4.297 -2.342 -0.283) 4.902 3.165 ( -1.212 1.167 -0.080) 1.685 3.190 ( -5.044 0.045 2.923) 5.830 3.198 ( -1.160 -1.196 0.663) 1.794 3.262 ( -1.251 -3.606 -2.465) 4.544 3.325 ( -4.458 6.827 1.390) 8.271 3.372 ( -3.196 2.140 0.246) 3.854 3.437 ( -7.689 -2.017 -2.202) 8.248 3.461 ( 0.474 -2.388 0.391) 2.466 3.533 ( -0.303 3.337 -5.705) 6.616 3.590 ( 6.930 0.347 -0.895) 6.996 3.645 ( 3.531 3.408 -0.599) 4.943 3.683 ( -4.263 -0.424 5.793) 7.205 3.801 ( 3.804 -2.585 -2.406) 5.190 3.813 ( 0.981 2.776 -1.998) 3.558 3.904 ( 1.827 -5.427 4.863) 7.512 3.946 ( 5.379 -0.671 -4.606) 7.114 3.987 ( -4.427 5.235 0.369) 6.866 4.081 ( -0.531 1.786 0.989) 2.109 4.101 ( -3.676 1.134 2.094) 4.380 4.191 ( 5.977 0.607 5.478) 8.131 4.237 ( 4.265 -0.531 0.726) 4.359 4.279 ( -0.990 -3.271 -7.438) 8.185 4.398 ( -6.408 8.325 -6.011) 12.104 4.496 ( -0.784 -3.198 -4.351) 5.456 4.662 ( -3.809 -3.175 0.058) 4.959 4.769 ( -5.181 -4.636 2.654) 7.442 4.838 ( -0.544 -0.122 0.579) 0.804 4.891 ( -2.049 -6.793 4.381) 8.339 4.921 ( -1.508 9.936 -3.235) 10.557 4.989 ( -3.185 -9.578 -1.309) 10.178 5.063 ( -1.181 -7.368 2.961) 8.028 5.114 ( -0.398 -4.929 -5.223) 7.193 5.227 ( 1.389 -0.286 6.375) 6.530 5.324 ( -0.101 -0.768 -1.468) 1.660 5.360 ( -2.258 2.000 -0.517) 3.061 5.449 ( 0.731 -2.363 2.070) 3.225 5.570 ( 1.887 3.234 -2.077) 4.282 5.705 ( 1.275 -3.940 0.665) 4.195 5.781 ( 0.283 -3.265 4.165) 5.300 5.858 ( 1.116 -5.768 -2.399) 6.346 5.906 ( 1.860 -4.123 4.473) 6.361 5.954 ( 0.170 -1.568 0.732) 1.739 6.034 ( 3.314 -7.340 -3.507) 8.784 6.115 ( -2.316 0.536 -2.903) 3.752 6.138 ( -2.592 3.105 2.324) 4.664 6.378 ( -3.965 -0.550 -2.348) 4.641 6.457 ( 1.050 5.171 -1.691) 5.541 6.492 ( -1.839 -0.947 -3.332) 3.922 6.539 ( 1.381 6.444 2.515) 7.054 6.561 ( 2.781 -0.624 0.450) 2.886 6.676 ( 2.516 0.510 0.555) 2.627 6.791 ( -0.763 5.536 -5.358) 7.742 6.930 ( -1.990 -3.314 0.321) 3.879 7.015 ( -3.471 -2.281 7.056) 8.188 7.044 ( -1.065 2.367 6.082) 6.613 7.126 ( -0.153 -2.115 -4.089) 4.606 7.212 ( 2.790 -4.094 -0.527) 4.982 7.237 ( -0.515 -2.589 0.382) 2.667 7.365 ( 0.321 4.346 -0.068) 4.358 7.402 ( 1.060 3.257 -0.781) 3.513 7.473 ( -0.399 4.251 -4.032) 5.873 7.505 ( 1.697 -0.557 7.370) 7.583 7.517 ( -0.424 1.913 1.047) 2.221 7.651 ( 5.533 3.450 2.730) 7.069 7.808 ( -3.418 3.615 2.823) 5.720 7.913 ( -1.914 2.714 -0.951) 3.455 7.974 ( -2.612 2.934 -0.087) 3.929 8.083 ( 2.311 -3.947 -1.127) 4.710 8.226 ( -5.535 -5.808 2.811) 8.501 8.366 ( 5.018 2.503 1.705) 5.861 8.494 ( 1.959 -2.023 -2.419) 3.712 8.537 ( 3.249 4.981 4.517) 7.468 8.621 ( 1.051 4.440 -3.501) 5.751 8.724 ( 5.598 0.816 -4.921) 7.497 8.983 ( -1.970 -8.713 -3.302) 9.524 9.288 ( 4.565 8.967 6.037) 11.734 9.455 ( 2.038 0.115 -8.322) 8.569 9.601 ( 4.638 1.968 -3.038) 5.883 9.979 ( 5.535 -4.133 -3.432) 7.713 10.066 ( 10.748 -9.524 -10.040) 17.522 10.288 ( -1.676 -1.295 2.900) 3.591 10.333 ( -1.195 2.094 0.328) 2.433 10.604 ( -0.134 -1.165 -5.588) 5.709 12.929 ( -2.696 1.626 -1.597) 3.530 13.019 ( -3.683 1.011 1.124) 3.981 13.088 ( -0.817 1.027 3.840) 4.058 13.110 ( 0.209 0.216 -4.945) 4.954 13.224 ( -2.073 1.797 1.545) 3.149 13.277 ( -2.400 0.936 -0.829) 2.706 13.344 ( -0.376 0.300 2.197) 2.249 13.437 ( -0.957 0.191 0.774) 1.245 13.944 ( 4.146 3.490 -0.238) 5.425 14.101 ( 2.003 0.183 -3.545) 4.076 14.206 ( -0.124 0.554 1.206) 1.333 14.277 ( -1.377 -0.005 -0.285) 1.406 14.400 ( -2.014 -0.028 1.223) 2.356 14.604 ( 0.756 -4.142 2.536) 4.916 14.677 ( 0.834 1.636 -0.404) 1.880 14.759 ( 0.881 4.457 -3.885) 5.978 14.860 ( 0.499 1.783 0.220) 1.864 14.889 ( -0.144 1.352 -0.951) 1.659 14.963 ( -2.769 -1.701 3.675) 4.906 15.020 ( 1.187 -4.726 2.986) 5.715 15.199 ( -0.765 2.186 1.290) 2.651 15.345 ( -0.297 2.403 1.603) 2.904 15.461 ( -6.726 1.415 -1.714) 7.083 15.534 ( -6.755 3.447 -0.161) 7.585 15.737 ( 2.298 -4.768 2.050) 5.676 15.915 ( 8.594 2.389 3.873) 9.725 15.975 ( 10.393 -0.595 -0.025) 10.410 16.237 ( -9.550 10.906 25.436) 29.277 16.511 ( 0.575 -3.898 -1.949) 4.396 16.833 ( -3.784 -0.715 -3.050) 4.913 16.983 ( -4.857 -1.540 2.728) 5.780 17.090 ( -1.839 -0.130 0.623) 1.946 18.224 ( -0.103 -1.318 0.550) 1.432 18.248 ( 0.124 -2.340 -2.124) 3.163 18.365 ( 0.772 3.327 -3.214) 4.690 18.476 ( -0.720 0.187 0.282) 0.796 18.666 ( 0.233 0.046 0.084) 0.252 18.745 ( 1.124 2.716 -0.221) 2.948 18.790 ( 0.785 0.357 -2.265) 2.424 18.990 ( 0.748 1.128 0.212) 1.370 19.019 ( 0.852 -0.230 0.944) 1.292 19.130 ( 3.028 -3.858 -1.132) 5.033 19.297 ( -4.983 -0.358 0.366) 5.009 19.476 ( 3.035 -4.717 -1.017) 5.701 19.594 ( 0.708 1.230 -0.094) 1.422 19.742 ( 4.251 -2.096 -6.199) 7.803 19.943 ( -0.903 0.149 2.501) 2.663 20.015 ( 0.386 2.931 -6.216) 6.883 20.511 ( -0.973 -1.657 2.187) 2.912 20.635 ( -0.511 -4.000 -2.275) 4.630 20.899 ( -2.253 -0.381 1.127) 2.548 21.120 ( -5.793 -5.146 0.419) 7.760 21.357 ( -4.390 3.983 3.779) 7.030 21.424 ( -4.422 3.687 -3.409) 6.691 21.455 ( -0.942 -1.157 0.378) 1.539 21.582 ( -6.042 2.626 -2.572) 7.072 21.812 ( 1.771 0.259 -0.192) 1.800 21.843 ( -0.327 0.173 0.142) 0.396 21.938 ( 1.174 -1.260 0.481) 1.788 21.973 ( 0.075 0.171 -0.584) 0.613 22.068 ( 3.999 1.557 -0.032) 4.291 22.079 ( 3.601 2.072 0.880) 4.247 22.227 ( 4.259 -0.721 -0.297) 4.330 22.395 ( 6.053 -6.765 -0.510) 9.091 ======================= Grid point 9 (7/64) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( 21.674 1.933 6.120) 22.604 1.181 ( 22.749 7.979 10.879) 26.448 1.457 ( 3.773 0.718 -4.157) 5.660 1.662 ( 12.285 -3.734 -6.292) 14.299 1.679 ( 0.316 0.655 -0.210) 0.757 1.754 ( 6.776 -4.538 -0.280) 8.160 1.880 ( -3.650 -0.337 -7.411) 8.268 1.973 ( 1.943 0.849 -2.848) 3.551 2.045 ( 2.149 -2.556 2.705) 4.298 2.163 ( -3.205 3.266 -2.268) 5.107 2.209 ( -7.498 -6.402 0.110) 9.859 2.374 ( 7.438 3.070 8.054) 11.384 2.425 ( -1.701 -1.800 -2.380) 3.435 2.560 ( 1.916 -5.610 -1.794) 6.194 2.576 ( -0.489 4.076 5.269) 6.680 2.607 ( -1.057 -7.635 -4.093) 8.727 2.680 ( -1.162 -0.786 -0.491) 1.487 2.775 ( 1.432 -4.721 2.841) 5.693 2.791 ( -2.247 -5.729 2.215) 6.540 2.840 ( -2.328 1.048 -2.184) 3.360 3.000 ( -0.835 -2.429 -0.429) 2.604 3.017 ( -7.506 -4.837 1.608) 9.074 3.119 ( -3.851 1.002 -0.732) 4.046 3.149 ( -3.439 -0.184 -0.110) 3.445 3.214 ( -0.420 -3.686 -0.659) 3.768 3.293 ( -2.326 0.749 -0.112) 2.446 3.324 ( -1.215 -2.151 1.082) 2.697 3.408 ( 6.465 4.672 -0.464) 7.990 3.493 ( 0.820 0.295 1.431) 1.675 3.525 ( -1.024 2.288 -2.063) 3.246 3.565 ( -6.253 -2.840 1.146) 6.962 3.635 ( -2.251 1.794 -3.294) 4.375 3.718 ( -0.299 7.406 4.537) 8.690 3.760 ( 1.240 5.968 -3.989) 7.285 3.851 ( -2.337 0.687 5.529) 6.042 3.903 ( -2.350 7.149 0.581) 7.548 3.968 ( 1.150 -0.157 7.296) 7.388 4.012 ( -2.678 1.410 -1.764) 3.503 4.030 ( 1.238 -0.119 -7.220) 7.326 4.124 ( 3.290 -1.543 1.081) 3.791 4.228 ( -3.749 -0.628 -3.064) 4.883 4.279 ( 2.033 2.522 -0.559) 3.287 4.301 ( 2.250 -2.047 -2.452) 3.907 4.365 ( 2.001 -2.667 -0.438) 3.363 4.503 ( 3.813 -5.364 -0.465) 6.598 4.564 ( -6.966 -0.200 0.412) 6.981 4.625 ( -8.167 1.983 -0.337) 8.411 4.784 ( -1.008 -2.052 -3.787) 4.423 4.833 ( -2.832 -2.980 2.838) 4.996 4.883 ( -5.116 0.158 -0.805) 5.181 4.975 ( 4.110 7.779 -0.304) 8.803 5.085 ( 2.147 -11.240 -2.613) 11.738 5.128 ( 3.166 -9.840 0.717) 10.362 5.262 ( -2.703 -1.640 -0.365) 3.183 5.317 ( 2.216 1.158 -1.141) 2.748 5.351 ( -0.418 1.073 5.197) 5.323 5.489 ( 3.632 -1.046 0.540) 3.818 5.596 ( 0.520 4.454 -0.291) 4.494 5.713 ( -0.793 -3.605 0.603) 3.741 5.787 ( -0.889 -3.602 0.219) 3.716 5.860 ( -0.253 -2.574 -0.345) 2.609 5.889 ( -3.789 -0.178 2.377) 4.477 5.982 ( 2.842 -3.690 6.030) 7.620 6.031 ( -0.934 -2.590 -7.169) 7.679 6.080 ( 0.114 -1.921 2.881) 3.465 6.177 ( 2.865 -5.177 -1.193) 6.036 6.299 ( -2.811 -1.669 -2.721) 4.253 6.404 ( -4.052 0.450 3.042) 5.087 6.494 ( 0.816 -1.575 -3.951) 4.331 6.554 ( 0.135 4.373 -1.117) 4.515 6.597 ( 0.878 -4.222 -2.729) 5.103 6.703 ( -0.061 3.308 -4.857) 5.876 6.792 ( -0.121 -2.209 0.285) 2.231 6.880 ( 0.950 -0.926 0.428) 1.394 6.990 ( -1.718 -6.689 7.726) 10.362 7.050 ( -0.410 6.830 2.242) 7.200 7.132 ( 1.596 -3.119 2.141) 4.106 7.203 ( -0.434 -2.682 -2.056) 3.407 7.292 ( 3.242 -0.848 -0.003) 3.351 7.353 ( -0.030 4.291 1.777) 4.645 7.431 ( 1.167 0.687 -3.249) 3.520 7.466 ( -0.394 4.162 -1.110) 4.325 7.492 ( -1.850 5.998 1.916) 6.563 7.533 ( 0.442 2.532 0.915) 2.728 7.618 ( -5.070 6.975 3.585) 9.339 7.902 ( 5.234 1.735 3.261) 6.406 7.915 ( 1.888 3.621 -3.082) 5.116 7.958 ( 1.611 -0.809 0.536) 1.881 8.099 ( -1.066 -2.412 -0.149) 2.641 8.185 ( 2.718 -5.425 2.261) 6.476 8.333 ( -4.571 2.667 -0.841) 5.359 8.481 ( -4.291 0.227 -0.577) 4.336 8.616 ( 3.307 3.183 4.201) 6.222 8.699 ( 3.194 -0.087 -5.495) 6.356 8.795 ( 2.692 1.531 -2.957) 4.282 8.999 ( 3.397 -3.338 -1.538) 5.005 9.416 ( 6.688 3.464 2.381) 7.899 9.499 ( 4.004 4.257 -5.696) 8.161 9.627 ( -0.652 6.845 5.612) 8.876 9.953 ( -5.737 3.370 -1.554) 6.833 10.207 ( 3.261 -8.070 -11.146) 14.141 10.277 ( 0.943 -6.404 2.860) 7.077 10.352 ( 2.666 0.852 3.649) 4.599 10.582 ( -1.213 -0.424 -5.619) 5.765 12.857 ( -3.303 2.480 0.308) 4.142 13.001 ( 1.508 1.672 -1.132) 2.520 13.083 ( 0.261 -3.431 0.249) 3.450 13.128 ( -1.503 -0.357 2.436) 2.885 13.193 ( 0.655 1.264 -0.656) 1.568 13.243 ( -0.568 0.988 -0.494) 1.242 13.311 ( -2.423 1.473 0.528) 2.884 13.394 ( -3.201 -0.722 0.070) 3.283 14.052 ( 6.200 1.348 -0.648) 6.378 14.168 ( 3.380 0.923 -0.692) 3.571 14.187 ( -0.268 2.786 -1.749) 3.300 14.239 ( -1.816 0.771 1.332) 2.381 14.370 ( -2.220 2.512 0.704) 3.426 14.619 ( 0.108 -4.338 2.646) 5.083 14.705 ( 1.994 -0.016 -0.812) 2.153 14.760 ( -1.751 0.487 -1.164) 2.158 14.848 ( -0.993 -0.010 -3.463) 3.602 14.883 ( -0.907 5.141 2.422) 5.755 14.906 ( -0.921 2.001 -2.088) 3.035 15.041 ( 0.562 -6.071 2.401) 6.552 15.187 ( -0.404 2.546 1.023) 2.774 15.325 ( -0.763 4.685 1.134) 4.880 15.337 ( -4.881 1.620 0.026) 5.143 15.422 ( -4.649 4.615 -0.273) 6.557 15.829 ( 4.698 -4.507 3.494) 7.389 16.062 ( 5.235 4.979 8.563) 11.204 16.127 ( 2.675 -2.044 0.766) 3.453 16.242 ( 6.371 0.208 6.791) 9.314 16.555 ( 4.258 -3.722 -4.105) 6.988 16.731 ( -5.119 2.874 -4.704) 7.523 16.828 ( -8.935 -4.350 3.595) 10.568 17.038 ( -3.831 1.171 0.402) 4.026 18.224 ( 0.030 -1.720 0.324) 1.750 18.247 ( 0.074 -2.599 -1.063) 2.809 18.375 ( 0.647 3.643 -2.548) 4.492 18.451 ( -1.597 1.601 0.536) 2.324 18.679 ( 0.581 -1.249 0.554) 1.485 18.765 ( 0.614 -0.538 -1.684) 1.871 18.826 ( 3.456 4.471 -0.336) 5.662 18.996 ( -0.210 2.272 -0.944) 2.469 19.040 ( 0.897 -0.459 0.773) 1.270 19.115 ( -3.789 0.484 0.819) 3.906 19.227 ( -1.277 -1.070 1.219) 2.065 19.500 ( 0.077 -3.320 -0.007) 3.321 19.606 ( 0.560 0.483 1.180) 1.393 19.809 ( 2.830 -6.745 -8.714) 11.377 19.915 ( -1.827 1.030 2.950) 3.620 20.055 ( 2.761 1.575 -0.865) 3.294 20.523 ( 1.888 -0.389 1.635) 2.528 20.596 ( -1.985 0.925 -1.438) 2.620 20.838 ( -4.372 -2.439 -0.940) 5.094 21.022 ( -2.871 -6.234 1.266) 6.979 21.328 ( 0.140 -0.189 1.439) 1.458 21.370 ( -1.685 -0.489 -1.449) 2.275 21.425 ( -1.772 0.887 0.917) 2.183 21.472 ( -4.332 0.907 -0.793) 4.496 21.852 ( 1.007 0.111 0.253) 1.044 21.859 ( 2.432 -0.824 0.931) 2.731 21.943 ( -0.400 0.091 -0.614) 0.738 21.973 ( 0.015 0.669 -0.819) 1.057 22.145 ( 2.907 1.140 0.110) 3.125 22.156 ( 3.521 1.023 -0.528) 3.704 22.308 ( 3.355 0.176 -0.105) 3.361 22.439 ( 0.042 -2.282 -0.084) 2.284 ======================= Grid point 10 (8/64) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( 0.000 7.447 0.000) 7.447 1.505 ( 0.000 -1.365 -0.000) 1.365 1.528 ( -0.000 -3.586 0.000) 3.586 1.583 ( -0.000 -1.016 0.000) 1.016 1.695 ( 0.000 -1.328 0.000) 1.328 1.739 ( 0.000 5.496 0.000) 5.496 1.850 ( 0.000 3.991 0.000) 3.991 2.043 ( -0.000 2.440 -0.000) 2.440 2.062 ( 0.000 -16.527 -0.000) 16.527 2.110 ( 0.000 -11.412 -0.000) 11.412 2.176 ( 0.000 -0.738 -0.000) 0.738 2.378 ( 0.000 0.331 0.000) 0.331 2.469 ( 0.000 -6.673 -0.000) 6.673 2.521 ( 0.000 1.830 -0.000) 1.830 2.599 ( 0.000 -8.260 0.000) 8.260 2.623 ( 0.000 0.856 -0.000) 0.856 2.698 ( -0.000 -1.148 0.000) 1.148 2.700 ( 0.000 -1.335 -0.000) 1.335 2.797 ( 0.000 -7.978 -0.000) 7.978 2.888 ( 0.000 0.830 -0.000) 0.830 2.964 ( 0.000 -7.736 -0.000) 7.736 2.999 ( 0.000 1.170 0.000) 1.170 3.079 ( -0.000 3.325 -0.000) 3.325 3.104 ( 0.000 0.464 0.000) 0.464 3.208 ( 0.000 -7.485 0.000) 7.485 3.236 ( 0.000 -1.301 0.000) 1.301 3.355 ( 0.000 1.548 -0.000) 1.548 3.440 ( -0.000 -1.974 -0.000) 1.974 3.494 ( 0.000 3.482 -0.000) 3.482 3.530 ( 0.000 -1.617 -0.000) 1.617 3.546 ( 0.000 7.869 -0.000) 7.869 3.595 ( 0.000 3.079 -0.000) 3.079 3.691 ( -0.000 8.434 0.000) 8.434 3.774 ( 0.000 8.663 0.000) 8.663 3.783 ( 0.000 5.975 -0.000) 5.975 3.870 ( 0.000 -3.129 -0.000) 3.129 3.951 ( 0.000 1.154 -0.000) 1.154 3.983 ( 0.000 5.088 0.000) 5.088 4.046 ( 0.000 3.533 -0.000) 3.533 4.122 ( 0.000 7.314 0.000) 7.314 4.237 ( 0.000 -8.041 0.000) 8.041 4.311 ( 0.000 -5.406 0.000) 5.406 4.363 ( 0.000 -0.971 -0.000) 0.971 4.398 ( 0.000 -0.141 -0.000) 0.141 4.426 ( -0.000 -4.370 -0.000) 4.370 4.502 ( 0.000 4.154 0.000) 4.154 4.667 ( 0.000 -2.197 0.000) 2.197 4.676 ( -0.000 -6.463 -0.000) 6.463 4.817 ( 0.000 0.377 -0.000) 0.377 4.836 ( 0.000 -1.868 -0.000) 1.868 5.023 ( 0.000 10.866 -0.000) 10.866 5.110 ( 0.000 -16.913 -0.000) 16.913 5.194 ( -0.000 -6.329 -0.000) 6.329 5.211 ( 0.000 -2.993 0.000) 2.993 5.334 ( 0.000 1.028 0.000) 1.028 5.350 ( 0.000 3.146 -0.000) 3.146 5.559 ( 0.000 2.825 0.000) 2.825 5.584 ( 0.000 3.464 0.000) 3.464 5.711 ( 0.000 -3.423 -0.000) 3.423 5.746 ( 0.000 -3.379 -0.000) 3.379 5.845 ( 0.000 0.083 0.000) 0.083 5.863 ( 0.000 -0.730 -0.000) 0.730 5.993 ( 0.000 -0.486 0.000) 0.486 6.035 ( 0.000 0.859 0.000) 0.859 6.107 ( 0.000 -11.305 -0.000) 11.305 6.194 ( 0.000 -4.929 -0.000) 4.929 6.285 ( 0.000 -5.984 -0.000) 5.984 6.349 ( 0.000 -0.198 -0.000) 0.198 6.494 ( 0.000 0.276 0.000) 0.276 6.551 ( 0.000 0.005 0.000) 0.005 6.611 ( 0.000 -3.027 -0.000) 3.027 6.681 ( 0.000 0.392 -0.000) 0.392 6.790 ( 0.000 0.201 -0.000) 0.201 6.936 ( -0.000 -5.141 0.000) 5.141 6.958 ( 0.000 0.942 -0.000) 0.942 7.037 ( 0.000 1.884 0.000) 1.884 7.150 ( 0.000 -3.907 0.000) 3.907 7.200 ( 0.000 -1.295 -0.000) 1.295 7.356 ( 0.000 4.701 -0.000) 4.701 7.389 ( 0.000 2.165 0.000) 2.165 7.397 ( -0.000 2.108 -0.000) 2.108 7.443 ( 0.000 -1.860 -0.000) 1.860 7.494 ( -0.000 0.540 0.000) 0.540 7.497 ( 0.000 10.409 -0.000) 10.409 7.587 ( 0.000 7.872 -0.000) 7.872 7.903 ( 0.000 4.531 0.000) 4.531 7.976 ( 0.000 -2.718 0.000) 2.718 7.989 ( 0.000 1.141 -0.000) 1.141 8.098 ( 0.000 -0.933 -0.000) 0.933 8.222 ( 0.000 -0.132 -0.000) 0.132 8.332 ( -0.000 2.620 -0.000) 2.620 8.367 ( 0.000 -4.813 0.000) 4.813 8.654 ( 0.000 3.314 -0.000) 3.314 8.710 ( 0.000 -2.920 0.000) 2.920 8.833 ( 0.000 3.040 -0.000) 3.040 9.040 ( 0.000 -0.329 -0.000) 0.329 9.481 ( 0.000 2.761 0.000) 2.761 9.588 ( 0.000 3.479 -0.000) 3.479 9.621 ( 0.000 6.703 -0.000) 6.703 9.846 ( 0.000 6.593 -0.000) 6.593 10.222 ( 0.000 -3.360 0.000) 3.360 10.295 ( 0.000 -9.217 -0.000) 9.217 10.401 ( 0.000 -0.334 -0.000) 0.334 10.556 ( 0.000 -0.047 -0.000) 0.047 12.822 ( 0.000 2.552 -0.000) 2.552 13.035 ( -0.000 2.021 0.000) 2.021 13.085 ( 0.000 -0.928 -0.000) 0.928 13.088 ( 0.000 -3.166 0.000) 3.166 13.226 ( 0.000 -0.810 0.000) 0.810 13.238 ( 0.000 2.142 -0.000) 2.142 13.280 ( 0.000 0.167 -0.000) 0.167 13.345 ( 0.000 -0.236 -0.000) 0.236 14.153 ( -0.000 2.365 0.000) 2.365 14.159 ( 0.000 -0.901 -0.000) 0.901 14.197 ( 0.000 -0.793 0.000) 0.793 14.237 ( 0.000 2.593 -0.000) 2.593 14.335 ( 0.000 6.127 0.000) 6.127 14.614 ( 0.000 -2.259 0.000) 2.259 14.726 ( 0.000 -2.375 0.000) 2.375 14.733 ( 0.000 -2.261 0.000) 2.261 14.850 ( -0.000 0.478 0.000) 0.478 14.852 ( 0.000 5.098 -0.000) 5.098 14.907 ( 0.000 4.272 -0.000) 4.272 15.050 ( 0.000 -5.700 0.000) 5.700 15.185 ( 0.000 2.701 0.000) 2.701 15.285 ( 0.000 1.434 -0.000) 1.434 15.336 ( 0.000 4.868 0.000) 4.868 15.356 ( 0.000 5.447 -0.000) 5.447 15.884 ( 0.000 -3.763 -0.000) 3.763 16.135 ( 0.000 -3.819 -0.000) 3.819 16.140 ( 0.000 5.308 0.000) 5.308 16.337 ( 0.000 -2.298 -0.000) 2.298 16.637 ( 0.000 -2.369 -0.000) 2.369 16.669 ( 0.000 5.204 -0.000) 5.204 16.692 ( -0.000 -8.098 0.000) 8.098 16.984 ( 0.000 1.903 0.000) 1.903 18.225 ( 0.000 -1.846 0.000) 1.846 18.247 ( 0.000 -2.846 -0.000) 2.846 18.382 ( 0.000 3.712 -0.000) 3.712 18.431 ( 0.000 2.479 -0.000) 2.479 18.685 ( 0.000 -1.414 0.000) 1.414 18.769 ( 0.000 -1.147 -0.000) 1.147 18.886 ( 0.000 5.353 0.000) 5.353 18.977 ( 0.000 3.297 -0.000) 3.297 19.050 ( 0.000 -0.565 -0.000) 0.565 19.064 ( 0.000 -0.134 -0.000) 0.134 19.220 ( 0.000 -0.433 0.000) 0.433 19.498 ( 0.000 -2.515 -0.000) 2.515 19.614 ( 0.000 0.242 -0.000) 0.242 19.832 ( 0.000 -9.072 -0.000) 9.072 19.893 ( 0.000 2.036 0.000) 2.036 20.085 ( 0.000 0.682 0.000) 0.682 20.561 ( 0.000 1.673 0.000) 1.673 20.574 ( 0.000 1.998 -0.000) 1.998 20.771 ( 0.000 -3.438 -0.000) 3.438 20.999 ( 0.000 -6.933 -0.000) 6.933 21.338 ( 0.000 -2.350 0.000) 2.350 21.351 ( 0.000 -1.506 -0.000) 1.506 21.405 ( 0.000 1.059 0.000) 1.059 21.423 ( 0.000 1.720 0.000) 1.720 21.866 ( 0.000 -0.314 0.000) 0.314 21.891 ( 0.000 -1.987 0.000) 1.987 21.933 ( 0.000 1.233 -0.000) 1.233 21.972 ( 0.000 1.082 0.000) 1.082 22.174 ( 0.000 1.032 -0.000) 1.032 22.196 ( 0.000 0.505 -0.000) 0.505 22.344 ( 0.000 0.420 -0.000) 0.420 22.434 ( 0.000 -0.774 0.000) 0.774 ======================= Grid point 14 (9/64) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.609 ( 0.000 14.054 0.000) 14.054 0.852 ( 0.000 23.290 0.000) 23.290 1.142 ( 0.000 -11.613 0.000) 11.613 1.473 ( 0.000 -8.400 0.000) 8.400 1.604 ( 0.000 26.904 0.000) 26.904 1.645 ( 0.000 3.721 0.000) 3.721 1.793 ( 0.000 -3.367 0.000) 3.367 2.084 ( 0.000 -0.248 0.000) 0.248 2.136 ( 0.000 9.533 0.000) 9.533 2.186 ( 0.000 -17.588 0.000) 17.588 2.260 ( 0.000 0.238 0.000) 0.238 2.330 ( 0.000 -3.086 0.000) 3.086 2.444 ( 0.000 1.308 0.000) 1.308 2.467 ( 0.000 10.212 0.000) 10.212 2.486 ( 0.000 9.218 0.000) 9.218 2.634 ( 0.000 5.191 0.000) 5.191 2.732 ( 0.000 -6.825 0.000) 6.825 2.776 ( 0.000 3.828 0.000) 3.828 2.825 ( 0.000 3.563 0.000) 3.563 3.027 ( 0.000 -5.910 0.000) 5.910 3.126 ( 0.000 -6.029 0.000) 6.029 3.166 ( 0.000 -4.276 0.000) 4.276 3.177 ( 0.000 2.452 0.000) 2.452 3.256 ( 0.000 -0.045 0.000) 0.045 3.298 ( 0.000 1.973 0.000) 1.973 3.340 ( 0.000 -11.924 0.000) 11.924 3.373 ( 0.000 -5.564 0.000) 5.564 3.373 ( 0.000 -2.093 0.000) 2.093 3.458 ( 0.000 -0.197 0.000) 0.197 3.508 ( 0.000 5.535 0.000) 5.535 3.583 ( 0.000 -5.105 0.000) 5.105 3.638 ( 0.000 0.770 0.000) 0.770 3.707 ( 0.000 3.945 0.000) 3.945 3.779 ( 0.000 -2.577 0.000) 2.577 3.836 ( 0.000 2.829 0.000) 2.829 3.840 ( 0.000 -0.870 0.000) 0.870 3.880 ( 0.000 3.345 0.000) 3.345 3.984 ( 0.000 -0.316 0.000) 0.316 4.034 ( 0.000 -3.241 0.000) 3.241 4.085 ( 0.000 -0.039 0.000) 0.039 4.207 ( 0.000 3.652 0.000) 3.652 4.236 ( 0.000 -1.567 0.000) 1.567 4.280 ( 0.000 -2.035 0.000) 2.035 4.457 ( 0.000 0.365 0.000) 0.365 4.553 ( 0.000 -19.544 0.000) 19.544 4.599 ( 0.000 -0.536 0.000) 0.536 4.649 ( 0.000 -9.203 0.000) 9.203 4.716 ( 0.000 -3.978 0.000) 3.978 4.783 ( 0.000 2.324 0.000) 2.324 4.863 ( 0.000 -6.335 0.000) 6.335 4.879 ( 0.000 -4.893 0.000) 4.893 4.993 ( 0.000 -6.259 0.000) 6.259 5.191 ( 0.000 13.465 0.000) 13.465 5.233 ( 0.000 -5.498 0.000) 5.498 5.276 ( 0.000 -5.364 0.000) 5.364 5.411 ( 0.000 0.288 0.000) 0.288 5.422 ( 0.000 -2.178 0.000) 2.178 5.575 ( 0.000 -6.276 0.000) 6.276 5.669 ( 0.000 4.056 0.000) 4.056 5.691 ( 0.000 3.084 0.000) 3.084 5.811 ( 0.000 -4.403 0.000) 4.403 5.857 ( 0.000 6.001 0.000) 6.001 5.887 ( 0.000 -4.814 0.000) 4.814 5.986 ( 0.000 3.941 0.000) 3.941 6.136 ( 0.000 0.162 0.000) 0.162 6.195 ( 0.000 -2.368 0.000) 2.368 6.405 ( 0.000 -2.184 0.000) 2.184 6.528 ( 0.000 -4.671 0.000) 4.671 6.548 ( 0.000 3.739 0.000) 3.739 6.564 ( 0.000 3.128 0.000) 3.128 6.594 ( 0.000 1.440 0.000) 1.440 6.657 ( 0.000 1.598 0.000) 1.598 6.921 ( 0.000 4.092 0.000) 4.092 6.992 ( 0.000 1.976 0.000) 1.976 7.046 ( 0.000 -0.438 0.000) 0.438 7.101 ( 0.000 2.010 0.000) 2.010 7.139 ( 0.000 7.826 0.000) 7.826 7.150 ( 0.000 0.861 0.000) 0.861 7.201 ( 0.000 -1.589 0.000) 1.589 7.379 ( 0.000 0.188 0.000) 0.188 7.391 ( 0.000 0.292 0.000) 0.292 7.501 ( 0.000 -0.868 0.000) 0.868 7.522 ( 0.000 4.055 0.000) 4.055 7.549 ( 0.000 2.452 0.000) 2.452 7.622 ( 0.000 2.599 0.000) 2.599 7.817 ( 0.000 -14.186 0.000) 14.186 7.943 ( 0.000 0.282 0.000) 0.282 7.995 ( 0.000 -1.618 0.000) 1.618 8.087 ( 0.000 4.620 0.000) 4.620 8.204 ( 0.000 -0.874 0.000) 0.874 8.342 ( 0.000 4.279 0.000) 4.279 8.430 ( 0.000 1.041 0.000) 1.041 8.580 ( 0.000 0.940 0.000) 0.940 8.703 ( 0.000 3.518 0.000) 3.518 8.713 ( 0.000 2.923 0.000) 2.923 8.810 ( 0.000 -9.928 0.000) 9.928 9.356 ( 0.000 -1.010 0.000) 1.010 9.356 ( 0.000 0.624 0.000) 0.624 9.570 ( 0.000 8.979 0.000) 8.979 9.793 ( 0.000 -2.308 0.000) 2.308 10.116 ( 0.000 6.488 0.000) 6.488 10.281 ( 0.000 -1.918 0.000) 1.918 10.407 ( 0.000 3.354 0.000) 3.354 10.551 ( 0.000 -3.679 0.000) 3.679 12.978 ( 0.000 0.754 0.000) 0.754 13.015 ( 0.000 -1.803 0.000) 1.803 13.103 ( 0.000 2.497 0.000) 2.497 13.200 ( 0.000 -2.048 0.000) 2.048 13.299 ( 0.000 1.268 0.000) 1.268 13.302 ( 0.000 0.549 0.000) 0.549 13.343 ( 0.000 2.212 0.000) 2.212 13.421 ( 0.000 -1.349 0.000) 1.349 13.992 ( 0.000 4.941 0.000) 4.941 14.084 ( 0.000 -1.279 0.000) 1.279 14.146 ( 0.000 -0.640 0.000) 0.640 14.225 ( 0.000 -2.913 0.000) 2.913 14.478 ( 0.000 0.430 0.000) 0.430 14.530 ( 0.000 -2.705 0.000) 2.705 14.698 ( 0.000 1.554 0.000) 1.554 14.773 ( 0.000 -2.064 0.000) 2.064 14.874 ( 0.000 3.354 0.000) 3.354 14.928 ( 0.000 2.975 0.000) 2.975 14.966 ( 0.000 1.086 0.000) 1.086 14.999 ( 0.000 -1.971 0.000) 1.971 15.261 ( 0.000 3.583 0.000) 3.583 15.350 ( 0.000 -0.027 0.000) 0.027 15.564 ( 0.000 1.959 0.000) 1.959 15.683 ( 0.000 -0.286 0.000) 0.286 15.695 ( 0.000 -1.997 0.000) 1.997 15.706 ( 0.000 -3.958 0.000) 3.958 15.931 ( 0.000 8.094 0.000) 8.094 16.291 ( 0.000 -9.350 0.000) 9.350 16.644 ( 0.000 5.361 0.000) 5.361 16.820 ( 0.000 -3.278 0.000) 3.278 16.978 ( 0.000 2.796 0.000) 2.796 17.108 ( 0.000 -2.922 0.000) 2.922 18.214 ( 0.000 -0.889 0.000) 0.889 18.214 ( 0.000 -0.862 0.000) 0.862 18.415 ( 0.000 2.789 0.000) 2.789 18.471 ( 0.000 -0.592 0.000) 0.592 18.687 ( 0.000 0.832 0.000) 0.832 18.743 ( 0.000 -1.581 0.000) 1.581 18.821 ( 0.000 4.203 0.000) 4.203 18.938 ( 0.000 -1.724 0.000) 1.724 19.007 ( 0.000 0.007 0.000) 0.007 19.032 ( 0.000 -1.296 0.000) 1.296 19.400 ( 0.000 0.794 0.000) 0.794 19.401 ( 0.000 0.582 0.000) 0.582 19.642 ( 0.000 3.728 0.000) 3.728 19.709 ( 0.000 0.163 0.000) 0.163 19.938 ( 0.000 0.333 0.000) 0.333 20.028 ( 0.000 -1.923 0.000) 1.923 20.483 ( 0.000 -4.765 0.000) 4.765 20.510 ( 0.000 -2.649 0.000) 2.649 20.963 ( 0.000 1.459 0.000) 1.459 21.064 ( 0.000 -5.080 0.000) 5.080 21.427 ( 0.000 0.050 0.000) 0.050 21.433 ( 0.000 -0.577 0.000) 0.577 21.676 ( 0.000 2.033 0.000) 2.033 21.692 ( 0.000 0.102 0.000) 0.102 21.813 ( 0.000 0.915 0.000) 0.915 21.847 ( 0.000 -0.691 0.000) 0.691 21.882 ( 0.000 0.597 0.000) 0.597 21.953 ( 0.000 -1.814 0.000) 1.814 22.060 ( 0.000 2.446 0.000) 2.446 22.092 ( 0.000 0.473 0.000) 0.473 22.128 ( 0.000 0.963 0.000) 0.963 22.198 ( 0.000 -2.275 0.000) 2.275 ======================= Grid point 15 (10/64) ======================= q-point: ( 0.17 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.773 ( 13.980 10.661 -4.379) 18.119 1.006 ( 13.716 18.332 8.564) 24.444 1.248 ( 10.266 -11.785 -7.591) 17.375 1.470 ( 1.173 -3.772 6.533) 7.634 1.616 ( 0.654 9.980 0.068) 10.002 1.697 ( 4.530 4.158 -7.236) 9.496 1.784 ( -0.108 -2.344 2.764) 3.626 2.022 ( -3.911 1.805 -1.872) 4.696 2.142 ( -1.692 3.594 1.039) 4.106 2.169 ( -1.024 -9.574 -2.284) 9.896 2.290 ( -0.202 -2.050 -0.958) 2.272 2.333 ( -0.379 -3.546 0.108) 3.567 2.443 ( 0.828 3.314 1.900) 3.909 2.482 ( 1.577 8.601 0.115) 8.745 2.541 ( 0.151 4.409 3.804) 5.825 2.594 ( -0.034 2.364 -7.002) 7.391 2.707 ( 2.210 2.648 1.726) 3.857 2.723 ( -5.241 -3.409 0.147) 6.254 2.837 ( -1.736 3.190 4.575) 5.841 2.930 ( -9.266 -3.331 1.273) 9.928 3.031 ( -7.939 0.537 1.527) 8.102 3.099 ( -1.704 -5.876 -3.092) 6.855 3.168 ( -7.144 -0.072 2.471) 7.560 3.202 ( -0.652 0.200 0.122) 0.693 3.245 ( -0.733 -1.109 -2.951) 3.237 3.309 ( -1.699 -5.359 -0.828) 5.682 3.358 ( -1.494 -5.076 4.967) 7.257 3.387 ( -1.823 -4.628 0.180) 4.977 3.458 ( 0.409 1.320 4.011) 4.243 3.542 ( -0.088 1.262 -1.883) 2.269 3.643 ( -1.643 4.503 1.854) 5.139 3.660 ( 7.708 -2.922 -3.858) 9.101 3.746 ( -0.822 4.594 -1.977) 5.068 3.760 ( 4.279 3.167 3.984) 6.649 3.837 ( 2.336 -2.868 0.722) 3.768 3.872 ( 2.259 1.668 0.067) 2.809 3.938 ( 3.677 -1.022 -3.046) 4.883 4.016 ( 0.388 -4.105 -0.333) 4.137 4.029 ( 0.209 -1.794 0.270) 1.826 4.153 ( 3.234 -0.140 -4.232) 5.328 4.196 ( 0.034 3.095 0.759) 3.187 4.211 ( 1.090 2.975 0.646) 3.233 4.279 ( -0.189 -2.347 -5.228) 5.733 4.452 ( -6.809 -2.584 -4.860) 8.756 4.494 ( -0.918 0.773 -0.672) 1.375 4.556 ( 0.570 -11.091 2.568) 11.399 4.614 ( -2.333 -8.202 -1.655) 8.686 4.696 ( -1.938 -4.929 2.408) 5.818 4.799 ( -0.030 -3.117 -3.498) 4.685 4.851 ( 0.974 0.679 1.661) 2.042 4.916 ( -0.457 -6.923 2.112) 7.252 5.007 ( 1.358 -4.024 3.461) 5.479 5.186 ( -4.622 7.528 -2.672) 9.229 5.264 ( 2.381 2.733 5.988) 7.000 5.291 ( 4.169 -2.163 0.394) 4.713 5.379 ( -2.463 -2.613 -0.757) 3.670 5.403 ( -0.283 -0.359 -0.358) 0.581 5.573 ( 1.570 -5.888 -0.422) 6.108 5.656 ( 0.392 -0.177 -0.126) 0.449 5.702 ( -0.251 0.147 2.041) 2.061 5.776 ( -3.012 -1.030 4.402) 5.432 5.872 ( -0.782 -2.856 2.060) 3.607 5.908 ( 2.408 -1.929 -3.612) 4.751 5.990 ( 0.182 2.355 -2.039) 3.120 6.111 ( -2.100 0.010 -1.399) 2.524 6.177 ( -1.568 -0.028 0.808) 1.764 6.364 ( -1.971 -0.644 -9.280) 9.509 6.492 ( -4.666 0.697 1.093) 4.842 6.510 ( -3.650 -2.470 -3.455) 5.600 6.550 ( -1.602 1.056 -1.101) 2.212 6.615 ( 2.526 0.112 4.580) 5.232 6.653 ( 0.348 0.278 -0.720) 0.846 6.889 ( -1.190 1.788 -0.834) 2.304 6.908 ( -6.853 1.286 -4.177) 8.128 7.014 ( -6.233 2.487 3.642) 7.635 7.084 ( 0.256 -0.128 -0.314) 0.425 7.121 ( 3.231 -0.422 -3.756) 4.973 7.169 ( -0.407 -0.074 3.344) 3.369 7.233 ( 2.667 5.343 4.567) 7.518 7.409 ( 1.026 0.613 0.864) 1.475 7.457 ( 1.280 2.030 1.918) 3.072 7.503 ( 1.868 -0.453 -1.359) 2.354 7.542 ( 2.372 4.126 3.769) 6.071 7.566 ( 1.205 3.264 -2.911) 4.537 7.710 ( 7.988 1.345 1.937) 8.328 7.861 ( -0.799 -2.337 0.108) 2.472 7.878 ( -0.809 -3.481 6.721) 7.612 7.970 ( -0.975 -1.993 -0.631) 2.307 8.063 ( -1.333 2.021 -1.408) 2.800 8.127 ( -5.407 -2.126 0.351) 5.821 8.441 ( 5.279 4.554 1.084) 7.056 8.490 ( -0.345 1.067 -0.698) 1.321 8.596 ( 5.708 1.502 0.407) 5.916 8.707 ( -0.035 2.061 -0.947) 2.268 8.765 ( 2.107 2.388 -3.423) 4.675 8.815 ( 3.922 -6.087 -0.894) 7.296 9.382 ( 2.967 1.222 -2.153) 3.864 9.452 ( 7.019 -2.076 -7.484) 10.468 9.655 ( 6.954 5.928 1.520) 9.264 9.863 ( 6.552 -4.101 0.957) 7.789 10.104 ( -1.448 5.026 2.618) 5.849 10.257 ( -2.694 -2.334 3.089) 4.717 10.390 ( -0.948 3.954 -1.541) 4.349 10.553 ( 0.159 -3.809 -3.513) 5.185 12.958 ( -1.895 1.289 -1.305) 2.637 13.000 ( -1.334 -1.523 1.561) 2.556 13.102 ( -0.435 0.677 1.516) 1.716 13.123 ( -3.879 0.200 -3.497) 5.226 13.266 ( -1.985 2.311 0.886) 3.173 13.302 ( -1.959 1.422 0.342) 2.444 13.345 ( 0.066 0.345 1.199) 1.250 13.420 ( -1.216 -1.822 0.838) 2.345 14.018 ( 2.515 3.859 -0.814) 4.677 14.098 ( 2.381 -0.428 -3.046) 3.890 14.197 ( 3.033 -0.403 2.205) 3.771 14.256 ( 2.631 -1.886 0.140) 3.240 14.421 ( -3.499 1.937 0.508) 4.031 14.531 ( -0.115 -3.769 1.255) 3.974 14.714 ( 1.029 2.056 -0.149) 2.304 14.813 ( 2.221 -3.182 -2.744) 4.753 14.852 ( -2.117 4.017 -1.865) 4.909 14.934 ( 1.107 2.723 -0.529) 2.987 14.957 ( -1.132 -0.547 3.296) 3.528 14.986 ( -0.777 -0.120 -1.767) 1.934 15.252 ( -0.777 3.288 0.675) 3.445 15.351 ( -0.372 -1.343 2.663) 3.005 15.497 ( -5.578 2.337 -1.374) 6.202 15.607 ( -6.140 1.232 0.946) 6.334 15.666 ( 4.381 0.323 2.027) 4.838 15.877 ( 9.082 -4.833 4.577) 11.260 16.032 ( 7.639 5.423 -3.153) 9.884 16.289 ( -0.438 -5.367 -0.491) 5.407 16.525 ( -7.222 6.494 5.875) 11.351 16.781 ( -4.072 -4.851 -0.184) 6.336 16.983 ( -3.572 1.551 0.762) 3.969 17.073 ( -1.651 -1.800 0.522) 2.497 18.203 ( -0.479 -0.725 0.170) 0.886 18.214 ( -0.220 -1.296 -0.713) 1.496 18.424 ( 0.761 2.722 -1.627) 3.261 18.475 ( 0.170 -0.321 0.733) 0.819 18.679 ( -0.422 1.185 -0.451) 1.336 18.745 ( 0.137 -1.625 -2.089) 2.650 18.851 ( 2.913 4.795 -0.805) 5.668 18.990 ( 2.971 -1.296 0.592) 3.295 19.017 ( 0.818 -0.034 0.966) 1.267 19.056 ( 3.032 -3.264 -1.055) 4.579 19.322 ( -5.167 2.666 0.003) 5.814 19.420 ( -0.056 -2.184 0.311) 2.206 19.632 ( -0.692 2.533 -0.155) 2.630 19.716 ( 0.262 -1.420 -2.455) 2.848 19.953 ( 0.894 1.320 2.565) 3.020 20.031 ( 0.702 -0.836 -0.690) 1.292 20.473 ( 0.231 -1.932 1.252) 2.314 20.541 ( 2.224 -4.676 -1.985) 5.545 20.911 ( -4.574 1.110 0.657) 4.753 21.013 ( -4.975 -5.243 -0.317) 7.234 21.393 ( -2.398 0.973 2.305) 3.466 21.428 ( -2.777 -0.967 -0.016) 2.940 21.511 ( -6.909 3.857 -1.715) 8.096 21.599 ( -7.379 -0.640 -2.518) 7.823 21.820 ( 0.765 0.580 0.100) 0.966 21.843 ( 0.001 -0.261 -0.082) 0.273 21.931 ( 2.161 0.516 0.263) 2.237 21.970 ( 0.567 -0.633 -0.450) 0.962 22.100 ( 3.253 1.603 -0.079) 3.628 22.112 ( 3.230 1.247 0.720) 3.537 22.220 ( 5.495 0.227 0.116) 5.501 22.298 ( 6.901 -3.858 0.114) 7.907 ======================= Grid point 16 (11/64) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( 16.643 3.943 -2.147) 17.238 1.359 ( 18.305 10.364 8.880) 22.833 1.490 ( 12.262 -13.486 -7.839) 19.842 1.543 ( 4.292 3.967 4.340) 7.280 1.604 ( -0.907 -2.373 -1.336) 2.870 1.733 ( -0.903 0.642 0.311) 1.151 1.820 ( 3.734 -4.146 -6.933) 8.900 1.966 ( -3.030 -0.253 -2.246) 3.780 2.055 ( -8.314 -6.411 -1.095) 10.556 2.106 ( -1.519 3.361 0.107) 3.690 2.249 ( -7.222 3.778 -1.162) 8.233 2.293 ( -2.132 -11.534 1.778) 11.863 2.403 ( -2.254 -1.664 -0.521) 2.850 2.457 ( 0.991 0.230 0.001) 1.018 2.575 ( -1.469 3.020 0.770) 3.445 2.626 ( -3.039 -8.488 5.953) 10.804 2.658 ( -2.887 3.410 3.701) 5.802 2.696 ( -3.637 2.583 -0.417) 4.480 2.750 ( 1.068 -1.512 1.781) 2.569 2.827 ( -4.343 -4.459 -0.478) 6.243 2.988 ( 4.863 2.827 2.706) 6.242 3.014 ( -5.536 4.963 -3.481) 8.210 3.069 ( 0.499 -2.474 -3.672) 4.456 3.164 ( -2.757 0.751 -0.239) 2.867 3.238 ( -2.523 4.572 -2.560) 5.816 3.279 ( -1.162 0.829 0.025) 1.427 3.328 ( 2.845 -1.631 1.845) 3.763 3.421 ( 2.627 -3.795 6.278) 7.792 3.507 ( 2.284 -0.126 2.818) 3.630 3.550 ( 1.547 4.709 2.330) 5.477 3.590 ( -3.452 2.835 -3.174) 5.480 3.684 ( 0.889 1.565 -3.805) 4.209 3.760 ( -1.477 -2.725 -0.372) 3.122 3.814 ( 0.322 -2.788 5.329) 6.023 3.882 ( 1.068 5.840 0.438) 5.953 3.937 ( -2.256 -0.267 5.256) 5.726 3.973 ( 1.517 -2.354 -2.058) 3.476 4.022 ( 0.827 -0.495 2.094) 2.305 4.050 ( 4.012 -1.546 -7.462) 8.613 4.144 ( -0.053 2.526 -5.558) 6.106 4.209 ( -0.118 3.723 -2.305) 4.380 4.277 ( 2.465 -0.917 -0.669) 2.714 4.298 ( 1.522 -2.748 -3.054) 4.381 4.332 ( -2.125 2.390 -1.707) 3.625 4.447 ( -0.769 -1.859 -0.317) 2.036 4.519 ( -5.860 -5.298 2.001) 8.150 4.620 ( -1.531 -4.480 -0.556) 4.767 4.671 ( 1.106 -9.741 -0.655) 9.826 4.778 ( -1.097 0.499 0.804) 1.448 4.833 ( -1.281 0.220 1.367) 1.886 4.911 ( -2.128 -3.156 -2.723) 4.681 4.995 ( -0.858 -4.954 2.347) 5.549 5.149 ( 2.274 4.414 3.564) 6.112 5.291 ( -2.448 2.799 0.044) 3.719 5.357 ( 3.111 3.498 -2.880) 5.496 5.385 ( 0.857 1.402 2.808) 3.253 5.425 ( 5.847 -3.221 2.814) 7.244 5.647 ( -0.002 1.102 2.542) 2.771 5.655 ( 1.007 -7.944 -3.665) 8.807 5.718 ( -1.766 -3.209 5.788) 6.850 5.748 ( 5.196 -3.473 -1.248) 6.374 5.846 ( -1.109 -2.807 3.658) 4.742 5.916 ( -1.039 -0.974 -1.630) 2.164 5.982 ( -1.098 -2.312 -8.570) 8.944 6.060 ( -1.908 -0.800 1.065) 2.327 6.139 ( -3.382 -1.182 2.972) 4.655 6.299 ( -3.888 1.143 -4.907) 6.364 6.370 ( -5.791 -1.698 0.840) 6.093 6.427 ( -3.018 -5.501 -3.426) 7.149 6.518 ( -0.852 -0.039 -3.077) 3.193 6.648 ( 0.797 2.049 -3.289) 3.956 6.722 ( 3.072 -2.505 1.024) 4.094 6.775 ( -3.312 1.494 -0.077) 3.634 6.896 ( -0.920 -3.339 8.117) 8.825 6.927 ( -0.117 4.286 -2.879) 5.164 7.051 ( -1.748 -2.097 -0.702) 2.819 7.157 ( 1.356 0.239 -4.165) 4.386 7.208 ( 0.531 -0.061 2.267) 2.329 7.306 ( 3.748 5.369 5.901) 8.815 7.412 ( 0.477 1.766 0.697) 1.958 7.446 ( -1.552 1.185 -2.708) 3.339 7.502 ( -1.745 -1.777 2.211) 3.330 7.562 ( -1.228 5.678 -0.616) 5.842 7.621 ( 3.298 5.271 0.813) 6.270 7.768 ( -3.111 7.207 2.452) 8.224 7.890 ( 6.933 -1.375 2.185) 7.398 7.943 ( 0.800 -1.174 -1.124) 1.811 7.998 ( 1.318 0.342 -1.791) 2.250 8.043 ( 4.308 -4.734 4.074) 7.587 8.074 ( 0.165 -1.431 0.056) 1.442 8.378 ( -6.054 2.426 -0.815) 6.573 8.474 ( -5.386 -0.946 0.632) 5.504 8.675 ( 2.239 1.656 -1.096) 2.993 8.757 ( 2.539 5.687 -1.093) 6.323 8.795 ( 3.241 -0.861 -0.166) 3.358 8.942 ( 6.066 -2.826 -1.652) 6.893 9.473 ( 6.278 3.197 -5.255) 8.790 9.574 ( 5.815 1.492 -1.816) 6.272 9.763 ( 2.637 7.532 4.169) 9.004 9.990 ( 2.797 -2.563 -3.205) 4.966 10.074 ( 0.165 -0.990 -0.070) 1.006 10.194 ( -3.536 -3.991 5.250) 7.483 10.388 ( 0.926 3.038 0.131) 3.179 10.541 ( -0.804 -3.626 -4.242) 5.639 12.904 ( -2.613 2.432 0.224) 3.577 12.996 ( 0.594 -2.455 0.820) 2.655 13.062 ( -0.632 1.344 -1.484) 2.100 13.116 ( 0.177 -1.002 -0.192) 1.035 13.221 ( -1.945 1.940 0.399) 2.775 13.269 ( -1.303 1.044 0.318) 1.700 13.322 ( -2.063 0.234 0.718) 2.197 13.373 ( -2.949 -1.500 0.290) 3.322 14.082 ( 3.872 1.916 -1.105) 4.459 14.158 ( 2.802 -1.435 -1.669) 3.563 14.244 ( 1.394 2.452 0.486) 2.862 14.268 ( -1.416 1.793 0.511) 2.342 14.412 ( 2.255 2.289 1.779) 3.673 14.544 ( 1.422 -3.987 1.764) 4.586 14.710 ( -1.488 0.891 -2.100) 2.724 14.759 ( -4.964 -1.018 -1.163) 5.199 14.851 ( 0.749 1.156 -3.093) 3.386 14.938 ( -0.090 -2.309 -1.556) 2.786 14.966 ( 0.921 2.352 1.261) 2.823 14.982 ( 0.526 3.503 1.038) 3.691 15.239 ( -0.447 2.824 0.792) 2.967 15.339 ( -1.455 -1.109 2.090) 2.778 15.411 ( -1.961 3.982 1.104) 4.574 15.501 ( -4.333 2.271 -0.308) 4.901 15.787 ( 5.995 1.442 1.942) 6.464 16.030 ( 4.527 -6.475 2.852) 8.399 16.171 ( 6.155 4.574 -3.492) 8.426 16.270 ( -0.684 2.216 5.232) 5.723 16.483 ( 2.137 -2.605 -1.025) 3.522 16.667 ( -6.860 -7.350 1.342) 10.143 16.863 ( -6.179 5.543 -0.115) 8.302 17.030 ( -3.168 -2.127 0.300) 3.827 18.197 ( -0.173 -0.992 -0.142) 1.017 18.208 ( -0.235 -1.527 -0.348) 1.583 18.436 ( 0.636 2.714 -1.671) 3.251 18.475 ( -0.271 0.659 1.083) 1.296 18.674 ( -0.028 0.821 -0.317) 0.881 18.743 ( 0.060 -1.746 -1.870) 2.559 18.929 ( 4.863 6.146 -0.787) 7.877 19.024 ( 0.891 0.428 0.087) 0.992 19.033 ( 0.600 -0.063 1.015) 1.180 19.118 ( 0.915 -1.471 -0.328) 1.763 19.221 ( -3.620 1.888 0.668) 4.137 19.412 ( -0.586 -5.746 0.078) 5.776 19.622 ( -0.219 1.209 0.386) 1.287 19.705 ( -0.782 -4.042 -2.953) 5.066 19.956 ( -0.737 3.023 1.501) 3.454 20.058 ( 1.460 -1.178 0.465) 1.933 20.514 ( 3.433 -0.091 1.429) 3.720 20.585 ( 2.538 -2.227 -2.211) 4.037 20.805 ( -6.121 -0.556 0.109) 6.147 20.901 ( -4.673 -5.832 -0.123) 7.474 21.332 ( -3.221 0.426 0.905) 3.373 21.356 ( -2.762 -0.749 -0.279) 2.876 21.449 ( -1.669 1.247 -0.256) 2.099 21.478 ( -3.780 -0.206 -0.527) 3.822 21.845 ( 1.385 -0.434 0.676) 1.601 21.851 ( 0.662 -0.313 0.372) 0.821 21.953 ( 0.418 0.813 -0.392) 0.994 21.978 ( 0.365 -0.198 -0.712) 0.824 22.169 ( 2.847 1.198 -0.425) 3.117 22.176 ( 2.719 0.927 -0.387) 2.899 22.318 ( 3.778 0.975 0.175) 3.906 22.392 ( 2.419 -2.641 0.366) 3.600 ======================= Grid point 17 (12/64) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.373 ( 0.000 -6.103 -0.000) 6.103 1.411 ( -0.000 -1.769 0.000) 1.769 1.610 ( 0.000 9.075 -0.000) 9.075 1.636 ( -0.000 -4.349 0.000) 4.349 1.693 ( -0.000 7.781 0.000) 7.781 1.759 ( 0.000 -13.247 -0.000) 13.247 1.836 ( 0.000 3.923 -0.000) 3.923 1.921 ( 0.000 -4.413 0.000) 4.413 1.925 ( 0.000 -0.931 -0.000) 0.931 2.073 ( -0.000 -6.084 0.000) 6.084 2.104 ( 0.000 3.257 -0.000) 3.257 2.283 ( 0.000 -10.710 -0.000) 10.710 2.379 ( -0.000 0.078 0.000) 0.078 2.488 ( 0.000 -5.752 -0.000) 5.752 2.514 ( -0.000 -1.647 0.000) 1.647 2.600 ( 0.000 -3.673 0.000) 3.673 2.606 ( 0.000 1.426 -0.000) 1.426 2.707 ( 0.000 -5.950 -0.000) 5.950 2.731 ( 0.000 -0.862 0.000) 0.862 2.774 ( 0.000 -5.556 -0.000) 5.556 2.959 ( 0.000 5.375 -0.000) 5.375 3.057 ( 0.000 -2.392 0.000) 2.392 3.122 ( 0.000 2.598 -0.000) 2.598 3.160 ( 0.000 5.333 0.000) 5.333 3.163 ( -0.000 5.493 -0.000) 5.493 3.277 ( 0.000 5.173 0.000) 5.173 3.370 ( 0.000 -3.113 -0.000) 3.113 3.447 ( 0.000 6.533 0.000) 6.533 3.513 ( 0.000 -0.316 -0.000) 0.316 3.532 ( -0.000 -0.511 -0.000) 0.511 3.686 ( 0.000 5.487 0.000) 5.487 3.688 ( 0.000 5.748 -0.000) 5.748 3.727 ( 0.000 -8.149 -0.000) 8.149 3.786 ( -0.000 1.770 0.000) 1.770 3.859 ( 0.000 -0.534 0.000) 0.534 3.882 ( -0.000 2.423 -0.000) 2.423 3.959 ( 0.000 -1.232 -0.000) 1.232 4.057 ( 0.000 -2.501 -0.000) 2.501 4.104 ( 0.000 -3.878 0.000) 3.878 4.167 ( 0.000 6.929 0.000) 6.929 4.212 ( 0.000 0.225 -0.000) 0.225 4.222 ( 0.000 1.994 0.000) 1.994 4.340 ( 0.000 0.857 -0.000) 0.857 4.364 ( -0.000 -4.704 0.000) 4.704 4.385 ( 0.000 0.867 0.000) 0.867 4.527 ( 0.000 -6.463 0.000) 6.463 4.573 ( 0.000 1.252 -0.000) 1.252 4.631 ( 0.000 -2.887 -0.000) 2.887 4.805 ( 0.000 -1.273 0.000) 1.273 4.810 ( -0.000 -2.999 -0.000) 2.999 4.880 ( 0.000 -3.683 0.000) 3.683 4.990 ( 0.000 -7.756 -0.000) 7.756 5.194 ( 0.000 1.268 -0.000) 1.268 5.262 ( 0.000 6.752 -0.000) 6.752 5.384 ( 0.000 4.511 -0.000) 4.511 5.401 ( 0.000 2.435 -0.000) 2.435 5.556 ( 0.000 -2.784 -0.000) 2.784 5.582 ( 0.000 -5.519 0.000) 5.519 5.671 ( 0.000 -0.927 -0.000) 0.927 5.690 ( 0.000 -2.375 0.000) 2.375 5.826 ( 0.000 -0.962 0.000) 0.962 5.844 ( -0.000 -0.301 -0.000) 0.301 5.939 ( 0.000 -3.918 0.000) 3.918 5.946 ( -0.000 -5.655 -0.000) 5.655 6.039 ( 0.000 -1.360 0.000) 1.360 6.065 ( 0.000 -6.107 -0.000) 6.107 6.247 ( 0.000 1.171 -0.000) 1.171 6.311 ( 0.000 -3.005 0.000) 3.005 6.395 ( 0.000 -5.531 -0.000) 5.531 6.507 ( 0.000 -1.058 0.000) 1.058 6.669 ( -0.000 2.706 0.000) 2.706 6.673 ( 0.000 -1.375 -0.000) 1.375 6.815 ( 0.000 0.846 -0.000) 0.846 6.871 ( 0.000 0.689 0.000) 0.689 6.984 ( -0.000 -4.749 -0.000) 4.749 7.007 ( 0.000 2.035 -0.000) 2.035 7.182 ( -0.000 -0.480 0.000) 0.480 7.189 ( 0.000 2.636 -0.000) 2.636 7.374 ( 0.000 -1.398 0.000) 1.398 7.393 ( -0.000 -1.352 -0.000) 1.352 7.447 ( 0.000 2.983 0.000) 2.983 7.463 ( -0.000 2.249 -0.000) 2.249 7.543 ( 0.000 7.035 -0.000) 7.035 7.655 ( 0.000 6.565 -0.000) 6.565 7.745 ( 0.000 6.889 -0.000) 6.889 7.922 ( 0.000 -3.089 0.000) 3.089 7.981 ( 0.000 -1.424 0.000) 1.424 7.994 ( 0.000 3.525 -0.000) 3.525 8.091 ( 0.000 0.166 -0.000) 0.166 8.168 ( 0.000 -6.247 -0.000) 6.247 8.301 ( 0.000 0.302 -0.000) 0.302 8.361 ( 0.000 -0.129 0.000) 0.129 8.697 ( 0.000 2.025 -0.000) 2.025 8.776 ( 0.000 7.876 0.000) 7.876 8.837 ( 0.000 -2.328 0.000) 2.328 9.005 ( 0.000 -3.492 -0.000) 3.492 9.554 ( 0.000 4.647 -0.000) 4.647 9.646 ( 0.000 1.802 -0.000) 1.802 9.783 ( 0.000 9.934 -0.000) 9.934 9.966 ( 0.000 5.053 -0.000) 5.053 10.130 ( -0.000 -6.275 0.000) 6.275 10.137 ( 0.000 -6.755 -0.000) 6.755 10.406 ( 0.000 1.365 0.000) 1.365 10.524 ( 0.000 -3.138 -0.000) 3.138 12.877 ( 0.000 3.058 -0.000) 3.058 13.004 ( 0.000 -4.158 -0.000) 4.158 13.078 ( -0.000 2.164 0.000) 2.164 13.096 ( 0.000 0.589 -0.000) 0.589 13.213 ( 0.000 -0.287 0.000) 0.287 13.249 ( 0.000 -0.898 -0.000) 0.898 13.295 ( 0.000 1.408 -0.000) 1.408 13.337 ( 0.000 -0.660 -0.000) 0.660 14.149 ( -0.000 -0.139 0.000) 0.139 14.164 ( 0.000 -0.653 0.000) 0.653 14.232 ( 0.000 3.374 -0.000) 3.374 14.279 ( 0.000 1.523 -0.000) 1.523 14.446 ( 0.000 5.276 -0.000) 5.276 14.575 ( 0.000 -2.135 0.000) 2.135 14.683 ( -0.000 -2.299 0.000) 2.299 14.686 ( 0.000 -1.809 -0.000) 1.809 14.858 ( 0.000 0.723 0.000) 0.723 14.936 ( 0.000 -1.105 0.000) 1.105 14.978 ( 0.000 2.266 -0.000) 2.266 14.991 ( 0.000 3.956 0.000) 3.956 15.237 ( 0.000 2.762 0.000) 2.762 15.313 ( 0.000 0.854 0.000) 0.854 15.421 ( 0.000 3.101 0.000) 3.101 15.439 ( -0.000 2.852 -0.000) 2.852 15.858 ( 0.000 2.253 -0.000) 2.253 16.062 ( 0.000 -4.191 -0.000) 4.191 16.244 ( 0.000 5.206 -0.000) 5.206 16.282 ( 0.000 -2.338 0.000) 2.338 16.535 ( 0.000 -7.729 -0.000) 7.729 16.564 ( -0.000 -5.086 0.000) 5.086 16.793 ( 0.000 7.164 0.000) 7.164 16.986 ( 0.000 -1.969 0.000) 1.969 18.195 ( 0.000 -1.106 0.000) 1.106 18.205 ( 0.000 -1.626 -0.000) 1.626 18.442 ( 0.000 2.628 0.000) 2.628 18.471 ( 0.000 1.400 -0.000) 1.400 18.674 ( 0.000 0.530 0.000) 0.530 18.743 ( 0.000 -1.820 -0.000) 1.820 19.012 ( -0.000 7.328 0.000) 7.328 19.031 ( 0.000 1.402 -0.000) 1.402 19.043 ( 0.000 0.258 -0.000) 0.258 19.074 ( 0.000 1.948 -0.000) 1.948 19.206 ( 0.000 -0.976 -0.000) 0.976 19.405 ( 0.000 -7.752 -0.000) 7.752 19.622 ( 0.000 0.559 -0.000) 0.559 19.691 ( 0.000 -5.041 -0.000) 5.041 19.947 ( 0.000 3.610 -0.000) 3.610 20.074 ( 0.000 -1.900 0.000) 1.900 20.561 ( 0.000 0.722 -0.000) 0.722 20.653 ( -0.000 4.387 -0.000) 4.387 20.688 ( 0.000 -4.997 -0.000) 4.997 20.856 ( 0.000 -7.506 -0.000) 7.506 21.303 ( 0.000 -1.191 0.000) 1.191 21.319 ( 0.000 -1.696 -0.000) 1.696 21.429 ( 0.000 1.276 0.000) 1.276 21.445 ( 0.000 0.672 0.000) 0.672 21.859 ( 0.000 -0.408 -0.000) 0.408 21.863 ( 0.000 -0.992 0.000) 0.992 21.956 ( 0.000 1.130 -0.000) 1.130 21.981 ( 0.000 -0.074 0.000) 0.074 22.197 ( 0.000 1.154 0.000) 1.154 22.207 ( 0.000 0.563 -0.000) 0.563 22.357 ( 0.000 1.046 -0.000) 1.046 22.412 ( 0.000 -1.505 0.000) 1.505 ======================= Grid point 21 (13/64) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.876 ( 0.000 -15.062 0.000) 15.062 0.876 ( 0.000 15.062 0.000) 15.062 1.233 ( 0.000 -16.652 0.000) 16.652 1.233 ( 0.000 16.652 0.000) 16.652 1.770 ( 0.000 -6.889 0.000) 6.889 1.770 ( 0.000 6.889 0.000) 6.889 1.843 ( 0.000 -10.661 0.000) 10.661 1.843 ( 0.000 10.661 0.000) 10.661 2.230 ( 0.000 -4.068 0.000) 4.068 2.230 ( 0.000 4.068 0.000) 4.068 2.278 ( 0.000 -2.295 0.000) 2.295 2.278 ( 0.000 2.295 0.000) 2.295 2.527 ( 0.000 -3.169 0.000) 3.169 2.527 ( 0.000 3.169 0.000) 3.169 2.632 ( 0.000 -3.819 0.000) 3.819 2.632 ( 0.000 3.819 0.000) 3.819 2.752 ( 0.000 -8.291 0.000) 8.291 2.752 ( 0.000 8.291 0.000) 8.291 2.927 ( 0.000 -8.773 0.000) 8.773 2.927 ( 0.000 8.773 0.000) 8.773 3.073 ( 0.000 -5.901 0.000) 5.901 3.073 ( 0.000 5.901 0.000) 5.901 3.185 ( 0.000 -6.421 0.000) 6.421 3.185 ( 0.000 6.421 0.000) 6.421 3.252 ( 0.000 -5.300 0.000) 5.300 3.252 ( 0.000 5.300 0.000) 5.300 3.348 ( 0.000 -1.679 0.000) 1.679 3.348 ( 0.000 1.679 0.000) 1.679 3.495 ( 0.000 -4.057 0.000) 4.057 3.495 ( 0.000 4.057 0.000) 4.057 3.640 ( 0.000 -3.382 0.000) 3.382 3.640 ( 0.000 3.382 0.000) 3.382 3.731 ( 0.000 -0.019 0.000) 0.019 3.731 ( 0.000 0.019 0.000) 0.019 3.836 ( 0.000 -0.473 0.000) 0.473 3.836 ( 0.000 0.473 0.000) 0.473 3.945 ( 0.000 -3.576 0.000) 3.576 3.945 ( 0.000 3.576 0.000) 3.576 4.098 ( 0.000 -4.206 0.000) 4.206 4.098 ( 0.000 4.206 0.000) 4.206 4.165 ( 0.000 -0.299 0.000) 0.299 4.165 ( 0.000 0.299 0.000) 0.299 4.314 ( 0.000 -5.514 0.000) 5.514 4.314 ( 0.000 5.514 0.000) 5.514 4.516 ( 0.000 -5.077 0.000) 5.077 4.516 ( 0.000 5.077 0.000) 5.077 4.641 ( 0.000 -4.242 0.000) 4.242 4.641 ( 0.000 4.242 0.000) 4.242 4.819 ( 0.000 -1.153 0.000) 1.153 4.819 ( 0.000 1.153 0.000) 1.153 4.869 ( 0.000 -6.292 0.000) 6.292 4.869 ( 0.000 6.292 0.000) 6.292 5.189 ( 0.000 -1.775 0.000) 1.775 5.189 ( 0.000 1.775 0.000) 1.775 5.385 ( 0.000 -3.971 0.000) 3.971 5.385 ( 0.000 3.971 0.000) 3.971 5.433 ( 0.000 -6.144 0.000) 6.144 5.433 ( 0.000 6.144 0.000) 6.144 5.741 ( 0.000 -1.345 0.000) 1.345 5.741 ( 0.000 1.345 0.000) 1.345 5.791 ( 0.000 -4.030 0.000) 4.030 5.791 ( 0.000 4.030 0.000) 4.030 5.984 ( 0.000 -5.302 0.000) 5.302 5.984 ( 0.000 5.302 0.000) 5.302 6.150 ( 0.000 -1.141 0.000) 1.141 6.150 ( 0.000 1.141 0.000) 1.141 6.418 ( 0.000 -4.323 0.000) 4.323 6.418 ( 0.000 4.323 0.000) 4.323 6.586 ( 0.000 -0.257 0.000) 0.257 6.586 ( 0.000 0.257 0.000) 0.257 6.639 ( 0.000 -2.990 0.000) 2.990 6.639 ( 0.000 2.990 0.000) 2.990 6.985 ( 0.000 -1.531 0.000) 1.531 6.985 ( 0.000 1.531 0.000) 1.531 7.079 ( 0.000 -2.576 0.000) 2.576 7.079 ( 0.000 2.576 0.000) 2.576 7.169 ( 0.000 -1.384 0.000) 1.384 7.169 ( 0.000 1.384 0.000) 1.384 7.338 ( 0.000 -7.130 0.000) 7.130 7.338 ( 0.000 7.130 0.000) 7.130 7.430 ( 0.000 -5.813 0.000) 5.813 7.430 ( 0.000 5.813 0.000) 5.813 7.582 ( 0.000 -1.480 0.000) 1.480 7.582 ( 0.000 1.480 0.000) 1.480 7.640 ( 0.000 -1.901 0.000) 1.901 7.640 ( 0.000 1.901 0.000) 1.901 7.960 ( 0.000 -1.762 0.000) 1.762 7.960 ( 0.000 1.762 0.000) 1.762 8.163 ( 0.000 -3.331 0.000) 3.331 8.163 ( 0.000 3.331 0.000) 3.331 8.420 ( 0.000 -2.694 0.000) 2.694 8.420 ( 0.000 2.694 0.000) 2.694 8.639 ( 0.000 -5.740 0.000) 5.740 8.639 ( 0.000 5.740 0.000) 5.740 8.751 ( 0.000 -1.131 0.000) 1.131 8.751 ( 0.000 1.131 0.000) 1.131 9.349 ( 0.000 -0.387 0.000) 0.387 9.349 ( 0.000 0.387 0.000) 0.387 9.716 ( 0.000 -6.107 0.000) 6.107 9.716 ( 0.000 6.107 0.000) 6.107 10.222 ( 0.000 -4.567 0.000) 4.567 10.222 ( 0.000 4.567 0.000) 4.567 10.478 ( 0.000 -4.062 0.000) 4.062 10.478 ( 0.000 4.062 0.000) 4.062 12.991 ( 0.000 -0.840 0.000) 0.840 12.991 ( 0.000 0.840 0.000) 0.840 13.153 ( 0.000 -2.755 0.000) 2.755 13.153 ( 0.000 2.755 0.000) 2.755 13.310 ( 0.000 -0.063 0.000) 0.063 13.310 ( 0.000 0.063 0.000) 0.063 13.387 ( 0.000 -2.251 0.000) 2.251 13.387 ( 0.000 2.251 0.000) 2.251 14.057 ( 0.000 -1.989 0.000) 1.989 14.057 ( 0.000 1.989 0.000) 1.989 14.169 ( 0.000 -2.882 0.000) 2.882 14.169 ( 0.000 2.882 0.000) 2.882 14.492 ( 0.000 -1.332 0.000) 1.332 14.492 ( 0.000 1.332 0.000) 1.332 14.731 ( 0.000 -2.098 0.000) 2.098 14.731 ( 0.000 2.098 0.000) 2.098 14.946 ( 0.000 -3.672 0.000) 3.672 14.946 ( 0.000 3.672 0.000) 3.672 14.968 ( 0.000 -0.961 0.000) 0.961 14.968 ( 0.000 0.961 0.000) 0.961 15.324 ( 0.000 -2.690 0.000) 2.690 15.324 ( 0.000 2.690 0.000) 2.690 15.623 ( 0.000 -4.174 0.000) 4.174 15.623 ( 0.000 4.174 0.000) 4.174 15.678 ( 0.000 -0.169 0.000) 0.169 15.678 ( 0.000 0.169 0.000) 0.169 16.105 ( 0.000 -10.139 0.000) 10.139 16.105 ( 0.000 10.139 0.000) 10.139 16.743 ( 0.000 -4.955 0.000) 4.955 16.743 ( 0.000 4.955 0.000) 4.955 17.042 ( 0.000 -3.845 0.000) 3.845 17.042 ( 0.000 3.845 0.000) 3.845 18.205 ( 0.000 -0.056 0.000) 0.056 18.205 ( 0.000 0.056 0.000) 0.056 18.454 ( 0.000 -1.378 0.000) 1.378 18.454 ( 0.000 1.378 0.000) 1.378 18.711 ( 0.000 -1.664 0.000) 1.664 18.711 ( 0.000 1.664 0.000) 1.664 18.892 ( 0.000 -3.261 0.000) 3.261 18.892 ( 0.000 3.261 0.000) 3.261 19.013 ( 0.000 -0.697 0.000) 0.697 19.013 ( 0.000 0.697 0.000) 0.697 19.408 ( 0.000 -0.028 0.000) 0.028 19.408 ( 0.000 0.028 0.000) 0.028 19.698 ( 0.000 -1.752 0.000) 1.752 19.698 ( 0.000 1.752 0.000) 1.752 19.971 ( 0.000 -3.245 0.000) 3.245 19.971 ( 0.000 3.245 0.000) 3.245 20.460 ( 0.000 -1.792 0.000) 1.792 20.460 ( 0.000 1.792 0.000) 1.792 20.996 ( 0.000 -2.403 0.000) 2.403 20.996 ( 0.000 2.403 0.000) 2.403 21.427 ( 0.000 -0.109 0.000) 0.109 21.427 ( 0.000 0.109 0.000) 0.109 21.694 ( 0.000 -0.126 0.000) 0.126 21.694 ( 0.000 0.126 0.000) 0.126 21.831 ( 0.000 -0.963 0.000) 0.963 21.831 ( 0.000 0.963 0.000) 0.963 21.912 ( 0.000 -2.267 0.000) 2.267 21.912 ( 0.000 2.267 0.000) 2.267 22.091 ( 0.000 -0.753 0.000) 0.753 22.091 ( 0.000 0.753 0.000) 0.753 22.156 ( 0.000 -2.080 0.000) 2.080 22.156 ( 0.000 2.080 0.000) 2.080 ======================= Grid point 23 (14/64) ======================= q-point: ( 0.17 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( 10.730 -13.504 -8.152) 19.078 0.993 ( 10.730 13.504 -8.152) 19.078 1.311 ( 7.643 -12.749 7.516) 16.657 1.311 ( 7.643 12.749 7.516) 16.657 1.737 ( -3.166 -5.516 -5.673) 8.522 1.737 ( -3.166 5.516 -5.673) 8.522 1.841 ( 0.239 -12.516 2.322) 12.732 1.841 ( 0.239 12.516 2.322) 12.732 2.162 ( -3.957 -8.503 2.352) 9.669 2.162 ( -3.957 8.503 2.352) 9.669 2.289 ( -1.339 -0.649 -0.799) 1.689 2.289 ( -1.339 0.649 -0.799) 1.689 2.545 ( -1.068 -4.247 0.366) 4.394 2.545 ( -1.068 4.247 0.366) 4.394 2.597 ( -2.909 -1.693 -0.515) 3.405 2.597 ( -2.909 1.693 -0.515) 3.405 2.751 ( 0.163 -4.474 -0.809) 4.550 2.751 ( 0.163 4.474 -0.809) 4.550 2.882 ( -3.772 -7.901 -2.526) 9.112 2.882 ( -3.772 7.901 -2.526) 9.112 3.037 ( -5.146 -8.001 3.190) 10.034 3.037 ( -5.146 8.001 3.190) 10.034 3.196 ( -0.579 -3.658 0.890) 3.809 3.196 ( -0.579 3.658 0.890) 3.809 3.230 ( 0.601 -1.775 2.185) 2.879 3.230 ( 0.601 1.775 2.185) 2.879 3.264 ( 0.023 -4.979 2.984) 5.805 3.264 ( 0.023 4.979 2.984) 5.805 3.571 ( -1.615 -3.385 -2.616) 4.573 3.571 ( -1.615 3.385 -2.616) 4.573 3.630 ( 1.676 -4.230 2.787) 5.336 3.630 ( 1.676 4.230 2.787) 5.336 3.791 ( 2.689 -0.394 -1.259) 2.995 3.791 ( 2.689 0.394 -1.259) 2.995 3.856 ( 3.981 -4.870 -2.024) 6.607 3.856 ( 3.981 4.870 -2.024) 6.607 3.929 ( 0.421 -3.661 0.816) 3.774 3.929 ( 0.421 3.661 0.816) 3.774 4.112 ( -0.905 -9.217 0.041) 9.261 4.112 ( -0.905 9.217 0.041) 9.261 4.202 ( 3.914 -3.285 -5.397) 7.432 4.202 ( 3.914 3.285 -5.397) 7.432 4.296 ( -0.058 -6.316 -3.501) 7.221 4.296 ( -0.058 6.316 -3.501) 7.221 4.515 ( -1.027 -1.474 2.715) 3.256 4.515 ( -1.027 1.474 2.715) 3.256 4.601 ( -3.540 -4.544 -0.088) 5.761 4.601 ( -3.540 4.544 -0.088) 5.761 4.806 ( 0.417 -3.820 -0.604) 3.890 4.806 ( 0.417 3.820 -0.604) 3.890 4.913 ( 2.108 -4.812 3.174) 6.138 4.913 ( 2.108 4.812 3.174) 6.138 5.231 ( 1.600 -1.210 5.529) 5.882 5.231 ( 1.600 1.210 5.529) 5.882 5.368 ( -0.429 -1.102 -4.677) 4.824 5.368 ( -0.429 1.102 -4.677) 4.824 5.420 ( 0.461 -8.475 -0.304) 8.493 5.420 ( 0.461 8.475 -0.304) 8.493 5.712 ( -2.602 -2.153 4.116) 5.325 5.712 ( -2.602 2.153 4.116) 5.325 5.779 ( -0.828 -3.669 0.257) 3.770 5.779 ( -0.828 3.669 0.257) 3.770 5.976 ( -1.100 -4.229 -2.649) 5.110 5.976 ( -1.100 4.229 -2.649) 5.110 6.139 ( -0.920 -2.927 0.803) 3.172 6.139 ( -0.920 2.927 0.803) 3.172 6.396 ( -2.027 -4.582 -9.677) 10.897 6.396 ( -2.027 4.582 -9.677) 10.897 6.547 ( -4.103 -1.809 1.869) 4.858 6.547 ( -4.103 1.809 1.869) 4.858 6.634 ( 0.634 -1.936 2.898) 3.542 6.634 ( 0.634 1.936 2.898) 3.542 6.910 ( -5.222 -0.607 -1.354) 5.429 6.910 ( -5.222 0.607 -1.354) 5.429 7.071 ( -4.032 -2.210 -3.856) 6.000 7.071 ( -4.032 2.210 -3.856) 6.000 7.133 ( 1.645 -2.365 2.061) 3.542 7.133 ( 1.645 2.365 2.061) 3.542 7.371 ( 2.433 -5.630 3.144) 6.892 7.371 ( 2.433 5.630 3.144) 6.892 7.482 ( 0.887 -1.174 0.841) 1.695 7.482 ( 0.887 1.174 0.841) 1.695 7.613 ( 2.654 -1.115 0.196) 2.886 7.613 ( 2.654 1.115 0.196) 2.886 7.715 ( 7.583 -3.350 2.992) 8.814 7.715 ( 7.583 3.350 2.992) 8.814 7.929 ( -2.719 -2.874 1.725) 4.316 7.929 ( -2.719 2.874 1.725) 4.316 8.101 ( -3.585 -1.719 -0.913) 4.079 8.101 ( -3.585 1.719 -0.913) 4.079 8.500 ( 2.345 -1.122 0.351) 2.623 8.500 ( 2.345 1.122 0.351) 2.623 8.638 ( 2.224 -4.312 -1.402) 5.050 8.638 ( 2.224 4.312 -1.402) 5.050 8.798 ( 4.015 -0.661 -0.914) 4.171 8.798 ( 4.015 0.661 -0.914) 4.171 9.404 ( 5.710 -1.995 -5.205) 7.980 9.404 ( 5.710 1.995 -5.205) 7.980 9.776 ( 5.276 -5.851 3.097) 8.465 9.776 ( 5.276 5.851 3.097) 8.465 10.195 ( -2.864 -4.347 2.982) 6.000 10.195 ( -2.864 4.347 2.982) 6.000 10.472 ( -0.295 -4.648 -2.661) 5.364 10.472 ( -0.295 4.648 -2.661) 5.364 12.978 ( -1.323 -0.976 0.167) 1.652 12.978 ( -1.323 0.976 0.167) 1.652 13.116 ( -2.355 -0.736 -1.138) 2.717 13.116 ( -2.355 0.736 -1.138) 2.717 13.301 ( -1.326 -1.355 0.982) 2.135 13.301 ( -1.326 1.355 0.982) 2.135 13.377 ( -1.268 -2.583 0.800) 2.987 13.377 ( -1.268 2.583 0.800) 2.987 14.075 ( 1.901 -2.201 -1.352) 3.207 14.075 ( 1.901 2.201 -1.352) 3.207 14.216 ( 3.872 -2.145 0.535) 4.458 14.216 ( 3.872 2.145 0.535) 4.458 14.467 ( -1.676 -3.018 0.723) 3.527 14.467 ( -1.676 3.018 0.723) 3.527 14.755 ( 1.351 -2.585 -0.288) 2.931 14.755 ( 1.351 2.585 -0.288) 2.931 14.922 ( -2.361 -2.898 -2.262) 4.369 14.922 ( -2.361 2.898 -2.262) 4.369 14.977 ( 1.439 -1.513 0.186) 2.096 14.977 ( 1.439 1.513 0.186) 2.096 15.310 ( -1.174 -2.792 1.328) 3.307 15.310 ( -1.174 2.792 1.328) 3.307 15.552 ( -4.101 -3.616 0.186) 5.470 15.552 ( -4.101 3.616 0.186) 5.470 15.767 ( 5.685 -6.635 3.263) 9.327 15.767 ( 5.685 6.635 3.263) 9.327 16.155 ( 4.722 -7.532 -2.796) 9.319 16.155 ( 4.722 7.532 -2.796) 9.319 16.664 ( -6.897 -7.405 2.053) 10.326 16.664 ( -6.897 7.405 2.053) 10.326 17.027 ( -1.986 -2.797 0.507) 3.468 17.027 ( -1.986 2.797 0.507) 3.468 18.199 ( -0.473 -0.308 -0.111) 0.575 18.199 ( -0.473 0.308 -0.111) 0.575 18.461 ( 0.568 -1.279 -0.178) 1.411 18.461 ( 0.568 1.279 -0.178) 1.411 18.709 ( -0.096 -1.979 -1.380) 2.415 18.709 ( -0.096 1.979 -1.380) 2.415 18.937 ( 4.080 -4.146 -0.419) 5.832 18.937 ( 4.080 4.146 -0.419) 5.832 19.022 ( 0.811 -0.735 0.406) 1.168 19.022 ( 0.811 0.735 0.406) 1.168 19.376 ( -2.979 -2.758 0.195) 4.064 19.376 ( -2.979 2.758 0.195) 4.064 19.680 ( -1.412 -2.455 -0.952) 2.988 19.680 ( -1.412 2.455 -0.952) 2.988 19.993 ( 1.532 -2.679 1.775) 3.560 19.993 ( 1.532 2.679 1.775) 3.560 20.474 ( 1.727 -2.256 -0.727) 2.933 20.474 ( 1.727 2.256 -0.727) 2.933 20.942 ( -5.033 -2.489 0.175) 5.618 20.942 ( -5.033 2.489 0.175) 5.618 21.410 ( -2.057 -0.954 1.098) 2.519 21.410 ( -2.057 0.954 1.098) 2.519 21.569 ( -7.656 -2.401 -2.166) 8.311 21.569 ( -7.656 2.401 -2.166) 8.311 21.833 ( 0.174 -0.741 0.147) 0.775 21.833 ( 0.174 0.741 0.147) 0.775 21.951 ( 1.578 -1.284 -0.194) 2.043 21.951 ( 1.578 1.284 -0.194) 2.043 22.120 ( 3.060 -0.413 0.357) 3.109 22.120 ( 3.060 0.413 0.357) 3.109 22.242 ( 6.276 -2.202 0.143) 6.653 22.242 ( 6.276 2.202 0.143) 6.653 ======================= Grid point 25 (15/64) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( 11.507 -11.398 -5.284) 17.037 1.218 ( 11.507 11.398 -5.284) 17.037 1.535 ( 11.261 -6.871 5.876) 14.441 1.535 ( 11.261 6.871 5.876) 14.441 1.663 ( -1.465 -8.703 -4.981) 10.134 1.663 ( -1.465 8.703 -4.981) 10.134 1.843 ( -0.929 -12.277 0.592) 12.327 1.843 ( -0.929 12.277 0.592) 12.327 2.088 ( -3.067 -6.558 -1.204) 7.339 2.088 ( -3.067 6.558 -1.204) 7.339 2.235 ( -5.070 -3.965 0.094) 6.437 2.235 ( -5.070 3.965 0.094) 6.437 2.444 ( -6.118 -3.939 1.617) 7.453 2.444 ( -6.118 3.939 1.617) 7.453 2.555 ( -0.922 -4.273 4.628) 6.366 2.555 ( -0.922 4.273 4.628) 6.366 2.696 ( -8.093 -1.650 0.716) 8.291 2.696 ( -8.093 1.650 0.716) 8.291 2.770 ( -2.498 -2.256 -3.849) 5.114 2.770 ( -2.498 2.256 -3.849) 5.114 3.027 ( 0.732 -1.099 -1.217) 1.796 3.027 ( 0.732 1.099 -1.217) 1.796 3.164 ( 0.734 -4.990 -0.084) 5.044 3.164 ( 0.734 4.990 -0.084) 5.044 3.268 ( 1.378 -0.592 2.639) 3.036 3.268 ( 1.378 0.592 2.639) 3.036 3.352 ( 5.647 -4.611 2.825) 7.819 3.352 ( 5.647 4.611 2.825) 7.819 3.533 ( -0.683 -5.677 0.863) 5.783 3.533 ( -0.683 5.677 0.863) 5.783 3.667 ( 2.557 -4.533 0.352) 5.216 3.667 ( 2.557 4.533 0.352) 5.216 3.762 ( -3.275 -3.812 0.009) 5.026 3.762 ( -3.275 3.812 0.009) 5.026 3.920 ( -0.376 -2.497 2.788) 3.761 3.920 ( -0.376 2.497 2.788) 3.761 3.965 ( 0.517 -1.370 -3.768) 4.043 3.965 ( 0.517 1.370 -3.768) 4.043 4.096 ( 1.069 -6.142 -1.238) 6.356 4.096 ( 1.069 6.142 -1.238) 6.356 4.258 ( 3.301 -0.670 -8.343) 8.998 4.258 ( 3.301 0.670 -8.343) 8.998 4.337 ( 2.474 -3.383 -0.685) 4.246 4.337 ( 2.474 3.383 -0.685) 4.246 4.453 ( -4.384 -2.860 0.648) 5.275 4.453 ( -4.384 2.860 0.648) 5.275 4.559 ( 0.164 -2.720 1.349) 3.041 4.559 ( 0.164 2.720 1.349) 3.041 4.818 ( -0.695 -3.539 0.528) 3.645 4.818 ( -0.695 3.539 0.528) 3.645 4.913 ( -2.226 -4.342 3.049) 5.754 4.913 ( -2.226 4.342 3.049) 5.754 5.240 ( 1.303 -5.918 3.784) 7.144 5.240 ( 1.303 5.918 3.784) 7.144 5.407 ( 2.518 -1.296 -0.821) 2.949 5.407 ( 2.518 1.296 -0.821) 2.949 5.466 ( 3.726 -8.095 -3.018) 9.409 5.466 ( 3.726 8.095 -3.018) 9.409 5.669 ( -2.009 -1.886 4.833) 5.564 5.669 ( -2.009 1.886 4.833) 5.564 5.785 ( 1.958 -3.319 2.645) 4.673 5.785 ( 1.958 3.319 2.645) 4.673 5.935 ( -2.023 -2.685 -6.742) 7.534 5.935 ( -2.023 2.685 -6.742) 7.534 6.091 ( -4.778 -3.331 2.538) 6.353 6.091 ( -4.778 3.331 2.538) 6.353 6.316 ( -3.681 -2.019 -7.325) 8.443 6.316 ( -3.681 2.019 -7.325) 8.443 6.460 ( -3.782 -5.219 0.669) 6.480 6.460 ( -3.782 5.219 0.669) 6.480 6.680 ( 1.719 -1.988 -1.925) 3.258 6.680 ( 1.719 1.988 -1.925) 3.258 6.827 ( -1.348 -3.821 4.334) 5.933 6.827 ( -1.348 3.821 4.334) 5.933 7.007 ( -1.672 -3.609 -1.501) 4.251 7.007 ( -1.672 3.609 -1.501) 4.251 7.174 ( 1.689 -1.743 -1.859) 3.058 7.174 ( 1.689 1.743 -1.859) 3.058 7.400 ( -1.255 -3.151 2.406) 4.158 7.400 ( -1.255 3.151 2.406) 4.158 7.472 ( 0.013 -1.529 2.391) 2.839 7.472 ( 0.013 1.529 2.391) 2.839 7.662 ( 1.901 -2.866 -1.162) 3.630 7.662 ( 1.901 2.866 -1.162) 3.630 7.855 ( 0.196 -5.246 2.998) 6.045 7.855 ( 0.196 5.246 2.998) 6.045 7.921 ( 6.208 -3.255 1.058) 7.089 7.921 ( 6.208 3.255 1.058) 7.089 8.060 ( -0.132 -0.982 -0.672) 1.197 8.060 ( -0.132 0.982 -0.672) 1.197 8.431 ( -6.458 -3.130 -0.367) 7.186 8.431 ( -6.458 3.130 -0.367) 7.186 8.731 ( 3.970 -3.782 -0.192) 5.487 8.731 ( 3.970 3.782 -0.192) 5.487 8.875 ( 3.395 -4.741 -0.971) 5.911 8.875 ( 3.395 4.741 -0.971) 5.911 9.541 ( 7.751 -3.738 -4.946) 9.926 9.541 ( 7.751 3.738 -4.946) 9.926 9.896 ( 5.302 -6.287 1.946) 8.451 9.896 ( 5.302 6.287 1.946) 8.451 10.121 ( -4.668 -3.769 3.867) 7.138 10.121 ( -4.668 3.769 3.867) 7.138 10.462 ( -0.323 -4.540 -2.644) 5.264 10.462 ( -0.323 4.540 -2.644) 5.264 12.948 ( -1.319 -2.423 0.635) 2.831 12.948 ( -1.319 2.423 0.635) 2.831 13.092 ( 0.240 -1.527 -1.512) 2.162 13.092 ( 0.240 1.527 -1.512) 2.162 13.259 ( -2.674 -1.803 0.986) 3.372 13.259 ( -2.674 1.803 0.986) 3.372 13.342 ( -1.924 -1.718 0.436) 2.616 13.342 ( -1.924 1.718 0.436) 2.616 14.122 ( 2.596 -2.224 -1.080) 3.585 14.122 ( 2.596 2.224 -1.080) 3.585 14.278 ( 1.265 -0.887 0.362) 1.587 14.278 ( 1.265 0.887 0.362) 1.587 14.469 ( 2.466 -3.813 1.579) 4.808 14.469 ( 2.466 3.813 1.579) 4.808 14.733 ( -3.732 -1.456 -1.857) 4.416 14.733 ( -3.732 1.456 -1.857) 4.416 14.885 ( -0.441 -2.412 -1.323) 2.786 14.885 ( -0.441 2.412 -1.323) 2.786 15.012 ( 1.624 -0.879 -0.163) 1.853 15.012 ( 1.624 0.879 -0.163) 1.853 15.294 ( -0.521 -3.109 1.838) 3.649 15.294 ( -0.521 3.109 1.838) 3.649 15.482 ( -2.736 -3.314 0.730) 4.359 15.482 ( -2.736 3.314 0.730) 4.359 15.888 ( 5.646 -7.903 1.406) 9.814 15.888 ( 5.646 7.903 1.406) 9.814 16.252 ( 4.198 -3.926 -2.121) 6.127 16.252 ( 4.198 3.926 -2.121) 6.127 16.527 ( -5.822 -6.727 2.377) 9.208 16.527 ( -5.822 6.727 2.377) 9.208 16.963 ( -3.896 -4.795 0.192) 6.182 16.963 ( -3.896 4.795 0.192) 6.182 18.191 ( -0.308 -0.319 -0.158) 0.471 18.191 ( -0.308 0.319 -0.158) 0.471 18.471 ( 0.407 -1.048 -0.042) 1.125 18.471 ( 0.407 1.048 -0.042) 1.125 18.705 ( -0.091 -2.182 -1.240) 2.511 18.705 ( -0.091 2.182 -1.240) 2.511 19.020 ( 2.469 -1.386 0.237) 2.841 19.020 ( 2.469 1.386 0.237) 2.841 19.053 ( 3.408 -3.995 -0.371) 5.264 19.053 ( 3.408 3.995 -0.371) 5.264 19.301 ( -4.163 -5.750 0.308) 7.106 19.301 ( -4.163 5.750 0.308) 7.106 19.651 ( -1.157 -2.043 -0.723) 2.456 19.651 ( -1.157 2.043 -0.723) 2.456 20.016 ( 0.372 -3.095 1.382) 3.410 20.016 ( 0.372 3.095 1.382) 3.410 20.535 ( 4.313 -2.384 -0.507) 4.954 20.535 ( 4.313 2.384 -0.507) 4.954 20.823 ( -6.159 -2.553 -0.107) 6.668 20.823 ( -6.159 2.553 -0.107) 6.668 21.342 ( -3.995 -0.690 0.250) 4.062 21.342 ( -3.995 0.690 0.250) 4.062 21.468 ( -2.389 -0.785 -0.499) 2.564 21.468 ( -2.389 0.785 -0.499) 2.564 21.844 ( 0.760 -0.273 0.552) 0.979 21.844 ( 0.760 0.273 0.552) 0.979 21.968 ( 0.524 -0.722 -0.532) 1.039 21.968 ( 0.524 0.722 -0.532) 1.039 22.183 ( 2.640 -0.257 -0.500) 2.699 22.183 ( 2.640 0.257 -0.500) 2.699 22.347 ( 3.590 -2.078 0.424) 4.170 22.347 ( 3.590 2.078 0.424) 4.170 ======================= Grid point 27 (16/64) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( 0.000 -3.367 -0.000) 3.367 1.355 ( 0.000 3.367 -0.000) 3.367 1.613 ( 0.000 -2.736 0.000) 2.736 1.613 ( -0.000 2.736 0.000) 2.736 1.696 ( 0.000 -5.618 -0.000) 5.618 1.696 ( 0.000 5.618 -0.000) 5.618 1.867 ( 0.000 -0.021 0.000) 0.021 1.867 ( -0.000 0.021 -0.000) 0.021 2.047 ( 0.000 -8.545 0.000) 8.545 2.047 ( 0.000 8.545 -0.000) 8.545 2.126 ( 0.000 -5.177 -0.000) 5.177 2.126 ( -0.000 5.177 -0.000) 5.177 2.388 ( 0.000 -3.199 0.000) 3.199 2.388 ( 0.000 3.199 -0.000) 3.199 2.540 ( 0.000 -6.411 0.000) 6.411 2.540 ( 0.000 6.411 0.000) 6.411 2.618 ( 0.000 -1.665 0.000) 1.665 2.618 ( 0.000 1.665 -0.000) 1.665 2.732 ( 0.000 -1.330 -0.000) 1.330 2.732 ( 0.000 1.330 -0.000) 1.330 3.018 ( 0.000 -1.328 -0.000) 1.328 3.018 ( 0.000 1.328 -0.000) 1.328 3.199 ( 0.000 -2.929 0.000) 2.929 3.199 ( 0.000 2.929 -0.000) 2.929 3.275 ( 0.000 -5.927 -0.000) 5.927 3.275 ( 0.000 5.927 0.000) 5.927 3.442 ( 0.000 -8.509 -0.000) 8.509 3.442 ( 0.000 8.509 -0.000) 8.509 3.522 ( 0.000 -0.100 0.000) 0.100 3.522 ( 0.000 0.100 0.000) 0.100 3.666 ( 0.000 -5.482 -0.000) 5.482 3.666 ( 0.000 5.482 -0.000) 5.482 3.812 ( 0.000 -2.017 -0.000) 2.017 3.812 ( 0.000 2.017 -0.000) 2.017 3.827 ( -0.000 -6.159 0.000) 6.159 3.827 ( -0.000 6.159 0.000) 6.159 3.965 ( 0.000 -3.630 -0.000) 3.630 3.965 ( 0.000 3.630 -0.000) 3.630 4.132 ( 0.000 -4.735 0.000) 4.735 4.132 ( 0.000 4.735 -0.000) 4.735 4.264 ( 0.000 -3.946 -0.000) 3.946 4.264 ( 0.000 3.946 -0.000) 3.946 4.360 ( 0.000 -4.790 0.000) 4.790 4.360 ( 0.000 4.790 0.000) 4.790 4.419 ( 0.000 -4.229 -0.000) 4.229 4.419 ( -0.000 4.229 -0.000) 4.229 4.584 ( 0.000 -0.510 0.000) 0.510 4.584 ( 0.000 0.510 0.000) 0.510 4.781 ( 0.000 -1.005 0.000) 1.005 4.781 ( 0.000 1.005 0.000) 1.005 4.891 ( 0.000 -2.592 -0.000) 2.592 4.891 ( 0.000 2.592 -0.000) 2.592 5.272 ( 0.000 -5.416 -0.000) 5.416 5.272 ( 0.000 5.416 -0.000) 5.416 5.455 ( -0.000 -3.809 -0.000) 3.809 5.455 ( -0.000 3.809 -0.000) 3.809 5.483 ( 0.000 -4.209 0.000) 4.209 5.483 ( 0.000 4.209 0.000) 4.209 5.656 ( 0.000 -0.144 0.000) 0.144 5.656 ( 0.000 0.144 0.000) 0.144 5.866 ( 0.000 -3.793 0.000) 3.793 5.866 ( 0.000 3.793 0.000) 3.793 5.869 ( -0.000 -2.984 -0.000) 2.984 5.869 ( -0.000 2.984 -0.000) 2.984 6.014 ( 0.000 -0.246 -0.000) 0.246 6.014 ( 0.000 0.246 0.000) 0.246 6.270 ( 0.000 -1.049 0.000) 1.049 6.270 ( 0.000 1.049 -0.000) 1.049 6.418 ( 0.000 -6.261 -0.000) 6.261 6.418 ( 0.000 6.261 0.000) 6.261 6.678 ( 0.000 -1.202 0.000) 1.202 6.678 ( 0.000 1.202 0.000) 1.202 6.852 ( 0.000 -3.196 -0.000) 3.196 6.852 ( 0.000 3.196 -0.000) 3.196 6.985 ( 0.000 -3.569 -0.000) 3.569 6.985 ( 0.000 3.569 0.000) 3.569 7.190 ( 0.000 -1.194 -0.000) 1.194 7.190 ( 0.000 1.194 0.000) 1.194 7.372 ( 0.000 -0.698 -0.000) 0.698 7.372 ( 0.000 0.698 -0.000) 0.698 7.481 ( 0.000 -0.494 0.000) 0.494 7.481 ( 0.000 0.494 -0.000) 0.494 7.682 ( 0.000 -5.151 -0.000) 5.151 7.682 ( 0.000 5.151 -0.000) 5.151 7.843 ( 0.000 -5.232 0.000) 5.232 7.843 ( 0.000 5.232 0.000) 5.232 7.996 ( 0.000 -2.798 0.000) 2.798 7.996 ( 0.000 2.798 -0.000) 2.798 8.095 ( 0.000 -0.708 -0.000) 0.708 8.095 ( 0.000 0.708 -0.000) 0.708 8.334 ( 0.000 -2.270 -0.000) 2.270 8.334 ( -0.000 2.270 -0.000) 2.270 8.767 ( 0.000 -4.582 -0.000) 4.582 8.767 ( 0.000 4.582 0.000) 4.582 8.912 ( 0.000 -6.361 0.000) 6.361 8.912 ( 0.000 6.361 -0.000) 6.361 9.633 ( 0.000 -3.113 -0.000) 3.113 9.633 ( 0.000 3.113 -0.000) 3.113 9.959 ( 0.000 -7.863 0.000) 7.863 9.959 ( 0.000 7.863 -0.000) 7.863 10.059 ( 0.000 -1.647 -0.000) 1.647 10.059 ( 0.000 1.647 0.000) 1.647 10.456 ( 0.000 -3.658 -0.000) 3.658 10.456 ( 0.000 3.658 -0.000) 3.658 12.935 ( 0.000 -3.336 -0.000) 3.336 12.935 ( 0.000 3.336 -0.000) 3.336 13.102 ( 0.000 -0.305 -0.000) 0.305 13.102 ( 0.000 0.305 -0.000) 0.305 13.224 ( 0.000 -1.376 -0.000) 1.376 13.224 ( 0.000 1.376 -0.000) 1.376 13.320 ( 0.000 -1.148 0.000) 1.148 13.320 ( 0.000 1.148 -0.000) 1.148 14.153 ( 0.000 -0.460 0.000) 0.460 14.153 ( 0.000 0.460 0.000) 0.460 14.281 ( 0.000 -1.471 -0.000) 1.471 14.281 ( 0.000 1.471 0.000) 1.471 14.525 ( 0.000 -3.384 -0.000) 3.384 14.525 ( 0.000 3.384 0.000) 3.384 14.664 ( 0.000 -0.274 0.000) 0.274 14.664 ( 0.000 0.274 0.000) 0.274 14.884 ( 0.000 -2.250 0.000) 2.250 14.884 ( 0.000 2.250 0.000) 2.250 15.029 ( 0.000 -0.434 -0.000) 0.434 15.029 ( 0.000 0.434 0.000) 0.434 15.292 ( 0.000 -2.878 0.000) 2.878 15.292 ( 0.000 2.878 0.000) 2.878 15.453 ( 0.000 -0.859 -0.000) 0.859 15.453 ( 0.000 0.859 -0.000) 0.859 15.958 ( 0.000 -6.831 -0.000) 6.831 15.958 ( 0.000 6.831 -0.000) 6.831 16.285 ( 0.000 -1.368 0.000) 1.368 16.285 ( 0.000 1.368 -0.000) 1.368 16.476 ( 0.000 -2.667 -0.000) 2.667 16.476 ( 0.000 2.667 -0.000) 2.667 16.914 ( 0.000 -5.489 0.000) 5.489 16.914 ( 0.000 5.489 0.000) 5.489 18.188 ( 0.000 -0.286 -0.000) 0.286 18.188 ( 0.000 0.286 -0.000) 0.286 18.476 ( 0.000 -0.902 -0.000) 0.902 18.476 ( 0.000 0.902 -0.000) 0.902 18.703 ( 0.000 -2.225 0.000) 2.225 18.703 ( 0.000 2.225 0.000) 2.225 19.037 ( 0.000 -0.029 -0.000) 0.029 19.037 ( 0.000 0.029 -0.000) 0.029 19.113 ( 0.000 -0.262 0.000) 0.262 19.113 ( 0.000 0.262 -0.000) 0.262 19.243 ( 0.000 -7.555 -0.000) 7.555 19.243 ( 0.000 7.555 -0.000) 7.555 19.638 ( 0.000 -1.414 -0.000) 1.414 19.638 ( 0.000 1.414 -0.000) 1.414 20.019 ( 0.000 -3.769 -0.000) 3.769 20.019 ( 0.000 3.769 0.000) 3.769 20.603 ( -0.000 -3.746 -0.000) 3.746 20.603 ( 0.000 3.746 0.000) 3.746 20.738 ( 0.000 -5.191 -0.000) 5.191 20.738 ( 0.000 5.191 -0.000) 5.191 21.297 ( 0.000 -0.513 0.000) 0.513 21.297 ( 0.000 0.513 -0.000) 0.513 21.447 ( 0.000 -0.525 -0.000) 0.525 21.447 ( 0.000 0.525 0.000) 0.525 21.854 ( 0.000 -0.000 0.000) 0.000 21.854 ( 0.000 0.000 -0.000) 0.000 21.973 ( 0.000 -0.704 -0.000) 0.704 21.973 ( 0.000 0.704 0.000) 0.704 22.211 ( 0.000 -0.263 0.000) 0.263 22.211 ( 0.000 0.263 0.000) 0.263 22.382 ( 0.000 -1.600 -0.000) 1.600 22.382 ( 0.000 1.600 0.000) 1.600 ======================= Grid point 49 (17/64) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.482 ( 1.131 0.000 25.054) 25.080 0.486 ( 4.882 0.000 24.464) 24.946 1.043 ( 6.191 0.000 52.487) 52.851 1.473 ( 1.312 0.000 0.075) 1.314 1.670 ( -9.193 0.000 11.828) 14.980 1.727 ( -2.218 0.000 -14.663) 14.830 1.756 ( -1.363 0.000 2.286) 2.662 1.927 ( 2.540 0.000 -2.147) 3.326 2.036 ( 1.958 0.000 7.308) 7.565 2.181 ( -5.658 0.000 5.588) 7.952 2.308 ( 2.485 0.000 1.958) 3.164 2.336 ( 1.964 0.000 -5.473) 5.815 2.369 ( -2.975 0.000 2.284) 3.751 2.462 ( -7.156 0.000 2.618) 7.620 2.543 ( -0.435 0.000 -1.565) 1.624 2.617 ( -1.340 0.000 1.744) 2.200 2.838 ( 2.556 0.000 -3.516) 4.347 2.873 ( -0.078 0.000 -0.607) 0.612 3.004 ( 2.655 0.000 2.816) 3.870 3.026 ( -1.473 0.000 -0.923) 1.738 3.082 ( -0.538 0.000 -1.396) 1.496 3.129 ( 0.537 0.000 -19.304) 19.311 3.191 ( -2.693 0.000 -0.654) 2.772 3.235 ( 1.818 0.000 5.028) 5.347 3.269 ( 1.112 0.000 -2.368) 2.616 3.303 ( 6.136 0.000 -5.287) 8.099 3.359 ( 1.385 0.000 3.758) 4.005 3.412 ( -8.733 0.000 -1.320) 8.832 3.492 ( -2.481 0.000 -1.627) 2.967 3.535 ( -1.558 0.000 -11.211) 11.319 3.583 ( -4.267 0.000 1.775) 4.622 3.612 ( 0.286 0.000 5.549) 5.556 3.680 ( -3.734 0.000 -1.379) 3.981 3.708 ( -2.987 0.000 3.152) 4.342 3.787 ( 4.344 0.000 -5.726) 7.187 3.874 ( 0.603 0.000 -3.478) 3.530 3.915 ( 8.685 0.000 4.803) 9.925 3.997 ( -4.117 0.000 -2.286) 4.709 4.018 ( -1.154 0.000 3.932) 4.098 4.118 ( 0.886 0.000 1.546) 1.782 4.196 ( 4.162 0.000 1.272) 4.352 4.236 ( -1.305 0.000 4.395) 4.585 4.273 ( -0.890 0.000 7.412) 7.465 4.406 ( -0.371 0.000 -2.136) 2.168 4.428 ( 1.850 0.000 -13.929) 14.051 4.596 ( 1.504 0.000 0.240) 1.523 4.670 ( -5.468 0.000 -2.702) 6.099 4.882 ( -1.910 0.000 -3.953) 4.390 4.920 ( -1.366 0.000 -1.589) 2.096 5.068 ( -1.632 0.000 -12.564) 12.669 5.081 ( 7.007 0.000 -2.004) 7.288 5.158 ( -0.853 0.000 4.247) 4.332 5.192 ( 4.027 0.000 -4.145) 5.779 5.241 ( 3.268 0.000 0.470) 3.301 5.382 ( -5.306 0.000 -4.517) 6.968 5.422 ( -5.036 0.000 2.675) 5.702 5.522 ( 6.722 0.000 2.250) 7.088 5.532 ( -0.606 0.000 0.788) 0.994 5.638 ( -3.217 0.000 -10.438) 10.923 5.750 ( 1.379 0.000 -1.303) 1.897 5.925 ( 1.250 0.000 2.277) 2.598 5.976 ( 1.449 0.000 -0.380) 1.498 6.031 ( 2.138 0.000 -1.779) 2.782 6.119 ( -1.356 0.000 6.564) 6.703 6.166 ( -2.377 0.000 13.722) 13.927 6.207 ( -0.951 0.000 -0.692) 1.176 6.277 ( 2.396 0.000 4.449) 5.054 6.447 ( 0.304 0.000 1.001) 1.046 6.480 ( -0.755 0.000 5.618) 5.668 6.507 ( -3.023 0.000 1.703) 3.470 6.566 ( 1.161 0.000 0.776) 1.396 6.642 ( 3.651 0.000 1.774) 4.060 6.818 ( -3.447 0.000 0.518) 3.486 6.887 ( -3.987 0.000 -3.015) 4.999 7.007 ( 5.344 0.000 -1.264) 5.491 7.167 ( 4.488 0.000 2.658) 5.216 7.174 ( 1.337 0.000 2.074) 2.468 7.251 ( 2.314 0.000 3.711) 4.373 7.305 ( 0.518 0.000 1.382) 1.476 7.336 ( -0.915 0.000 1.866) 2.079 7.343 ( 0.587 0.000 2.609) 2.675 7.381 ( -5.570 0.000 -5.890) 8.106 7.491 ( -2.137 0.000 -0.521) 2.200 7.542 ( 4.252 0.000 1.965) 4.684 7.709 ( 16.302 0.000 -3.189) 16.611 7.738 ( 1.002 0.000 -4.864) 4.967 7.920 ( -2.524 0.000 0.805) 2.649 7.997 ( 0.397 0.000 0.790) 0.884 8.020 ( -5.122 0.000 1.497) 5.337 8.080 ( -0.276 0.000 -1.064) 1.099 8.272 ( 6.295 0.000 -5.822) 8.574 8.353 ( -1.032 0.000 -3.002) 3.175 8.631 ( -7.909 0.000 1.474) 8.045 8.663 ( -2.329 0.000 2.559) 3.461 8.744 ( 0.869 0.000 4.518) 4.600 8.954 ( 1.929 0.000 -7.569) 7.811 9.147 ( 3.411 0.000 -0.595) 3.463 9.366 ( -8.401 0.000 -7.131) 11.019 9.690 ( -21.592 0.000 7.210) 22.764 9.936 ( 3.504 0.000 -1.531) 3.824 9.939 ( -26.540 0.000 5.321) 27.068 10.307 ( 1.189 0.000 -3.842) 4.022 10.338 ( 1.876 0.000 3.377) 3.863 10.539 ( -2.197 0.000 -1.734) 2.799 12.944 ( -1.143 0.000 -0.289) 1.179 12.956 ( 2.306 0.000 -0.771) 2.432 13.102 ( -2.502 0.000 1.625) 2.983 13.157 ( -1.994 0.000 1.065) 2.260 13.223 ( 2.622 0.000 -0.581) 2.686 13.293 ( -1.698 0.000 -1.390) 2.195 13.393 ( 4.315 0.000 0.933) 4.415 13.416 ( 1.787 0.000 0.742) 1.934 13.915 ( -3.037 0.000 0.140) 3.041 14.015 ( -0.681 0.000 -3.665) 3.728 14.249 ( -1.897 0.000 3.850) 4.292 14.333 ( -0.110 0.000 3.301) 3.303 14.410 ( 0.473 0.000 -1.355) 1.436 14.571 ( 2.298 0.000 -2.567) 3.445 14.613 ( 1.308 0.000 -3.940) 4.151 14.768 ( 2.054 0.000 -6.118) 6.454 14.770 ( -0.249 0.000 5.761) 5.766 14.920 ( -4.119 0.000 -0.523) 4.153 15.026 ( -3.212 0.000 -0.618) 3.271 15.191 ( 7.255 0.000 1.423) 7.394 15.276 ( 9.434 0.000 -5.322) 10.831 15.294 ( -0.769 0.000 -0.669) 1.019 15.310 ( 3.636 0.000 2.725) 4.544 15.593 ( -6.853 0.000 -3.822) 7.846 15.795 ( 8.271 0.000 1.967) 8.502 15.821 ( -6.597 0.000 3.869) 7.648 15.896 ( 3.968 0.000 8.011) 8.940 16.377 ( 46.670 0.000 -0.944) 46.679 16.526 ( 12.798 0.000 -1.518) 12.888 16.844 ( -5.934 0.000 -5.511) 8.099 17.005 ( -2.752 0.000 3.826) 4.713 17.124 ( 0.589 0.000 1.034) 1.190 18.240 ( 1.265 0.000 0.285) 1.297 18.284 ( -1.088 0.000 -0.626) 1.255 18.501 ( -1.263 0.000 2.161) 2.503 18.626 ( 10.045 0.000 -1.471) 10.152 18.662 ( 0.104 0.000 0.737) 0.745 18.710 ( -0.861 0.000 0.948) 1.280 18.870 ( 7.499 0.000 -0.225) 7.502 18.952 ( -0.516 0.000 -1.630) 1.710 19.030 ( 1.732 0.000 1.998) 2.644 19.166 ( -0.191 0.000 -1.128) 1.144 19.371 ( 2.099 0.000 -0.214) 2.109 19.388 ( -47.891 0.000 -0.428) 47.893 19.564 ( -4.437 0.000 0.464) 4.461 19.643 ( 8.519 0.000 -2.240) 8.808 19.753 ( -6.536 0.000 3.399) 7.367 19.933 ( 2.302 0.000 -1.987) 3.041 20.711 ( 1.039 0.000 1.259) 1.633 20.837 ( -10.622 0.000 -1.827) 10.778 20.968 ( -1.476 0.000 1.900) 2.406 21.137 ( 10.386 0.000 -2.430) 10.667 21.270 ( 0.509 0.000 2.045) 2.107 21.390 ( 1.032 0.000 -1.131) 1.531 21.592 ( 0.346 0.000 0.272) 0.440 21.636 ( -13.775 0.000 -0.620) 13.789 21.805 ( -1.451 0.000 1.763) 2.283 21.867 ( 1.640 0.000 0.649) 1.764 21.953 ( -0.007 0.000 -2.142) 2.142 21.955 ( -0.206 0.000 -1.309) 1.326 21.990 ( 1.931 0.000 0.009) 1.931 22.014 ( 12.034 0.000 -0.704) 12.055 22.140 ( -5.059 0.000 1.815) 5.375 22.197 ( -0.694 0.000 -0.011) 0.694 ======================= Grid point 50 (18/64) ======================= q-point: ( 0.17 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.806 ( 20.353 0.000 17.378) 26.762 0.823 ( 23.214 0.000 14.572) 27.408 1.455 ( 21.935 0.000 34.412) 40.809 1.464 ( -6.429 0.000 7.536) 9.906 1.597 ( 4.825 0.000 0.811) 4.893 1.712 ( 4.939 0.000 -9.089) 10.344 1.737 ( 0.494 0.000 -2.362) 2.413 2.004 ( 4.405 0.000 2.043) 4.856 2.019 ( -4.833 0.000 5.615) 7.408 2.169 ( 2.550 0.000 3.921) 4.677 2.283 ( -6.458 0.000 -4.822) 8.060 2.377 ( 2.899 0.000 -0.887) 3.032 2.386 ( 4.166 0.000 -1.582) 4.456 2.459 ( 4.264 0.000 4.901) 6.496 2.512 ( -1.703 0.000 -2.553) 3.069 2.597 ( 0.428 0.000 -2.937) 2.968 2.790 ( -7.289 0.000 2.610) 7.742 2.892 ( 2.199 0.000 -1.238) 2.523 2.968 ( -5.936 0.000 -1.097) 6.036 3.011 ( -0.936 0.000 -3.068) 3.207 3.080 ( -3.557 0.000 1.012) 3.698 3.101 ( -1.993 0.000 -4.388) 4.819 3.118 ( 0.458 0.000 -5.383) 5.402 3.208 ( -8.416 0.000 2.066) 8.666 3.238 ( -0.714 0.000 -7.045) 7.081 3.296 ( -2.001 0.000 0.771) 2.145 3.317 ( 1.776 0.000 1.958) 2.643 3.354 ( 0.279 0.000 -3.630) 3.640 3.441 ( -1.104 0.000 1.246) 1.665 3.563 ( 1.110 0.000 6.261) 6.359 3.584 ( -0.095 0.000 1.810) 1.812 3.618 ( 4.513 0.000 -0.201) 4.517 3.666 ( 0.464 0.000 -0.996) 1.098 3.757 ( 4.656 0.000 -6.200) 7.754 3.795 ( -3.128 0.000 -3.644) 4.802 3.872 ( -0.127 0.000 -0.236) 0.268 3.953 ( -1.319 0.000 0.637) 1.465 3.977 ( 1.563 0.000 0.026) 1.563 4.033 ( -2.436 0.000 -0.401) 2.469 4.139 ( -0.203 0.000 -2.568) 2.576 4.233 ( -1.619 0.000 4.470) 4.754 4.234 ( -0.934 0.000 5.169) 5.252 4.298 ( 6.961 0.000 4.731) 8.417 4.401 ( -1.840 0.000 -1.848) 2.608 4.467 ( 4.830 0.000 -12.223) 13.143 4.607 ( 0.861 0.000 -4.361) 4.445 4.653 ( 3.219 0.000 2.695) 4.198 4.782 ( -6.428 0.000 -3.295) 7.223 4.844 ( -15.336 0.000 -2.119) 15.481 4.863 ( -3.022 0.000 -3.488) 4.615 5.095 ( -14.686 0.000 -5.225) 15.588 5.164 ( 0.563 0.000 2.487) 2.550 5.197 ( -3.609 0.000 -4.194) 5.534 5.207 ( 5.010 0.000 0.448) 5.030 5.293 ( 2.853 0.000 2.132) 3.562 5.426 ( 2.093 0.000 -0.586) 2.174 5.498 ( -3.203 0.000 -1.302) 3.458 5.590 ( 1.469 0.000 4.984) 5.196 5.632 ( 2.802 0.000 -11.533) 11.868 5.773 ( 1.279 0.000 -0.913) 1.571 5.900 ( -1.211 0.000 1.239) 1.733 6.058 ( 1.786 0.000 -0.722) 1.926 6.086 ( -3.881 0.000 3.823) 5.448 6.092 ( -0.585 0.000 2.743) 2.805 6.132 ( 3.465 0.000 1.901) 3.952 6.151 ( -2.770 0.000 3.188) 4.223 6.298 ( 1.120 0.000 3.324) 3.508 6.453 ( 0.700 0.000 -3.142) 3.219 6.470 ( -1.447 0.000 3.086) 3.409 6.517 ( -0.767 0.000 7.068) 7.109 6.574 ( -1.149 0.000 1.399) 1.811 6.704 ( 4.493 0.000 0.498) 4.520 6.780 ( 0.576 0.000 3.537) 3.584 6.875 ( 1.217 0.000 -4.314) 4.483 7.119 ( 2.649 0.000 0.159) 2.654 7.141 ( -4.982 0.000 4.617) 6.793 7.234 ( -1.079 0.000 -2.439) 2.667 7.247 ( 2.928 0.000 2.797) 4.050 7.288 ( 0.267 0.000 4.315) 4.323 7.303 ( -1.560 0.000 -1.319) 2.043 7.355 ( -0.256 0.000 3.964) 3.972 7.365 ( 0.432 0.000 2.130) 2.173 7.460 ( 0.897 0.000 -2.381) 2.545 7.633 ( 0.529 0.000 -1.615) 1.700 7.742 ( -8.833 0.000 2.909) 9.300 7.754 ( 3.908 0.000 -3.916) 5.533 7.829 ( -1.997 0.000 2.270) 3.023 7.968 ( -0.295 0.000 1.107) 1.145 8.137 ( 4.660 0.000 -2.301) 5.197 8.177 ( 8.914 0.000 -10.522) 13.791 8.311 ( -3.997 0.000 -2.640) 4.790 8.452 ( 7.788 0.000 -4.542) 9.016 8.506 ( -3.508 0.000 -1.201) 3.708 8.552 ( -0.946 0.000 9.630) 9.677 8.745 ( -1.290 0.000 2.302) 2.639 8.988 ( 2.413 0.000 -3.575) 4.313 9.232 ( -0.222 0.000 -10.690) 10.693 9.264 ( 8.564 0.000 3.442) 9.230 9.560 ( 6.875 0.000 2.440) 7.295 9.966 ( 5.700 0.000 1.089) 5.803 9.985 ( -1.035 0.000 -0.748) 1.277 10.332 ( 3.381 0.000 0.843) 3.484 10.389 ( 2.774 0.000 5.566) 6.219 10.505 ( -1.074 0.000 -4.014) 4.155 12.922 ( -0.447 0.000 -1.628) 1.688 12.935 ( -3.972 0.000 1.306) 4.181 13.100 ( 1.993 0.000 -0.648) 2.095 13.141 ( 0.319 0.000 2.787) 2.805 13.246 ( -2.184 0.000 -1.372) 2.579 13.249 ( -0.067 0.000 1.925) 1.927 13.367 ( -4.788 0.000 -0.100) 4.789 13.432 ( -0.787 0.000 -0.407) 0.886 13.924 ( 4.128 0.000 1.282) 4.323 14.037 ( 3.448 0.000 -2.855) 4.476 14.207 ( -2.475 0.000 3.491) 4.279 14.309 ( -1.757 0.000 2.944) 3.428 14.395 ( -1.793 0.000 -1.538) 2.362 14.641 ( 1.839 0.000 -2.600) 3.185 14.650 ( 4.810 0.000 -1.407) 5.012 14.780 ( 0.061 0.000 -7.345) 7.346 14.787 ( 0.700 0.000 6.096) 6.136 14.852 ( -2.510 0.000 -0.315) 2.529 14.917 ( -6.683 0.000 -2.644) 7.187 15.215 ( -0.350 0.000 3.121) 3.140 15.246 ( -2.883 0.000 -1.918) 3.463 15.261 ( -2.610 0.000 -1.231) 2.886 15.399 ( -2.244 0.000 -0.138) 2.248 15.466 ( -5.251 0.000 -1.495) 5.460 15.793 ( 3.007 0.000 -0.556) 3.058 15.925 ( 6.813 0.000 3.302) 7.571 16.111 ( 11.948 0.000 7.637) 14.180 16.430 ( -0.935 0.000 -9.336) 9.383 16.684 ( -7.920 0.000 -9.452) 12.331 16.841 ( -13.896 0.000 16.890) 21.872 17.063 ( 2.801 0.000 -4.513) 5.312 17.096 ( -3.506 0.000 -0.097) 3.507 18.263 ( 0.427 0.000 1.585) 1.641 18.264 ( -0.589 0.000 -1.510) 1.621 18.430 ( -16.490 0.000 15.383) 22.551 18.471 ( -1.898 0.000 0.794) 2.058 18.690 ( 2.623 0.000 1.036) 2.820 18.703 ( 0.652 0.000 -1.170) 1.340 18.810 ( -2.403 0.000 5.236) 5.761 18.942 ( -0.317 0.000 -2.299) 2.320 19.031 ( 1.874 0.000 -0.333) 1.903 19.156 ( -0.732 0.000 -1.222) 1.424 19.282 ( 18.360 0.000 -17.472) 25.344 19.345 ( -3.831 0.000 1.816) 4.240 19.554 ( 0.454 0.000 -0.844) 0.959 19.664 ( -2.778 0.000 3.408) 4.397 19.842 ( 10.118 0.000 -0.658) 10.139 19.975 ( 1.953 0.000 0.354) 1.985 20.626 ( -7.331 0.000 3.729) 8.225 20.680 ( -3.349 0.000 2.628) 4.257 20.924 ( -3.461 0.000 -0.042) 3.461 21.172 ( -2.576 0.000 -2.074) 3.307 21.302 ( 1.304 0.000 0.171) 1.315 21.381 ( -1.649 0.000 -0.988) 1.922 21.481 ( -2.405 0.000 2.609) 3.548 21.548 ( -4.118 0.000 1.690) 4.452 21.820 ( 2.892 0.000 1.330) 3.183 21.862 ( -0.606 0.000 1.693) 1.798 21.949 ( -0.346 0.000 -1.294) 1.340 21.953 ( -0.359 0.000 -1.478) 1.521 22.043 ( 2.693 0.000 -0.856) 2.826 22.057 ( 3.660 0.000 -0.595) 3.708 22.238 ( 4.148 0.000 0.805) 4.225 22.362 ( 8.252 0.000 -6.753) 10.663 ======================= Grid point 51 (19/64) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( 19.534 0.000 9.832) 21.868 1.310 ( 22.452 0.000 8.504) 24.009 1.409 ( 0.527 0.000 5.954) 5.978 1.634 ( -1.351 0.000 -1.892) 2.325 1.651 ( -0.952 0.000 -10.017) 10.062 1.797 ( 1.396 0.000 8.150) 8.269 1.930 ( -1.274 0.000 0.765) 1.486 1.989 ( 10.013 0.000 16.579) 19.368 2.061 ( -1.068 0.000 2.331) 2.564 2.148 ( 1.533 0.000 -8.099) 8.242 2.233 ( 3.231 0.000 0.753) 3.318 2.405 ( -3.195 0.000 -1.483) 3.522 2.454 ( 4.803 0.000 -1.514) 5.036 2.565 ( 6.234 0.000 -4.330) 7.590 2.602 ( 7.445 0.000 3.016) 8.033 2.628 ( 3.620 0.000 -1.245) 3.828 2.647 ( -6.256 0.000 6.772) 9.219 2.812 ( -5.646 0.000 -2.948) 6.370 2.820 ( -9.089 0.000 -1.803) 9.266 2.961 ( -0.357 0.000 2.637) 2.661 3.002 ( -3.540 0.000 -1.616) 3.892 3.062 ( -3.782 0.000 -5.271) 6.487 3.083 ( -3.532 0.000 4.004) 5.339 3.137 ( 2.802 0.000 -2.160) 3.538 3.262 ( 1.185 0.000 -10.466) 10.533 3.288 ( 0.134 0.000 -0.103) 0.168 3.336 ( -0.726 0.000 2.311) 2.422 3.416 ( 3.134 0.000 4.324) 5.340 3.474 ( -3.185 0.000 -0.194) 3.190 3.480 ( 3.720 0.000 6.155) 7.192 3.600 ( -1.233 0.000 1.608) 2.026 3.634 ( -2.342 0.000 4.506) 5.078 3.694 ( -2.517 0.000 3.981) 4.710 3.773 ( 6.962 0.000 -3.423) 7.758 3.830 ( -5.855 0.000 9.373) 11.052 3.883 ( 2.139 0.000 -4.730) 5.191 3.919 ( -6.169 0.000 -5.138) 8.028 3.937 ( -3.702 0.000 0.829) 3.794 3.963 ( 1.929 0.000 -4.054) 4.490 4.042 ( -4.532 0.000 -4.897) 6.672 4.215 ( 1.342 0.000 -2.923) 3.216 4.281 ( -4.940 0.000 1.195) 5.083 4.377 ( 4.417 0.000 -0.643) 4.464 4.383 ( 0.654 0.000 1.628) 1.754 4.482 ( -6.791 0.000 -2.755) 7.328 4.603 ( -3.331 0.000 -3.933) 5.154 4.647 ( 6.673 0.000 -3.358) 7.470 4.693 ( -1.453 0.000 -3.703) 3.978 4.725 ( 2.058 0.000 -0.948) 2.266 4.838 ( 1.439 0.000 4.700) 4.915 4.893 ( -5.306 0.000 -6.412) 8.323 5.134 ( -1.152 0.000 -6.864) 6.960 5.167 ( -0.192 0.000 -2.639) 2.646 5.298 ( 4.386 0.000 0.714) 4.443 5.321 ( 0.287 0.000 -1.956) 1.977 5.426 ( -4.060 0.000 -0.378) 4.078 5.453 ( 0.112 0.000 2.372) 2.375 5.594 ( -4.185 0.000 -13.172) 13.821 5.631 ( 1.671 0.000 7.194) 7.386 5.825 ( 2.984 0.000 -3.852) 4.873 5.874 ( -2.454 0.000 4.568) 5.186 5.935 ( -8.571 0.000 -0.162) 8.573 5.990 ( -5.290 0.000 -3.551) 6.372 6.136 ( 4.591 0.000 2.531) 5.242 6.178 ( 4.006 0.000 5.339) 6.675 6.262 ( 6.165 0.000 -3.442) 7.061 6.343 ( 1.510 0.000 12.207) 12.300 6.396 ( -4.357 0.000 -2.757) 5.156 6.487 ( 1.550 0.000 0.469) 1.619 6.519 ( 1.673 0.000 0.859) 1.880 6.539 ( -2.062 0.000 4.062) 4.556 6.774 ( 1.088 0.000 1.941) 2.225 6.841 ( 3.492 0.000 4.367) 5.591 6.909 ( 2.580 0.000 -2.881) 3.867 7.053 ( -3.595 0.000 5.264) 6.375 7.086 ( -3.503 0.000 0.464) 3.534 7.217 ( -0.841 0.000 0.031) 0.841 7.268 ( -0.116 0.000 1.419) 1.424 7.275 ( -0.763 0.000 -0.932) 1.205 7.338 ( 0.613 0.000 -2.859) 2.924 7.352 ( -0.132 0.000 4.251) 4.253 7.422 ( 4.819 0.000 4.640) 6.690 7.464 ( -1.804 0.000 -0.840) 1.990 7.555 ( -5.202 0.000 0.422) 5.219 7.608 ( -3.609 0.000 4.750) 5.965 7.794 ( 1.181 0.000 -3.180) 3.392 7.925 ( 5.958 0.000 -0.045) 5.958 8.005 ( 3.192 0.000 -1.130) 3.386 8.185 ( -5.817 0.000 4.783) 7.531 8.214 ( 3.193 0.000 -3.786) 4.952 8.217 ( -1.579 0.000 -4.554) 4.820 8.417 ( -2.663 0.000 -0.030) 2.663 8.599 ( 4.648 0.000 -7.842) 9.116 8.651 ( 5.909 0.000 -1.409) 6.075 8.714 ( -0.541 0.000 1.752) 1.833 9.033 ( 1.389 0.000 -0.189) 1.402 9.217 ( 1.820 0.000 -12.365) 12.498 9.481 ( 11.254 0.000 5.266) 12.425 9.680 ( 2.667 0.000 5.232) 5.872 9.863 ( -9.399 0.000 -3.865) 10.162 10.068 ( 4.983 0.000 -5.439) 7.376 10.404 ( -0.649 0.000 -0.958) 1.157 10.470 ( 4.422 0.000 7.998) 9.139 10.513 ( 4.423 0.000 1.698) 4.738 12.853 ( -3.703 0.000 1.655) 4.056 12.928 ( 1.365 0.000 -2.953) 3.254 13.136 ( 0.969 0.000 -1.129) 1.488 13.171 ( 1.920 0.000 1.898) 2.699 13.209 ( -4.526 0.000 3.752) 5.879 13.230 ( 1.511 0.000 -0.799) 1.709 13.279 ( -2.740 0.000 -0.643) 2.814 13.386 ( -3.250 0.000 -1.477) 3.570 14.053 ( 7.788 0.000 1.518) 7.935 14.107 ( 2.025 0.000 -2.518) 3.231 14.186 ( 0.661 0.000 3.284) 3.349 14.298 ( 0.599 0.000 5.219) 5.253 14.327 ( -4.947 0.000 -1.348) 5.128 14.678 ( 2.141 0.000 -2.343) 3.174 14.707 ( -2.730 0.000 -2.403) 3.637 14.763 ( -0.500 0.000 -5.974) 5.995 14.771 ( 0.558 0.000 3.723) 3.765 14.811 ( -1.727 0.000 -2.662) 3.173 14.838 ( -0.214 0.000 0.212) 0.301 15.183 ( -3.948 0.000 -1.123) 4.104 15.215 ( 0.630 0.000 -1.712) 1.824 15.216 ( -0.673 0.000 4.023) 4.079 15.324 ( -3.779 0.000 0.678) 3.840 15.370 ( -4.502 0.000 -0.086) 4.503 15.846 ( 0.856 0.000 -4.330) 4.414 16.035 ( 2.066 0.000 -1.389) 2.489 16.335 ( 8.525 0.000 6.683) 10.832 16.430 ( 1.159 0.000 -3.616) 3.797 16.566 ( -0.930 0.000 -5.497) 5.576 16.621 ( -7.807 0.000 17.557) 19.214 16.979 ( -7.324 0.000 3.037) 7.929 16.996 ( -5.568 0.000 -1.593) 5.791 18.243 ( -1.676 0.000 1.142) 2.028 18.263 ( 0.860 0.000 -1.865) 2.054 18.338 ( 0.374 0.000 3.581) 3.601 18.432 ( -1.838 0.000 0.506) 1.906 18.702 ( -0.285 0.000 -0.818) 0.867 18.761 ( 3.875 0.000 0.010) 3.875 18.811 ( 0.622 0.000 3.723) 3.774 18.931 ( -0.345 0.000 -1.914) 1.945 19.055 ( 0.592 0.000 0.286) 0.658 19.130 ( -1.910 0.000 -0.076) 1.912 19.262 ( -3.920 0.000 1.803) 4.315 19.468 ( 2.880 0.000 -8.984) 9.434 19.617 ( 6.720 0.000 -7.891) 10.365 19.634 ( -1.113 0.000 1.635) 1.978 20.006 ( 5.793 0.000 0.309) 5.801 20.011 ( 1.512 0.000 2.667) 3.066 20.541 ( -2.152 0.000 1.341) 2.536 20.627 ( -2.020 0.000 3.143) 3.736 20.837 ( -4.051 0.000 -0.987) 4.170 21.103 ( -3.440 0.000 -1.199) 3.643 21.338 ( 2.271 0.000 -0.362) 2.300 21.349 ( -0.889 0.000 -0.988) 1.329 21.434 ( -2.875 0.000 0.032) 2.875 21.463 ( -4.103 0.000 1.728) 4.451 21.871 ( 0.816 0.000 1.425) 1.642 21.893 ( 3.372 0.000 1.706) 3.779 21.934 ( -0.944 0.000 -0.783) 1.226 21.949 ( 0.285 0.000 -0.021) 0.286 22.115 ( 3.800 0.000 -2.287) 4.435 22.120 ( 2.572 0.000 -1.652) 3.057 22.322 ( 3.301 0.000 1.612) 3.674 22.432 ( 1.044 0.000 -2.377) 2.596 ======================= Grid point 52 (20/64) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( -13.278 0.000 5.100) 14.224 1.398 ( -15.141 0.000 -1.710) 15.237 1.499 ( 7.530 0.000 -3.234) 8.195 1.677 ( 4.452 0.000 7.377) 8.616 1.791 ( 14.987 0.000 4.790) 15.734 1.855 ( 9.066 0.000 9.695) 13.274 1.956 ( 1.089 0.000 -8.361) 8.432 1.962 ( -1.736 0.000 11.953) 12.078 2.164 ( 2.637 0.000 7.664) 8.105 2.231 ( -3.633 0.000 -6.387) 7.348 2.255 ( 7.069 0.000 -5.603) 9.020 2.331 ( -3.282 0.000 1.629) 3.664 2.414 ( -12.612 0.000 -3.036) 12.973 2.550 ( -9.381 0.000 -4.237) 10.293 2.575 ( 3.434 0.000 2.523) 4.261 2.629 ( 0.355 0.000 -4.505) 4.519 2.649 ( 1.094 0.000 -0.750) 1.326 2.842 ( -1.894 0.000 -0.967) 2.126 2.894 ( 9.971 0.000 -0.977) 10.018 2.917 ( -6.868 0.000 10.206) 12.302 2.944 ( -0.870 0.000 -2.252) 2.414 2.977 ( -2.693 0.000 -6.272) 6.825 3.046 ( 6.818 0.000 0.699) 6.854 3.210 ( 0.762 0.000 6.846) 6.888 3.253 ( -0.370 0.000 -12.082) 12.087 3.292 ( 2.849 0.000 -4.729) 5.521 3.328 ( 0.319 0.000 1.217) 1.258 3.381 ( 1.941 0.000 1.185) 2.274 3.443 ( -9.805 0.000 -1.601) 9.934 3.525 ( -3.609 0.000 12.280) 12.799 3.587 ( 3.626 0.000 2.996) 4.703 3.642 ( 2.156 0.000 7.319) 7.630 3.654 ( -9.017 0.000 1.389) 9.123 3.739 ( 4.668 0.000 5.343) 7.095 3.773 ( 0.958 0.000 7.274) 7.337 3.859 ( -3.299 0.000 -2.854) 4.362 3.912 ( -0.121 0.000 1.393) 1.398 3.924 ( 3.271 0.000 -0.439) 3.300 3.995 ( 1.408 0.000 -1.317) 1.927 4.013 ( 4.282 0.000 -4.933) 6.532 4.258 ( 1.422 0.000 -9.297) 9.405 4.269 ( 5.972 0.000 -1.350) 6.123 4.346 ( -4.662 0.000 -0.929) 4.753 4.370 ( -1.103 0.000 -1.778) 2.092 4.452 ( -4.792 0.000 0.008) 4.792 4.563 ( 6.816 0.000 1.891) 7.074 4.609 ( -4.643 0.000 -8.944) 10.078 4.737 ( -0.074 0.000 -2.858) 2.859 4.830 ( 4.387 0.000 -1.057) 4.512 4.831 ( -0.766 0.000 -2.193) 2.323 4.907 ( 3.660 0.000 4.528) 5.822 5.147 ( 2.603 0.000 -6.039) 6.576 5.184 ( 3.080 0.000 -6.200) 6.923 5.307 ( -8.076 0.000 -2.697) 8.515 5.315 ( -0.207 0.000 -3.281) 3.288 5.350 ( 1.441 0.000 -6.440) 6.600 5.441 ( -1.335 0.000 1.917) 2.336 5.550 ( 3.610 0.000 -8.387) 9.131 5.663 ( -0.385 0.000 7.653) 7.663 5.784 ( -3.083 0.000 -2.259) 3.822 5.820 ( -2.353 0.000 5.602) 6.076 5.886 ( 1.066 0.000 -1.583) 1.909 5.901 ( -2.870 0.000 -2.122) 3.569 6.170 ( -2.014 0.000 -3.349) 3.908 6.280 ( 4.707 0.000 5.475) 7.220 6.338 ( -2.210 0.000 2.050) 3.015 6.355 ( 2.271 0.000 -4.194) 4.769 6.381 ( 1.735 0.000 11.102) 11.237 6.472 ( -1.821 0.000 8.379) 8.575 6.551 ( 2.114 0.000 -0.818) 2.267 6.581 ( 3.222 0.000 -1.813) 3.697 6.770 ( -0.802 0.000 5.940) 5.994 6.894 ( 1.486 0.000 6.341) 6.513 6.926 ( -1.859 0.000 -7.219) 7.455 7.007 ( -3.518 0.000 -0.719) 3.590 7.016 ( -1.600 0.000 5.174) 5.416 7.209 ( 0.228 0.000 -0.394) 0.455 7.267 ( -1.171 0.000 1.689) 2.055 7.274 ( 0.626 0.000 0.076) 0.631 7.315 ( -1.634 0.000 -4.506) 4.794 7.371 ( 1.333 0.000 3.622) 3.859 7.385 ( -2.997 0.000 -0.347) 3.017 7.474 ( -2.292 0.000 2.163) 3.152 7.498 ( 1.398 0.000 2.824) 3.151 7.600 ( 0.026 0.000 6.312) 6.312 7.818 ( 1.374 0.000 -3.948) 4.180 7.953 ( -2.622 0.000 -1.611) 3.077 8.046 ( 0.190 0.000 -5.627) 5.631 8.093 ( -2.690 0.000 7.086) 7.579 8.227 ( -2.162 0.000 -6.532) 6.881 8.230 ( 3.310 0.000 0.740) 3.392 8.413 ( 1.949 0.000 1.412) 2.407 8.606 ( -0.115 0.000 -5.101) 5.102 8.719 ( 1.277 0.000 -3.653) 3.870 8.787 ( 5.559 0.000 1.438) 5.742 9.007 ( -2.665 0.000 -6.581) 7.100 9.315 ( 8.099 0.000 -2.701) 8.537 9.545 ( -11.054 0.000 -1.752) 11.192 9.674 ( -3.443 0.000 6.142) 7.041 9.784 ( 7.554 0.000 0.736) 7.590 10.158 ( 4.655 0.000 -3.970) 6.118 10.319 ( -5.669 0.000 -6.535) 8.651 10.589 ( 6.309 0.000 10.754) 12.468 10.610 ( 2.891 0.000 5.158) 5.913 12.808 ( -0.854 0.000 1.287) 1.545 12.962 ( 2.066 0.000 -3.744) 4.276 13.114 ( -3.828 0.000 1.744) 4.206 13.148 ( 1.029 0.000 -0.356) 1.089 13.214 ( 0.265 0.000 1.546) 1.568 13.243 ( -0.193 0.000 1.023) 1.041 13.274 ( 0.262 0.000 -0.525) 0.587 13.336 ( 0.571 0.000 -1.126) 1.262 14.113 ( -0.120 0.000 -0.636) 0.647 14.199 ( -6.884 0.000 0.531) 6.904 14.210 ( 0.721 0.000 1.398) 1.573 14.212 ( 6.996 0.000 -0.046) 6.996 14.324 ( -0.665 0.000 6.207) 6.243 14.636 ( -0.940 0.000 -0.756) 1.206 14.713 ( 1.578 0.000 -3.008) 3.397 14.733 ( -2.393 0.000 -1.708) 2.940 14.787 ( 0.353 0.000 -6.968) 6.977 14.811 ( 0.081 0.000 0.472) 0.479 14.862 ( 3.441 0.000 3.386) 4.828 15.106 ( -3.004 0.000 -2.482) 3.897 15.214 ( -0.295 0.000 5.047) 5.056 15.261 ( 2.500 0.000 -1.307) 2.821 15.272 ( -1.267 0.000 -1.570) 2.018 15.293 ( -1.608 0.000 1.024) 1.906 15.801 ( -3.942 0.000 -6.730) 7.799 15.979 ( -5.591 0.000 -8.296) 10.004 16.374 ( -6.934 0.000 11.220) 13.190 16.410 ( -3.273 0.000 4.370) 5.460 16.645 ( 6.383 0.000 0.763) 6.428 16.645 ( 7.235 0.000 2.951) 7.814 16.830 ( -6.897 0.000 2.442) 7.316 16.932 ( 0.951 0.000 -1.663) 1.916 18.220 ( -0.658 0.000 -1.081) 1.266 18.292 ( 1.912 0.000 -1.109) 2.211 18.363 ( 1.326 0.000 3.180) 3.445 18.410 ( -0.011 0.000 0.733) 0.733 18.696 ( -0.196 0.000 -0.375) 0.423 18.799 ( -0.891 0.000 -2.659) 2.804 18.830 ( 0.586 0.000 3.947) 3.990 18.952 ( 3.164 0.000 0.954) 3.304 19.053 ( -0.746 0.000 -0.360) 0.828 19.084 ( -2.312 0.000 1.221) 2.614 19.209 ( -1.561 0.000 -0.857) 1.781 19.485 ( 0.905 0.000 -3.954) 4.056 19.609 ( -1.656 0.000 -0.240) 1.673 19.732 ( 5.406 0.000 -8.107) 9.744 20.043 ( 1.205 0.000 4.148) 4.319 20.067 ( 0.372 0.000 0.610) 0.714 20.531 ( 0.789 0.000 1.500) 1.695 20.583 ( -2.729 0.000 0.424) 2.762 20.824 ( 3.062 0.000 2.102) 3.714 21.041 ( -2.388 0.000 -3.071) 3.890 21.353 ( 1.619 0.000 -0.922) 1.863 21.364 ( -1.545 0.000 -1.291) 2.013 21.398 ( -2.546 0.000 0.955) 2.719 21.408 ( 2.453 0.000 0.761) 2.568 21.875 ( -0.717 0.000 0.468) 0.856 21.902 ( -1.677 0.000 -0.771) 1.845 21.950 ( 1.533 0.000 1.833) 2.389 21.965 ( 0.985 0.000 1.553) 1.839 22.144 ( -0.109 0.000 -1.905) 1.908 22.162 ( 0.708 0.000 -2.774) 2.863 22.357 ( -0.090 0.000 1.588) 1.591 22.437 ( 0.247 0.000 -0.533) 0.587 ======================= Grid point 53 (21/64) ======================= q-point: (-0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( -20.065 0.000 5.125) 20.709 1.037 ( -19.588 0.000 7.817) 21.090 1.630 ( 3.543 0.000 7.795) 8.563 1.697 ( -2.328 0.000 5.406) 5.886 1.826 ( -9.389 0.000 -1.662) 9.535 1.835 ( -7.281 0.000 9.387) 11.880 1.923 ( -19.718 0.000 5.895) 20.580 2.085 ( 7.011 0.000 3.548) 7.857 2.100 ( -15.138 0.000 -7.428) 16.862 2.192 ( 0.831 0.000 -3.556) 3.652 2.225 ( 1.135 0.000 4.412) 4.556 2.276 ( -1.436 0.000 5.203) 5.398 2.346 ( 12.180 0.000 -5.446) 13.342 2.406 ( 5.609 0.000 -1.474) 5.800 2.619 ( -1.485 0.000 -3.183) 3.513 2.688 ( -1.238 0.000 -4.798) 4.955 2.733 ( 8.880 0.000 2.261) 9.163 2.774 ( -0.290 0.000 0.352) 0.456 2.881 ( -3.177 0.000 -0.509) 3.217 2.944 ( 2.629 0.000 -4.394) 5.120 2.946 ( 3.512 0.000 2.259) 4.176 3.091 ( 5.490 0.000 4.584) 7.152 3.157 ( 4.001 0.000 -6.514) 7.644 3.175 ( -3.610 0.000 2.522) 4.404 3.217 ( -1.369 0.000 -9.774) 9.869 3.253 ( -0.841 0.000 1.771) 1.961 3.350 ( -1.085 0.000 5.472) 5.579 3.389 ( 0.330 0.000 -0.260) 0.420 3.465 ( 3.702 0.000 0.155) 3.706 3.490 ( 4.202 0.000 2.117) 4.705 3.543 ( 0.794 0.000 1.468) 1.669 3.670 ( 1.460 0.000 -3.306) 3.614 3.718 ( 0.783 0.000 10.593) 10.622 3.726 ( -3.992 0.000 -0.998) 4.115 3.816 ( 2.330 0.000 3.226) 3.979 3.853 ( 3.458 0.000 1.789) 3.893 3.910 ( 0.170 0.000 -1.831) 1.839 3.964 ( -1.431 0.000 -1.601) 2.147 4.030 ( 1.944 0.000 1.368) 2.377 4.110 ( 2.915 0.000 -6.003) 6.673 4.182 ( -4.626 0.000 -3.926) 6.067 4.232 ( -5.862 0.000 -2.786) 6.491 4.363 ( 2.284 0.000 4.507) 5.053 4.457 ( -1.295 0.000 -0.729) 1.486 4.481 ( 5.163 0.000 -3.820) 6.423 4.549 ( 10.405 0.000 1.516) 10.514 4.675 ( -5.983 0.000 -6.633) 8.932 4.715 ( 8.875 0.000 -3.653) 9.598 4.829 ( -0.925 0.000 -2.925) 3.067 4.830 ( 0.345 0.000 -0.074) 0.353 4.994 ( 4.372 0.000 4.503) 6.276 5.105 ( -8.001 0.000 -5.170) 9.526 5.175 ( 0.996 0.000 -6.722) 6.795 5.212 ( -1.313 0.000 -3.565) 3.799 5.314 ( 0.168 0.000 -0.304) 0.347 5.421 ( -0.220 0.000 -1.406) 1.423 5.476 ( 9.098 0.000 -7.181) 11.591 5.614 ( -4.591 0.000 8.967) 10.074 5.629 ( 3.750 0.000 -4.024) 5.501 5.805 ( 3.701 0.000 -2.502) 4.468 5.818 ( 0.757 0.000 -1.154) 1.380 5.886 ( 0.694 0.000 -2.228) 2.334 5.903 ( 3.043 0.000 6.926) 7.565 6.103 ( -2.557 0.000 -4.176) 4.896 6.240 ( -6.319 0.000 4.998) 8.056 6.310 ( -5.097 0.000 0.836) 5.165 6.383 ( 3.929 0.000 8.131) 9.031 6.466 ( 4.376 0.000 5.570) 7.083 6.493 ( 2.090 0.000 2.944) 3.610 6.564 ( -1.420 0.000 1.281) 1.912 6.579 ( -3.633 0.000 0.417) 3.657 6.742 ( -7.486 0.000 -4.804) 8.894 6.839 ( 0.903 0.000 -0.286) 0.948 6.950 ( 1.227 0.000 8.994) 9.077 6.979 ( -0.654 0.000 4.260) 4.310 6.981 ( -0.336 0.000 -2.124) 2.151 7.215 ( 0.248 0.000 -1.883) 1.899 7.221 ( -3.412 0.000 -1.478) 3.718 7.256 ( -1.355 0.000 -2.669) 2.993 7.299 ( 1.648 0.000 1.183) 2.029 7.380 ( 0.452 0.000 0.112) 0.466 7.402 ( 1.732 0.000 1.780) 2.483 7.494 ( 3.464 0.000 2.638) 4.354 7.526 ( 1.055 0.000 2.250) 2.485 7.580 ( -2.395 0.000 6.675) 7.092 7.790 ( -4.881 0.000 -5.852) 7.621 7.895 ( -0.911 0.000 -0.694) 1.145 7.984 ( -3.242 0.000 0.253) 3.252 8.127 ( 2.299 0.000 1.482) 2.735 8.142 ( -4.131 0.000 -6.780) 7.940 8.306 ( 3.401 0.000 -0.699) 3.472 8.426 ( -1.329 0.000 -4.237) 4.441 8.640 ( 3.024 0.000 2.394) 3.857 8.705 ( -1.963 0.000 0.093) 1.966 8.877 ( 1.890 0.000 4.385) 4.775 8.951 ( -1.181 0.000 -10.902) 10.966 9.269 ( -13.010 0.000 -5.049) 13.955 9.482 ( 7.422 0.000 3.265) 8.108 9.589 ( -4.661 0.000 3.346) 5.738 9.921 ( 3.056 0.000 -1.692) 3.493 10.219 ( -1.397 0.000 -5.742) 5.909 10.237 ( 3.535 0.000 -0.850) 3.636 10.631 ( -0.990 0.000 2.636) 2.816 10.749 ( 7.699 0.000 9.810) 12.470 12.823 ( 2.175 0.000 0.294) 2.195 12.966 ( -1.355 0.000 -2.385) 2.743 13.096 ( 1.682 0.000 -0.291) 1.707 13.175 ( 0.770 0.000 1.257) 1.474 13.181 ( -1.937 0.000 2.412) 3.093 13.246 ( -0.427 0.000 -0.156) 0.455 13.272 ( 1.232 0.000 0.205) 1.249 13.385 ( 2.276 0.000 -1.518) 2.736 14.052 ( -6.887 0.000 1.226) 6.995 14.102 ( -1.312 0.000 -0.915) 1.600 14.230 ( 1.601 0.000 1.022) 1.900 14.292 ( -2.099 0.000 6.900) 7.212 14.334 ( 4.424 0.000 -0.876) 4.510 14.630 ( -1.128 0.000 -2.037) 2.329 14.684 ( -1.842 0.000 0.171) 1.850 14.733 ( 0.520 0.000 -2.562) 2.614 14.778 ( -0.366 0.000 -8.580) 8.587 14.804 ( -0.788 0.000 1.879) 2.038 14.956 ( 4.794 0.000 4.258) 6.412 15.057 ( -1.884 0.000 -3.015) 3.555 15.215 ( -0.346 0.000 4.223) 4.238 15.247 ( 0.153 0.000 0.435) 0.461 15.271 ( 1.715 0.000 -6.031) 6.270 15.386 ( 7.252 0.000 1.473) 7.400 15.707 ( -3.749 0.000 -1.982) 4.240 15.844 ( -6.128 0.000 -7.649) 9.801 16.219 ( -9.953 0.000 8.433) 13.046 16.239 ( -12.248 0.000 1.277) 12.314 16.658 ( -4.940 0.000 0.869) 5.016 16.805 ( 7.037 0.000 5.423) 8.884 16.847 ( 7.370 0.000 0.005) 7.370 17.005 ( 4.672 0.000 -0.826) 4.745 18.212 ( 0.055 0.000 -1.393) 1.394 18.313 ( 0.036 0.000 0.534) 0.535 18.398 ( 1.795 0.000 3.950) 4.339 18.449 ( 3.327 0.000 1.147) 3.519 18.695 ( 0.097 0.000 0.328) 0.342 18.742 ( -3.549 0.000 -1.182) 3.741 18.841 ( -0.076 0.000 3.437) 3.438 18.996 ( -0.744 0.000 1.357) 1.548 19.030 ( -1.167 0.000 -0.603) 1.313 19.095 ( 4.714 0.000 -0.950) 4.809 19.191 ( 0.122 0.000 -2.920) 2.923 19.505 ( 1.464 0.000 -2.754) 3.119 19.572 ( -1.657 0.000 -1.349) 2.137 19.814 ( 3.938 0.000 -6.099) 7.259 20.024 ( -4.763 0.000 0.920) 4.852 20.067 ( 0.264 0.000 2.499) 2.513 20.564 ( 1.624 0.000 -0.318) 1.655 20.579 ( 3.893 0.000 5.370) 6.632 20.916 ( 4.453 0.000 3.261) 5.520 21.005 ( -0.541 0.000 -5.649) 5.675 21.328 ( -1.484 0.000 -0.421) 1.542 21.363 ( -0.759 0.000 -0.728) 1.052 21.418 ( 4.647 0.000 -0.023) 4.647 21.483 ( 4.411 0.000 1.534) 4.670 21.854 ( -1.176 0.000 0.857) 1.455 21.864 ( -1.933 0.000 0.278) 1.952 21.966 ( 0.038 0.000 0.884) 0.885 21.978 ( -0.048 0.000 1.252) 1.253 22.106 ( -3.278 0.000 -2.156) 3.924 22.128 ( -3.524 0.000 -2.523) 4.334 22.326 ( -3.087 0.000 1.496) 3.431 22.444 ( 0.119 0.000 -2.138) 2.142 ======================= Grid point 54 (22/64) ======================= q-point: (-0.17 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.616 ( -17.255 0.000 14.121) 22.297 0.684 ( -17.032 0.000 18.837) 25.395 1.243 ( -30.152 0.000 30.491) 42.882 1.531 ( -7.135 0.000 4.202) 8.280 1.725 ( 1.046 0.000 6.850) 6.929 1.800 ( -1.935 0.000 14.774) 14.900 1.839 ( -7.001 0.000 -12.723) 14.522 1.878 ( 0.849 0.000 -4.437) 4.518 2.045 ( -4.162 0.000 -2.382) 4.795 2.252 ( 0.448 0.000 3.590) 3.617 2.268 ( 2.115 0.000 2.593) 3.346 2.307 ( 1.920 0.000 0.159) 1.926 2.424 ( -2.071 0.000 0.755) 2.205 2.561 ( -2.709 0.000 -0.014) 2.709 2.570 ( 3.072 0.000 -3.468) 4.633 2.630 ( -2.157 0.000 -0.411) 2.196 2.822 ( -0.506 0.000 -0.832) 0.973 2.836 ( 2.534 0.000 -1.421) 2.905 2.881 ( 8.815 0.000 -0.473) 8.828 3.031 ( 3.257 0.000 -1.587) 3.623 3.053 ( 7.118 0.000 -4.241) 8.285 3.108 ( -0.241 0.000 -3.529) 3.537 3.156 ( 1.192 0.000 3.243) 3.455 3.169 ( 0.976 0.000 -17.219) 17.247 3.242 ( 3.867 0.000 -2.467) 4.587 3.261 ( -0.380 0.000 0.961) 1.033 3.310 ( -2.115 0.000 10.942) 11.144 3.489 ( 5.335 0.000 -0.934) 5.416 3.519 ( 0.509 0.000 5.436) 5.460 3.573 ( 0.304 0.000 -6.352) 6.359 3.606 ( 5.610 0.000 -0.270) 5.616 3.616 ( -3.815 0.000 0.549) 3.854 3.694 ( -1.030 0.000 12.021) 12.065 3.737 ( 4.490 0.000 -11.035) 11.913 3.829 ( -8.133 0.000 3.496) 8.853 3.844 ( -0.106 0.000 -0.741) 0.748 3.892 ( -4.406 0.000 -5.240) 6.846 3.980 ( 5.822 0.000 -1.726) 6.072 4.055 ( -1.526 0.000 2.719) 3.118 4.096 ( 2.579 0.000 -2.220) 3.403 4.126 ( -0.667 0.000 -3.616) 3.677 4.224 ( 2.585 0.000 5.289) 5.887 4.327 ( -5.699 0.000 1.492) 5.891 4.424 ( 0.051 0.000 0.321) 0.325 4.491 ( -5.681 0.000 -16.578) 17.525 4.578 ( 0.902 0.000 -0.973) 1.327 4.728 ( 2.581 0.000 1.880) 3.194 4.846 ( 4.696 0.000 3.527) 5.873 4.857 ( 3.778 0.000 -4.737) 6.059 4.925 ( 8.296 0.000 -5.131) 9.755 5.000 ( -0.630 0.000 -2.924) 2.991 5.121 ( 7.653 0.000 6.992) 10.366 5.186 ( -1.442 0.000 0.117) 1.447 5.187 ( 0.820 0.000 -7.745) 7.788 5.340 ( 4.307 0.000 1.264) 4.489 5.419 ( -0.276 0.000 -2.087) 2.105 5.541 ( -3.669 0.000 6.516) 7.478 5.547 ( -0.064 0.000 -0.957) 0.959 5.710 ( 2.504 0.000 -5.153) 5.729 5.750 ( -4.468 0.000 -5.332) 6.956 5.850 ( 2.529 0.000 1.929) 3.181 5.979 ( 3.529 0.000 -3.949) 5.295 5.982 ( 2.406 0.000 5.629) 6.121 6.110 ( 2.653 0.000 5.012) 5.671 6.175 ( 0.871 0.000 1.386) 1.637 6.194 ( -5.189 0.000 4.806) 7.073 6.414 ( -11.845 0.000 -4.188) 12.563 6.439 ( 0.473 0.000 6.853) 6.869 6.510 ( -3.162 0.000 3.159) 4.470 6.538 ( 1.758 0.000 0.629) 1.867 6.556 ( 3.393 0.000 8.050) 8.735 6.598 ( -4.485 0.000 1.377) 4.691 6.891 ( -3.945 0.000 1.925) 4.390 6.910 ( 5.027 0.000 -3.400) 6.069 6.965 ( -1.158 0.000 -4.578) 4.722 7.083 ( 5.999 0.000 7.594) 9.678 7.146 ( -2.820 0.000 -3.486) 4.484 7.215 ( 0.376 0.000 -1.796) 1.835 7.269 ( 1.715 0.000 1.916) 2.572 7.330 ( 1.021 0.000 1.349) 1.691 7.364 ( -1.912 0.000 0.377) 1.948 7.453 ( 2.399 0.000 1.492) 2.825 7.510 ( -1.969 0.000 3.014) 3.600 7.537 ( -2.921 0.000 -2.121) 3.610 7.580 ( 1.200 0.000 4.675) 4.827 7.700 ( 0.671 0.000 -1.665) 1.795 7.900 ( 1.360 0.000 -0.843) 1.600 7.962 ( 1.108 0.000 2.171) 2.437 8.082 ( -0.370 0.000 -6.527) 6.537 8.123 ( -3.116 0.000 -2.217) 3.824 8.337 ( -6.800 0.000 -5.484) 8.736 8.354 ( 1.532 0.000 -2.059) 2.567 8.668 ( -1.358 0.000 4.382) 4.588 8.701 ( 2.167 0.000 6.129) 6.500 8.809 ( -8.899 0.000 4.333) 9.898 8.936 ( 1.026 0.000 -11.074) 11.122 9.118 ( -0.886 0.000 -4.545) 4.630 9.472 ( -4.519 0.000 -1.730) 4.839 9.653 ( 6.464 0.000 7.446) 9.861 9.911 ( -0.765 0.000 -4.736) 4.798 10.259 ( 3.851 0.000 -3.596) 5.269 10.295 ( 2.302 0.000 1.404) 2.697 10.593 ( -2.706 0.000 0.214) 2.715 10.790 ( -12.768 0.000 -16.198) 20.625 12.887 ( 3.893 0.000 -0.739) 3.962 12.946 ( 0.316 0.000 0.382) 0.496 13.136 ( 3.139 0.000 1.528) 3.491 13.154 ( -2.402 0.000 1.884) 3.052 13.181 ( 1.196 0.000 0.206) 1.214 13.283 ( 2.591 0.000 0.450) 2.630 13.283 ( 0.938 0.000 3.356) 3.484 13.400 ( -0.119 0.000 -1.483) 1.487 13.958 ( -2.256 0.000 3.093) 3.828 14.057 ( -2.547 0.000 -2.485) 3.558 14.268 ( -0.344 0.000 2.725) 2.747 14.290 ( 2.609 0.000 5.522) 6.108 14.385 ( 1.528 0.000 -2.111) 2.606 14.584 ( -2.365 0.000 -2.951) 3.782 14.639 ( -3.513 0.000 -5.931) 6.893 14.722 ( 1.677 0.000 0.660) 1.802 14.782 ( -1.486 0.000 3.979) 4.247 14.822 ( 7.504 0.000 5.317) 9.196 15.003 ( -3.484 0.000 -2.475) 4.274 15.035 ( 2.026 0.000 2.265) 3.039 15.216 ( 0.327 0.000 1.118) 1.165 15.276 ( 1.953 0.000 0.130) 1.957 15.302 ( 1.514 0.000 -7.268) 7.424 15.573 ( 10.851 0.000 4.339) 11.686 15.718 ( 7.308 0.000 12.299) 14.306 15.722 ( -5.379 0.000 -5.584) 7.754 15.993 ( -11.049 0.000 1.812) 11.196 16.013 ( -11.076 0.000 6.976) 13.089 16.568 ( -3.769 0.000 -2.702) 4.637 16.900 ( 1.117 0.000 1.386) 1.780 16.976 ( 4.551 0.000 1.303) 4.734 17.082 ( 3.117 0.000 0.193) 3.123 18.219 ( 0.789 0.000 -0.766) 1.100 18.304 ( -0.829 0.000 0.383) 0.914 18.459 ( 4.515 0.000 4.897) 6.661 18.504 ( 1.121 0.000 2.598) 2.830 18.681 ( -2.126 0.000 0.302) 2.147 18.701 ( 0.450 0.000 1.099) 1.188 18.837 ( -0.501 0.000 1.989) 2.051 18.970 ( -1.226 0.000 -0.530) 1.336 19.016 ( -0.149 0.000 0.486) 0.508 19.166 ( 0.644 0.000 -0.364) 0.740 19.257 ( 7.639 0.000 -4.121) 8.680 19.529 ( 1.135 0.000 -2.308) 2.572 19.557 ( 0.930 0.000 -1.808) 2.033 19.874 ( 2.576 0.000 -4.817) 5.462 19.897 ( -7.564 0.000 1.998) 7.824 20.008 ( -8.675 0.000 -7.357) 11.374 20.639 ( 4.918 0.000 0.221) 4.923 20.741 ( 12.356 0.000 11.197) 16.674 20.976 ( 0.852 0.000 2.828) 2.953 21.002 ( 0.898 0.000 -6.428) 6.491 21.297 ( -1.861 0.000 0.714) 1.993 21.365 ( 1.092 0.000 -1.465) 1.827 21.527 ( 5.426 0.000 0.169) 5.428 21.595 ( 7.226 0.000 3.861) 8.193 21.832 ( -1.347 0.000 1.979) 2.394 21.842 ( -0.003 0.000 0.537) 0.537 21.960 ( -0.452 0.000 -0.530) 0.696 21.967 ( -1.086 0.000 0.579) 1.230 22.023 ( -4.045 0.000 -1.813) 4.432 22.026 ( -5.977 0.000 -2.998) 6.687 22.251 ( -4.026 0.000 0.946) 4.135 22.387 ( -7.270 0.000 -7.676) 10.572 ======================= Grid point 55 (23/64) ======================= q-point: ( 0.00 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.588 ( 2.890 10.572 20.097) 22.892 0.765 ( 3.926 18.387 20.739) 27.993 1.170 ( 1.751 15.241 33.741) 37.065 1.426 ( -1.685 -5.287 0.890) 5.619 1.680 ( -1.410 -3.497 3.796) 5.350 1.711 ( -5.012 3.826 11.258) 12.903 1.885 ( -1.929 10.522 -10.156) 14.750 1.969 ( 3.031 3.718 3.563) 5.976 1.977 ( -1.451 -4.517 3.079) 5.656 2.239 ( 3.189 -2.283 -4.813) 6.209 2.261 ( -1.894 2.346 3.405) 4.548 2.351 ( -2.709 3.274 -2.001) 4.697 2.388 ( -0.361 -0.990 4.352) 4.477 2.444 ( -0.516 -0.551 -0.487) 0.898 2.504 ( -2.293 -6.285 0.728) 6.730 2.582 ( -1.153 2.298 1.691) 3.077 2.761 ( 0.494 -1.958 0.386) 2.056 2.865 ( -0.258 -4.289 4.510) 6.229 2.930 ( 0.994 -4.560 3.770) 6.000 3.040 ( 2.403 2.180 -14.471) 14.830 3.073 ( 2.179 -5.911 -3.837) 7.376 3.168 ( 2.437 1.441 -0.825) 2.949 3.201 ( 0.744 -2.648 -0.516) 2.798 3.219 ( 0.754 1.268 -1.446) 2.066 3.235 ( -3.533 1.712 -6.199) 7.338 3.298 ( 5.551 0.941 -4.731) 7.354 3.359 ( -2.377 1.443 -8.149) 8.610 3.388 ( 3.138 -3.219 -3.064) 5.441 3.477 ( -3.536 -0.629 0.657) 3.651 3.552 ( 0.036 -4.119 5.901) 7.196 3.592 ( -3.873 1.893 2.394) 4.931 3.627 ( -3.511 2.121 -5.038) 6.497 3.657 ( -1.430 -2.927 4.893) 5.878 3.746 ( -0.321 0.678 -2.387) 2.502 3.797 ( 2.326 1.855 -2.641) 3.978 3.849 ( 0.299 -4.178 -3.180) 5.259 3.931 ( -5.260 1.267 -5.968) 8.055 4.010 ( 1.120 0.003 3.558) 3.730 4.063 ( 2.365 -0.418 -3.631) 4.353 4.084 ( 3.671 -5.697 3.795) 7.768 4.180 ( -0.256 3.580 1.009) 3.729 4.184 ( 4.563 -1.070 4.030) 6.181 4.278 ( -2.428 -1.789 -7.438) 8.026 4.412 ( -3.740 3.735 -2.649) 5.912 4.517 ( -0.445 4.160 -9.891) 10.740 4.533 ( -1.821 -0.221 3.216) 3.702 4.753 ( 0.490 -3.993 -4.086) 5.734 4.910 ( -2.651 5.986 -1.912) 6.820 4.925 ( 2.724 -9.581 -0.686) 9.984 4.958 ( -3.374 -3.315 -0.267) 4.737 4.981 ( 1.732 -6.892 -9.234) 11.652 5.074 ( 3.073 -4.474 4.689) 7.173 5.137 ( 2.748 -7.112 1.613) 7.793 5.274 ( 0.336 -3.562 -1.228) 3.783 5.333 ( -0.443 4.366 0.981) 4.497 5.428 ( -4.454 -1.651 3.271) 5.768 5.493 ( 3.143 0.866 1.299) 3.509 5.605 ( -3.993 -0.678 -2.948) 5.009 5.631 ( 1.245 3.232 -2.321) 4.169 5.749 ( 3.707 -2.758 -0.434) 4.641 5.839 ( -1.164 -6.091 3.010) 6.894 5.919 ( 0.560 -3.279 -0.126) 3.329 5.957 ( 2.636 -5.395 4.451) 7.474 6.058 ( -3.183 -6.959 7.220) 10.521 6.154 ( 3.114 2.405 -0.674) 3.992 6.193 ( -2.281 -0.572 4.881) 5.418 6.377 ( 1.470 5.047 -3.406) 6.263 6.401 ( -4.414 -6.270 -1.731) 7.861 6.501 ( -1.157 4.067 3.158) 5.278 6.557 ( -0.762 4.938 -0.376) 5.010 6.575 ( 0.392 2.770 2.465) 3.729 6.721 ( -0.589 -2.374 5.110) 5.665 6.803 ( -0.705 6.732 0.011) 6.769 6.871 ( -1.591 0.791 -2.526) 3.088 7.012 ( 5.111 -2.314 -5.456) 7.826 7.089 ( 1.153 0.115 3.004) 3.220 7.179 ( 0.453 -4.491 -1.292) 4.695 7.226 ( -1.424 -4.499 4.297) 6.382 7.241 ( 0.389 1.016 2.101) 2.366 7.376 ( 0.706 3.949 1.846) 4.416 7.392 ( 5.929 -0.725 -1.695) 6.209 7.444 ( -0.598 5.008 3.234) 5.992 7.478 ( -2.363 2.486 -0.325) 3.445 7.587 ( -0.022 2.559 5.134) 5.736 7.650 ( 2.716 1.438 6.280) 6.991 7.851 ( 6.212 3.487 -7.205) 10.132 7.951 ( -0.377 1.535 -3.668) 3.994 7.997 ( -1.622 -0.745 -1.282) 2.198 8.059 ( -1.596 2.339 2.504) 3.780 8.184 ( -0.310 6.973 -4.613) 8.366 8.233 ( 4.000 -2.011 0.372) 4.492 8.389 ( -0.352 2.840 -5.593) 6.283 8.573 ( -0.952 -6.187 0.935) 6.329 8.622 ( -2.232 -2.801 -0.875) 3.687 8.696 ( -1.319 1.734 3.273) 3.932 8.974 ( -2.875 -7.068 -5.023) 9.135 9.219 ( 5.323 9.712 -0.042) 11.075 9.381 ( -6.939 3.212 -5.228) 9.263 9.616 ( -18.087 -5.688 12.367) 22.637 9.849 ( -0.531 -3.310 2.707) 4.309 10.015 ( 1.621 5.594 1.976) 6.150 10.308 ( 1.890 -0.204 -2.044) 2.791 10.347 ( 0.451 1.249 1.350) 1.894 10.552 ( -3.423 -0.531 -3.894) 5.212 12.947 ( -1.789 0.637 -0.812) 2.066 12.995 ( 2.552 1.084 -3.697) 4.621 13.082 ( -0.643 -0.007 2.597) 2.675 13.218 ( -4.292 2.990 -0.191) 5.235 13.253 ( 1.931 2.498 -0.971) 3.303 13.309 ( -1.815 1.808 -0.528) 2.616 13.357 ( 3.253 -2.285 3.204) 5.106 13.429 ( 2.039 0.142 -0.290) 2.065 13.907 ( -0.309 1.692 0.355) 1.757 14.023 ( -2.110 0.115 -4.579) 5.043 14.259 ( 0.804 -1.470 4.990) 5.264 14.305 ( -0.454 -2.500 2.567) 3.612 14.432 ( -0.159 2.045 -1.413) 2.491 14.588 ( -0.621 1.123 -5.481) 5.629 14.640 ( 1.959 1.707 -2.139) 3.366 14.702 ( 0.481 -3.116 1.077) 3.331 14.797 ( 0.543 2.157 -2.006) 2.996 14.897 ( -1.422 -1.109 -0.728) 1.945 14.999 ( 0.267 -1.682 0.216) 1.717 15.102 ( 1.491 -5.433 3.824) 6.809 15.229 ( 2.689 2.908 2.403) 4.633 15.328 ( 1.772 1.774 0.109) 2.510 15.475 ( 0.613 5.427 -4.338) 6.975 15.618 ( -4.625 2.695 -4.088) 6.736 15.786 ( 5.469 -1.541 2.397) 6.166 15.800 ( -0.168 -1.497 3.886) 4.168 15.885 ( 0.858 -0.129 6.651) 6.707 16.371 ( 6.827 -3.796 -5.214) 9.392 16.563 ( 20.267 4.753 1.285) 20.856 16.867 ( -2.289 1.993 -4.399) 5.344 16.964 ( -3.268 -2.997 4.765) 6.509 17.129 ( 1.293 -0.509 -0.577) 1.505 18.232 ( 1.058 -0.720 0.544) 1.391 18.282 ( -0.908 -0.814 0.038) 1.220 18.458 ( -1.587 -6.662 5.516) 8.793 18.493 ( 0.737 -2.058 1.016) 2.411 18.684 ( 0.094 0.858 0.889) 1.239 18.742 ( -0.080 2.494 0.607) 2.568 18.849 ( -1.424 -0.898 4.418) 4.728 18.948 ( 0.062 -0.457 -1.293) 1.373 19.008 ( -0.393 -0.910 1.253) 1.598 19.088 ( -2.962 -2.648 2.186) 4.535 19.377 ( -2.473 0.816 -0.135) 2.608 19.400 ( -2.178 0.597 0.376) 2.289 19.588 ( -1.651 2.601 0.724) 3.165 19.719 ( -1.055 0.755 0.830) 1.540 19.865 ( -3.721 6.793 -8.245) 11.313 19.939 ( 0.748 1.474 -2.842) 3.288 20.609 ( 3.655 -8.673 2.545) 9.750 20.670 ( -5.751 -8.924 4.835) 11.665 20.927 ( 1.473 0.732 0.048) 1.646 21.125 ( 0.630 -5.439 -4.738) 7.241 21.391 ( 4.459 5.043 -1.541) 6.906 21.427 ( -0.573 2.346 -0.528) 2.472 21.607 ( 0.935 1.694 -0.958) 2.159 21.654 ( -12.068 1.295 -2.075) 12.314 21.812 ( -1.078 0.647 1.582) 2.021 21.866 ( 1.109 -0.185 0.851) 1.410 21.907 ( 1.348 -2.689 0.011) 3.008 21.949 ( 0.384 -0.617 -1.842) 1.981 22.008 ( 0.825 2.224 -0.172) 2.378 22.052 ( 6.383 1.712 -1.981) 6.899 22.141 ( -1.630 0.261 1.934) 2.543 22.211 ( -1.494 0.193 -1.047) 1.835 ======================= Grid point 56 (24/64) ======================= q-point: ( 0.17 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.774 ( 14.025 1.814 14.987) 20.606 1.027 ( 17.794 13.721 16.123) 27.656 1.354 ( 3.806 -5.141 9.600) 11.536 1.557 ( 16.062 -0.967 10.119) 19.008 1.584 ( -2.468 4.828 9.141) 10.628 1.689 ( -1.514 -0.357 -0.289) 1.582 1.853 ( 2.036 7.188 -4.253) 8.597 1.967 ( -2.109 -2.145 6.089) 6.791 2.053 ( 4.156 2.701 4.171) 6.478 2.232 ( -1.325 5.983 2.125) 6.486 2.303 ( -0.709 -4.524 -6.564) 8.003 2.326 ( -4.327 -0.638 1.511) 4.628 2.345 ( 4.124 -0.168 -2.236) 4.694 2.461 ( 1.400 -2.103 -3.876) 4.627 2.493 ( 2.100 1.988 4.173) 5.077 2.584 ( 0.882 -2.399 3.033) 3.967 2.751 ( -2.753 1.959 -2.061) 3.958 2.811 ( -3.940 -7.387 3.622) 9.122 2.909 ( -2.627 -4.463 2.078) 5.581 2.990 ( -3.800 -4.272 -2.835) 6.382 3.057 ( -2.352 1.651 -4.495) 5.334 3.148 ( -4.072 -2.076 -1.179) 4.720 3.173 ( -4.189 -0.768 -3.122) 5.281 3.201 ( -0.661 0.392 -2.569) 2.682 3.236 ( 0.248 0.731 0.476) 0.907 3.311 ( 1.930 1.674 -5.763) 6.304 3.357 ( -4.827 1.323 -5.014) 7.084 3.386 ( 1.727 6.499 2.614) 7.215 3.457 ( -2.295 -0.863 2.014) 3.173 3.520 ( -3.025 1.985 3.188) 4.822 3.584 ( 5.423 -1.960 2.312) 6.212 3.603 ( 2.317 -0.964 -4.165) 4.863 3.659 ( 4.431 -1.676 -5.934) 7.593 3.754 ( -2.854 -0.438 2.419) 3.767 3.779 ( -3.048 0.655 -0.807) 3.221 3.895 ( 3.387 -1.857 -7.626) 8.548 3.921 ( 6.617 -0.970 0.430) 6.702 3.992 ( -5.685 -2.389 -6.216) 8.756 4.031 ( 1.520 3.863 0.933) 4.255 4.146 ( -2.703 -4.380 0.609) 5.182 4.224 ( 1.810 -3.469 -1.752) 4.287 4.235 ( 2.611 -0.234 4.181) 4.935 4.307 ( 3.194 -0.544 5.002) 5.960 4.353 ( -1.479 0.157 -0.307) 1.519 4.472 ( -2.970 3.996 -2.626) 5.629 4.522 ( 3.214 -0.613 -7.158) 7.870 4.717 ( -2.874 -2.811 -3.190) 5.132 4.808 ( -10.664 -1.314 -1.814) 10.896 4.889 ( -1.856 5.459 -4.061) 7.053 4.919 ( -2.564 -8.259 -3.206) 9.223 4.968 ( -1.694 2.102 -2.743) 3.849 5.099 ( -0.131 -5.498 7.068) 8.956 5.128 ( -3.310 -8.251 2.131) 9.142 5.230 ( -4.696 1.580 -5.018) 7.052 5.308 ( 1.582 2.960 3.237) 4.662 5.396 ( 3.440 -1.229 0.930) 3.770 5.520 ( -3.820 0.696 -2.380) 4.554 5.556 ( 2.479 -0.804 0.426) 2.641 5.683 ( 2.426 1.750 -3.612) 4.690 5.781 ( -1.007 1.386 0.310) 1.741 5.829 ( 1.387 -6.932 0.702) 7.105 5.952 ( 1.396 -6.146 -0.277) 6.309 6.009 ( -2.403 -6.578 3.008) 7.622 6.051 ( 3.301 -7.254 2.808) 8.450 6.103 ( -5.773 -0.185 2.249) 6.198 6.191 ( 1.296 2.269 4.811) 5.475 6.303 ( -1.525 -4.293 -0.064) 4.556 6.417 ( 1.337 5.258 0.942) 5.507 6.475 ( -1.931 -0.655 -3.469) 4.024 6.541 ( -0.635 1.648 -2.719) 3.242 6.631 ( 1.522 -3.118 4.605) 5.766 6.739 ( 1.930 -3.080 1.481) 3.925 6.749 ( -3.334 6.736 4.700) 8.865 6.865 ( 0.424 1.620 -4.104) 4.432 7.083 ( 0.509 -1.352 0.862) 1.683 7.130 ( 1.051 -5.496 1.432) 5.775 7.158 ( 0.138 -6.234 -0.680) 6.273 7.185 ( -0.055 2.922 1.111) 3.127 7.277 ( 1.132 -1.228 5.763) 6.000 7.383 ( -0.100 4.021 -1.460) 4.279 7.408 ( -1.557 3.351 1.926) 4.167 7.445 ( 0.231 6.042 2.928) 6.718 7.482 ( 0.557 2.465 -0.288) 2.544 7.683 ( 5.198 3.374 0.383) 6.209 7.692 ( -0.341 -0.073 6.664) 6.673 7.815 ( -3.673 3.066 -3.550) 5.958 7.885 ( -2.915 3.762 -0.915) 4.846 7.990 ( -1.979 2.458 0.694) 3.231 8.054 ( 3.579 -4.281 -1.109) 5.689 8.247 ( 2.442 0.619 -3.000) 3.918 8.314 ( -2.117 2.313 -4.632) 5.593 8.450 ( 8.653 -0.363 -2.806) 9.104 8.537 ( 2.960 2.295 -0.007) 3.746 8.591 ( -2.020 1.882 -1.773) 3.281 8.713 ( 0.598 -0.264 3.819) 3.874 8.930 ( 0.609 -5.936 -1.999) 6.293 9.227 ( -0.547 0.303 -8.859) 8.881 9.388 ( 6.852 10.063 3.481) 12.662 9.573 ( 7.929 0.839 0.347) 7.981 9.917 ( 2.527 -1.586 1.167) 3.204 10.063 ( 0.871 5.155 2.333) 5.724 10.328 ( 2.128 -0.156 -0.503) 2.192 10.370 ( 1.443 -1.575 5.159) 5.584 10.502 ( -1.116 -0.899 -4.949) 5.152 12.907 ( -1.780 0.593 -0.853) 2.061 13.014 ( -2.403 4.379 -1.387) 5.184 13.063 ( 0.689 -2.821 0.237) 2.913 13.152 ( -1.314 0.530 2.231) 2.643 13.256 ( -1.464 1.419 -0.321) 2.064 13.270 ( -1.753 1.653 1.881) 3.057 13.363 ( -2.275 -0.132 -0.038) 2.279 13.437 ( -1.436 0.053 -0.715) 1.605 13.942 ( 3.784 2.126 0.120) 4.342 14.032 ( 3.540 -0.204 -2.850) 4.549 14.250 ( -1.906 2.494 3.218) 4.495 14.303 ( -0.333 -0.351 2.941) 2.981 14.411 ( -1.216 1.013 -0.297) 1.611 14.597 ( 2.054 -2.167 -3.430) 4.547 14.693 ( 2.421 0.823 0.136) 2.561 14.706 ( 0.223 -2.305 -1.620) 2.826 14.800 ( -0.480 0.580 -2.834) 2.932 14.876 ( -0.794 1.080 -1.740) 2.196 14.940 ( -4.036 1.914 -0.539) 4.500 15.101 ( -1.126 -6.893 1.150) 7.079 15.247 ( -1.171 1.304 2.558) 3.101 15.347 ( -0.319 3.816 -1.204) 4.014 15.430 ( -4.384 2.143 -0.713) 4.931 15.526 ( -5.273 6.055 -0.819) 8.071 15.753 ( 2.830 -3.807 0.722) 4.798 15.942 ( 6.923 1.510 1.345) 7.212 16.076 ( 10.906 -3.455 7.647) 13.761 16.362 ( -0.227 -6.517 -7.534) 9.964 16.623 ( -8.431 -2.892 0.077) 8.914 16.852 ( -7.098 0.044 7.753) 10.512 17.017 ( 2.437 -3.040 -1.515) 4.180 17.096 ( -3.192 -0.292 -0.134) 3.208 18.251 ( -0.257 -0.989 1.738) 2.016 18.254 ( -1.109 -1.595 0.730) 2.075 18.370 ( -4.861 -1.302 4.804) 6.958 18.492 ( -1.391 -0.331 1.479) 2.057 18.677 ( 0.050 0.264 0.655) 0.708 18.735 ( 0.021 1.304 -0.152) 1.313 18.809 ( 0.182 1.499 4.132) 4.399 18.985 ( -0.454 2.093 -0.443) 2.187 19.027 ( 2.457 -0.453 -0.762) 2.612 19.107 ( 3.722 -3.253 -0.447) 4.963 19.282 ( -1.698 1.250 -2.306) 3.125 19.417 ( 1.079 2.495 -3.572) 4.489 19.575 ( 0.720 2.445 -1.339) 2.878 19.682 ( -2.832 0.975 0.713) 3.079 19.901 ( 5.846 5.144 -3.696) 8.620 19.975 ( 2.513 0.130 0.423) 2.552 20.574 ( -3.505 -3.878 2.939) 5.997 20.634 ( -1.254 -5.324 1.614) 5.703 20.913 ( -2.805 -0.559 0.639) 2.930 21.083 ( -3.625 -6.852 -3.606) 8.550 21.350 ( -3.170 3.712 -2.406) 5.442 21.423 ( -3.178 2.211 1.430) 4.127 21.489 ( -2.402 0.737 2.289) 3.399 21.555 ( -4.388 0.553 0.049) 4.423 21.824 ( 2.406 0.471 1.448) 2.847 21.859 ( -0.241 -0.282 1.432) 1.479 21.936 ( 0.834 -0.979 -0.864) 1.549 21.955 ( 0.136 0.241 -1.382) 1.410 22.050 ( 3.154 1.037 -1.364) 3.589 22.082 ( 1.885 1.847 -0.758) 2.745 22.232 ( 4.787 -0.411 0.769) 4.866 22.335 ( 8.006 -2.287 -3.735) 9.125 ======================= Grid point 57 (25/64) ======================= q-point: ( 0.33 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( 19.092 -6.649 5.238) 20.884 1.394 ( 8.662 4.675 12.330) 15.777 1.465 ( 13.148 4.944 -1.139) 14.093 1.613 ( 2.235 -0.441 0.906) 2.452 1.670 ( 0.638 -0.773 -3.632) 3.768 1.790 ( 1.180 -9.049 5.189) 10.498 1.828 ( -1.581 3.085 3.444) 4.887 1.990 ( 1.964 -3.527 5.586) 6.892 2.100 ( -4.885 -3.500 -3.850) 7.137 2.138 ( -1.594 4.930 3.293) 6.139 2.236 ( -0.609 -0.759 4.200) 4.311 2.317 ( 0.015 -5.329 -5.698) 7.802 2.436 ( 2.736 -0.448 -2.552) 3.768 2.533 ( 3.551 -2.593 -0.674) 4.448 2.569 ( 1.304 -3.219 3.055) 4.626 2.607 ( 2.390 -3.257 2.533) 4.769 2.714 ( 5.040 6.881 1.140) 8.605 2.765 ( 0.494 -0.654 -3.510) 3.604 2.855 ( -3.928 -1.010 3.602) 5.424 2.909 ( -5.868 -3.402 4.549) 8.167 2.961 ( -6.104 -1.744 -1.270) 6.474 3.049 ( -4.727 -2.934 -1.897) 5.878 3.085 ( 0.197 -0.377 0.477) 0.639 3.140 ( -7.510 -4.633 1.489) 8.949 3.264 ( 2.243 3.466 -4.661) 6.226 3.299 ( -0.732 0.313 -1.431) 1.638 3.322 ( -1.052 1.450 0.592) 1.887 3.412 ( 3.216 -1.650 5.476) 6.562 3.452 ( -0.935 2.231 -3.181) 3.997 3.528 ( 4.600 5.283 3.584) 7.869 3.595 ( -1.948 -1.798 -0.033) 2.651 3.669 ( 1.828 -0.272 -3.702) 4.138 3.676 ( -5.938 -1.308 6.691) 9.041 3.764 ( 1.372 1.732 0.796) 2.348 3.801 ( 8.254 1.739 -7.790) 11.482 3.877 ( -2.760 -0.014 -2.678) 3.846 3.933 ( -1.145 0.179 -2.450) 2.710 4.019 ( -1.343 4.674 -0.641) 4.905 4.056 ( -0.025 -0.167 -4.560) 4.563 4.073 ( 0.413 4.597 1.445) 4.837 4.171 ( -4.402 -2.110 -1.133) 5.011 4.291 ( -2.744 1.403 -1.907) 3.624 4.336 ( 2.263 -3.307 1.018) 4.135 4.353 ( 4.223 -6.325 4.721) 8.952 4.449 ( -2.298 -0.202 -3.166) 3.918 4.570 ( -3.263 -0.250 0.007) 3.272 4.635 ( -3.988 -0.294 0.771) 4.072 4.661 ( 5.576 0.387 -7.150) 9.075 4.762 ( -6.859 0.228 -7.736) 10.342 4.880 ( -3.286 -0.392 -4.593) 5.662 4.973 ( 3.886 -4.082 -0.084) 5.637 5.054 ( -2.566 0.759 1.409) 3.024 5.160 ( 2.223 -6.092 -2.367) 6.903 5.168 ( -0.058 1.006 0.172) 1.022 5.355 ( 1.226 0.894 3.772) 4.065 5.434 ( -3.091 0.513 0.808) 3.235 5.488 ( 3.141 0.843 -2.344) 4.009 5.567 ( -1.407 1.425 -6.918) 7.202 5.685 ( -1.141 -0.560 -0.301) 1.306 5.759 ( -0.819 -1.926 2.695) 3.412 5.867 ( -4.350 -1.851 -1.647) 5.006 5.876 ( -1.266 -5.638 -0.920) 5.851 5.965 ( -5.096 -2.757 -3.991) 7.036 6.040 ( 4.064 -7.637 3.368) 9.284 6.137 ( 2.886 -6.015 0.312) 6.679 6.250 ( 3.009 0.475 8.613) 9.136 6.313 ( 1.519 -1.948 5.644) 6.161 6.401 ( -2.659 -3.233 -6.970) 8.130 6.467 ( 1.977 1.211 0.548) 2.382 6.528 ( 0.146 -0.829 -2.565) 2.700 6.605 ( -3.411 1.584 6.627) 7.620 6.719 ( 0.378 -2.263 6.709) 7.091 6.834 ( 4.123 -0.040 2.000) 4.582 6.872 ( 2.294 -0.386 -0.955) 2.515 7.022 ( -4.109 -0.945 -0.459) 4.241 7.107 ( -3.683 -2.186 2.811) 5.123 7.163 ( -0.702 -5.132 0.491) 5.203 7.241 ( 3.138 3.845 2.686) 5.643 7.300 ( 0.906 -1.334 1.334) 2.092 7.361 ( -1.954 3.422 -0.518) 3.975 7.415 ( 2.246 2.495 -1.656) 3.744 7.472 ( 1.877 4.578 5.274) 7.232 7.489 ( -0.697 2.757 -0.809) 2.956 7.622 ( -3.877 3.620 5.488) 7.632 7.646 ( -5.902 6.530 -1.073) 8.867 7.827 ( 1.607 1.770 -5.221) 5.742 7.940 ( 5.572 1.508 1.026) 5.862 8.006 ( 2.730 0.200 2.156) 3.484 8.088 ( -0.770 -4.461 -0.247) 4.534 8.214 ( -1.685 0.031 -0.330) 1.717 8.269 ( -0.769 1.966 -4.676) 5.131 8.488 ( -5.892 0.933 2.321) 6.401 8.562 ( 1.140 1.056 -7.651) 7.807 8.654 ( 6.062 2.319 -0.804) 6.540 8.767 ( 4.224 2.512 0.179) 4.918 9.001 ( 4.019 -2.856 0.918) 5.015 9.228 ( 3.391 1.997 -11.765) 12.405 9.550 ( 7.728 4.910 4.289) 10.110 9.722 ( 4.139 4.049 3.131) 6.583 9.879 ( -5.698 1.979 -5.085) 7.889 10.074 ( 1.926 1.204 -0.752) 2.392 10.386 ( -0.778 -1.837 -1.783) 2.676 10.407 ( 2.721 -4.588 7.995) 9.611 10.516 ( 4.148 -1.236 0.099) 4.330 12.869 ( -2.286 1.725 0.862) 2.991 12.964 ( -0.488 3.118 -2.102) 3.792 13.088 ( 0.781 -3.637 0.138) 3.722 13.162 ( 1.284 -2.434 0.628) 2.823 13.215 ( -3.439 1.440 2.335) 4.399 13.235 ( -0.173 1.548 0.011) 1.558 13.310 ( -2.243 1.746 -0.402) 2.870 13.382 ( -3.324 -0.430 -1.256) 3.580 14.037 ( 5.155 -0.022 -0.664) 5.197 14.134 ( 5.963 0.645 -0.584) 6.026 14.221 ( -1.012 3.774 2.714) 4.757 14.285 ( -2.431 -0.045 2.756) 3.675 14.386 ( -0.988 4.370 1.761) 4.814 14.650 ( 3.167 -3.692 -1.431) 5.071 14.677 ( -1.903 -2.577 -0.482) 3.239 14.731 ( -2.431 1.098 -2.367) 3.566 14.766 ( 1.235 -0.773 -4.205) 4.450 14.847 ( -0.939 1.687 -2.459) 3.126 14.908 ( -0.032 5.744 1.163) 5.861 15.089 ( -0.215 -6.273 1.423) 6.436 15.205 ( -2.567 1.556 -0.640) 3.069 15.334 ( -2.973 4.150 -0.182) 5.109 15.341 ( -1.187 3.299 1.178) 3.698 15.419 ( -4.844 4.798 0.215) 6.821 15.823 ( 2.080 -2.017 -2.526) 3.844 16.029 ( 0.635 -0.727 -3.423) 3.556 16.272 ( 7.340 -5.120 6.119) 10.841 16.395 ( 3.046 -3.199 1.102) 4.552 16.514 ( -0.403 -2.145 -0.158) 2.188 16.715 ( -6.091 4.467 5.933) 9.605 16.902 ( -8.474 -3.991 3.373) 9.955 17.038 ( -4.263 1.145 -0.743) 4.476 18.221 ( -1.081 -1.350 1.078) 2.038 18.261 ( 0.292 -1.433 0.832) 1.682 18.338 ( 0.453 1.374 -0.645) 1.584 18.462 ( -1.447 1.595 0.321) 2.177 18.685 ( 0.160 -0.816 0.101) 0.838 18.761 ( 2.150 -0.109 0.871) 2.322 18.846 ( 2.542 3.627 2.696) 5.185 18.972 ( -0.597 3.229 -1.453) 3.591 19.052 ( 0.403 -0.248 0.403) 0.621 19.126 ( -1.452 -0.364 -0.260) 1.520 19.245 ( -2.342 -1.482 1.327) 3.073 19.448 ( 1.680 -2.181 -6.377) 6.946 19.619 ( 3.133 0.437 -2.048) 3.768 19.647 ( 0.047 0.756 -2.748) 2.851 19.967 ( 1.120 -1.226 1.913) 2.533 20.050 ( 3.664 1.416 0.216) 3.934 20.549 ( 0.422 0.584 0.294) 0.778 20.604 ( -1.158 -2.297 2.719) 3.743 20.820 ( -5.161 -1.574 -0.869) 5.465 21.020 ( -2.327 -7.364 -1.201) 7.816 21.326 ( 0.216 -0.517 -1.571) 1.668 21.365 ( -2.153 0.571 0.573) 2.300 21.434 ( -2.979 0.159 0.126) 2.986 21.473 ( -3.533 0.615 0.887) 3.694 21.865 ( 0.742 -0.413 0.816) 1.178 21.890 ( 2.288 -0.829 2.296) 3.345 21.932 ( -0.420 0.855 -0.601) 1.126 21.966 ( 1.051 0.844 0.183) 1.360 22.117 ( 3.234 0.506 -2.476) 4.104 22.133 ( 2.681 1.019 -1.894) 3.437 22.323 ( 3.486 0.208 1.481) 3.793 22.420 ( 1.731 -1.194 -1.658) 2.678 ======================= Grid point 58 (26/64) ======================= q-point: (-0.50 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( -12.007 -1.720 -0.101) 12.130 1.464 ( -4.644 3.860 -3.046) 6.763 1.524 ( -1.028 1.090 0.790) 1.693 1.643 ( 8.127 -2.871 5.359) 10.150 1.720 ( 1.366 0.333 3.789) 4.041 1.895 ( 10.956 -5.379 2.936) 12.554 1.947 ( 3.924 -0.287 6.272) 7.404 1.972 ( -0.060 -2.393 -1.125) 2.645 2.043 ( 2.564 -3.705 1.440) 4.730 2.136 ( -1.425 -6.884 1.796) 7.256 2.193 ( -2.532 -6.476 4.103) 8.074 2.318 ( 2.150 0.534 -6.620) 6.981 2.463 ( -1.526 -1.973 0.313) 2.513 2.546 ( -7.081 5.113 -1.516) 8.865 2.570 ( 1.586 -6.159 -3.157) 7.100 2.593 ( 0.109 -4.066 -2.537) 4.794 2.680 ( -7.837 3.852 5.916) 10.548 2.809 ( -1.293 -3.817 4.143) 5.780 2.824 ( -0.444 -4.594 -5.533) 7.205 2.885 ( -0.146 -5.711 1.643) 5.944 2.927 ( 3.789 -1.272 3.689) 5.439 2.985 ( -1.232 3.589 -0.508) 3.829 3.028 ( 1.458 0.588 -0.450) 1.635 3.162 ( 4.904 -2.963 5.026) 7.621 3.248 ( -2.126 0.593 -1.769) 2.828 3.288 ( -1.350 -3.485 2.565) 4.533 3.313 ( 2.017 3.122 -5.302) 6.475 3.449 ( -3.030 -0.771 1.852) 3.634 3.460 ( -1.775 4.783 -5.583) 7.563 3.535 ( -2.266 1.538 1.304) 3.034 3.559 ( 2.342 -2.095 4.819) 5.753 3.626 ( 3.273 4.294 3.570) 6.472 3.735 ( -9.267 1.600 4.415) 10.389 3.761 ( 4.366 -0.552 2.751) 5.189 3.791 ( -1.221 4.956 0.969) 5.195 3.869 ( -3.265 -2.772 -7.261) 8.430 3.927 ( 2.805 4.103 1.679) 5.246 3.950 ( 0.869 4.191 -1.792) 4.641 4.079 ( 3.243 8.117 4.410) 9.790 4.099 ( 0.668 2.751 -5.591) 6.267 4.173 ( 3.577 -4.739 -5.202) 7.894 4.277 ( 3.409 0.654 -1.346) 3.723 4.345 ( -0.984 -1.724 0.031) 1.985 4.380 ( -5.075 0.079 -1.402) 5.265 4.471 ( 2.197 0.329 -0.881) 2.390 4.520 ( 4.787 -1.995 5.001) 7.205 4.572 ( -5.843 -3.771 -8.050) 10.638 4.675 ( 1.817 -3.257 -1.629) 4.070 4.793 ( 3.971 -1.696 -2.997) 5.256 4.838 ( -0.000 0.082 -1.951) 1.953 5.006 ( -0.639 -6.101 -3.693) 7.160 5.073 ( 4.109 -0.513 -2.375) 4.774 5.159 ( 0.227 -0.515 -2.279) 2.347 5.209 ( 1.024 -1.712 0.255) 2.012 5.299 ( -6.048 -0.134 -0.400) 6.062 5.391 ( -2.107 1.805 -0.155) 2.778 5.528 ( 0.897 3.814 -13.113) 13.685 5.553 ( 3.956 1.814 -1.636) 4.649 5.651 ( -3.327 -3.483 4.994) 6.939 5.746 ( -2.709 -3.603 -0.197) 4.512 5.761 ( 0.793 -2.411 0.657) 2.621 5.880 ( -1.457 -1.386 -5.196) 5.571 5.901 ( 0.213 -0.213 0.960) 1.006 6.104 ( -0.093 -7.626 -0.863) 7.676 6.186 ( 1.740 -7.611 2.865) 8.317 6.281 ( -3.215 -5.805 3.727) 7.611 6.314 ( 1.834 1.320 8.181) 8.487 6.414 ( 2.272 -1.469 2.364) 3.593 6.504 ( 1.757 -3.362 -5.655) 6.810 6.529 ( 0.523 2.779 7.572) 8.083 6.609 ( 3.455 0.429 0.015) 3.481 6.757 ( 1.709 -5.271 7.200) 9.085 6.839 ( -2.246 0.689 5.486) 5.968 6.907 ( -3.681 1.277 -5.234) 6.525 6.988 ( 2.341 1.270 1.002) 2.845 7.028 ( -3.096 -0.834 4.769) 5.746 7.156 ( -0.632 -4.742 1.860) 5.133 7.256 ( -0.409 -0.312 0.889) 1.027 7.303 ( -3.016 0.213 -1.961) 3.604 7.356 ( 2.231 4.293 -1.994) 5.233 7.399 ( -4.058 2.315 -0.733) 4.729 7.464 ( 2.403 4.701 -2.319) 5.766 7.511 ( -2.635 3.118 2.825) 4.965 7.570 ( 0.723 5.984 1.007) 6.111 7.599 ( -0.117 2.067 7.935) 8.201 7.844 ( 0.817 2.384 -5.564) 6.108 7.986 ( -1.798 2.377 0.163) 2.985 8.039 ( -1.226 -3.406 5.300) 6.418 8.055 ( -0.010 0.792 -4.194) 4.268 8.217 ( 2.321 -0.363 -0.601) 2.425 8.267 ( -3.407 3.058 -5.650) 7.272 8.403 ( 1.649 -7.100 2.187) 7.610 8.560 ( -0.244 5.128 -5.696) 7.668 8.757 ( 4.166 -0.833 1.794) 4.612 8.820 ( 0.465 2.958 -0.842) 3.111 9.027 ( -0.039 1.175 -4.808) 4.950 9.344 ( 6.711 3.719 -4.458) 8.874 9.572 ( -7.127 2.395 -2.339) 7.874 9.723 ( -3.819 5.091 5.664) 8.519 9.846 ( 5.477 5.789 -0.120) 7.970 10.135 ( 3.509 -2.375 -2.726) 5.039 10.319 ( -3.741 0.214 -6.088) 7.149 10.466 ( 1.569 -9.127 9.779) 13.468 10.618 ( 4.239 -2.116 4.162) 6.306 12.835 ( -0.714 2.544 1.270) 2.932 12.985 ( 2.080 2.217 -3.555) 4.678 13.095 ( 0.010 -4.083 0.757) 4.153 13.116 ( -3.535 -0.103 1.438) 3.818 13.230 ( 1.283 -0.957 0.462) 1.666 13.239 ( 0.794 1.692 0.013) 1.869 13.282 ( -0.807 0.416 0.256) 0.943 13.336 ( 0.231 -0.057 -0.897) 0.928 14.124 ( 2.764 1.027 -0.717) 3.034 14.182 ( -2.589 -1.214 -0.274) 2.873 14.216 ( -2.203 1.221 2.572) 3.600 14.260 ( 3.675 3.245 0.933) 4.991 14.369 ( -1.798 4.472 4.121) 6.342 14.612 ( -2.557 -1.721 -0.139) 3.085 14.711 ( 1.502 -1.825 -0.928) 2.539 14.724 ( 2.382 -1.196 -1.873) 3.258 14.783 ( 0.776 1.558 -4.491) 4.817 14.839 ( 0.472 2.899 -1.718) 3.403 14.915 ( 0.633 4.663 1.723) 5.011 15.069 ( -2.151 -4.199 0.034) 4.718 15.188 ( 1.374 -0.102 0.617) 1.510 15.280 ( -1.186 1.513 -1.003) 2.168 15.331 ( -3.348 4.931 -0.136) 5.961 15.364 ( 1.775 5.653 0.778) 5.976 15.809 ( -2.341 0.979 -4.831) 5.457 15.964 ( -4.939 -0.893 -7.892) 9.353 16.354 ( -1.716 -1.997 8.827) 9.211 16.382 ( -5.834 -2.789 4.186) 7.703 16.604 ( 7.796 -3.603 -0.500) 8.603 16.681 ( 1.118 0.573 2.322) 2.640 16.770 ( -3.849 -2.044 4.376) 6.176 16.973 ( -0.150 2.101 -1.330) 2.491 18.209 ( -0.299 -0.910 -0.298) 1.003 18.272 ( 0.632 -2.121 1.092) 2.468 18.365 ( 2.251 1.053 -0.764) 2.600 18.440 ( -0.662 1.755 0.008) 1.875 18.685 ( -0.040 -0.280 0.711) 0.766 18.796 ( 0.846 -0.281 1.239) 1.526 18.884 ( -0.256 5.202 0.871) 5.281 18.982 ( 2.744 2.783 0.465) 3.936 19.047 ( -0.767 -0.460 -0.279) 0.936 19.082 ( -2.260 -0.170 1.193) 2.562 19.208 ( -1.402 -0.200 -0.726) 1.591 19.461 ( 0.828 -2.749 -4.092) 4.999 19.612 ( -1.447 0.307 -0.176) 1.490 19.719 ( 4.842 -1.595 -6.359) 8.150 19.981 ( 0.067 -3.375 4.463) 5.595 20.086 ( 0.041 0.008 -0.035) 0.054 20.568 ( -2.135 2.092 0.620) 3.053 20.577 ( 0.869 0.819 0.373) 1.252 20.789 ( 2.729 -3.540 1.954) 4.878 20.975 ( -1.764 -6.394 -2.448) 7.070 21.329 ( -1.833 -2.163 -0.761) 2.936 21.341 ( 1.666 -1.612 -0.971) 2.513 21.411 ( 0.416 0.935 0.579) 1.176 21.426 ( -0.420 1.374 0.254) 1.460 21.871 ( -0.271 -0.373 0.421) 0.624 21.888 ( -1.614 -1.323 -0.241) 2.101 21.951 ( 1.138 0.875 1.823) 2.320 21.987 ( 0.727 1.140 1.443) 1.977 22.149 ( 0.148 0.619 -2.421) 2.503 22.168 ( 0.641 0.627 -2.572) 2.724 22.360 ( -0.107 0.340 1.497) 1.539 22.431 ( 0.024 -0.642 -0.427) 0.771 ======================= Grid point 59 (27/64) ======================= q-point: (-0.33 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( -17.197 2.154 4.539) 17.916 1.102 ( -20.639 5.787 4.148) 21.833 1.618 ( -0.530 -1.902 7.037) 7.309 1.690 ( -1.455 -0.954 2.216) 2.817 1.757 ( -8.664 -5.763 2.537) 10.710 1.826 ( -1.849 -2.549 6.241) 6.991 1.973 ( -3.692 3.521 0.441) 5.121 2.052 ( -0.719 -2.068 -0.039) 2.190 2.097 ( -3.936 -7.501 8.287) 11.850 2.123 ( -3.916 2.853 -2.640) 5.518 2.239 ( 7.572 -2.677 2.177) 8.322 2.320 ( -4.101 7.546 6.734) 10.914 2.342 ( 3.990 -0.065 -10.395) 11.135 2.473 ( 2.614 6.085 -0.385) 6.634 2.584 ( -0.058 -3.094 -0.260) 3.105 2.612 ( 2.904 -5.813 -5.934) 8.800 2.679 ( 2.399 -6.862 1.304) 7.386 2.731 ( -1.965 -6.334 -1.120) 6.725 2.847 ( 1.605 -4.991 8.213) 9.743 2.854 ( -2.246 -0.116 -1.870) 2.925 2.973 ( 3.658 1.930 -2.321) 4.742 3.019 ( 0.944 -7.033 -0.281) 7.101 3.153 ( 7.072 1.678 2.419) 7.660 3.196 ( 0.311 0.210 2.255) 2.286 3.246 ( 1.114 3.119 -2.381) 4.079 3.266 ( 0.714 -3.453 -0.750) 3.605 3.360 ( 1.079 -0.294 2.468) 2.710 3.385 ( 0.182 6.768 -2.840) 7.342 3.479 ( 1.781 -2.091 -2.391) 3.642 3.498 ( -1.575 0.287 3.468) 3.820 3.571 ( -3.262 -5.838 0.732) 6.728 3.633 ( 1.406 5.465 -3.054) 6.416 3.679 ( 1.694 0.196 -1.182) 2.075 3.741 ( -2.351 -0.006 -1.287) 2.680 3.846 ( 2.164 -1.175 1.054) 2.679 3.853 ( 1.100 -1.209 1.379) 2.139 3.923 ( -0.224 8.379 0.339) 8.389 4.003 ( 2.275 -0.922 -0.147) 2.459 4.070 ( -2.973 1.996 -3.845) 5.254 4.111 ( -1.224 2.869 -2.321) 3.888 4.211 ( -4.951 0.340 -5.879) 7.694 4.295 ( -1.061 4.579 1.057) 4.818 4.307 ( 6.813 -2.151 3.534) 7.970 4.408 ( -4.095 -4.635 -2.127) 6.540 4.499 ( 4.161 -2.099 2.071) 5.100 4.552 ( 6.490 3.181 -0.658) 7.258 4.645 ( 2.520 -2.640 -1.950) 4.138 4.722 ( 6.656 -0.253 -5.247) 8.480 4.791 ( -1.214 -4.245 -3.698) 5.759 4.869 ( 1.686 0.980 -2.330) 3.038 5.009 ( 1.413 -1.402 0.721) 2.117 5.077 ( -2.884 -2.406 -0.408) 3.778 5.140 ( -1.413 -4.841 -3.371) 6.066 5.192 ( -1.725 -2.498 -0.322) 3.052 5.258 ( 1.464 2.903 -2.184) 3.917 5.359 ( -0.361 -0.282 -0.635) 0.784 5.539 ( -0.863 -4.489 2.153) 5.053 5.609 ( 2.787 0.970 -5.688) 6.408 5.624 ( 1.039 0.338 2.197) 2.454 5.761 ( 1.522 -4.627 -2.003) 5.266 5.791 ( 2.352 -1.901 -6.363) 7.045 5.875 ( 2.080 -0.012 -1.201) 2.402 5.927 ( 2.742 2.402 6.094) 7.101 6.034 ( -4.825 -7.245 -3.075) 9.232 6.154 ( -3.497 -5.938 4.666) 8.322 6.266 ( -1.119 -3.764 5.338) 6.627 6.375 ( 2.229 0.499 6.875) 7.244 6.464 ( 2.638 -0.207 3.440) 4.340 6.511 ( 1.455 -1.553 -6.293) 6.643 6.587 ( 1.776 1.029 4.345) 4.805 6.626 ( -4.759 2.355 1.423) 5.498 6.759 ( -1.253 -7.340 1.648) 7.626 6.821 ( 0.819 -0.702 0.650) 1.259 6.840 ( -0.771 4.723 -1.630) 5.056 6.981 ( -0.202 1.445 9.717) 9.826 7.034 ( -1.545 3.484 2.083) 4.343 7.126 ( -0.736 -6.092 -0.402) 6.150 7.237 ( -2.314 -1.476 -1.828) 3.298 7.251 ( -0.589 -2.196 -1.230) 2.585 7.355 ( 1.668 2.484 1.529) 3.360 7.387 ( -0.859 5.231 -2.959) 6.071 7.452 ( -2.617 1.773 -2.015) 3.749 7.543 ( 5.335 5.567 -1.422) 7.840 7.583 ( 0.198 5.133 4.289) 6.692 7.613 ( -0.429 2.382 8.480) 8.819 7.809 ( -4.342 1.387 -6.266) 7.749 7.940 ( -1.574 4.161 -0.640) 4.495 7.984 ( -3.250 -0.415 2.116) 3.900 8.085 ( 1.672 -1.892 -1.124) 2.764 8.146 ( -2.505 -2.471 -1.967) 4.031 8.307 ( 4.033 1.279 -2.651) 4.993 8.479 ( 3.136 -6.728 -1.369) 7.548 8.521 ( -3.517 7.090 -4.553) 9.130 8.762 ( -3.561 1.078 1.722) 4.100 8.856 ( 2.920 -2.696 2.465) 4.677 9.013 ( -0.970 1.925 -2.648) 3.414 9.276 ( -9.934 4.662 -7.162) 13.104 9.565 ( 5.886 5.801 0.766) 8.299 9.617 ( -6.530 3.507 3.494) 8.194 9.945 ( 2.052 2.195 -2.303) 3.786 10.181 ( 2.384 -2.459 -2.631) 4.318 10.284 ( 1.350 3.492 -2.774) 4.660 10.474 ( -2.935 -15.728 8.917) 18.317 10.681 ( 1.303 -4.429 3.301) 5.675 12.856 ( 2.947 2.705 0.184) 4.005 12.988 ( -1.645 1.821 -1.900) 3.103 13.084 ( -0.453 -3.369 0.434) 3.427 13.107 ( 1.937 0.149 0.042) 1.944 13.233 ( 0.301 1.347 2.874) 3.188 13.251 ( 0.531 0.604 0.557) 0.979 13.294 ( 1.489 1.248 -1.003) 2.186 13.379 ( 2.677 -0.719 -1.436) 3.122 14.054 ( -6.045 1.225 -0.456) 6.185 14.162 ( -2.469 3.199 -0.038) 4.041 14.231 ( 3.649 0.873 0.643) 3.807 14.282 ( -1.414 -0.413 5.589) 5.780 14.357 ( 0.294 1.877 -0.027) 1.900 14.583 ( -0.520 -3.547 -1.192) 3.778 14.704 ( -1.491 1.718 0.237) 2.287 14.770 ( 1.761 0.265 -1.695) 2.459 14.790 ( -0.329 3.935 -5.943) 7.135 14.853 ( 0.804 4.064 -1.518) 4.412 14.946 ( 2.038 -0.777 3.542) 4.160 15.030 ( -1.128 -2.466 -0.482) 2.754 15.211 ( -0.683 1.169 2.284) 2.654 15.277 ( 0.944 0.879 -3.287) 3.531 15.328 ( 4.478 4.478 -0.318) 6.341 15.424 ( 4.322 4.364 0.204) 6.146 15.743 ( -3.334 1.420 -2.122) 4.199 15.867 ( -2.617 4.572 -6.551) 8.407 16.201 ( -10.995 -2.176 1.267) 11.279 16.243 ( -9.251 1.072 6.896) 11.588 16.611 ( -5.348 -4.527 1.152) 7.101 16.786 ( 8.256 -5.537 0.615) 9.960 16.832 ( 6.298 2.598 4.387) 8.103 17.026 ( 3.825 1.190 -0.871) 4.100 18.206 ( 0.122 -0.538 -0.706) 0.896 18.285 ( 0.388 -2.461 1.832) 3.092 18.413 ( 1.581 1.101 1.355) 2.355 18.444 ( 1.677 -0.357 -0.550) 1.800 18.686 ( -0.086 0.285 1.598) 1.626 18.787 ( -1.824 2.472 -0.263) 3.084 18.863 ( -1.123 3.026 3.460) 4.732 19.006 ( -1.337 0.544 0.241) 1.463 19.029 ( -1.273 -0.003 0.091) 1.277 19.106 ( 5.004 1.319 -0.386) 5.189 19.187 ( -0.057 -0.360 -2.822) 2.846 19.473 ( 0.648 -3.189 -2.596) 4.163 19.585 ( -0.814 1.244 -1.006) 1.795 19.797 ( 3.736 -2.179 -5.092) 6.681 19.968 ( -2.982 -3.526 4.278) 6.295 20.066 ( -1.300 -0.707 -0.267) 1.504 20.509 ( -1.600 -2.011 0.136) 2.573 20.646 ( 4.552 2.550 3.543) 6.307 20.850 ( 1.033 -5.377 0.006) 5.476 20.978 ( 3.480 -3.425 -2.723) 5.591 21.301 ( -0.663 -0.804 -1.228) 1.611 21.396 ( 3.898 -1.770 0.665) 4.333 21.408 ( 0.436 2.794 -0.367) 2.852 21.490 ( 5.254 0.280 0.814) 5.323 21.852 ( -1.521 -0.637 0.242) 1.667 21.861 ( -0.789 0.129 0.978) 1.263 21.959 ( -0.623 -0.061 1.110) 1.274 21.993 ( -0.367 0.697 1.165) 1.407 22.117 ( -2.922 1.091 -2.489) 3.990 22.139 ( -3.134 1.017 -2.439) 4.100 22.325 ( -3.438 -0.013 1.402) 3.713 22.423 ( -1.169 -1.954 -1.516) 2.735 ======================= Grid point 60 (28/64) ======================= q-point: (-0.17 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.674 ( -14.423 8.353 11.071) 20.009 0.792 ( -9.755 9.605 18.732) 23.202 1.394 ( -21.858 12.983 17.622) 30.933 1.533 ( -9.759 -1.763 6.798) 12.024 1.643 ( 0.021 -5.979 4.063) 7.229 1.805 ( -1.259 2.590 14.632) 14.912 1.909 ( -4.384 3.183 -7.263) 9.061 1.943 ( 0.176 5.388 0.093) 5.392 2.044 ( -4.092 -0.256 2.655) 4.885 2.164 ( 4.745 -3.052 -6.822) 8.853 2.300 ( 0.831 1.340 0.962) 1.847 2.348 ( 0.688 5.517 7.048) 8.977 2.402 ( -0.660 -4.711 -3.714) 6.035 2.505 ( -1.388 -1.727 2.098) 3.051 2.540 ( -1.925 -6.206 -4.434) 7.866 2.634 ( -3.537 2.030 1.787) 4.452 2.729 ( 5.274 -6.735 -1.986) 8.782 2.808 ( 4.628 -4.373 1.308) 6.501 2.831 ( 3.457 -1.517 4.989) 6.256 2.940 ( 7.140 -3.486 -1.085) 8.019 3.009 ( 2.403 -8.346 -7.807) 11.678 3.103 ( 4.933 3.471 -0.715) 6.074 3.175 ( 1.027 1.239 -0.209) 1.622 3.218 ( -0.656 0.909 -2.742) 2.963 3.270 ( 0.376 1.460 -9.119) 9.242 3.292 ( -2.321 1.356 2.277) 3.523 3.347 ( 2.011 4.177 -2.338) 5.192 3.424 ( -1.826 -2.983 -1.288) 3.727 3.519 ( 2.242 -5.116 4.738) 7.325 3.523 ( 0.351 -1.414 0.977) 1.754 3.575 ( 6.962 -4.688 -1.656) 8.555 3.622 ( -0.474 3.517 -4.065) 5.396 3.664 ( -2.161 -3.022 5.649) 6.761 3.768 ( 3.162 2.171 -7.560) 8.477 3.818 ( -3.375 -1.121 0.699) 3.625 3.894 ( 1.160 -2.303 -0.155) 2.583 3.948 ( -2.147 4.680 -2.071) 5.549 3.978 ( -0.754 -0.089 -1.223) 1.439 4.053 ( 3.020 0.797 -2.244) 3.846 4.073 ( -2.307 0.452 1.700) 2.902 4.112 ( -1.604 1.072 -2.934) 3.512 4.249 ( -5.791 0.017 1.757) 6.052 4.332 ( -0.830 -2.873 -0.573) 3.045 4.440 ( 4.080 5.406 -1.616) 6.963 4.513 ( -1.721 2.367 -7.695) 8.233 4.587 ( -1.932 -0.881 -3.460) 4.059 4.710 ( 3.915 -3.868 -1.538) 5.714 4.826 ( 8.664 -4.444 -2.003) 9.942 4.859 ( 3.096 -3.348 -1.420) 4.776 4.929 ( 5.483 -0.270 -2.687) 6.112 4.995 ( -3.060 3.766 0.447) 4.873 5.061 ( -2.470 -7.920 -2.121) 8.563 5.117 ( -0.503 -4.411 2.858) 5.280 5.209 ( 5.979 -1.818 1.118) 6.349 5.299 ( 2.370 2.199 -0.216) 3.240 5.380 ( 3.336 -0.390 0.503) 3.397 5.506 ( -2.609 -2.234 6.076) 6.980 5.643 ( 0.115 1.327 -0.833) 1.571 5.675 ( 2.233 -5.319 -4.426) 7.271 5.698 ( -3.555 -1.738 1.258) 4.152 5.834 ( 2.043 -0.771 -2.486) 3.308 5.898 ( -2.331 -5.108 0.303) 5.623 5.980 ( 0.437 -6.222 5.237) 8.145 6.051 ( 6.301 3.556 -2.544) 7.670 6.116 ( -1.227 -5.647 4.234) 7.164 6.212 ( -3.132 -0.921 4.985) 5.958 6.402 ( -1.015 -1.459 1.064) 2.072 6.431 ( -3.867 1.394 -6.129) 7.380 6.535 ( -1.089 2.151 4.982) 5.535 6.580 ( 2.320 0.955 2.232) 3.358 6.581 ( -2.036 6.080 1.835) 6.670 6.740 ( -1.567 -5.571 4.993) 7.643 6.809 ( -0.419 8.515 -0.447) 8.537 6.902 ( 4.462 0.374 -4.532) 6.371 6.935 ( -3.347 -1.409 0.196) 3.637 7.057 ( 2.741 1.975 6.219) 7.078 7.150 ( 1.778 -5.637 -4.017) 7.147 7.218 ( 0.521 0.111 3.782) 3.819 7.229 ( -0.375 -4.213 -0.022) 4.229 7.345 ( -1.996 1.496 -1.991) 3.192 7.398 ( -1.042 1.863 -3.541) 4.134 7.417 ( 1.612 3.213 3.952) 5.342 7.586 ( -2.869 3.204 3.794) 5.735 7.593 ( -1.609 5.541 0.819) 5.828 7.614 ( -0.224 2.526 5.994) 6.509 7.743 ( 2.877 3.368 -3.818) 5.847 7.902 ( 1.458 -0.540 -1.901) 2.456 7.996 ( 1.552 2.893 1.447) 3.588 8.069 ( -0.863 -0.554 -2.543) 2.742 8.179 ( 2.249 0.712 -2.256) 3.264 8.324 ( -4.504 0.724 -1.849) 4.922 8.415 ( -3.346 5.365 -5.633) 8.468 8.521 ( 2.061 -7.170 0.512) 7.478 8.687 ( -3.762 -0.693 1.622) 4.155 8.816 ( -7.541 1.243 4.160) 8.702 9.012 ( 0.504 -9.173 -1.014) 9.242 9.147 ( -0.126 13.659 -7.641) 15.652 9.493 ( -5.522 2.345 -1.033) 6.088 9.678 ( 4.270 1.088 4.352) 6.193 9.944 ( 0.070 3.093 -3.353) 4.562 10.250 ( 3.753 -1.051 -1.502) 4.177 10.300 ( -17.028 -22.944 5.743) 29.143 10.325 ( 0.278 0.286 -0.097) 0.410 10.647 ( -4.730 -4.139 -2.498) 6.764 12.942 ( 4.394 2.349 -3.009) 5.821 12.962 ( -0.270 1.127 -0.287) 1.194 13.077 ( 0.098 -1.462 1.900) 2.399 13.172 ( 4.697 1.892 -0.446) 5.083 13.254 ( 1.423 1.245 3.189) 3.707 13.285 ( 1.447 0.671 1.289) 2.051 13.310 ( 0.886 2.056 -0.092) 2.240 13.408 ( 0.460 0.272 -2.013) 2.083 13.948 ( -3.966 1.905 0.188) 4.403 14.096 ( -3.575 1.039 -3.131) 4.864 14.248 ( -1.084 -1.889 4.627) 5.114 14.309 ( 0.455 -0.073 3.341) 3.373 14.379 ( 3.977 1.072 -0.856) 4.207 14.581 ( 0.646 -2.319 -1.817) 3.016 14.675 ( -1.971 1.640 -1.471) 2.957 14.724 ( -3.550 2.922 -6.188) 7.709 14.791 ( 0.327 3.051 -1.365) 3.358 14.889 ( 3.386 1.740 0.827) 3.896 14.956 ( -0.849 -1.671 3.603) 4.061 15.054 ( 2.508 -0.153 2.518) 3.557 15.197 ( 0.042 1.333 -0.885) 1.601 15.302 ( 1.310 0.920 -1.104) 1.945 15.430 ( 4.351 8.420 -3.344) 10.050 15.568 ( 10.063 -0.339 3.518) 10.666 15.687 ( -1.996 -1.890 -2.434) 3.672 15.853 ( -1.298 3.531 0.978) 3.887 16.037 ( -7.994 3.854 3.222) 9.441 16.057 ( -0.328 10.704 4.678) 11.686 16.518 ( -3.687 -4.723 -1.967) 6.306 16.890 ( 1.842 -1.659 2.755) 3.707 16.962 ( 4.375 -0.837 0.095) 4.455 17.082 ( 2.193 -0.246 -0.041) 2.207 18.213 ( 0.692 -0.489 -0.265) 0.888 18.291 ( -0.100 -1.706 1.303) 2.149 18.434 ( 1.155 -1.394 2.505) 3.090 18.484 ( 1.171 -1.605 1.343) 2.398 18.684 ( -0.366 0.940 1.818) 2.079 18.750 ( -1.199 3.528 0.364) 3.744 18.851 ( -0.629 1.335 3.121) 3.452 18.976 ( -1.442 0.380 -1.022) 1.808 19.011 ( -0.430 -0.463 0.592) 0.866 19.139 ( -1.424 -2.883 -0.199) 3.222 19.270 ( 7.477 1.665 -2.489) 8.054 19.471 ( -0.948 -3.910 -0.985) 4.142 19.586 ( 0.908 2.060 -0.869) 2.413 19.824 ( -4.332 -3.893 1.050) 5.918 19.887 ( -1.079 0.148 -1.724) 2.040 20.023 ( -4.078 0.416 -4.536) 6.114 20.524 ( 3.043 -6.092 2.234) 7.167 20.731 ( 0.734 -6.918 6.717) 9.670 20.863 ( 2.817 -0.004 -2.640) 3.861 21.072 ( 4.964 -2.543 -3.700) 6.693 21.307 ( 2.085 2.797 -1.112) 3.661 21.425 ( 0.892 3.118 -0.712) 3.321 21.504 ( 6.725 -0.440 2.255) 7.107 21.626 ( 8.079 1.470 1.306) 8.315 21.831 ( -0.823 -0.157 1.629) 1.832 21.853 ( -0.193 0.899 1.019) 1.372 21.929 ( -2.334 -1.416 -0.226) 2.739 21.976 ( -1.406 -0.121 -0.364) 1.457 22.042 ( -3.478 1.900 -1.985) 4.433 22.052 ( -4.547 1.886 -2.476) 5.510 22.239 ( -5.017 -1.078 0.732) 5.183 22.345 ( -7.084 -3.220 -3.572) 8.562 ======================= Grid point 61 (29/64) ======================= q-point: ( 0.00 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.792 ( -4.263 10.506 15.873) 19.506 1.059 ( 6.080 14.677 19.202) 24.922 1.252 ( -7.023 -10.085 9.362) 15.449 1.513 ( 0.518 13.381 -1.191) 13.443 1.581 ( 4.251 -7.252 10.067) 13.115 1.788 ( -5.581 -2.117 7.038) 9.228 1.885 ( 2.077 3.951 6.815) 8.147 2.044 ( 2.096 -3.473 -6.497) 7.659 2.123 ( -4.753 13.343 -1.482) 14.241 2.186 ( 2.685 -1.575 -0.922) 3.247 2.194 ( -1.285 -5.782 -4.368) 7.360 2.309 ( -3.948 -2.775 0.930) 4.915 2.375 ( 3.369 4.467 1.459) 5.782 2.554 ( 0.075 10.391 4.136) 11.184 2.578 ( -1.335 7.199 4.374) 8.529 2.672 ( -1.179 5.227 5.833) 7.920 2.709 ( -2.040 -1.142 -0.532) 2.398 2.813 ( 0.501 -4.524 2.575) 5.230 2.851 ( 1.529 -2.423 0.231) 2.874 2.987 ( -0.645 -1.380 -3.904) 4.191 3.078 ( 8.409 1.737 -8.788) 12.286 3.104 ( -0.704 -5.088 -4.163) 6.612 3.181 ( 0.690 -4.462 0.571) 4.551 3.218 ( 0.756 -0.660 -4.722) 4.827 3.261 ( 4.398 -2.147 -12.543) 13.464 3.274 ( -3.031 1.423 1.742) 3.774 3.355 ( 2.165 0.849 -3.008) 3.802 3.413 ( 1.765 -2.281 0.733) 2.976 3.427 ( -6.221 -3.478 -0.292) 7.133 3.523 ( 4.215 3.709 0.560) 5.642 3.554 ( 0.919 -3.496 5.833) 6.862 3.619 ( -0.057 -1.472 0.864) 1.708 3.657 ( -3.676 1.168 -3.684) 5.334 3.737 ( -2.531 -0.936 -3.413) 4.351 3.797 ( 1.292 -0.761 -1.981) 2.485 3.834 ( 0.489 -2.687 -3.423) 4.379 3.879 ( 3.353 -5.783 -1.655) 6.886 3.964 ( -2.494 2.007 -3.050) 4.421 3.984 ( -5.672 -1.502 -1.448) 6.043 4.086 ( 0.970 -1.569 -5.062) 5.388 4.169 ( 2.735 -0.747 2.023) 3.483 4.230 ( 0.304 1.102 1.732) 2.076 4.285 ( -3.267 -0.995 -1.669) 3.801 4.451 ( -2.337 -0.212 -3.431) 4.157 4.490 ( -0.015 -3.949 -7.651) 8.610 4.591 ( 0.737 1.538 1.496) 2.269 4.638 ( -2.037 -6.148 0.896) 6.538 4.745 ( 1.177 -0.633 -0.175) 1.347 4.792 ( 1.489 -8.161 -2.121) 8.562 4.880 ( -0.201 -3.431 -0.284) 3.449 4.906 ( 0.205 -7.842 1.512) 7.989 5.010 ( 0.977 -5.275 4.462) 6.978 5.194 ( -0.227 7.633 2.952) 8.187 5.203 ( 1.208 -0.427 -0.700) 1.460 5.321 ( 1.928 -5.465 2.907) 6.484 5.412 ( -1.119 -1.362 0.571) 1.853 5.522 ( -1.655 1.156 0.113) 2.022 5.573 ( 0.905 -5.278 2.299) 5.828 5.668 ( 3.638 4.240 -1.765) 5.859 5.699 ( -0.244 2.158 2.217) 3.103 5.820 ( 1.545 0.532 2.745) 3.195 5.873 ( 1.212 -2.113 0.824) 2.571 5.914 ( -0.500 -2.019 1.501) 2.565 5.954 ( -3.962 -1.003 2.012) 4.556 6.143 ( 0.758 -1.608 -0.855) 1.972 6.198 ( -1.572 -1.662 1.920) 2.987 6.300 ( -5.543 -1.983 -6.895) 9.066 6.443 ( 1.329 -1.159 -5.309) 5.594 6.532 ( -1.381 0.040 -1.468) 2.016 6.569 ( -0.088 -0.729 0.499) 0.888 6.668 ( -0.942 3.708 -0.134) 3.828 6.717 ( 0.076 1.112 6.045) 6.147 6.857 ( 0.069 5.001 -4.295) 6.592 6.957 ( 1.938 0.469 -3.102) 3.688 6.969 ( -1.952 0.265 -5.443) 5.789 7.043 ( -1.071 -3.372 -6.853) 7.712 7.163 ( -2.994 -0.623 3.032) 4.306 7.202 ( 3.011 -0.108 2.401) 3.853 7.268 ( 0.054 4.788 5.098) 6.994 7.395 ( 3.637 1.215 -1.258) 4.036 7.434 ( 4.213 3.026 7.467) 9.092 7.524 ( 0.516 2.641 3.625) 4.514 7.556 ( -2.537 5.094 3.350) 6.604 7.626 ( -1.444 1.815 7.160) 7.526 7.691 ( 2.044 1.499 4.822) 5.447 7.839 ( 4.346 -6.362 0.491) 7.720 7.942 ( -0.304 -1.885 -0.805) 2.072 7.962 ( 1.568 -1.173 -2.146) 2.905 8.096 ( 0.618 3.149 1.101) 3.392 8.202 ( -0.605 -0.993 -0.004) 1.162 8.323 ( -0.239 6.513 -0.531) 6.539 8.430 ( -0.909 0.832 -2.813) 3.071 8.518 ( 2.027 1.295 -3.849) 4.538 8.631 ( -1.802 2.931 -4.172) 5.408 8.722 ( -3.283 -0.367 -0.401) 3.328 8.793 ( -0.399 -9.952 -2.537) 10.278 9.332 ( -3.932 3.791 1.321) 5.619 9.512 ( -7.008 -5.088 8.456) 12.104 9.531 ( 0.775 9.821 -2.270) 10.109 9.792 ( 3.696 -3.743 -0.317) 5.269 10.131 ( 2.544 6.306 1.636) 6.994 10.290 ( 2.659 -1.871 0.214) 3.258 10.389 ( -1.453 3.066 -1.219) 3.605 10.516 ( -2.967 -2.938 -3.145) 5.227 12.959 ( -1.010 0.536 -1.362) 1.778 12.987 ( 1.136 -1.115 -2.523) 2.983 13.114 ( -0.197 2.727 1.956) 3.362 13.223 ( -2.798 -2.103 0.412) 3.524 13.300 ( 0.875 2.344 0.495) 2.550 13.335 ( 2.195 -0.139 2.425) 3.274 13.349 ( -0.691 2.149 0.731) 2.373 13.417 ( 1.764 -1.244 -0.217) 2.169 13.974 ( -0.302 4.339 -1.477) 4.594 14.025 ( -1.843 0.283 -3.645) 4.094 14.212 ( 1.335 -2.308 4.360) 5.111 14.256 ( -0.445 -2.705 2.907) 3.996 14.462 ( 0.009 1.281 -0.942) 1.590 14.549 ( 0.571 -3.586 0.266) 3.641 14.678 ( 0.575 1.820 -1.921) 2.708 14.708 ( -0.703 1.450 -4.366) 4.654 14.854 ( -0.510 3.932 -1.440) 4.219 14.898 ( 0.123 1.246 -1.672) 2.089 14.966 ( -0.334 -1.899 -1.043) 2.192 15.027 ( -0.917 -3.590 0.795) 3.790 15.287 ( 0.810 3.273 2.564) 4.236 15.354 ( 1.836 0.569 0.480) 1.982 15.549 ( -1.606 3.674 -0.646) 4.061 15.651 ( -1.925 -0.058 -2.260) 2.969 15.743 ( 0.961 -2.107 3.694) 4.360 15.768 ( 9.177 -2.478 4.920) 10.704 15.933 ( -3.475 5.808 0.846) 6.821 16.247 ( -2.372 -8.496 -4.471) 9.889 16.673 ( 7.672 6.379 2.998) 10.418 16.873 ( -0.322 -3.104 4.210) 5.240 16.947 ( -1.219 2.730 -2.732) 4.050 17.095 ( 1.160 -3.128 -1.308) 3.583 18.221 ( 0.543 -0.284 1.097) 1.256 18.250 ( -0.630 -1.888 2.197) 2.965 18.412 ( -1.205 0.487 0.020) 1.300 18.465 ( 0.161 -1.477 -0.704) 1.644 18.706 ( -0.672 1.594 2.035) 2.671 18.767 ( -1.426 -0.392 1.442) 2.066 18.858 ( -1.515 2.017 3.475) 4.294 18.934 ( 0.324 -1.120 -0.516) 1.275 19.004 ( 0.360 0.274 0.301) 0.544 19.048 ( -0.374 -1.952 1.242) 2.344 19.395 ( -1.746 0.966 -0.056) 1.996 19.410 ( 1.833 0.309 0.358) 1.893 19.652 ( -0.810 3.869 1.205) 4.133 19.723 ( -1.770 -0.072 1.472) 2.303 19.910 ( 2.446 1.048 -2.934) 3.962 19.978 ( -0.342 0.453 -4.435) 4.471 20.482 ( 1.777 -4.411 0.842) 4.829 20.539 ( -2.494 -5.565 1.712) 6.334 20.940 ( 0.768 0.691 -1.940) 2.198 21.023 ( 0.128 -4.701 -3.790) 6.040 21.436 ( 3.440 0.964 1.250) 3.785 21.448 ( -0.291 0.207 1.251) 1.301 21.643 ( -0.514 1.772 -2.626) 3.210 21.671 ( -7.989 0.447 -2.402) 8.354 21.825 ( -0.032 0.645 1.133) 1.304 21.855 ( -0.489 -0.969 0.768) 1.329 21.884 ( 1.802 0.348 0.102) 1.838 21.932 ( 0.423 -1.286 -1.646) 2.131 22.053 ( 0.475 2.261 -0.671) 2.406 22.076 ( 3.889 0.905 -1.313) 4.203 22.149 ( -0.430 0.532 1.628) 1.766 22.195 ( -1.443 -1.542 -0.183) 2.119 ======================= Grid point 62 (30/64) ======================= q-point: ( 0.17 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( 6.383 3.567 9.713) 12.158 1.187 ( 3.944 -11.098 1.769) 11.910 1.295 ( 11.039 12.793 19.066) 25.477 1.581 ( 2.861 3.594 -0.254) 4.601 1.651 ( 1.980 -2.841 4.295) 5.517 1.675 ( -4.290 1.502 7.408) 8.691 1.883 ( -0.537 -0.338 5.013) 5.053 2.026 ( -4.846 6.666 1.467) 8.371 2.124 ( 1.432 -5.961 -2.230) 6.524 2.201 ( -4.178 -2.510 4.390) 6.560 2.235 ( 5.738 -0.160 -5.355) 7.850 2.274 ( 1.388 0.361 -1.220) 1.882 2.433 ( 2.386 4.246 -5.133) 7.076 2.494 ( -4.049 1.160 2.491) 4.893 2.534 ( -5.011 8.435 1.993) 10.011 2.646 ( 0.075 3.537 -0.520) 3.575 2.710 ( 1.616 0.677 7.950) 8.141 2.766 ( -1.970 -1.022 2.254) 3.164 2.860 ( -2.195 -8.828 -6.178) 10.997 2.921 ( -3.829 5.350 1.041) 6.661 3.072 ( -2.649 -4.619 -0.994) 5.417 3.091 ( -5.752 0.060 5.402) 7.891 3.157 ( -2.513 0.579 -4.137) 4.875 3.215 ( -0.213 0.566 2.341) 2.418 3.259 ( 1.262 -0.141 -2.414) 2.728 3.301 ( -4.206 2.099 -0.811) 4.770 3.340 ( -1.411 -0.799 -2.406) 2.902 3.371 ( 2.831 -3.778 -5.569) 7.301 3.508 ( 2.447 -5.427 5.470) 8.085 3.539 ( 2.254 -1.029 0.983) 2.665 3.602 ( 0.439 4.251 -6.870) 8.091 3.621 ( 4.170 4.107 -0.992) 5.937 3.674 ( 5.301 4.674 -6.868) 9.855 3.729 ( -2.338 -2.091 2.480) 3.999 3.783 ( -0.841 -0.739 -1.650) 1.994 3.845 ( 2.148 -4.312 -4.270) 6.438 3.904 ( 0.554 -2.078 -6.544) 6.889 3.940 ( 4.405 -2.660 -6.103) 7.983 4.000 ( 3.424 -3.325 2.898) 5.583 4.077 ( -0.217 -0.573 -6.746) 6.774 4.145 ( -3.486 -1.911 -1.279) 4.176 4.254 ( -0.022 -2.218 6.023) 6.418 4.292 ( 2.422 1.551 3.568) 4.583 4.373 ( -3.794 -3.757 -1.902) 5.668 4.518 ( 2.005 0.293 -7.903) 8.159 4.565 ( -2.623 3.783 1.477) 4.834 4.610 ( -0.561 -8.521 2.457) 8.886 4.721 ( -2.966 -0.741 2.146) 3.735 4.783 ( -1.361 -6.932 -5.376) 8.877 4.841 ( -4.073 -1.502 -0.584) 4.380 4.934 ( 1.645 -7.376 -0.896) 7.610 5.006 ( -2.786 -2.811 -2.329) 4.592 5.200 ( 0.846 7.589 6.240) 9.861 5.241 ( 2.011 1.962 -1.310) 3.100 5.342 ( 1.632 -0.571 1.955) 2.610 5.422 ( 0.214 1.542 2.046) 2.571 5.479 ( -1.396 -3.307 3.387) 4.935 5.563 ( -0.735 -3.458 -1.693) 3.920 5.650 ( -1.145 -1.183 -0.291) 1.672 5.730 ( 0.001 1.535 1.235) 1.970 5.838 ( -1.212 0.750 2.138) 2.570 5.892 ( 0.150 -2.542 0.021) 2.547 5.904 ( 0.247 -5.333 -0.775) 5.394 5.923 ( -0.921 -1.259 0.564) 1.659 6.091 ( -5.024 -0.604 -0.973) 5.152 6.189 ( 1.607 -1.996 0.578) 2.627 6.245 ( 0.022 -2.054 0.426) 2.098 6.373 ( -3.589 -7.721 -6.397) 10.650 6.534 ( -0.802 4.769 2.073) 5.261 6.572 ( -2.306 3.308 -0.625) 4.081 6.643 ( -0.331 1.377 -0.404) 1.473 6.701 ( -1.115 -1.104 3.662) 3.984 6.819 ( -2.542 3.310 -1.098) 4.315 6.895 ( -1.867 -0.088 -0.998) 2.119 7.029 ( -0.681 -4.737 -2.416) 5.361 7.033 ( 2.094 -5.895 -4.260) 7.568 7.114 ( 1.334 3.854 0.965) 4.191 7.239 ( 0.198 -1.494 4.991) 5.214 7.304 ( 2.016 6.473 1.961) 7.058 7.426 ( 1.343 0.585 -2.239) 2.676 7.465 ( -1.291 2.765 2.233) 3.781 7.527 ( -1.072 2.160 4.853) 5.419 7.558 ( -0.125 5.288 2.853) 6.009 7.675 ( 2.869 0.560 6.499) 7.126 7.757 ( 4.010 1.753 1.707) 4.697 7.879 ( -0.712 2.028 0.384) 2.184 7.924 ( -0.779 0.676 -2.908) 3.085 7.979 ( 0.049 -2.591 3.561) 4.404 8.048 ( -1.746 2.677 0.240) 3.205 8.186 ( -1.531 -4.666 5.446) 7.333 8.390 ( -1.028 4.151 -7.463) 8.601 8.461 ( 6.696 1.638 -1.097) 6.980 8.580 ( 3.680 1.962 -2.012) 4.630 8.614 ( 2.404 0.968 -5.748) 6.305 8.718 ( 2.143 -0.301 -1.606) 2.695 8.820 ( 4.004 -4.936 0.003) 6.356 9.263 ( -0.852 3.865 -4.010) 5.634 9.460 ( 2.419 -3.361 3.671) 5.534 9.663 ( 8.901 9.078 -1.002) 12.752 9.895 ( 4.568 -2.059 1.871) 5.348 10.166 ( -0.063 5.716 3.585) 6.748 10.330 ( 1.221 -2.051 1.658) 2.906 10.344 ( -1.871 1.329 -0.445) 2.338 10.463 ( -1.465 -3.135 -5.238) 6.278 12.930 ( -1.241 1.626 -1.328) 2.438 13.004 ( 0.917 -2.615 -1.381) 3.096 13.083 ( -3.156 2.419 0.759) 4.048 13.147 ( -3.446 -1.096 1.707) 3.999 13.289 ( -1.445 1.986 0.995) 2.650 13.310 ( -2.257 2.341 0.791) 3.347 13.364 ( -0.711 0.186 0.475) 0.875 13.424 ( -1.619 -1.438 -0.404) 2.203 13.994 ( 2.253 3.029 -1.416) 4.032 14.040 ( 3.816 0.903 -2.209) 4.501 14.257 ( 1.496 -0.934 3.483) 3.904 14.287 ( 2.713 -1.795 2.840) 4.318 14.434 ( -1.411 1.846 0.857) 2.477 14.542 ( -0.055 -3.677 -0.829) 3.769 14.696 ( -0.367 2.081 -2.256) 3.092 14.726 ( 2.691 0.825 -3.756) 4.694 14.829 ( -2.221 2.588 -1.194) 3.613 14.896 ( -0.712 1.609 -2.712) 3.233 14.951 ( 0.459 -1.699 -0.352) 1.795 15.006 ( -0.936 -3.072 0.079) 3.212 15.280 ( -1.423 2.443 1.783) 3.342 15.375 ( 0.104 -0.795 0.206) 0.827 15.493 ( -3.642 4.286 0.678) 5.665 15.636 ( -7.867 1.935 1.651) 8.268 15.693 ( 5.569 1.300 0.392) 5.732 15.941 ( 5.686 -4.115 0.254) 7.023 16.031 ( 8.860 1.505 4.680) 10.132 16.233 ( 2.723 -6.922 -4.390) 8.637 16.627 ( -8.036 3.062 2.099) 8.852 16.815 ( -5.404 -4.168 3.714) 7.770 16.996 ( 0.519 0.939 0.078) 1.076 17.077 ( -2.005 -1.796 -0.172) 2.697 18.225 ( -0.909 -1.023 1.920) 2.358 18.231 ( -0.795 -0.980 2.164) 2.505 18.386 ( -0.868 2.094 -1.598) 2.773 18.469 ( 0.194 -1.816 -1.403) 2.303 18.694 ( -0.599 1.412 1.928) 2.464 18.742 ( -0.598 -0.462 1.535) 1.711 18.865 ( 2.040 3.954 2.251) 4.986 18.994 ( 3.712 -1.541 -0.282) 4.029 19.017 ( 1.406 0.046 -0.791) 1.614 19.057 ( 1.170 -2.117 1.204) 2.702 19.324 ( -4.526 2.929 0.112) 5.392 19.420 ( -0.911 -1.367 -0.501) 1.717 19.629 ( -0.673 2.820 -0.227) 2.908 19.688 ( -2.219 -0.318 -0.213) 2.252 19.980 ( 0.400 2.204 -1.827) 2.891 19.987 ( 4.820 1.594 -1.525) 5.300 20.503 ( 0.157 -3.787 1.611) 4.118 20.523 ( 1.251 -5.064 0.157) 5.219 20.908 ( -3.634 -0.042 -0.720) 3.705 20.972 ( -4.438 -4.569 -3.598) 7.315 21.405 ( -4.397 2.031 -1.393) 5.040 21.445 ( -3.655 0.192 1.788) 4.073 21.505 ( -4.161 1.148 1.009) 4.433 21.556 ( -5.347 -0.649 -1.451) 5.579 21.835 ( 1.364 0.680 1.520) 2.152 21.855 ( 0.403 -0.218 1.153) 1.241 21.928 ( 1.853 0.181 -0.582) 1.951 21.953 ( 0.808 -0.496 -1.339) 1.641 22.078 ( 2.414 1.693 -1.788) 3.448 22.107 ( 1.389 0.634 -1.228) 1.960 22.231 ( 5.782 0.481 0.872) 5.867 22.291 ( 7.243 -2.340 -0.638) 7.638 ======================= Grid point 63 (31/64) ======================= q-point: ( 0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( 13.687 -2.022 -0.436) 13.842 1.353 ( 11.180 -13.029 -6.148) 18.236 1.539 ( 1.211 1.479 1.074) 2.193 1.586 ( 8.839 3.492 11.681) 15.059 1.689 ( 2.606 -3.057 -0.092) 4.018 1.719 ( 4.250 7.247 6.021) 10.336 1.867 ( -3.681 -2.081 5.933) 7.286 1.920 ( -5.174 -0.759 -1.553) 5.455 2.051 ( -6.394 -1.842 -0.791) 6.701 2.122 ( -2.435 -4.085 3.080) 5.666 2.227 ( -5.955 0.583 -0.088) 5.984 2.311 ( -0.439 -3.612 -1.444) 3.915 2.400 ( -0.212 -0.032 -2.088) 2.099 2.445 ( -0.734 -1.413 2.161) 2.684 2.558 ( 1.793 2.998 -0.159) 3.497 2.613 ( -3.216 -0.634 -1.858) 3.768 2.692 ( -0.954 -3.034 1.016) 3.339 2.776 ( -4.143 -11.691 -2.720) 12.698 2.843 ( 1.680 3.586 9.869) 10.634 2.877 ( 0.091 3.676 3.568) 5.124 2.970 ( -7.231 3.313 2.894) 8.464 3.014 ( 0.164 2.968 3.240) 4.397 3.100 ( -0.767 0.455 1.944) 2.139 3.166 ( -3.289 2.770 -1.195) 4.463 3.246 ( -2.176 -0.049 4.675) 5.157 3.288 ( 1.826 0.665 -0.282) 1.964 3.372 ( 2.574 2.303 -0.383) 3.475 3.414 ( 3.747 0.635 -5.010) 6.288 3.501 ( -3.261 1.681 -5.127) 6.305 3.562 ( 3.223 -1.011 2.004) 3.927 3.607 ( -5.261 -1.172 1.158) 5.513 3.679 ( 1.753 4.845 2.046) 5.544 3.704 ( -1.492 -0.218 -7.133) 7.291 3.741 ( 5.563 -2.334 -4.387) 7.459 3.834 ( 3.766 -1.197 -7.814) 8.757 3.876 ( 5.627 0.970 0.394) 5.723 3.940 ( -3.019 1.012 -4.511) 5.522 3.998 ( -0.845 -2.326 2.926) 3.832 4.042 ( 3.645 -3.389 -10.282) 11.423 4.084 ( 1.159 1.608 -1.271) 2.354 4.180 ( 6.285 -6.676 7.099) 11.596 4.226 ( 0.089 4.262 1.374) 4.478 4.313 ( 1.085 -0.311 0.588) 1.273 4.341 ( -1.831 0.427 0.672) 1.997 4.477 ( -5.490 -0.122 2.249) 5.934 4.519 ( -1.856 -6.351 -2.806) 7.187 4.599 ( -0.876 -7.145 -3.369) 7.948 4.652 ( -4.277 -0.125 2.295) 4.856 4.751 ( -1.210 -2.741 -7.308) 7.898 4.770 ( 0.482 0.561 -3.405) 3.485 4.913 ( -4.722 1.448 -1.260) 5.097 4.981 ( 2.923 -5.461 -2.881) 6.831 5.232 ( -1.290 4.801 -1.147) 5.102 5.250 ( 2.392 6.210 5.821) 8.841 5.390 ( -2.334 2.755 2.980) 4.682 5.429 ( 0.602 -0.585 3.452) 3.552 5.462 ( 3.934 -2.755 -3.741) 6.088 5.581 ( -1.767 -5.306 -4.496) 7.176 5.646 ( 2.367 1.532 -1.780) 3.334 5.726 ( -0.628 -4.904 0.990) 5.042 5.773 ( -4.494 -2.422 -1.616) 5.355 5.845 ( -3.984 -0.516 -1.980) 4.479 5.906 ( 1.209 -2.671 -0.955) 3.084 5.928 ( 0.464 -5.034 4.058) 6.483 6.019 ( -1.199 -2.530 -3.109) 4.184 6.203 ( -1.487 -6.719 -0.047) 6.881 6.286 ( 3.397 -1.250 3.516) 5.046 6.315 ( -0.881 -1.944 2.244) 3.097 6.483 ( -3.250 1.162 0.581) 3.500 6.559 ( 1.116 3.439 0.322) 3.630 6.599 ( -2.777 -1.988 9.391) 9.993 6.703 ( -2.044 -2.950 -0.566) 3.633 6.823 ( 5.403 1.978 -0.751) 5.802 6.890 ( 0.412 0.855 1.404) 1.695 7.004 ( -0.375 -2.154 -3.408) 4.049 7.079 ( 0.633 -3.493 4.712) 5.900 7.105 ( -2.854 2.461 1.489) 4.052 7.232 ( -0.948 -3.595 2.972) 4.760 7.361 ( 4.135 6.822 -2.800) 8.454 7.428 ( -2.136 3.070 0.679) 3.801 7.450 ( -0.087 1.646 0.060) 1.649 7.534 ( -2.642 2.983 0.452) 4.011 7.548 ( 1.877 1.381 4.582) 5.141 7.652 ( -3.075 -0.336 -1.594) 3.480 7.803 ( -5.066 7.083 3.207) 9.280 7.835 ( 3.485 1.429 -5.638) 6.781 7.967 ( 3.667 0.569 1.085) 3.866 7.998 ( -0.015 -0.990 2.637) 2.817 8.063 ( 2.550 1.076 0.896) 2.909 8.181 ( 1.685 -3.794 6.897) 8.050 8.312 ( -4.150 3.036 -6.167) 8.030 8.443 ( -7.177 -3.141 -3.756) 8.688 8.623 ( 3.402 4.059 -3.442) 6.316 8.748 ( 2.288 5.361 -0.985) 5.911 8.773 ( 6.341 -0.960 -0.624) 6.443 8.940 ( 5.775 -3.799 0.637) 6.942 9.308 ( 6.502 6.446 -7.747) 11.994 9.563 ( 5.710 -3.932 -0.211) 6.936 9.825 ( 5.685 6.669 1.710) 8.928 9.934 ( -0.116 2.735 -2.205) 3.515 10.127 ( -3.448 4.287 4.380) 7.032 10.314 ( -1.833 -5.004 6.247) 8.212 10.362 ( 0.892 -0.514 -2.796) 2.980 10.464 ( 2.922 -3.961 -2.948) 5.737 12.911 ( -0.972 2.543 0.375) 2.748 13.014 ( -0.411 -0.967 1.014) 1.461 13.026 ( -0.715 0.236 -1.843) 1.991 13.113 ( -0.311 -2.596 -0.084) 2.616 13.247 ( -2.879 1.978 1.798) 3.928 13.274 ( -0.979 2.012 0.203) 2.247 13.326 ( -2.422 0.143 -0.247) 2.439 13.368 ( -3.152 -1.187 -0.826) 3.468 14.059 ( 4.180 2.047 -0.949) 4.750 14.130 ( 4.102 -0.915 -0.768) 4.273 14.282 ( 0.812 2.196 2.427) 3.372 14.300 ( -1.971 1.341 2.462) 3.427 14.456 ( 2.684 2.765 3.121) 4.959 14.571 ( 3.018 -4.134 0.710) 5.168 14.661 ( -2.001 0.720 -2.918) 3.611 14.717 ( -4.346 -1.587 -3.118) 5.579 14.802 ( 1.378 3.332 -1.345) 3.848 14.888 ( 0.784 2.388 -2.977) 3.896 14.974 ( 0.991 -1.688 0.421) 2.002 15.001 ( 0.298 -0.382 -0.003) 0.485 15.243 ( -2.165 2.865 -0.932) 3.710 15.357 ( -2.557 -0.409 0.280) 2.605 15.432 ( -1.307 4.341 0.821) 4.608 15.505 ( -5.291 2.944 0.685) 6.093 15.807 ( 4.706 1.592 -0.417) 4.985 15.997 ( 1.032 -3.488 -3.783) 5.248 16.203 ( 6.695 -1.024 4.265) 8.004 16.328 ( 4.521 -4.111 1.249) 6.237 16.501 ( -2.833 1.346 1.447) 3.454 16.694 ( -6.189 -5.817 1.514) 8.627 16.906 ( -6.646 3.748 4.084) 8.654 17.032 ( -3.330 -1.677 -0.331) 3.743 18.204 ( -0.844 -0.400 1.531) 1.794 18.228 ( -0.158 -1.621 1.891) 2.496 18.380 ( 0.507 2.660 -3.445) 4.382 18.464 ( -0.357 -1.234 -2.284) 2.620 18.694 ( 0.174 1.601 2.343) 2.843 18.754 ( 1.248 -0.802 2.309) 2.744 18.933 ( 4.171 5.385 1.311) 6.936 19.016 ( 0.216 1.325 -0.892) 1.612 19.047 ( 0.356 -0.336 0.243) 0.546 19.109 ( 2.029 -2.198 -0.583) 3.047 19.237 ( -3.592 1.601 1.042) 4.069 19.389 ( -1.419 -4.071 -2.543) 5.005 19.631 ( 0.523 0.646 0.263) 0.871 19.651 ( -0.809 -0.315 -1.865) 2.057 19.975 ( -0.703 2.014 0.284) 2.152 20.057 ( 1.882 -0.661 -0.464) 2.048 20.549 ( 3.385 -0.986 -1.581) 3.864 20.557 ( 3.025 -2.079 3.063) 4.781 20.794 ( -6.919 -0.740 -1.157) 7.054 20.887 ( -3.172 -6.075 -1.202) 6.958 21.323 ( -2.681 0.319 -1.302) 2.997 21.361 ( -4.302 -0.951 0.240) 4.412 21.444 ( -2.090 0.895 -0.076) 2.275 21.477 ( -2.663 -0.282 0.422) 2.711 21.860 ( 0.502 -0.071 0.776) 0.927 21.874 ( 0.593 -0.762 1.665) 1.925 21.953 ( 0.971 1.021 0.394) 1.463 21.973 ( 1.467 -0.007 0.439) 1.532 22.133 ( 2.894 1.058 -2.778) 4.149 22.149 ( 2.424 0.529 -2.338) 3.409 22.333 ( 3.711 0.937 1.161) 4.000 22.391 ( 2.817 -1.776 -0.403) 3.355 ======================= Grid point 64 (32/64) ======================= q-point: (-0.50 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( 1.015 -3.732 -9.273) 10.048 1.434 ( 2.585 -6.206 0.110) 6.724 1.575 ( -11.358 4.031 -1.761) 12.180 1.646 ( 6.802 -7.801 -1.379) 10.441 1.693 ( -1.658 2.622 -0.944) 3.243 1.774 ( -4.638 0.344 3.548) 5.850 1.877 ( 7.940 -9.546 -1.546) 12.512 1.929 ( -0.281 0.304 0.972) 1.057 1.989 ( 7.929 -0.551 9.971) 12.751 2.115 ( -1.640 0.651 6.201) 6.447 2.127 ( 1.461 2.087 2.356) 3.470 2.339 ( 4.149 -4.853 -1.044) 6.470 2.384 ( -4.026 -2.240 2.810) 5.396 2.440 ( 0.737 -5.825 -0.710) 5.914 2.506 ( -1.094 -3.429 -0.931) 3.718 2.589 ( -2.435 -0.274 1.815) 3.050 2.652 ( -5.014 -7.767 -3.495) 9.883 2.661 ( -4.384 -4.431 7.031) 9.397 2.846 ( -0.528 3.759 5.325) 6.539 2.876 ( -1.322 4.900 5.057) 7.165 2.945 ( 5.788 1.138 2.432) 6.380 3.064 ( 0.193 4.616 -3.223) 5.633 3.096 ( -4.549 4.304 1.009) 6.344 3.144 ( 4.256 -0.236 2.244) 4.817 3.207 ( -1.316 -1.109 3.673) 4.057 3.301 ( -1.680 5.071 -0.457) 5.362 3.404 ( 0.107 -2.138 -3.285) 3.921 3.427 ( -0.453 5.007 -4.613) 6.823 3.473 ( -1.585 0.877 -4.798) 5.128 3.505 ( -1.429 -2.899 5.612) 6.476 3.639 ( 3.004 1.595 -2.375) 4.149 3.666 ( -0.672 0.932 -5.968) 6.077 3.728 ( -1.553 -2.959 -4.712) 5.777 3.784 ( 0.337 0.663 3.801) 3.873 3.812 ( -3.526 -1.532 -2.619) 4.652 3.834 ( -2.539 -0.587 -0.283) 2.622 3.994 ( 3.565 3.024 3.507) 5.844 4.022 ( 3.056 0.089 -4.448) 5.397 4.062 ( 0.499 0.429 -5.703) 5.741 4.150 ( 5.375 0.913 1.236) 5.590 4.238 ( -0.816 7.624 1.226) 7.765 4.278 ( -1.135 -0.951 -1.406) 2.042 4.317 ( 3.415 0.442 2.426) 4.212 4.384 ( -2.927 -2.508 0.734) 3.923 4.407 ( 5.352 -4.418 4.646) 8.352 4.470 ( 0.041 -3.837 -5.892) 7.031 4.549 ( -3.124 0.690 0.281) 3.211 4.627 ( 1.771 -2.646 -1.346) 3.456 4.749 ( -0.075 -3.094 -6.255) 6.979 4.779 ( 2.004 -9.301 -3.579) 10.165 4.865 ( -0.223 3.003 0.660) 3.082 5.031 ( 2.315 -4.259 1.130) 4.977 5.192 ( -4.274 2.924 -0.105) 5.180 5.271 ( -0.840 1.709 -0.264) 1.923 5.340 ( -0.727 6.295 -1.208) 6.451 5.428 ( -1.624 2.625 -1.743) 3.545 5.514 ( -2.453 -4.419 -2.231) 5.525 5.548 ( 2.828 -1.379 -6.693) 7.396 5.624 ( -2.617 -1.598 -1.058) 3.244 5.682 ( -2.845 -3.475 -1.760) 4.824 5.714 ( -0.155 -0.579 -3.731) 3.779 5.845 ( 4.080 -4.113 -5.819) 8.211 5.913 ( -2.356 -8.808 2.092) 9.354 5.952 ( 1.760 6.003 6.491) 9.015 6.033 ( 1.941 -8.243 -3.781) 9.274 6.177 ( 0.177 -5.154 5.427) 7.486 6.335 ( 1.565 0.247 7.689) 7.851 6.366 ( 3.667 -1.983 6.166) 7.442 6.452 ( 0.443 -0.893 0.661) 1.196 6.559 ( -0.586 -1.032 4.413) 4.570 6.615 ( 1.897 1.088 2.923) 3.651 6.676 ( 0.672 -2.778 0.757) 2.957 6.864 ( -4.242 1.882 2.274) 5.168 6.942 ( 4.285 -2.027 -0.942) 4.833 6.979 ( -3.837 1.114 1.330) 4.211 7.026 ( -0.365 -0.265 4.326) 4.350 7.121 ( 1.805 0.496 -0.261) 1.890 7.226 ( -0.388 -2.875 0.734) 2.992 7.343 ( -4.364 4.614 -0.143) 6.352 7.429 ( 0.374 2.655 -2.157) 3.441 7.449 ( -2.139 2.130 -0.342) 3.037 7.490 ( 2.575 1.772 -0.728) 3.209 7.531 ( -2.669 0.077 2.748) 3.832 7.655 ( 2.083 1.148 -3.065) 3.880 7.729 ( -2.652 8.321 3.467) 9.397 7.877 ( 0.907 0.932 -5.739) 5.884 7.972 ( -1.671 -1.536 2.934) 3.710 8.026 ( 2.400 -0.756 0.382) 2.545 8.089 ( -2.672 3.074 0.429) 4.095 8.206 ( -3.984 -2.061 1.665) 4.785 8.280 ( -1.791 -0.906 -2.301) 3.054 8.323 ( 4.693 -0.276 -2.592) 5.369 8.662 ( 1.268 4.251 -2.746) 5.217 8.778 ( 0.903 1.717 -1.919) 2.729 8.833 ( -0.414 1.105 1.450) 1.869 9.013 ( 1.532 -2.990 -0.328) 3.375 9.452 ( 5.925 6.943 -5.856) 10.845 9.606 ( -1.399 0.395 -3.845) 4.111 9.846 ( -2.787 7.407 3.573) 8.683 9.952 ( 1.815 4.258 -1.515) 4.871 10.086 ( -0.135 -1.821 1.015) 2.089 10.278 ( -2.983 -8.698 7.380) 11.791 10.355 ( -0.244 2.176 -3.422) 4.062 10.543 ( 3.731 -5.404 0.765) 6.611 12.889 ( -0.773 3.078 1.282) 3.423 13.015 ( -1.075 -3.811 0.913) 4.064 13.034 ( 2.560 2.427 -2.748) 4.471 13.108 ( -0.788 -0.985 -0.287) 1.294 13.221 ( 0.852 0.361 0.970) 1.340 13.261 ( -0.785 0.025 0.882) 1.181 13.289 ( -0.685 0.856 -0.500) 1.205 13.330 ( 0.009 -0.651 -0.694) 0.952 14.139 ( 1.954 0.553 -0.380) 2.066 14.163 ( 0.416 -0.881 -0.124) 0.982 14.256 ( -1.841 2.822 1.923) 3.879 14.303 ( 0.675 1.186 1.442) 1.985 14.464 ( -2.899 4.953 2.115) 6.117 14.582 ( -4.148 -1.692 0.721) 4.537 14.678 ( 4.693 -1.483 0.084) 4.922 14.684 ( 3.305 -2.029 -0.615) 3.927 14.827 ( 1.039 2.705 -1.833) 3.429 14.916 ( 2.013 4.429 -3.098) 5.768 14.978 ( -0.781 -4.274 1.420) 4.571 14.998 ( -0.978 2.700 -0.379) 2.897 15.208 ( -0.338 2.236 -2.581) 3.432 15.303 ( -1.819 0.336 -1.376) 2.305 15.415 ( -3.477 3.276 -0.067) 4.777 15.449 ( 2.118 2.441 0.488) 3.268 15.856 ( -0.940 4.644 -0.158) 4.741 15.974 ( -1.306 1.763 -5.658) 6.068 16.284 ( -1.655 -4.404 2.713) 5.431 16.341 ( -1.589 -2.470 2.884) 4.116 16.523 ( 3.660 -3.578 1.965) 5.483 16.610 ( -3.304 -5.411 2.375) 6.770 16.831 ( -0.093 5.472 3.470) 6.480 16.981 ( -0.164 -1.359 -0.621) 1.503 18.197 ( -0.099 -0.231 0.823) 0.861 18.231 ( 0.137 -1.998 1.985) 2.820 18.395 ( 1.535 1.937 -3.422) 4.221 18.452 ( -0.455 -0.501 -2.703) 2.786 18.703 ( 0.341 2.100 3.124) 3.779 18.784 ( 1.070 -1.251 3.109) 3.518 18.994 ( -0.311 5.058 -0.980) 5.161 19.029 ( 0.618 1.152 -0.269) 1.334 19.052 ( 2.049 2.295 0.393) 3.102 19.086 ( -2.514 1.176 0.900) 2.918 19.200 ( -1.041 -0.391 -0.133) 1.120 19.375 ( 0.537 -6.577 -3.072) 7.278 19.621 ( -0.732 0.714 0.025) 1.023 19.676 ( 2.649 -2.457 -1.425) 3.884 19.961 ( -0.707 1.229 1.403) 1.995 20.064 ( -0.725 -2.295 -1.025) 2.616 20.572 ( -1.464 0.949 1.081) 2.052 20.644 ( 0.611 3.965 -0.903) 4.112 20.705 ( 2.320 -5.061 1.696) 5.819 20.841 ( -0.748 -7.219 -1.605) 7.433 21.295 ( -1.241 -1.242 -0.756) 1.911 21.309 ( 1.039 -1.661 -1.011) 2.205 21.431 ( 0.623 1.058 0.259) 1.255 21.445 ( -0.430 0.582 -0.051) 0.726 21.863 ( -0.253 -0.435 0.369) 0.624 21.867 ( -1.075 -0.804 0.313) 1.378 21.972 ( 0.479 1.138 1.718) 2.116 21.997 ( 0.557 0.004 1.674) 1.764 22.166 ( 0.495 1.023 -2.926) 3.139 22.180 ( 0.639 0.426 -2.664) 2.773 22.371 ( -0.207 0.819 1.196) 1.464 22.413 ( -0.286 -1.173 -0.012) 1.208 ======================= Grid point 65 (33/64) ======================= q-point: (-0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( -11.259 6.076 -1.648) 12.899 1.245 ( -15.417 9.722 -1.983) 18.334 1.500 ( -4.244 -11.945 1.133) 12.727 1.651 ( -7.326 -4.221 5.387) 10.025 1.678 ( 2.115 0.695 2.402) 3.275 1.743 ( 2.197 -2.891 4.846) 6.055 1.954 ( 3.154 -7.168 -1.984) 8.079 2.007 ( -3.281 -7.840 1.651) 8.657 2.100 ( 3.995 7.005 -0.285) 8.069 2.123 ( 3.548 -0.291 10.016) 10.630 2.220 ( 2.956 3.939 1.320) 5.098 2.354 ( -1.056 -1.692 -5.517) 5.867 2.386 ( 2.279 -2.557 7.874) 8.586 2.486 ( 1.724 -2.916 3.035) 4.548 2.520 ( 3.231 -6.765 -1.001) 7.564 2.578 ( 3.344 3.032 -1.170) 4.662 2.618 ( 2.764 4.239 -0.180) 5.064 2.635 ( 3.007 -3.979 1.697) 5.268 2.811 ( -2.519 3.879 3.053) 5.542 2.904 ( 0.010 3.298 5.336) 6.273 2.925 ( -6.928 1.954 -3.733) 8.109 3.059 ( 4.104 0.912 1.328) 4.409 3.117 ( 3.152 -3.720 -3.665) 6.100 3.196 ( -0.199 0.132 5.618) 5.623 3.232 ( 3.536 0.997 -1.718) 4.055 3.276 ( 1.908 -2.060 -2.418) 3.705 3.338 ( -3.500 0.343 0.425) 3.542 3.414 ( -0.083 -1.657 -2.661) 3.135 3.469 ( -4.043 -4.821 7.496) 9.786 3.491 ( -0.121 2.119 -3.729) 4.291 3.581 ( -2.195 8.375 -0.979) 8.713 3.672 ( 2.082 -3.280 -5.918) 7.080 3.696 ( -2.447 -2.038 -4.395) 5.428 3.764 ( 0.352 2.890 -6.762) 7.362 3.796 ( 0.037 0.623 -1.110) 1.273 3.848 ( 0.541 -1.538 0.937) 1.880 4.013 ( -0.708 1.860 2.940) 3.550 4.024 ( -2.577 -1.669 -7.040) 7.680 4.076 ( 0.944 2.722 -1.762) 3.377 4.186 ( -3.381 2.687 -0.617) 4.363 4.210 ( -2.838 0.317 -2.184) 3.595 4.291 ( -1.784 -1.238 -0.140) 2.176 4.317 ( 5.137 -1.574 2.185) 5.801 4.343 ( -1.418 1.366 -1.600) 2.537 4.498 ( 4.741 1.222 5.183) 7.129 4.549 ( 3.188 -7.168 0.221) 7.848 4.572 ( 5.786 -2.054 -3.755) 7.197 4.648 ( -7.057 -7.429 -2.772) 10.615 4.730 ( 8.044 -0.317 -1.902) 8.272 4.857 ( 3.630 -8.270 -1.972) 9.244 4.882 ( -0.168 1.590 -0.746) 1.764 5.025 ( -3.815 -4.129 6.499) 8.593 5.132 ( 1.375 2.681 0.745) 3.104 5.225 ( -2.594 0.211 -4.752) 5.419 5.332 ( -2.413 4.950 -2.743) 6.153 5.395 ( 1.037 4.342 -0.985) 4.572 5.463 ( -1.259 -1.753 4.944) 5.395 5.556 ( -0.494 -3.820 -6.298) 7.382 5.607 ( 0.425 -2.925 -1.874) 3.500 5.671 ( 0.731 -4.710 -1.286) 4.937 5.756 ( 3.915 -2.300 -6.803) 8.179 5.832 ( -4.411 -8.272 5.334) 10.786 5.928 ( 5.011 1.486 -7.250) 8.938 6.004 ( 1.674 2.430 7.385) 7.953 6.047 ( 0.338 -2.563 -0.076) 2.587 6.210 ( 0.364 -2.913 8.068) 8.585 6.391 ( 3.016 0.986 3.598) 4.798 6.442 ( -0.009 -2.306 -6.158) 6.575 6.479 ( 3.722 0.609 3.830) 5.375 6.576 ( 3.031 -1.454 7.928) 8.611 6.663 ( -0.022 -1.986 -0.063) 1.988 6.689 ( -1.767 2.077 2.622) 3.783 6.790 ( 1.942 -1.068 -0.030) 2.217 6.878 ( -5.320 -1.436 1.990) 5.859 6.988 ( 2.029 -2.059 0.026) 2.891 7.066 ( 2.157 -1.132 2.750) 3.674 7.139 ( -0.984 4.146 -2.501) 4.941 7.209 ( -1.258 0.200 1.476) 1.949 7.254 ( -3.836 5.249 0.343) 6.511 7.405 ( 0.110 2.877 0.272) 2.892 7.449 ( -1.925 -1.548 -0.411) 2.504 7.496 ( 0.424 5.104 -3.488) 6.197 7.565 ( 3.918 -1.739 3.846) 5.759 7.687 ( 0.887 2.154 1.414) 2.725 7.699 ( -0.264 6.658 0.462) 6.679 7.822 ( -5.207 0.255 -3.876) 6.496 7.964 ( -3.566 -0.784 2.424) 4.383 8.011 ( -1.623 -0.435 -1.307) 2.129 8.046 ( -3.228 -2.693 4.075) 5.855 8.080 ( 0.654 0.281 -0.874) 1.127 8.351 ( 5.088 2.765 -3.217) 6.624 8.427 ( 3.963 -0.362 -3.788) 5.494 8.650 ( -2.961 5.040 -3.103) 6.619 8.782 ( -1.221 -3.539 -0.771) 3.823 8.791 ( -2.080 2.627 1.441) 3.648 8.985 ( -4.759 -3.666 1.862) 6.289 9.424 ( -4.585 8.683 -6.757) 11.920 9.613 ( 0.824 -0.332 -0.679) 1.118 9.739 ( -6.884 8.373 2.418) 11.106 9.984 ( 1.120 1.351 -2.523) 3.073 10.133 ( 4.204 -2.844 -0.844) 5.146 10.182 ( -8.007 -13.020 8.321) 17.403 10.368 ( 1.650 5.500 -1.837) 6.028 10.590 ( 0.760 -5.514 0.473) 5.586 12.902 ( 2.138 2.129 -0.014) 3.017 12.986 ( -1.572 -2.332 -0.209) 2.820 13.071 ( 0.959 2.179 -0.322) 2.402 13.118 ( 2.412 0.368 -0.104) 2.442 13.245 ( 0.780 0.401 2.659) 2.800 13.267 ( 1.610 0.388 0.138) 1.662 13.304 ( 1.735 0.543 -1.011) 2.080 13.358 ( 2.337 -1.491 -1.185) 3.015 14.088 ( -3.827 2.135 -0.476) 4.408 14.166 ( -2.598 -1.642 -0.571) 3.126 14.279 ( 2.291 2.736 1.095) 3.733 14.287 ( -1.579 0.887 3.993) 4.385 14.394 ( -3.317 2.264 0.457) 4.042 14.516 ( -1.471 -3.614 -1.008) 4.030 14.734 ( -0.207 1.476 0.545) 1.587 14.774 ( 4.258 -0.247 0.482) 4.292 14.851 ( 1.348 2.619 -4.587) 5.452 14.925 ( -1.096 -0.165 1.282) 1.694 14.943 ( -1.922 3.335 -2.955) 4.853 14.996 ( 1.546 -0.421 1.527) 2.213 15.231 ( 1.324 0.679 -0.210) 1.503 15.279 ( 0.477 -1.077 -3.045) 3.265 15.405 ( 3.324 4.272 0.542) 5.440 15.508 ( 3.753 2.396 0.304) 4.463 15.753 ( -7.020 2.406 -1.606) 7.593 15.959 ( -3.103 -0.061 -2.610) 4.056 16.201 ( -0.787 4.901 -0.983) 5.060 16.273 ( -7.120 1.917 5.455) 9.172 16.518 ( -5.244 -4.443 1.773) 7.098 16.659 ( 8.583 -8.005 0.755) 11.761 16.896 ( 4.600 4.090 2.695) 6.719 17.024 ( 3.101 -1.551 -0.323) 3.482 18.199 ( 0.222 -0.052 0.523) 0.571 18.239 ( 0.369 -2.210 2.185) 3.130 18.428 ( 1.755 0.513 -1.820) 2.580 18.440 ( -0.205 -0.106 -2.545) 2.555 18.713 ( 0.085 2.381 3.413) 4.162 18.798 ( -0.152 -0.968 2.676) 2.850 18.951 ( -3.290 5.248 1.024) 6.279 19.009 ( -1.222 -0.042 -1.120) 1.658 19.030 ( -1.980 0.083 0.923) 2.186 19.120 ( -0.390 -1.272 -0.188) 1.344 19.204 ( 3.958 3.353 -1.157) 5.315 19.395 ( 1.438 -5.043 -1.544) 5.467 19.616 ( 0.328 2.075 -0.292) 2.121 19.732 ( 2.748 -4.117 -0.551) 4.980 19.945 ( -1.505 0.932 0.973) 2.020 20.037 ( -1.532 -2.427 -1.722) 3.347 20.499 ( -3.649 1.103 -0.203) 3.817 20.633 ( -1.801 -3.912 2.883) 5.183 20.785 ( 4.409 -0.619 -2.031) 4.894 20.890 ( 5.132 -5.208 -1.136) 7.400 21.307 ( 2.373 1.144 -1.283) 2.930 21.363 ( 3.855 -1.664 0.257) 4.206 21.451 ( 1.796 1.770 -0.027) 2.522 21.488 ( 4.856 -0.447 0.364) 4.890 21.842 ( -1.068 -0.220 0.382) 1.155 21.858 ( -0.278 -0.548 0.944) 1.126 21.968 ( -1.194 0.888 1.176) 1.897 21.997 ( -0.809 -0.252 1.286) 1.540 22.141 ( -2.491 1.332 -2.847) 4.011 22.157 ( -2.550 0.690 -2.580) 3.693 22.329 ( -3.978 0.576 1.126) 4.174 22.383 ( -2.893 -2.108 -0.391) 3.601 ======================= Grid point 66 (34/64) ======================= q-point: (-0.17 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( -7.353 13.272 7.336) 16.853 1.029 ( -5.956 15.036 10.507) 19.286 1.396 ( -6.152 -10.679 3.314) 12.763 1.521 ( -3.135 -5.704 11.797) 13.473 1.623 ( -9.501 6.883 5.555) 12.981 1.801 ( 4.372 -3.989 3.100) 6.681 1.880 ( -5.760 -1.763 5.799) 8.362 2.018 ( 2.630 -4.908 -3.348) 6.497 2.151 ( 1.484 9.696 0.540) 9.823 2.178 ( -0.461 -1.474 -0.317) 1.577 2.264 ( -0.348 0.935 -1.563) 1.855 2.314 ( 0.803 -0.905 -1.681) 2.072 2.389 ( -3.864 0.006 1.378) 4.102 2.536 ( 3.702 2.673 2.983) 5.454 2.569 ( -1.486 11.100 5.092) 12.302 2.664 ( 3.167 1.973 -0.986) 3.859 2.699 ( 2.885 0.193 2.704) 3.959 2.742 ( 5.218 -0.707 2.482) 5.821 2.797 ( 1.922 0.116 3.929) 4.376 2.909 ( 8.143 -3.021 -9.002) 12.509 2.925 ( 3.240 1.034 0.527) 3.442 3.121 ( 0.812 -1.379 -4.827) 5.085 3.153 ( 1.276 -3.998 -4.904) 6.455 3.183 ( -0.216 -2.569 2.763) 3.779 3.264 ( 0.800 0.079 -6.383) 6.434 3.316 ( 1.880 -6.479 2.810) 7.308 3.363 ( -2.771 0.664 -1.753) 3.346 3.391 ( -0.298 -4.611 1.962) 5.020 3.411 ( 2.585 -1.879 -0.500) 3.234 3.500 ( -1.359 0.252 3.117) 3.409 3.567 ( 4.851 4.450 -4.667) 8.069 3.648 ( -5.520 -0.466 -2.414) 6.043 3.685 ( -2.460 4.549 -1.865) 5.497 3.740 ( 3.615 -3.474 -7.682) 9.174 3.815 ( 1.124 0.513 -1.413) 1.877 3.836 ( -2.129 -4.619 1.588) 5.328 3.919 ( -6.132 -2.720 -5.708) 8.808 3.993 ( -1.266 0.017 1.332) 1.838 4.083 ( -1.013 2.405 0.468) 2.651 4.119 ( -3.131 -0.123 -1.182) 3.349 4.133 ( -2.526 2.054 -6.189) 6.993 4.241 ( -1.317 0.991 1.424) 2.178 4.328 ( -0.048 -0.707 -1.758) 1.895 4.474 ( 4.545 -0.576 -1.878) 4.952 4.517 ( -1.895 -5.826 -1.715) 6.362 4.539 ( -0.218 -6.872 -4.784) 8.376 4.607 ( 3.710 -0.174 3.667) 5.220 4.711 ( 4.963 -5.690 -1.560) 7.710 4.799 ( -4.169 -0.246 -1.779) 4.539 4.860 ( 2.790 -4.369 -2.536) 5.771 4.902 ( 1.331 -5.564 3.350) 6.630 4.995 ( -1.057 -4.070 5.188) 6.678 5.168 ( 1.646 -1.784 -0.532) 2.486 5.208 ( 0.018 6.976 -0.146) 6.978 5.287 ( 0.036 -1.147 1.223) 1.677 5.432 ( -0.070 0.010 3.697) 3.698 5.486 ( 3.626 2.666 0.763) 4.564 5.545 ( 0.736 -5.538 0.239) 5.592 5.614 ( 0.478 -1.190 -4.534) 4.712 5.686 ( 1.473 -1.732 2.816) 3.619 5.794 ( -0.228 -3.218 2.722) 4.221 5.822 ( 3.386 -2.292 -2.897) 5.011 5.969 ( -2.469 0.083 -0.027) 2.471 6.016 ( -1.268 -0.488 7.392) 7.516 6.096 ( 4.102 0.410 -2.812) 4.990 6.202 ( -0.616 -0.224 3.491) 3.552 6.390 ( -0.110 -0.195 -5.148) 5.152 6.424 ( -2.227 -1.400 -10.429) 10.756 6.544 ( -1.686 -1.214 5.389) 5.776 6.589 ( 1.731 0.642 3.794) 4.219 6.674 ( 2.911 1.991 6.179) 7.115 6.702 ( -2.405 -1.751 2.551) 3.919 6.816 ( 2.700 2.302 -5.334) 6.407 6.887 ( 4.294 -0.577 -5.021) 6.632 7.037 ( 1.790 -2.746 -2.973) 4.425 7.071 ( -3.983 3.841 -3.155) 6.369 7.134 ( 4.283 -3.155 1.708) 5.586 7.197 ( -1.066 9.105 5.446) 10.663 7.203 ( 0.269 0.518 5.107) 5.140 7.379 ( -1.859 1.373 -2.624) 3.497 7.425 ( -1.473 1.380 0.918) 2.217 7.505 ( 0.845 4.014 2.789) 4.960 7.616 ( -0.685 0.259 4.140) 4.204 7.661 ( -2.280 3.028 5.049) 6.314 7.690 ( -4.192 3.381 1.567) 5.609 7.764 ( 2.627 -3.110 -4.160) 5.820 7.887 ( 1.846 0.477 0.957) 2.133 7.986 ( -2.742 -5.142 3.699) 6.902 8.071 ( 1.632 2.178 -1.400) 3.060 8.138 ( 5.463 -1.435 0.714) 5.693 8.392 ( -2.460 4.761 -3.995) 6.684 8.468 ( 2.236 0.566 -2.580) 3.461 8.535 ( -6.819 5.120 -4.671) 9.722 8.701 ( -4.329 2.784 -0.744) 5.201 8.796 ( -0.081 -7.244 -0.521) 7.263 8.850 ( -7.558 -3.793 1.521) 8.592 9.363 ( -0.741 9.071 -2.756) 9.509 9.557 ( -4.981 3.166 0.909) 5.971 9.661 ( -1.815 -1.702 1.409) 2.860 9.890 ( -12.863 -10.607 3.777) 17.094 10.081 ( 1.114 3.182 0.854) 3.477 10.222 ( 4.157 -2.278 -0.720) 4.794 10.395 ( 0.838 4.708 -0.836) 4.855 10.574 ( -2.118 -4.261 -1.286) 4.929 12.957 ( 2.579 0.019 -2.300) 3.456 12.968 ( -0.155 -0.358 -0.548) 0.672 13.095 ( 1.370 2.635 1.426) 3.295 13.187 ( 4.510 -0.917 1.108) 4.734 13.272 ( 1.174 1.618 1.869) 2.736 13.301 ( 1.293 0.706 0.882) 1.717 13.334 ( 1.545 1.001 0.258) 1.859 13.395 ( 1.171 -1.529 -1.727) 2.587 14.015 ( -3.178 4.036 -1.246) 5.286 14.094 ( -3.879 -0.810 -2.513) 4.693 14.224 ( -2.887 -0.211 3.869) 4.832 14.287 ( -2.769 -1.762 3.473) 4.778 14.411 ( 4.312 1.966 -0.549) 4.771 14.518 ( 1.349 -3.638 -0.235) 3.887 14.701 ( -2.008 1.668 -1.282) 2.909 14.777 ( -4.359 -0.227 -5.134) 6.738 14.853 ( 1.315 4.418 -2.022) 5.034 14.905 ( -0.831 1.992 -1.682) 2.736 14.949 ( 1.597 -0.348 0.704) 1.780 15.029 ( 0.787 -2.378 1.909) 3.149 15.247 ( 1.872 3.182 -0.652) 3.749 15.317 ( 1.983 0.303 0.938) 2.214 15.539 ( 7.985 2.217 2.090) 8.546 15.593 ( 3.585 4.348 -0.450) 5.653 15.640 ( -1.556 -2.375 -0.290) 2.855 15.820 ( -7.984 -4.361 -1.147) 9.169 16.095 ( -9.854 4.079 2.988) 11.075 16.275 ( 2.606 2.205 -0.383) 3.435 16.476 ( 4.557 5.631 -0.055) 7.244 16.815 ( 5.733 -6.360 3.129) 9.116 16.972 ( 1.779 1.877 -0.530) 2.640 17.064 ( 1.152 -1.804 -0.274) 2.158 18.208 ( 0.554 0.016 0.655) 0.858 18.249 ( 0.280 -2.236 2.182) 3.137 18.428 ( -0.457 0.416 -1.091) 1.254 18.458 ( 0.904 -1.107 -0.707) 1.595 18.714 ( -0.421 2.218 2.861) 3.644 18.787 ( -0.971 -0.114 1.581) 1.859 18.892 ( -2.524 3.127 2.774) 4.883 18.974 ( -2.445 -0.766 -1.060) 2.773 19.004 ( -0.535 0.029 0.402) 0.669 19.075 ( -2.475 -3.463 0.622) 4.302 19.318 ( 5.993 3.172 -0.543) 6.803 19.415 ( 0.402 -2.255 -0.183) 2.298 19.635 ( 1.481 3.261 0.118) 3.583 19.763 ( -0.650 -3.043 1.735) 3.563 19.902 ( -1.569 1.568 -2.136) 3.079 20.006 ( -1.416 -2.342 -2.898) 3.986 20.460 ( -0.195 -0.902 -0.004) 0.923 20.589 ( -2.620 -6.905 2.503) 7.798 20.882 ( 4.872 1.120 -2.167) 5.448 20.985 ( 3.936 -5.029 -2.797) 6.973 21.362 ( 3.248 2.566 -0.747) 4.206 21.431 ( 1.933 -1.256 0.446) 2.348 21.540 ( 7.419 3.115 0.839) 8.090 21.628 ( 8.239 -1.100 0.256) 8.316 21.831 ( -0.310 0.279 1.123) 1.198 21.859 ( 0.105 -0.534 1.428) 1.528 21.923 ( -3.457 0.856 -0.409) 3.585 21.969 ( -2.111 -0.717 -0.540) 2.294 22.074 ( -2.941 1.388 -2.213) 3.933 22.082 ( -3.761 1.156 -2.365) 4.590 22.228 ( -5.748 0.259 0.805) 5.809 22.291 ( -5.932 -2.551 -0.330) 6.466 ======================= Grid point 67 (35/64) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( -7.626 -12.140 11.184) 18.183 0.998 ( -7.626 12.140 11.184) 18.183 1.377 ( 5.042 -14.282 14.896) 21.244 1.377 ( 5.042 14.282 14.896) 21.244 1.698 ( -0.250 -7.423 -2.638) 7.882 1.698 ( -0.250 7.423 -2.638) 7.882 1.927 ( -0.048 -0.859 1.732) 1.933 1.927 ( -0.048 0.859 1.732) 1.933 2.165 ( 3.041 -3.474 -6.045) 7.606 2.165 ( 3.041 3.474 -6.045) 7.606 2.299 ( -3.264 -2.323 4.162) 5.777 2.299 ( -3.264 2.323 4.162) 5.777 2.560 ( -3.934 -10.220 0.793) 10.980 2.560 ( -3.934 10.220 0.793) 10.980 2.688 ( 0.943 -2.754 2.810) 4.046 2.688 ( 0.943 2.754 2.810) 4.046 2.735 ( 0.451 -7.133 2.363) 7.528 2.735 ( 0.451 7.133 2.363) 7.528 2.931 ( -2.650 -12.632 -3.628) 13.407 2.931 ( -2.650 12.632 -3.628) 13.407 3.047 ( 3.551 -4.846 -0.471) 6.026 3.047 ( 3.551 4.846 -0.471) 6.026 3.164 ( 5.146 -3.690 -4.774) 7.930 3.164 ( 5.146 3.690 -4.774) 7.930 3.285 ( 3.018 -1.570 0.311) 3.416 3.285 ( 3.018 1.570 0.311) 3.416 3.333 ( -1.742 -3.763 1.501) 4.410 3.333 ( -1.742 3.763 1.501) 4.410 3.459 ( -2.289 -5.929 -1.455) 6.520 3.459 ( -2.289 5.929 -1.455) 6.520 3.610 ( 2.131 -1.956 -0.475) 2.931 3.610 ( 2.131 1.956 -0.475) 2.931 3.697 ( -2.515 -4.304 -2.988) 5.812 3.697 ( -2.515 4.304 -2.988) 5.812 3.757 ( 1.711 -1.848 -3.135) 4.022 3.757 ( 1.711 1.848 -3.135) 4.022 3.922 ( -0.553 -4.484 -4.375) 6.289 3.922 ( -0.553 4.484 -4.375) 6.289 4.036 ( -3.857 -3.480 -5.469) 7.542 4.036 ( -3.857 3.480 -5.469) 7.542 4.183 ( 2.378 -3.666 3.559) 5.636 4.183 ( 2.378 3.666 3.559) 5.636 4.312 ( -4.003 -6.262 -2.032) 7.706 4.312 ( -4.003 6.262 -2.032) 7.706 4.549 ( 3.086 -4.055 -0.323) 5.106 4.549 ( 3.086 4.055 -0.323) 5.106 4.653 ( -1.061 -5.751 0.127) 5.849 4.653 ( -1.061 5.751 0.127) 5.849 4.829 ( -0.632 -3.264 -0.374) 3.346 4.829 ( -0.632 3.264 -0.374) 3.346 4.880 ( 0.819 -5.807 1.944) 6.178 4.880 ( 0.819 5.807 1.944) 6.178 5.202 ( 2.314 -3.898 2.288) 5.077 5.202 ( 2.314 3.898 2.288) 5.077 5.351 ( -1.075 -4.916 1.657) 5.297 5.351 ( -1.075 4.916 1.657) 5.297 5.531 ( -0.104 -0.587 1.850) 1.943 5.531 ( -0.104 0.587 1.850) 1.943 5.729 ( 2.627 -0.850 -0.023) 2.761 5.729 ( 2.627 0.850 -0.023) 2.761 5.818 ( 0.849 -2.525 4.133) 4.917 5.818 ( 0.849 2.525 4.133) 4.917 5.944 ( -2.026 -3.383 -2.513) 4.676 5.944 ( -2.026 3.383 -2.513) 4.676 6.140 ( -0.887 -2.605 -0.993) 2.926 6.140 ( -0.887 2.605 -0.993) 2.926 6.345 ( -5.541 -5.779 -4.912) 9.393 6.345 ( -5.541 5.779 -4.912) 9.393 6.555 ( 2.755 -1.279 -1.517) 3.395 6.555 ( 2.755 1.279 -1.517) 3.395 6.714 ( 0.172 -1.820 2.696) 3.257 6.714 ( 0.172 1.820 2.696) 3.257 6.934 ( 0.577 -2.001 -4.575) 5.027 6.934 ( 0.577 2.001 -4.575) 5.027 6.997 ( -2.730 -2.701 -6.948) 7.939 6.997 ( -2.730 2.701 -6.948) 7.939 7.172 ( -0.930 -1.553 2.826) 3.356 7.172 ( -0.930 1.553 2.826) 3.356 7.367 ( 1.725 -4.017 0.993) 4.483 7.367 ( 1.725 4.017 0.993) 4.483 7.520 ( 1.945 -4.011 7.731) 8.924 7.520 ( 1.945 4.011 7.731) 8.924 7.633 ( -0.765 -2.643 4.187) 5.010 7.633 ( -0.765 2.643 4.187) 5.010 7.715 ( 3.265 -3.369 6.902) 8.345 7.715 ( 3.265 3.369 6.902) 8.345 7.940 ( 0.905 -1.028 -1.874) 2.321 7.940 ( 0.905 1.028 -1.874) 2.321 8.161 ( -0.056 -3.244 -0.046) 3.245 8.161 ( -0.056 3.244 -0.046) 3.245 8.413 ( -0.094 -2.709 -1.085) 2.919 8.413 ( -0.094 2.709 -1.085) 2.919 8.605 ( -0.842 -7.452 -3.263) 8.178 8.605 ( -0.842 7.452 -3.263) 8.178 8.701 ( -1.238 -3.321 -4.043) 5.377 8.701 ( -1.238 3.321 -4.043) 5.377 9.413 ( -5.560 -5.047 5.675) 9.412 9.413 ( -5.560 5.047 5.675) 9.412 9.694 ( 3.918 -7.032 -2.194) 8.344 9.694 ( 3.918 7.032 -2.194) 8.344 10.233 ( 2.733 -4.393 0.975) 5.265 10.233 ( 2.733 4.393 0.975) 5.265 10.453 ( -2.453 -3.635 -2.224) 4.918 10.453 ( -2.453 3.635 -2.224) 4.918 12.969 ( 0.055 -0.700 -1.715) 1.853 12.969 ( 0.055 0.700 -1.715) 1.853 13.170 ( -1.110 -3.156 1.316) 3.595 13.170 ( -1.110 3.156 1.316) 3.595 13.330 ( 0.747 -0.812 1.515) 1.874 13.330 ( 0.747 0.812 1.515) 1.874 13.387 ( 1.028 -1.916 0.215) 2.184 13.387 ( 1.028 1.916 0.215) 2.184 14.026 ( -0.886 -0.826 -2.314) 2.612 14.026 ( -0.886 0.826 -2.314) 2.612 14.207 ( 0.001 -1.920 2.968) 3.535 14.207 ( 0.001 1.920 2.968) 3.535 14.493 ( 0.449 -2.293 0.091) 2.338 14.493 ( 0.449 2.293 0.091) 2.338 14.707 ( 0.235 -1.249 -2.064) 2.424 14.707 ( 0.235 1.249 -2.064) 2.424 14.920 ( -1.281 -2.081 -1.915) 3.105 14.920 ( -1.281 2.081 -1.915) 3.105 14.955 ( -0.114 -3.633 -1.595) 3.970 14.955 ( -0.114 3.633 -1.595) 3.970 15.340 ( 0.591 -2.062 1.591) 2.671 15.340 ( 0.591 2.062 1.591) 2.671 15.617 ( -2.045 -3.240 -0.392) 3.851 15.617 ( -2.045 3.240 -0.392) 3.851 15.729 ( 5.968 -0.911 4.598) 7.589 15.729 ( 5.968 0.911 4.598) 7.589 16.079 ( -3.202 -9.090 -2.569) 9.974 16.079 ( -3.202 9.090 -2.569) 9.974 16.787 ( 1.372 -5.650 4.131) 7.132 16.787 ( 1.372 5.650 4.131) 7.132 17.021 ( 0.636 -4.439 -2.192) 4.991 17.021 ( 0.636 4.439 -2.192) 4.991 18.225 ( -0.022 -0.783 1.792) 1.956 18.225 ( -0.022 0.783 1.792) 1.956 18.436 ( -0.309 -1.603 -1.599) 2.285 18.436 ( -0.309 1.603 -1.599) 2.285 18.741 ( -1.363 -1.948 2.574) 3.504 18.741 ( -1.363 1.948 2.574) 3.504 18.903 ( -0.364 -2.250 0.846) 2.431 18.903 ( -0.364 2.250 0.846) 2.431 19.018 ( 0.280 -1.224 0.621) 1.400 19.018 ( 0.280 1.224 0.621) 1.400 19.409 ( 0.163 -0.428 0.118) 0.473 19.409 ( 0.163 0.428 0.118) 0.473 19.709 ( -1.329 -1.823 1.226) 2.568 19.709 ( -1.329 1.823 1.226) 2.568 19.947 ( 2.156 -2.790 -2.463) 4.301 19.947 ( 2.156 2.790 -2.463) 4.301 20.463 ( -0.718 -2.214 0.323) 2.350 20.463 ( -0.718 2.214 0.323) 2.350 20.962 ( 0.483 -1.960 -3.077) 3.680 20.962 ( 0.483 1.960 -3.077) 3.680 21.446 ( 1.377 -0.307 1.912) 2.376 21.446 ( 1.377 0.307 1.912) 2.376 21.667 ( -3.895 -0.848 -2.645) 4.784 21.667 ( -3.895 0.848 -2.645) 4.784 21.838 ( 0.228 -0.818 0.649) 1.069 21.838 ( 0.228 0.818 0.649) 1.069 21.904 ( 0.684 -1.508 -0.585) 1.756 21.904 ( 0.684 1.508 -0.585) 1.756 22.081 ( 2.056 -0.543 -0.900) 2.309 22.081 ( 2.056 0.543 -0.900) 2.309 22.165 ( -1.043 -1.379 0.804) 1.907 22.165 ( -1.043 1.379 0.804) 1.907 ======================= Grid point 69 (36/64) ======================= q-point: ( 0.17 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( 3.183 -10.974 4.092) 12.137 0.953 ( 3.183 10.974 4.092) 12.137 1.526 ( 6.969 -9.663 14.058) 18.428 1.526 ( 6.969 9.663 14.058) 18.428 1.668 ( -2.655 -5.039 0.463) 5.715 1.668 ( -2.655 5.039 0.463) 5.715 1.911 ( -0.383 -7.571 3.205) 8.231 1.911 ( -0.383 7.571 3.205) 8.231 2.157 ( -5.735 -5.463 -4.231) 8.980 2.157 ( -5.735 5.463 -4.231) 8.980 2.281 ( 0.944 -1.606 0.260) 1.881 2.281 ( 0.944 1.606 0.260) 1.881 2.507 ( 0.819 -3.942 -0.834) 4.112 2.507 ( 0.819 3.942 -0.834) 4.112 2.628 ( -6.119 -3.224 -2.416) 7.326 2.628 ( -6.119 3.224 -2.416) 7.326 2.750 ( -2.302 -2.609 1.315) 3.720 2.750 ( -2.302 2.609 1.315) 3.720 2.885 ( 0.412 -11.685 5.216) 12.803 2.885 ( 0.412 11.685 5.216) 12.803 3.047 ( -2.925 -7.181 -0.729) 7.788 3.047 ( -2.925 7.181 -0.729) 7.788 3.199 ( -2.693 -4.043 0.287) 4.866 3.199 ( -2.693 4.043 0.287) 4.866 3.303 ( 2.059 -3.726 -0.743) 4.322 3.303 ( 2.059 3.726 -0.743) 4.322 3.362 ( 1.907 -3.826 3.197) 5.338 3.362 ( 1.907 3.826 3.197) 5.338 3.445 ( 0.759 -6.234 -4.471) 7.709 3.445 ( 0.759 6.234 -4.471) 7.709 3.652 ( 5.427 -3.587 -4.886) 8.136 3.652 ( 5.427 3.587 -4.886) 8.136 3.708 ( -0.359 -3.302 2.329) 4.057 3.708 ( -0.359 3.302 2.329) 4.057 3.789 ( 1.534 -3.319 -3.191) 4.853 3.789 ( 1.534 3.319 -3.191) 4.853 3.901 ( 2.298 -1.711 -5.607) 6.297 3.901 ( 2.298 1.711 -5.607) 6.297 4.019 ( 1.714 -4.500 -6.757) 8.297 4.019 ( 1.714 4.500 -6.757) 8.297 4.197 ( -4.261 -7.825 1.900) 9.111 4.197 ( -4.261 7.825 1.900) 9.111 4.272 ( 2.889 -3.352 2.930) 5.308 4.272 ( 2.889 3.352 2.930) 5.308 4.549 ( -3.812 -2.992 -1.560) 5.091 4.549 ( -3.812 2.992 -1.560) 5.091 4.630 ( -0.857 -3.696 1.675) 4.147 4.630 ( -0.857 3.696 1.675) 4.147 4.806 ( -1.008 -4.665 0.802) 4.839 4.806 ( -1.008 4.665 0.802) 4.839 4.912 ( 1.696 -5.882 -5.542) 8.258 4.912 ( 1.696 5.882 -5.542) 8.258 5.281 ( 4.517 -4.797 1.654) 6.794 5.281 ( 4.517 4.797 1.654) 6.794 5.341 ( 0.152 -4.193 3.989) 5.789 5.341 ( 0.152 4.193 3.989) 5.789 5.493 ( -3.644 -1.521 3.218) 5.094 5.493 ( -3.644 1.521 3.218) 5.094 5.728 ( -1.384 -4.479 -2.064) 5.122 5.728 ( -1.384 4.479 -2.064) 5.122 5.809 ( -1.402 -2.773 3.493) 4.675 5.809 ( -1.402 2.773 3.493) 4.675 5.927 ( -1.477 -0.826 -1.993) 2.615 5.927 ( -1.477 0.826 -1.993) 2.615 6.116 ( -1.333 -4.364 -3.699) 5.874 6.116 ( -1.333 4.364 -3.699) 5.874 6.259 ( -1.021 -3.992 -1.328) 4.329 6.259 ( -1.021 3.992 -1.328) 4.329 6.592 ( 0.789 -1.998 1.950) 2.902 6.592 ( 0.789 1.998 1.950) 2.902 6.678 ( -5.276 -2.009 0.629) 5.681 6.678 ( -5.276 2.009 0.629) 5.681 6.877 ( -1.999 -2.053 -0.590) 2.926 6.877 ( -1.999 2.053 -0.590) 2.926 6.972 ( 0.795 -0.386 -5.785) 5.852 6.972 ( 0.795 0.386 -5.785) 5.852 7.189 ( 1.183 -3.607 3.157) 4.938 7.189 ( 1.183 3.607 3.157) 4.938 7.403 ( 1.986 -3.290 -1.788) 4.239 7.403 ( 1.986 3.290 -1.788) 4.239 7.516 ( -1.886 -2.496 4.965) 5.868 7.516 ( -1.886 2.496 4.965) 5.868 7.652 ( -0.225 -3.918 2.483) 4.644 7.652 ( -0.225 3.918 2.483) 4.644 7.821 ( 5.220 -5.341 5.834) 9.477 7.821 ( 5.220 5.341 5.834) 9.477 7.948 ( 0.275 -1.406 0.405) 1.489 7.948 ( 0.275 1.406 0.405) 1.489 8.111 ( -3.170 -3.796 2.610) 5.592 8.111 ( -3.170 3.796 2.610) 5.592 8.456 ( 0.407 -2.668 -5.438) 6.071 8.456 ( 0.407 2.668 -5.438) 6.071 8.611 ( 4.064 -1.361 -0.935) 4.387 8.611 ( 4.064 1.361 -0.935) 4.387 8.743 ( 5.124 -3.317 -3.881) 7.233 8.743 ( 5.124 3.317 -3.881) 7.233 9.361 ( 0.691 -6.108 0.711) 6.189 9.361 ( 0.691 6.109 0.711) 6.189 9.815 ( 7.021 -6.525 0.908) 9.628 9.815 ( 7.021 6.525 0.908) 9.628 10.265 ( -0.328 -4.630 3.730) 5.955 10.265 ( -0.328 4.630 3.730) 5.955 10.397 ( -1.956 -3.616 -4.568) 6.145 10.397 ( -1.956 3.616 -4.568) 6.145 12.963 ( -0.249 -1.916 -1.317) 2.338 12.963 ( -0.249 1.916 -1.317) 2.338 13.119 ( -3.352 -1.702 1.209) 3.949 13.119 ( -3.352 1.702 1.209) 3.949 13.322 ( -1.521 -1.191 0.873) 2.120 13.322 ( -1.521 1.191 0.873) 2.120 13.387 ( -1.491 -2.244 0.231) 2.704 13.387 ( -1.491 2.244 0.231) 2.704 14.040 ( 2.417 -1.472 -1.690) 3.296 14.040 ( 2.417 1.472 -1.690) 3.296 14.254 ( 3.625 -1.138 2.810) 4.726 14.254 ( 3.625 1.138 2.810) 4.726 14.479 ( -0.941 -2.925 0.458) 3.107 14.479 ( -0.941 2.925 0.458) 3.107 14.727 ( 0.749 -0.800 -2.396) 2.635 14.727 ( 0.749 0.800 -2.396) 2.635 14.885 ( -1.971 -3.283 -1.068) 3.975 14.885 ( -1.971 3.283 -1.068) 3.975 14.954 ( 0.974 -3.104 -2.318) 3.995 14.954 ( 0.974 3.104 -2.318) 3.995 15.335 ( -0.976 -3.076 1.207) 3.446 15.335 ( -0.976 3.076 1.207) 3.446 15.576 ( -2.887 -4.484 1.885) 5.657 15.576 ( -2.887 4.484 1.885) 5.657 15.818 ( 2.835 -7.842 1.022) 8.401 15.818 ( 2.835 7.842 1.022) 8.401 16.111 ( 6.292 -5.913 -0.904) 8.682 16.111 ( 6.292 5.913 -0.904) 8.682 16.716 ( -7.173 -5.790 2.619) 9.583 16.716 ( -7.173 5.790 2.619) 9.583 17.034 ( -0.631 -2.596 0.029) 2.672 17.034 ( -0.631 2.596 0.029) 2.672 18.219 ( -0.794 -0.259 2.039) 2.203 18.219 ( -0.794 0.259 2.039) 2.203 18.429 ( 0.014 -2.351 -2.680) 3.565 18.429 ( 0.014 2.351 -2.680) 3.565 18.723 ( -0.525 -1.459 2.401) 2.858 18.723 ( -0.525 1.459 2.401) 2.858 18.940 ( 3.647 -3.784 0.653) 5.296 18.940 ( 3.647 3.784 0.653) 5.296 19.029 ( 0.632 -1.019 0.342) 1.246 19.029 ( 0.632 1.019 0.342) 1.246 19.379 ( -2.962 -2.804 0.127) 4.081 19.379 ( -2.962 2.804 0.127) 4.081 19.670 ( -2.011 -1.591 0.008) 2.564 19.670 ( -2.011 1.591 0.008) 2.564 20.002 ( 2.594 -0.580 -0.990) 2.836 20.002 ( 2.594 0.580 -0.990) 2.836 20.467 ( 1.534 -0.784 0.139) 1.729 20.467 ( 1.534 0.784 0.139) 1.729 20.918 ( -4.296 -1.431 -2.347) 5.100 20.918 ( -4.296 1.431 -2.347) 5.100 21.433 ( -3.536 -1.192 0.915) 3.842 21.433 ( -3.536 1.192 0.915) 3.842 21.533 ( -5.694 -1.609 -1.047) 6.009 21.533 ( -5.694 1.609 -1.047) 6.009 21.848 ( 0.735 -0.560 1.346) 1.632 21.848 ( 0.735 0.560 1.346) 1.632 21.939 ( 1.608 -0.830 -1.008) 2.072 21.939 ( 1.608 0.830 -1.008) 2.072 22.104 ( 1.673 -0.928 -1.698) 2.558 22.104 ( 1.673 0.928 -1.698) 2.558 22.252 ( 6.578 -1.720 0.648) 6.831 22.252 ( 6.578 1.720 0.648) 6.831 ======================= Grid point 71 (37/64) ======================= q-point: ( 0.33 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( 10.969 -9.582 -5.007) 15.401 1.112 ( 10.969 9.582 -5.007) 15.401 1.570 ( -1.441 -4.759 0.214) 4.977 1.570 ( -1.441 4.759 0.214) 4.977 1.748 ( 8.166 -5.707 10.182) 14.245 1.748 ( 8.166 5.707 10.182) 14.245 1.887 ( -4.157 -6.053 2.875) 7.886 1.887 ( -4.157 6.053 2.875) 7.886 2.049 ( -2.032 -4.065 -1.477) 4.779 2.049 ( -2.032 4.065 -1.477) 4.779 2.232 ( -5.750 -1.556 -0.162) 5.959 2.232 ( -5.750 1.556 -0.162) 5.959 2.462 ( -4.090 -0.580 -2.742) 4.958 2.462 ( -4.090 0.580 -2.742) 4.958 2.575 ( -2.370 -3.582 0.726) 4.356 2.575 ( -2.370 3.582 0.726) 4.356 2.662 ( -3.274 -2.264 0.817) 4.063 2.662 ( -3.274 2.264 0.817) 4.063 2.897 ( -1.450 -4.439 10.381) 11.383 2.897 ( -1.450 4.439 10.381) 11.383 3.013 ( -0.338 -6.791 1.227) 6.909 3.013 ( -0.338 6.791 1.227) 6.909 3.146 ( -0.363 -5.844 -1.070) 5.952 3.146 ( -0.363 5.844 -1.070) 5.952 3.337 ( -1.253 -5.191 1.945) 5.684 3.337 ( -1.253 5.191 1.945) 5.684 3.386 ( 3.411 -5.517 -2.366) 6.905 3.386 ( 3.411 5.517 -2.366) 6.905 3.511 ( 4.475 -0.618 -0.818) 4.590 3.511 ( 4.475 0.618 -0.818) 4.590 3.656 ( -3.484 -4.063 -5.957) 8.008 3.656 ( -3.484 4.063 -5.957) 8.008 3.694 ( -0.859 -0.556 -2.348) 2.561 3.694 ( -0.859 0.556 -2.348) 2.561 3.854 ( 2.814 -3.424 -3.162) 5.444 3.854 ( 2.814 3.424 -3.162) 5.444 3.978 ( 2.625 -3.220 -2.098) 4.654 3.978 ( 2.625 3.220 -2.098) 4.654 4.073 ( 5.471 -3.947 -1.783) 6.977 4.073 ( 5.471 3.947 -1.783) 6.977 4.165 ( 2.646 -9.860 4.258) 11.061 4.165 ( 2.646 9.860 4.258) 11.061 4.315 ( 0.820 -2.971 0.105) 3.084 4.315 ( 0.820 2.971 0.105) 3.084 4.445 ( -4.593 -4.326 -3.718) 7.323 4.445 ( -4.593 4.326 -3.718) 7.323 4.598 ( -2.801 -4.189 2.612) 5.676 4.598 ( -2.801 4.189 2.612) 5.676 4.774 ( -2.180 -2.830 -3.957) 5.331 4.774 ( -2.180 2.830 -3.957) 5.331 4.935 ( 1.223 -2.054 -3.640) 4.354 4.935 ( 1.223 2.054 -3.640) 4.354 5.302 ( -1.479 -0.797 3.196) 3.611 5.302 ( -1.479 0.797 3.196) 3.611 5.425 ( 5.436 -1.494 2.300) 6.088 5.425 ( 5.436 1.494 2.300) 6.088 5.440 ( -0.931 -2.409 -0.340) 2.605 5.440 ( -0.931 2.409 -0.340) 2.605 5.681 ( -3.104 -2.541 -4.202) 5.809 5.681 ( -3.104 2.541 -4.202) 5.810 5.792 ( -2.088 -4.887 1.926) 5.653 5.792 ( -2.088 4.887 1.926) 5.653 5.875 ( -0.589 -0.791 -2.677) 2.853 5.875 ( -0.589 0.791 -2.677) 2.853 6.078 ( -1.738 -6.225 -2.147) 6.811 6.078 ( -1.738 6.225 -2.147) 6.811 6.285 ( 2.043 -1.081 4.992) 5.501 6.285 ( 2.043 1.081 4.992) 5.501 6.534 ( -5.487 -4.089 4.669) 8.284 6.534 ( -5.487 4.089 4.669) 8.284 6.629 ( 1.038 -3.887 -0.087) 4.024 6.629 ( 1.038 3.887 -0.087) 4.024 6.881 ( 1.485 -2.447 -2.529) 3.819 6.881 ( 1.485 2.447 -2.529) 3.819 7.006 ( 2.420 -3.059 1.725) 4.266 7.006 ( 2.420 3.059 1.725) 4.266 7.167 ( -3.148 -3.332 3.568) 5.809 7.167 ( -3.148 3.332 3.568) 5.809 7.461 ( 0.532 -0.480 -0.618) 0.946 7.461 ( 0.532 0.480 -0.618) 0.946 7.496 ( 1.937 -5.716 0.933) 6.107 7.496 ( 1.937 5.716 0.933) 6.107 7.602 ( -3.937 -3.748 -2.459) 5.966 7.602 ( -3.937 3.748 -2.459) 5.966 7.877 ( 0.018 -2.105 0.334) 2.132 7.877 ( 0.018 2.105 0.334) 2.132 7.973 ( 0.890 -1.392 1.243) 2.067 7.973 ( 0.890 1.392 1.243) 2.067 8.105 ( 3.032 -3.503 6.368) 7.875 8.105 ( 3.032 3.503 6.368) 7.875 8.378 ( -5.755 -3.800 -5.163) 8.615 8.378 ( -5.755 3.800 -5.163) 8.615 8.707 ( 3.414 -4.442 -2.898) 6.308 8.707 ( 3.414 4.442 -2.898) 6.308 8.858 ( 5.556 -5.010 0.073) 7.481 8.858 ( 5.556 5.010 0.073) 7.481 9.446 ( 7.135 -7.648 -3.715) 11.099 9.446 ( 7.135 7.648 -3.715) 11.099 9.930 ( 3.466 -3.536 1.008) 5.053 9.930 ( 3.466 3.536 1.008) 5.053 10.218 ( -4.429 -5.208 5.798) 8.964 10.218 ( -4.429 5.208 5.798) 8.964 10.390 ( 1.730 -3.378 -4.581) 5.949 10.390 ( 1.730 3.378 -4.581) 5.949 12.960 ( -0.159 -2.841 0.470) 2.884 12.960 ( -0.159 2.841 0.470) 2.884 13.068 ( -1.196 -2.317 -0.753) 2.714 13.068 ( -1.196 2.317 -0.753) 2.714 13.282 ( -2.459 -1.358 1.145) 3.034 13.282 ( -2.459 1.358 1.145) 3.034 13.340 ( -2.442 -1.559 -0.594) 2.957 13.340 ( -2.442 1.559 -0.594) 2.957 14.101 ( 3.342 -2.142 -0.770) 4.043 14.101 ( 3.342 2.142 -0.770) 4.043 14.309 ( 0.491 -0.634 2.267) 2.404 14.309 ( 0.491 0.634 2.267) 2.404 14.504 ( 3.886 -2.987 2.136) 5.346 14.504 ( 3.886 2.987 2.136) 5.346 14.688 ( -4.040 -1.644 -2.784) 5.174 14.688 ( -4.040 1.644 -2.784) 5.174 14.868 ( 0.552 -3.674 -0.125) 3.717 14.868 ( 0.552 3.674 -0.125) 3.717 14.982 ( 1.635 -2.571 -2.715) 4.081 14.982 ( 1.635 2.571 -2.715) 4.081 15.311 ( -1.509 -3.861 0.064) 4.146 15.311 ( -1.509 3.861 0.064) 4.146 15.502 ( -3.990 -2.754 0.924) 4.935 15.502 ( -3.990 2.754 0.924) 4.935 15.894 ( 4.858 -6.567 -1.021) 8.232 15.894 ( 4.858 6.567 -1.021) 8.232 16.244 ( 4.637 -4.370 1.592) 6.568 16.244 ( 4.637 4.370 1.592) 6.568 16.574 ( -5.737 -6.021 1.723) 8.493 16.574 ( -5.737 6.021 1.723) 8.493 16.981 ( -4.101 -3.670 1.390) 5.676 16.981 ( -4.101 3.670 1.390) 5.676 18.206 ( -0.568 -0.691 1.840) 2.046 18.206 ( -0.568 0.691 1.840) 2.046 18.428 ( 0.271 -2.418 -3.802) 4.514 18.428 ( 0.271 2.418 -3.802) 4.514 18.729 ( 0.631 -1.821 3.080) 3.633 18.729 ( 0.631 1.821 3.080) 3.633 19.023 ( 2.774 -2.168 0.136) 3.523 19.023 ( 2.774 2.168 0.136) 3.523 19.047 ( 2.406 -2.259 -0.309) 3.315 19.047 ( 2.406 2.259 -0.309) 3.315 19.303 ( -4.225 -4.758 -0.113) 6.364 19.303 ( -4.225 4.758 -0.113) 6.364 19.642 ( -0.752 -0.561 -0.154) 0.951 19.642 ( -0.752 0.561 -0.154) 0.951 20.025 ( -0.168 -2.675 -0.602) 2.747 20.025 ( -0.168 2.675 -0.602) 2.747 20.535 ( 4.935 -0.408 0.525) 4.979 20.535 ( 4.935 0.408 0.525) 4.979 20.808 ( -5.776 -2.431 -1.249) 6.390 20.808 ( -5.776 2.431 -1.249) 6.390 21.338 ( -4.486 -1.210 -0.672) 4.695 21.338 ( -4.486 1.210 -0.672) 4.695 21.464 ( -1.933 -1.052 0.121) 2.204 21.464 ( -1.933 1.052 0.121) 2.204 21.863 ( 0.239 -0.399 1.172) 1.261 21.863 ( 0.239 0.399 1.172) 1.261 21.967 ( 1.431 -0.557 0.575) 1.640 21.967 ( 1.431 0.557 0.575) 1.640 22.149 ( 2.560 -0.505 -2.712) 3.763 22.149 ( 2.560 0.505 -2.712) 3.763 22.358 ( 3.513 -1.666 0.571) 3.930 22.358 ( 3.513 1.666 0.571) 3.930 ======================= Grid point 73 (38/64) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( 3.886 -6.729 -9.074) 11.946 1.274 ( 3.886 6.729 -9.074) 11.946 1.595 ( 2.213 -3.276 -0.612) 4.000 1.595 ( 2.213 3.276 -0.612) 4.000 1.745 ( -4.896 -1.408 0.994) 5.191 1.745 ( -4.896 1.408 0.994) 5.191 1.852 ( -2.958 -5.333 1.061) 6.190 1.852 ( -2.958 5.333 1.061) 6.190 2.092 ( 5.818 -6.443 5.337) 10.190 2.092 ( 5.818 6.443 5.337) 10.190 2.182 ( 2.750 -5.960 5.705) 8.696 2.182 ( 2.750 5.960 5.705) 8.696 2.390 ( -2.555 -1.095 0.046) 2.780 2.390 ( -2.555 1.095 0.046) 2.780 2.501 ( -2.528 -4.813 -1.037) 5.535 2.501 ( -2.528 4.813 -1.037) 5.535 2.623 ( -1.892 -1.586 3.769) 4.505 2.623 ( -1.892 1.586 3.769) 4.505 2.913 ( 1.118 -2.698 10.315) 10.721 2.913 ( 1.118 2.698 10.315) 10.721 3.001 ( -0.032 -6.565 0.553) 6.588 3.001 ( -0.032 6.565 0.553) 6.588 3.188 ( 3.196 -2.360 -1.131) 4.131 3.188 ( 3.196 2.360 -1.131) 4.131 3.257 ( -6.259 -8.467 -4.232) 11.348 3.257 ( -6.259 8.467 -4.232) 11.348 3.442 ( -0.428 -5.425 -0.397) 5.456 3.442 ( -0.428 5.425 -0.397) 5.456 3.507 ( -1.728 -3.114 0.518) 3.598 3.507 ( -1.728 3.114 0.518) 3.598 3.640 ( 0.877 -5.464 -6.561) 8.583 3.640 ( 0.877 5.464 -6.561) 8.583 3.706 ( 1.391 -2.580 -5.034) 5.825 3.706 ( 1.391 2.580 -5.034) 5.825 3.813 ( -1.385 -1.741 0.415) 2.263 3.813 ( -1.385 1.741 0.415) 2.263 4.027 ( 0.714 -1.448 -0.664) 1.746 4.027 ( 0.714 1.448 -0.664) 1.746 4.150 ( 1.567 -5.029 1.260) 5.416 4.150 ( 1.567 5.029 1.260) 5.416 4.257 ( 2.040 -5.079 4.742) 7.241 4.257 ( 2.040 5.079 4.742) 7.242 4.344 ( 3.302 -3.157 -1.584) 4.836 4.344 ( 3.302 3.157 -1.584) 4.836 4.395 ( 0.560 -4.958 -3.524) 6.109 4.395 ( 0.560 4.958 -3.524) 6.109 4.576 ( 0.945 -2.615 0.569) 2.838 4.576 ( 0.945 2.615 0.569) 2.838 4.710 ( -2.740 -1.213 -6.039) 6.742 4.710 ( -2.740 1.213 -6.039) 6.742 4.945 ( 0.251 -5.015 3.222) 5.966 4.945 ( 0.251 5.015 3.222) 5.966 5.259 ( -3.323 -3.314 -2.089) 5.137 5.259 ( -3.323 3.314 -2.089) 5.137 5.432 ( -0.233 -3.541 -1.086) 3.711 5.432 ( -0.233 3.541 -1.086) 3.711 5.507 ( 2.119 -5.069 -1.841) 5.794 5.507 ( 2.119 5.069 -1.841) 5.794 5.604 ( -3.489 -3.231 -3.243) 5.756 5.604 ( -3.489 3.231 -3.243) 5.756 5.739 ( -1.501 -2.578 -0.470) 3.021 5.739 ( -1.501 2.578 -0.470) 3.021 5.910 ( 2.881 -4.311 -6.515) 8.327 5.910 ( 2.881 4.311 -6.515) 8.327 6.076 ( 1.678 -6.207 6.646) 9.247 6.076 ( 1.678 6.207 6.646) 9.247 6.339 ( 2.927 -0.986 6.950) 7.606 6.339 ( 2.927 0.986 6.950) 7.606 6.491 ( 0.218 -4.494 6.767) 8.126 6.491 ( 0.218 4.494 6.767) 8.126 6.643 ( 0.503 -1.592 -1.415) 2.189 6.643 ( 0.503 1.592 -1.415) 2.189 6.899 ( -0.891 -1.788 -2.785) 3.428 6.899 ( -0.891 1.788 -2.785) 3.428 7.009 ( -2.619 -1.178 7.646) 8.167 7.009 ( -2.619 1.178 7.646) 8.167 7.158 ( 2.854 -3.507 -2.231) 5.042 7.158 ( 2.854 3.507 -2.231) 5.042 7.419 ( -2.483 -2.482 1.971) 4.026 7.419 ( -2.483 2.482 1.971) 4.026 7.499 ( -3.082 -2.162 1.980) 4.254 7.499 ( -3.082 2.162 1.980) 4.254 7.591 ( 3.259 -6.165 -6.863) 9.784 7.591 ( 3.259 6.165 -6.863) 9.784 7.851 ( -2.261 -4.426 0.628) 5.010 7.851 ( -2.261 4.426 0.628) 5.010 7.988 ( 1.152 -2.769 -0.805) 3.105 7.988 ( 1.152 2.769 -0.805) 3.105 8.150 ( -4.081 -3.309 4.018) 6.614 8.150 ( -4.081 3.309 4.018) 6.614 8.301 ( 2.581 -1.918 -2.530) 4.092 8.301 ( 2.581 1.918 -2.530) 4.092 8.737 ( 0.407 -3.980 -3.483) 5.305 8.737 ( 0.407 3.980 -3.483) 5.305 8.925 ( 0.740 -5.965 1.677) 6.240 8.925 ( 0.740 5.965 1.677) 6.240 9.567 ( 3.660 -4.630 -5.100) 7.800 9.567 ( 3.660 4.630 -5.100) 7.800 9.958 ( 0.313 -3.558 -0.886) 3.680 9.958 ( 0.313 3.558 -0.886) 3.680 10.126 ( -5.331 -6.352 6.268) 10.395 10.126 ( -5.331 6.352 6.268) 10.395 10.436 ( 2.846 -5.633 -2.149) 6.667 10.436 ( 2.846 5.633 -2.149) 6.667 12.948 ( -0.989 -3.334 1.303) 3.714 12.948 ( -0.989 3.334 1.303) 3.714 13.079 ( 1.879 -2.090 -2.118) 3.519 13.079 ( 1.879 2.090 -2.118) 3.520 13.242 ( -1.106 -1.496 1.579) 2.440 13.242 ( -1.106 1.496 1.579) 2.440 13.312 ( -0.135 -1.252 -0.798) 1.491 13.312 ( -0.135 1.252 -0.798) 1.491 14.149 ( 0.933 -0.610 -0.153) 1.125 14.149 ( 0.933 0.610 -0.153) 1.125 14.300 ( -0.480 -1.495 1.364) 2.080 14.300 ( -0.480 1.495 1.364) 2.080 14.539 ( -4.273 -3.104 1.421) 5.469 14.539 ( -4.273 3.104 1.421) 5.469 14.664 ( 4.965 -0.141 0.209) 4.972 14.664 ( 4.965 0.141 0.209) 4.972 14.888 ( 0.821 -3.926 0.448) 4.036 14.888 ( 0.821 3.926 0.448) 4.036 14.999 ( 0.428 -2.635 -2.960) 3.986 14.999 ( 0.428 2.635 -2.960) 3.986 15.271 ( -2.221 -3.627 -2.245) 4.809 15.271 ( -2.221 3.627 -2.245) 4.809 15.454 ( -0.392 -1.207 0.074) 1.271 15.454 ( -0.392 1.207 0.074) 1.271 15.961 ( -0.326 -4.656 0.384) 4.683 15.961 ( -0.326 4.656 0.384) 4.683 16.268 ( 0.492 -3.537 -0.977) 3.702 16.268 ( 0.492 3.537 -0.977) 3.702 16.523 ( -1.512 -3.238 3.775) 5.198 16.523 ( -1.512 3.238 3.775) 5.198 16.926 ( -0.208 -4.354 1.048) 4.483 16.926 ( -0.208 4.354 1.048) 4.483 18.203 ( -0.036 -0.922 1.633) 1.876 18.203 ( -0.036 0.922 1.633) 1.876 18.430 ( 0.477 -1.663 -3.962) 4.323 18.430 ( 0.477 1.663 -3.962) 4.323 18.749 ( 0.710 -2.402 3.867) 4.608 18.749 ( 0.710 2.402 3.867) 4.608 19.030 ( -0.555 -0.513 -0.696) 1.027 19.030 ( -0.555 0.513 -0.696) 1.027 19.109 ( 0.901 -0.718 -0.385) 1.214 19.109 ( 0.901 0.718 -0.385) 1.214 19.241 ( -0.510 -6.283 -0.181) 6.307 19.241 ( -0.510 6.283 -0.181) 6.307 19.640 ( 0.577 -1.414 0.206) 1.541 19.640 ( 0.577 1.414 0.206) 1.541 20.009 ( -0.999 -3.322 -0.929) 3.591 20.009 ( -0.999 3.322 -0.929) 3.591 20.617 ( 0.128 -3.871 1.445) 4.134 20.617 ( 0.128 3.871 1.445) 4.134 20.726 ( 0.378 -5.093 -1.277) 5.264 20.726 ( 0.378 5.093 -1.277) 5.264 21.287 ( -0.017 -0.446 -0.899) 1.003 21.287 ( -0.017 0.446 -0.899) 1.003 21.446 ( 0.141 -0.446 -0.034) 0.469 21.446 ( 0.141 0.446 -0.034) 0.469 21.859 ( -0.636 -0.089 0.412) 0.763 21.859 ( -0.636 0.089 0.412) 0.763 21.990 ( 0.428 -0.720 1.758) 1.947 21.990 ( 0.428 0.720 1.758) 1.947 22.180 ( 0.642 -0.413 -2.930) 3.028 22.180 ( 0.642 0.413 -2.930) 3.028 22.390 ( -0.336 -1.217 0.636) 1.414 22.390 ( -0.336 1.217 0.636) 1.414 ======================= Grid point 75 (39/64) ======================= q-point: (-0.33 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( -5.516 -9.993 -5.163) 12.527 1.227 ( -5.516 9.993 -5.163) 12.527 1.504 ( -8.835 -11.323 1.439) 14.434 1.504 ( -8.835 11.323 1.439) 14.434 1.754 ( 4.358 -4.921 1.812) 6.818 1.754 ( 4.358 4.921 1.812) 6.818 1.829 ( -1.600 -5.975 1.937) 6.481 1.829 ( -1.600 5.975 1.937) 6.481 2.197 ( 0.033 -4.958 11.927) 12.916 2.197 ( 0.033 4.958 11.927) 12.916 2.247 ( 4.648 -6.657 0.374) 8.128 2.247 ( 4.648 6.657 0.374) 8.128 2.424 ( 4.206 -0.886 -2.203) 4.830 2.424 ( 4.206 0.886 -2.203) 4.830 2.505 ( 4.605 -6.837 0.531) 8.260 2.505 ( 4.605 6.837 0.531) 8.260 2.653 ( 5.833 -1.800 1.162) 6.214 2.653 ( 5.833 1.800 1.162) 6.214 2.914 ( -2.153 -4.554 6.165) 7.961 2.914 ( -2.153 4.554 6.165) 7.961 3.014 ( -1.982 -5.622 -2.108) 6.323 3.014 ( -1.982 5.622 -2.108) 6.323 3.135 ( -1.154 -10.267 -3.005) 10.760 3.135 ( -1.154 10.267 -3.005) 10.760 3.238 ( 0.723 -3.567 -1.088) 3.799 3.238 ( 0.723 3.567 -1.088) 3.799 3.369 ( -4.421 -4.837 2.419) 6.985 3.369 ( -4.421 4.837 2.419) 6.985 3.512 ( 0.058 -6.144 1.500) 6.325 3.512 ( 0.058 6.144 1.500) 6.325 3.606 ( -1.487 -3.972 -6.022) 7.365 3.606 ( -1.487 3.972 -6.022) 7.365 3.716 ( 1.060 -3.839 -2.536) 4.722 3.716 ( 1.060 3.839 -2.536) 4.722 3.842 ( 1.233 -1.053 -4.340) 4.633 3.842 ( 1.233 1.053 -4.340) 4.633 4.018 ( -1.593 -2.465 -1.896) 3.494 4.018 ( -1.593 2.465 -1.896) 3.494 4.135 ( -1.860 -5.218 -0.000) 5.540 4.135 ( -1.860 5.218 -0.000) 5.540 4.236 ( -2.378 -3.276 -0.935) 4.155 4.236 ( -2.378 3.276 -0.935) 4.155 4.401 ( -0.862 -6.819 1.312) 6.998 4.401 ( -0.862 6.819 1.312) 6.998 4.434 ( 2.205 -6.748 -4.161) 8.229 4.434 ( 2.205 6.748 -4.161) 8.229 4.571 ( 1.953 -2.678 3.733) 4.992 4.571 ( 1.953 2.678 3.733) 4.992 4.747 ( 5.121 -3.181 -4.351) 7.434 4.747 ( 5.121 3.181 -4.351) 7.434 4.946 ( -1.858 -4.366 5.796) 7.490 4.946 ( -1.858 4.366 5.796) 7.490 5.185 ( -2.001 -2.983 -2.631) 4.452 5.185 ( -2.001 2.983 -2.631) 4.452 5.414 ( -1.577 -2.411 -0.052) 2.881 5.414 ( -1.577 2.411 -0.052) 2.881 5.513 ( -0.851 -2.131 -3.097) 3.854 5.513 ( -0.851 2.131 -3.097) 3.854 5.574 ( 1.540 -3.010 -1.281) 3.616 5.574 ( 1.540 3.010 -1.281) 3.616 5.734 ( 1.043 -1.229 -0.884) 1.839 5.734 ( 1.043 1.229 -0.884) 1.839 5.962 ( 3.006 -2.127 -3.410) 5.019 5.962 ( 3.006 2.127 -3.410) 5.019 6.131 ( 1.847 -5.575 7.142) 9.246 6.131 ( 1.847 5.575 7.142) 9.246 6.409 ( 2.091 -1.244 -2.512) 3.497 6.409 ( 2.091 1.244 -2.512) 3.497 6.527 ( 1.676 -3.390 9.921) 10.617 6.527 ( 1.676 3.390 9.921) 10.617 6.671 ( 2.351 -2.395 -0.402) 3.380 6.671 ( 2.351 2.395 -0.402) 3.380 6.821 ( -3.241 -3.461 0.132) 4.744 6.821 ( -3.241 3.461 0.132) 4.744 7.007 ( 1.296 -3.435 -1.089) 3.830 7.007 ( 1.296 3.435 -1.089) 3.830 7.196 ( -0.037 -2.264 1.495) 2.713 7.196 ( -0.037 2.264 1.495) 2.713 7.376 ( -2.221 -5.260 -1.777) 5.980 7.376 ( -2.221 5.260 -1.777) 5.980 7.482 ( 1.134 -3.871 3.786) 5.532 7.482 ( 1.134 3.871 3.786) 5.532 7.631 ( 1.495 -6.073 -2.603) 6.775 7.631 ( 1.495 6.073 -2.603) 6.775 7.801 ( -2.905 -3.859 -1.559) 5.076 7.801 ( -2.905 3.859 -1.559) 5.076 7.961 ( -5.356 -1.219 4.003) 6.797 7.961 ( -5.356 1.219 4.003) 6.797 8.073 ( 0.395 -1.270 -0.139) 1.337 8.073 ( 0.395 1.270 -0.139) 1.337 8.402 ( 5.399 -2.496 -2.729) 6.545 8.402 ( 5.399 2.496 -2.729) 6.545 8.714 ( -2.578 -3.117 -2.367) 4.687 8.714 ( -2.578 3.117 -2.367) 4.687 8.892 ( -4.072 -6.089 1.118) 7.410 8.892 ( -4.072 6.089 1.118) 7.410 9.558 ( -2.607 -5.430 -3.451) 6.942 9.558 ( -2.607 5.430 -3.451) 6.942 9.906 ( -7.595 -9.144 2.813) 12.215 9.906 ( -7.595 9.144 2.813) 12.215 10.086 ( 2.430 -1.795 0.543) 3.069 10.086 ( 2.430 1.795 0.543) 3.069 10.480 ( 1.494 -6.223 -0.781) 6.447 10.480 ( 1.494 6.223 -0.781) 6.447 12.941 ( 0.440 -2.228 -0.059) 2.272 12.941 ( 0.440 2.228 -0.059) 2.272 13.110 ( 1.416 -1.367 0.068) 1.969 13.110 ( 1.416 1.367 0.068) 1.969 13.257 ( 2.074 -0.899 0.894) 2.431 13.257 ( 2.074 0.899 0.894) 2.431 13.328 ( 1.587 -1.670 -0.859) 2.459 13.328 ( 1.587 1.670 -0.859) 2.459 14.128 ( -2.475 -2.163 -0.381) 3.309 14.128 ( -2.475 2.163 -0.381) 3.309 14.302 ( -0.852 -0.238 2.339) 2.501 14.302 ( -0.852 0.238 2.339) 2.501 14.449 ( -2.784 -3.521 -0.221) 4.494 14.449 ( -2.784 3.521 -0.221) 4.494 14.759 ( 2.295 -1.190 0.865) 2.726 14.759 ( 2.295 1.190 0.865) 2.726 14.893 ( 0.576 -2.099 -1.140) 2.457 14.893 ( 0.576 2.099 -1.140) 2.457 14.996 ( -0.671 -0.972 -1.387) 1.822 14.996 ( -0.671 0.972 -1.387) 1.822 15.248 ( 1.103 -1.530 -2.255) 2.939 15.248 ( 1.103 1.530 -2.255) 2.939 15.483 ( 3.081 -3.763 0.721) 4.916 15.483 ( 3.081 3.763 0.721) 4.916 15.862 ( -7.576 -7.651 -0.990) 10.812 15.862 ( -7.576 7.651 -0.990) 10.812 16.295 ( -1.448 -1.125 2.015) 2.724 16.295 ( -1.448 1.125 2.015) 2.724 16.514 ( 3.277 -5.619 1.023) 6.584 16.514 ( 3.277 5.619 1.023) 6.584 16.972 ( 3.354 -3.797 0.944) 5.153 16.972 ( 3.354 3.797 0.944) 5.153 18.208 ( 0.284 -1.063 1.550) 1.901 18.208 ( 0.284 1.063 1.550) 1.901 18.436 ( 0.570 -0.376 -3.080) 3.155 18.436 ( 0.570 0.376 -3.080) 3.155 18.762 ( 0.027 -2.578 3.818) 4.607 18.762 ( 0.027 2.578 3.818) 4.607 19.006 ( -1.848 -0.541 -1.153) 2.245 19.006 ( -1.848 0.541 -1.153) 2.245 19.065 ( -3.457 -3.810 0.786) 5.204 19.065 ( -3.457 3.810 0.786) 5.204 19.294 ( 4.261 -5.533 -0.367) 6.993 19.294 ( 4.261 5.533 -0.367) 6.993 19.664 ( 1.656 -3.131 0.452) 3.571 19.664 ( 1.656 3.131 0.452) 3.571 19.984 ( -1.408 -2.857 -1.572) 3.552 19.984 ( -1.408 2.857 -1.572) 3.552 20.549 ( -4.183 -4.096 0.874) 5.919 20.549 ( -4.183 4.096 0.874) 5.919 20.810 ( 5.617 -2.991 -1.250) 6.485 20.810 ( 5.617 2.991 -1.250) 6.485 21.333 ( 3.962 -1.555 -0.585) 4.296 21.333 ( 3.962 1.555 -0.585) 4.296 21.475 ( 3.253 -0.921 0.147) 3.384 21.475 ( 3.253 0.921 0.147) 3.384 21.846 ( -0.539 -0.555 0.665) 1.020 21.846 ( -0.539 0.555 0.665) 1.020 21.986 ( -1.082 -0.865 1.280) 1.886 21.986 ( -1.082 0.865 1.280) 1.886 22.159 ( -2.376 -0.462 -2.850) 3.739 22.159 ( -2.376 0.462 -2.850) 3.739 22.349 ( -3.823 -1.507 0.561) 4.148 22.349 ( -3.823 1.507 0.561) 4.148 ======================= Grid point 77 (40/64) ======================= q-point: (-0.17 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( -4.664 -10.886 3.499) 12.349 1.126 ( -4.664 10.886 3.499) 12.349 1.352 ( -5.663 -11.095 12.115) 17.376 1.352 ( -5.663 11.095 12.115) 17.376 1.739 ( -4.262 -8.527 -1.617) 9.669 1.739 ( -4.262 8.527 -1.617) 9.669 1.868 ( 4.954 -8.085 0.360) 9.489 1.868 ( 4.954 8.085 0.360) 9.489 2.169 ( -2.040 -3.664 2.609) 4.939 2.169 ( -2.040 3.664 2.609) 4.939 2.322 ( 0.934 -1.629 3.638) 4.094 2.322 ( 0.934 1.629 3.638) 4.094 2.526 ( 5.831 -7.707 0.222) 9.667 2.526 ( 5.831 7.707 0.222) 9.667 2.637 ( 5.539 -2.231 1.128) 6.077 2.637 ( 5.539 2.231 1.128) 6.077 2.777 ( -1.824 -1.468 1.507) 2.785 2.777 ( -1.824 1.468 1.507) 2.785 2.863 ( 4.935 -4.002 -6.492) 9.084 2.863 ( 4.935 4.002 -6.492) 9.084 3.001 ( 1.896 -11.034 3.901) 11.856 3.001 ( 1.896 11.034 3.901) 11.856 3.126 ( -1.732 -3.680 -3.469) 5.346 3.126 ( -1.732 3.680 -3.469) 5.346 3.245 ( 1.614 -4.113 1.037) 4.539 3.245 ( 1.614 4.113 1.037) 4.539 3.320 ( -0.334 -4.189 3.749) 5.632 3.320 ( -0.334 4.189 3.749) 5.632 3.511 ( -0.650 -1.579 -2.905) 3.370 3.511 ( -0.650 1.579 -2.905) 3.370 3.594 ( -0.013 -3.011 -4.790) 5.658 3.594 ( -0.013 3.011 -4.790) 5.658 3.721 ( 0.613 -4.510 -1.226) 4.713 3.721 ( 0.613 4.510 -1.226) 4.713 3.805 ( -4.719 -3.616 -5.699) 8.236 3.805 ( -4.719 3.616 -5.699) 8.236 3.950 ( -2.739 -4.725 -0.647) 5.500 3.950 ( -2.739 4.725 -0.647) 5.500 4.129 ( -0.737 -0.402 -4.443) 4.521 4.129 ( -0.737 0.402 -4.443) 4.521 4.165 ( -3.289 -5.887 0.251) 6.748 4.165 ( -3.289 5.887 0.251) 6.748 4.365 ( -1.341 -6.422 -0.100) 6.561 4.365 ( -1.341 6.422 -0.100) 6.561 4.478 ( 3.252 -0.936 -3.337) 4.752 4.478 ( 3.252 0.936 -3.337) 4.752 4.645 ( 2.278 -2.497 3.354) 4.761 4.645 ( 2.278 2.497 3.354) 4.761 4.811 ( 1.684 -0.609 -1.201) 2.156 4.811 ( 1.684 0.609 -1.201) 2.156 4.899 ( -2.266 -4.991 3.187) 6.340 4.899 ( -2.266 4.991 3.187) 6.340 5.178 ( 0.355 -3.279 1.274) 3.535 5.178 ( 0.355 3.279 1.274) 3.535 5.377 ( -1.701 -4.797 0.411) 5.107 5.377 ( -1.701 4.797 0.411) 5.107 5.512 ( 1.017 -2.029 0.300) 2.290 5.512 ( 1.017 2.029 0.300) 2.290 5.638 ( 4.842 -3.030 -0.086) 5.712 5.638 ( 4.842 3.030 -0.086) 5.712 5.776 ( 2.610 -1.685 0.444) 3.138 5.776 ( 2.610 1.685 0.444) 3.138 5.991 ( -0.790 -3.257 0.059) 3.352 5.991 ( -0.790 3.257 0.059) 3.352 6.154 ( -0.268 -4.857 3.286) 5.870 6.154 ( -0.268 4.857 3.286) 5.870 6.403 ( 0.187 -1.114 -10.321) 10.382 6.403 ( 0.187 1.114 -10.321) 10.382 6.551 ( -2.049 -2.544 5.346) 6.265 6.551 ( -2.049 2.544 5.346) 6.265 6.690 ( 1.147 -1.719 4.810) 5.235 6.690 ( 1.147 1.719 4.810) 5.235 6.870 ( 5.614 -1.950 -5.322) 7.978 6.870 ( 5.614 1.950 -5.322) 7.978 7.031 ( 0.743 -2.949 -5.323) 6.131 7.031 ( 0.743 2.949 -5.323) 6.131 7.178 ( -0.902 -3.075 4.672) 5.665 7.178 ( -0.902 3.075 4.672) 5.665 7.348 ( 0.045 -4.687 0.468) 4.711 7.348 ( 0.045 4.687 0.468) 4.711 7.498 ( -0.759 -5.000 2.997) 5.879 7.498 ( -0.759 5.000 2.997) 5.879 7.651 ( 0.352 -4.175 4.132) 5.885 7.651 ( 0.352 4.175 4.132) 5.885 7.713 ( -4.494 -0.415 0.976) 4.617 7.713 ( -4.494 0.415 0.976) 4.617 7.917 ( 0.858 -2.167 1.943) 3.035 7.917 ( 0.858 2.167 1.943) 3.035 8.113 ( 2.957 -1.886 -0.335) 3.523 8.113 ( 2.957 1.886 -0.335) 3.523 8.459 ( -0.423 -2.120 -3.701) 4.287 8.459 ( -0.423 2.120 -3.701) 4.287 8.637 ( -3.325 -6.968 -1.611) 7.887 8.637 ( -3.325 6.968 -1.611) 7.887 8.787 ( -5.665 -4.473 -1.331) 7.340 8.787 ( -5.665 4.473 -1.331) 7.340 9.503 ( -2.966 -6.549 2.847) 7.732 9.503 ( -2.966 6.549 2.847) 7.732 9.729 ( -7.674 -7.055 -0.292) 10.429 9.729 ( -7.674 7.055 -0.292) 10.429 10.163 ( 4.106 -4.149 -0.402) 5.851 10.163 ( 4.106 4.149 -0.402) 5.851 10.487 ( -0.641 -5.001 -0.963) 5.133 10.487 ( -0.641 5.001 -0.963) 5.133 12.959 ( 1.102 -0.334 -1.321) 1.752 12.959 ( 1.102 0.334 -1.321) 1.752 13.149 ( 2.244 -2.798 1.631) 3.940 13.149 ( 2.244 2.798 1.631) 3.940 13.300 ( 1.786 -0.909 1.018) 2.248 13.300 ( 1.786 0.909 1.018) 2.248 13.361 ( 1.625 -1.853 -0.697) 2.561 13.361 ( 1.625 1.853 -0.697) 2.561 14.070 ( -2.842 -1.894 -1.513) 3.736 14.070 ( -2.842 1.894 -1.513) 3.736 14.246 ( -3.794 -2.289 3.151) 5.437 14.246 ( -3.794 2.289 3.151) 5.437 14.456 ( 2.368 -2.921 -0.200) 3.766 14.456 ( 2.368 2.921 -0.200) 3.766 14.740 ( -2.561 -2.455 -1.714) 3.940 14.740 ( -2.561 2.455 -1.714) 3.940 14.927 ( 1.841 -2.202 -2.181) 3.605 14.927 ( 1.841 2.202 -2.181) 3.605 14.966 ( -1.672 -4.173 -0.679) 4.546 14.966 ( -1.672 4.173 -0.679) 4.546 15.300 ( 3.073 -2.185 0.718) 3.839 15.300 ( 3.073 2.185 0.718) 3.839 15.575 ( 5.673 -2.566 2.330) 6.648 15.575 ( 5.673 2.566 2.330) 6.648 15.718 ( -5.693 -6.332 -1.724) 8.688 15.718 ( -5.693 6.332 -1.724) 8.688 16.193 ( -6.866 -6.234 1.048) 9.333 16.193 ( -6.866 6.234 1.048) 9.333 16.661 ( 8.793 -10.114 1.663) 13.505 16.661 ( 8.793 10.114 1.663) 13.505 17.019 ( 0.870 -2.797 -0.317) 2.946 17.019 ( 0.870 2.797 -0.317) 2.946 18.218 ( 0.414 -1.110 1.560) 1.959 18.218 ( 0.414 1.110 1.560) 1.959 18.441 ( 0.157 -0.844 -1.880) 2.067 18.441 ( 0.157 0.844 -1.880) 2.067 18.759 ( -0.786 -2.377 3.070) 3.961 18.759 ( -0.786 2.377 3.070) 3.961 18.947 ( -3.485 -2.297 0.221) 4.180 18.947 ( -3.485 2.297 0.221) 4.180 19.022 ( -0.963 -2.018 0.714) 2.347 19.022 ( -0.963 2.018 0.714) 2.347 19.373 ( 3.219 -2.526 -0.080) 4.092 19.373 ( 3.219 2.526 -0.080) 4.092 19.701 ( 1.649 -3.624 1.090) 4.128 19.701 ( 1.649 3.624 1.090) 4.128 19.948 ( -1.528 -3.283 -2.534) 4.420 19.948 ( -1.528 3.283 -2.534) 4.420 20.488 ( -2.023 -3.752 0.643) 4.311 20.488 ( -2.023 3.752 0.643) 4.311 20.913 ( 4.458 -2.601 -2.496) 5.733 20.913 ( 4.458 2.601 -2.496) 5.733 21.402 ( 2.643 -1.822 0.271) 3.221 21.402 ( 2.643 1.822 0.271) 3.221 21.594 ( 7.802 -2.488 0.143) 8.191 21.594 ( 7.802 2.488 0.143) 8.191 21.842 ( -0.084 -0.922 1.054) 1.402 21.842 ( -0.084 0.922 1.054) 1.402 21.948 ( -2.911 -1.444 -0.362) 3.269 21.948 ( -2.911 1.444 -0.362) 3.269 22.090 ( -3.164 -0.298 -2.348) 3.952 22.090 ( -3.164 0.298 -2.348) 3.952 22.250 ( -5.653 -1.883 0.697) 5.999 22.250 ( -5.653 1.883 0.697) 5.999 ======================= Grid point 91 (41/64) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( 3.815 0.000 17.976) 18.376 0.910 ( -0.183 0.000 18.177) 18.178 1.393 ( 0.877 0.000 -9.206) 9.248 1.414 ( -1.981 0.000 -14.654) 14.788 1.775 ( -8.200 0.000 2.092) 8.463 1.783 ( 9.240 0.000 9.699) 13.396 1.898 ( -9.828 0.000 10.589) 14.447 1.965 ( 6.193 0.000 12.717) 14.145 2.181 ( -0.958 0.000 -6.860) 6.926 2.184 ( 1.256 0.000 2.282) 2.605 2.338 ( 4.261 0.000 16.113) 16.667 2.417 ( -3.217 0.000 11.051) 11.510 2.499 ( -2.160 0.000 5.151) 5.586 2.540 ( -2.022 0.000 3.093) 3.695 2.548 ( -2.123 0.000 1.921) 2.864 2.584 ( -5.377 0.000 -5.521) 7.706 2.755 ( 3.921 0.000 -3.557) 5.294 2.772 ( 1.591 0.000 -6.787) 6.971 2.875 ( 6.397 0.000 -5.290) 8.301 3.033 ( -0.698 0.000 1.881) 2.006 3.058 ( 0.668 0.000 -3.527) 3.590 3.071 ( -0.076 0.000 -1.010) 1.013 3.096 ( -4.399 0.000 -5.680) 7.184 3.188 ( 4.517 0.000 -9.202) 10.251 3.266 ( 5.652 0.000 1.615) 5.878 3.276 ( 2.403 0.000 0.147) 2.407 3.331 ( -2.717 0.000 -4.853) 5.562 3.375 ( -3.755 0.000 -6.016) 7.092 3.378 ( -4.383 0.000 0.928) 4.480 3.461 ( -5.496 0.000 -5.599) 7.846 3.576 ( -1.021 0.000 3.544) 3.688 3.621 ( -1.323 0.000 -2.461) 2.794 3.661 ( -3.836 0.000 -3.374) 5.108 3.680 ( 7.488 0.000 -5.190) 9.111 3.764 ( -0.014 0.000 5.115) 5.115 3.816 ( -0.935 0.000 -1.269) 1.577 3.947 ( -0.722 0.000 -3.513) 3.586 3.948 ( 2.930 0.000 -5.168) 5.941 4.078 ( 0.752 0.000 8.346) 8.380 4.136 ( -0.892 0.000 1.057) 1.383 4.167 ( 4.050 0.000 5.444) 6.786 4.290 ( -4.474 0.000 -6.444) 7.844 4.377 ( 3.385 0.000 5.435) 6.403 4.400 ( 1.154 0.000 1.832) 2.165 4.421 ( 3.124 0.000 7.683) 8.294 4.604 ( -8.331 0.000 -6.362) 10.482 4.683 ( 2.897 0.000 6.964) 7.543 4.795 ( 2.066 0.000 -9.848) 10.063 4.816 ( -2.429 0.000 -0.801) 2.558 4.911 ( -2.601 0.000 -5.223) 5.835 5.071 ( 7.834 0.000 0.257) 7.839 5.085 ( 0.394 0.000 -3.766) 3.787 5.247 ( 0.036 0.000 4.254) 4.254 5.297 ( 0.213 0.000 -0.458) 0.505 5.307 ( 0.582 0.000 2.081) 2.161 5.413 ( -3.399 0.000 -9.077) 9.693 5.468 ( -3.216 0.000 0.035) 3.216 5.494 ( -1.732 0.000 -3.854) 4.225 5.576 ( -3.734 0.000 5.385) 6.553 5.694 ( 5.684 0.000 -5.504) 7.912 5.959 ( -3.742 0.000 1.625) 4.080 5.992 ( 2.839 0.000 -1.978) 3.459 6.024 ( 4.556 0.000 5.796) 7.372 6.141 ( -1.639 0.000 -4.592) 4.876 6.245 ( -1.293 0.000 2.309) 2.647 6.271 ( -0.583 0.000 -1.669) 1.768 6.380 ( 3.850 0.000 6.154) 7.259 6.431 ( -3.476 0.000 -1.306) 3.714 6.612 ( -2.869 0.000 7.455) 7.988 6.668 ( 0.748 0.000 9.082) 9.113 6.685 ( -0.774 0.000 8.895) 8.929 6.712 ( -0.352 0.000 5.242) 5.254 6.795 ( -0.995 0.000 -1.847) 2.098 6.822 ( -1.487 0.000 -0.740) 1.661 6.922 ( 5.712 0.000 -6.540) 8.683 7.045 ( 1.189 0.000 -12.706) 12.761 7.242 ( 2.802 0.000 -0.218) 2.810 7.258 ( -3.334 0.000 -3.160) 4.593 7.290 ( 0.839 0.000 2.415) 2.557 7.314 ( 0.562 0.000 0.066) 0.566 7.418 ( 2.947 0.000 5.387) 6.140 7.471 ( -2.752 0.000 4.939) 5.654 7.527 ( -1.631 0.000 2.221) 2.755 7.557 ( 3.057 0.000 -0.059) 3.058 7.644 ( -1.623 0.000 -3.460) 3.822 7.664 ( 3.210 0.000 -1.533) 3.557 7.899 ( 1.081 0.000 -0.917) 1.417 7.941 ( -1.792 0.000 -4.842) 5.163 8.063 ( -4.382 0.000 1.698) 4.699 8.079 ( 4.157 0.000 -0.132) 4.159 8.240 ( 3.190 0.000 2.439) 4.015 8.301 ( -1.066 0.000 -2.846) 3.039 8.634 ( -8.661 0.000 0.242) 8.665 8.665 ( 3.038 0.000 -2.441) 3.897 8.828 ( -1.378 0.000 3.171) 3.457 8.860 ( 3.696 0.000 -1.617) 4.035 9.150 ( 6.839 0.000 1.689) 7.045 9.229 ( -8.483 0.000 -6.512) 10.694 9.812 ( -12.909 0.000 5.360) 13.977 9.892 ( 7.839 0.000 -3.244) 8.484 10.066 ( -6.715 0.000 7.665) 10.190 10.205 ( 2.474 0.000 -6.777) 7.215 10.415 ( 3.279 0.000 4.394) 5.482 10.491 ( -3.458 0.000 -3.407) 4.855 12.940 ( -2.063 0.000 -0.062) 2.064 12.943 ( 2.638 0.000 -0.467) 2.679 13.136 ( -3.001 0.000 1.833) 3.516 13.164 ( 1.462 0.000 -0.764) 1.649 13.226 ( 2.593 0.000 1.317) 2.909 13.260 ( -2.085 0.000 -1.974) 2.871 13.413 ( 0.586 0.000 1.000) 1.159 13.424 ( 1.311 0.000 -0.050) 1.312 13.923 ( -1.702 0.000 0.877) 1.915 13.954 ( 0.005 0.000 -2.510) 2.510 14.318 ( -0.754 0.000 3.333) 3.417 14.373 ( 0.304 0.000 -2.507) 2.526 14.420 ( -3.122 0.000 5.436) 6.268 14.522 ( 3.311 0.000 -5.343) 6.286 14.567 ( 3.094 0.000 2.329) 3.873 14.651 ( -1.143 0.000 -5.985) 6.094 14.850 ( 0.721 0.000 2.580) 2.679 14.888 ( -1.952 0.000 -2.035) 2.820 15.046 ( -4.614 0.000 3.339) 5.695 15.143 ( 4.097 0.000 -6.578) 7.749 15.235 ( 5.186 0.000 2.414) 5.720 15.273 ( -2.433 0.000 -1.613) 2.919 15.406 ( 3.413 0.000 5.724) 6.664 15.509 ( -4.355 0.000 -5.080) 6.691 15.840 ( 6.494 0.000 2.329) 6.899 15.864 ( -6.722 0.000 0.324) 6.730 16.075 ( 5.895 0.000 10.588) 12.118 16.271 ( -0.716 0.000 -9.399) 9.427 16.579 ( 21.150 0.000 6.338) 22.080 16.717 ( -12.042 0.000 -7.578) 14.228 17.081 ( -0.276 0.000 3.641) 3.651 17.127 ( 0.087 0.000 -1.049) 1.052 18.251 ( 1.907 0.000 0.811) 2.072 18.268 ( -1.801 0.000 -0.988) 2.055 18.549 ( -2.823 0.000 2.649) 3.871 18.593 ( 5.014 0.000 -2.016) 5.404 18.685 ( 0.699 0.000 1.637) 1.779 18.713 ( -1.449 0.000 -0.888) 1.699 18.875 ( 3.112 0.000 1.187) 3.330 18.912 ( -1.480 0.000 -2.373) 2.797 19.080 ( 1.499 0.000 3.029) 3.380 19.133 ( -0.651 0.000 -2.408) 2.495 19.370 ( 6.684 0.000 0.200) 6.687 19.378 ( -17.408 0.000 -0.575) 17.417 19.579 ( -7.553 0.000 1.095) 7.632 19.605 ( 8.788 0.000 -1.711) 8.953 19.819 ( -5.552 0.000 3.555) 6.592 19.883 ( 4.198 0.000 -3.164) 5.257 20.745 ( 2.403 0.000 2.297) 3.324 20.793 ( -4.667 0.000 -2.655) 5.369 21.017 ( -3.003 0.000 3.184) 4.377 21.080 ( 5.002 0.000 -3.387) 6.041 21.315 ( -0.384 0.000 2.526) 2.555 21.360 ( 1.129 0.000 -2.093) 2.378 21.602 ( 1.973 0.000 0.822) 2.137 21.620 ( -5.524 0.000 -1.020) 5.618 21.847 ( -2.488 0.000 2.443) 3.487 21.879 ( 3.132 0.000 -0.052) 3.132 21.915 ( -0.081 0.000 -1.211) 1.213 21.926 ( -0.576 0.000 -1.526) 1.631 21.992 ( 2.175 0.000 0.188) 2.183 22.000 ( 1.368 0.000 -0.696) 1.535 22.173 ( -1.014 0.000 1.471) 1.787 22.192 ( -0.451 0.000 -0.586) 0.739 ======================= Grid point 92 (42/64) ======================= q-point: ( 0.17 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( 13.883 0.000 8.050) 16.048 1.107 ( 13.138 0.000 12.377) 18.050 1.418 ( 3.544 0.000 -7.769) 8.539 1.499 ( 6.949 0.000 -9.644) 11.887 1.628 ( -0.601 0.000 6.082) 6.111 1.762 ( -5.120 0.000 8.806) 10.186 1.969 ( 5.944 0.000 -2.899) 6.613 2.120 ( -2.605 0.000 -3.713) 4.536 2.154 ( -5.084 0.000 4.749) 6.957 2.157 ( 6.999 0.000 12.371) 14.213 2.320 ( -2.909 0.000 14.689) 14.974 2.386 ( -3.205 0.000 -3.521) 4.761 2.492 ( -2.571 0.000 3.859) 4.637 2.510 ( 4.092 0.000 8.364) 9.311 2.512 ( -0.988 0.000 -0.906) 1.341 2.616 ( 6.182 0.000 7.479) 9.703 2.761 ( -2.898 0.000 -3.553) 4.585 2.838 ( 3.773 0.000 -2.066) 4.301 2.945 ( -5.980 0.000 -11.300) 12.784 2.953 ( -1.606 0.000 0.205) 1.619 3.009 ( 1.360 0.000 -4.907) 5.092 3.029 ( -6.410 0.000 1.063) 6.498 3.090 ( 2.359 0.000 0.968) 2.550 3.096 ( -7.959 0.000 -6.196) 10.086 3.285 ( -0.902 0.000 1.788) 2.003 3.303 ( 1.028 0.000 -17.313) 17.343 3.339 ( 1.273 0.000 4.525) 4.701 3.347 ( 4.473 0.000 2.754) 5.253 3.374 ( 0.070 0.000 3.025) 3.026 3.490 ( 9.387 0.000 -2.351) 9.677 3.596 ( 2.153 0.000 -0.937) 2.348 3.643 ( 2.800 0.000 -2.030) 3.459 3.671 ( 3.904 0.000 3.263) 5.088 3.676 ( -7.452 0.000 2.026) 7.722 3.808 ( 0.861 0.000 -2.913) 3.038 3.814 ( 0.858 0.000 1.944) 2.125 3.936 ( 1.056 0.000 -5.704) 5.801 3.953 ( -0.753 0.000 -5.077) 5.132 4.076 ( -1.712 0.000 7.914) 8.097 4.116 ( -1.214 0.000 0.436) 1.290 4.202 ( -2.103 0.000 -6.894) 7.207 4.285 ( 2.794 0.000 6.705) 7.264 4.355 ( -6.089 0.000 -2.923) 6.754 4.388 ( -3.920 0.000 5.029) 6.377 4.460 ( 3.258 0.000 3.077) 4.482 4.512 ( 2.285 0.000 -6.117) 6.529 4.715 ( -1.729 0.000 0.427) 1.781 4.726 ( -7.579 0.000 -8.436) 11.340 4.765 ( -1.728 0.000 7.059) 7.268 4.887 ( 2.048 0.000 0.612) 2.138 4.924 ( -12.521 0.000 -8.091) 14.908 5.136 ( -1.012 0.000 -5.816) 5.904 5.222 ( -9.766 0.000 7.957) 12.597 5.259 ( 0.712 0.000 1.014) 1.239 5.308 ( -1.823 0.000 -2.411) 3.023 5.389 ( 1.404 0.000 -0.990) 1.718 5.461 ( 6.934 0.000 6.049) 9.202 5.499 ( 1.673 0.000 -6.451) 6.665 5.626 ( 4.877 0.000 -1.045) 4.987 5.731 ( -1.494 0.000 -3.851) 4.131 5.894 ( -2.985 0.000 0.043) 2.986 6.044 ( 1.846 0.000 -0.710) 1.978 6.135 ( -2.731 0.000 2.219) 3.519 6.143 ( 4.030 0.000 2.503) 4.744 6.153 ( -7.665 0.000 2.387) 8.028 6.170 ( 0.900 0.000 -3.570) 3.682 6.375 ( -1.450 0.000 -4.338) 4.573 6.443 ( 2.475 0.000 6.489) 6.945 6.525 ( -6.111 0.000 5.825) 8.442 6.654 ( -4.343 0.000 2.104) 4.826 6.668 ( -1.331 0.000 5.222) 5.389 6.743 ( 3.823 0.000 3.941) 5.491 6.829 ( 2.913 0.000 1.389) 3.227 6.848 ( 3.264 0.000 3.249) 4.606 7.059 ( 6.537 0.000 -6.006) 8.877 7.094 ( 4.533 0.000 -11.026) 11.922 7.174 ( -4.317 0.000 -0.473) 4.343 7.268 ( 0.972 0.000 -0.714) 1.206 7.290 ( -1.515 0.000 -0.428) 1.574 7.322 ( 0.749 0.000 3.333) 3.416 7.458 ( -1.087 0.000 1.404) 1.775 7.461 ( -0.224 0.000 0.903) 0.931 7.490 ( -0.686 0.000 7.425) 7.457 7.587 ( -1.203 0.000 0.526) 1.313 7.688 ( 7.137 0.000 -4.169) 8.265 7.700 ( -1.793 0.000 -4.239) 4.602 7.871 ( -2.471 0.000 2.944) 3.844 7.902 ( -0.693 0.000 -7.111) 7.145 8.043 ( 4.326 0.000 -3.931) 5.846 8.129 ( 2.368 0.000 1.812) 2.981 8.276 ( -0.864 0.000 -0.678) 1.098 8.367 ( 5.685 0.000 -5.158) 7.676 8.517 ( -3.403 0.000 4.471) 5.619 8.727 ( -0.504 0.000 7.331) 7.348 8.777 ( -3.402 0.000 0.407) 3.426 8.931 ( 6.100 0.000 -2.623) 6.640 9.086 ( -4.764 0.000 -5.703) 7.431 9.333 ( 10.711 0.000 3.975) 11.425 9.659 ( 0.783 0.000 7.211) 7.253 9.937 ( -4.407 0.000 -4.613) 6.380 10.061 ( -0.003 0.000 6.423) 6.423 10.360 ( 11.724 0.000 2.852) 12.065 10.425 ( -1.620 0.000 -4.103) 4.411 10.496 ( 4.267 0.000 5.261) 6.774 12.896 ( -1.776 0.000 -1.122) 2.101 12.953 ( -2.320 0.000 0.485) 2.370 13.099 ( 0.012 0.000 0.631) 0.631 13.182 ( 0.791 0.000 1.327) 1.545 13.218 ( -1.645 0.000 -1.566) 2.271 13.275 ( 1.604 0.000 0.846) 1.814 13.362 ( -5.120 0.000 0.036) 5.120 13.409 ( -2.267 0.000 -2.006) 3.027 13.958 ( 4.678 0.000 2.327) 5.225 14.002 ( 4.205 0.000 -1.027) 4.329 14.280 ( -2.656 0.000 3.953) 4.762 14.352 ( -1.864 0.000 -2.788) 3.354 14.389 ( -0.263 0.000 5.421) 5.427 14.584 ( 3.048 0.000 -3.519) 4.656 14.622 ( -0.632 0.000 -8.400) 8.424 14.643 ( 3.380 0.000 0.711) 3.454 14.843 ( -2.136 0.000 -0.321) 2.160 14.859 ( -0.774 0.000 1.363) 1.567 14.939 ( -5.367 0.000 5.429) 7.634 15.179 ( -0.126 0.000 -5.514) 5.515 15.194 ( -3.470 0.000 -3.726) 5.091 15.263 ( -0.824 0.000 1.361) 1.591 15.427 ( -3.327 0.000 -2.949) 4.446 15.448 ( -1.746 0.000 4.887) 5.190 15.790 ( -0.574 0.000 -1.132) 1.269 15.967 ( 4.322 0.000 0.813) 4.397 16.234 ( 1.430 0.000 -10.550) 10.646 16.251 ( 8.968 0.000 5.503) 10.522 16.494 ( -6.006 0.000 -9.314) 11.082 16.943 ( 9.892 0.000 -4.123) 10.716 17.024 ( -5.908 0.000 4.985) 7.730 17.078 ( -4.705 0.000 -1.953) 5.094 18.236 ( -1.091 0.000 -1.393) 1.769 18.288 ( 1.424 0.000 1.104) 1.802 18.491 ( -2.839 0.000 1.103) 3.046 18.594 ( -9.381 0.000 1.350) 9.478 18.678 ( 0.586 0.000 -0.217) 0.625 18.715 ( 1.951 0.000 1.409) 2.407 18.893 ( -0.119 0.000 -2.576) 2.578 18.965 ( -2.927 0.000 5.467) 6.201 19.006 ( -2.168 0.000 2.077) 3.002 19.115 ( -0.728 0.000 -3.058) 3.143 19.149 ( 4.502 0.000 -0.652) 4.549 19.393 ( -2.442 0.000 3.378) 4.169 19.541 ( -0.009 0.000 -0.591) 0.591 19.727 ( -3.605 0.000 3.192) 4.815 19.844 ( 11.475 0.000 1.164) 11.534 19.966 ( 4.208 0.000 -1.202) 4.376 20.657 ( -6.970 0.000 0.177) 6.973 20.742 ( -2.287 0.000 3.849) 4.477 20.930 ( -5.839 0.000 0.445) 5.856 21.112 ( -0.783 0.000 -3.790) 3.870 21.311 ( 0.135 0.000 0.879) 0.889 21.352 ( -1.174 0.000 -1.859) 2.199 21.522 ( -4.371 0.000 1.256) 4.548 21.587 ( -4.097 0.000 2.222) 4.660 21.851 ( 3.107 0.000 1.552) 3.473 21.896 ( -0.990 0.000 1.172) 1.534 21.924 ( 1.659 0.000 -0.861) 1.869 21.924 ( 0.496 0.000 -0.690) 0.850 22.017 ( 2.116 0.000 -1.690) 2.708 22.034 ( 2.342 0.000 -1.622) 2.849 22.262 ( 5.600 0.000 1.608) 5.827 22.287 ( 7.519 0.000 -1.841) 7.741 ======================= Grid point 93 (43/64) ======================= q-point: ( 0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( 6.535 0.000 1.493) 6.703 1.406 ( 15.858 0.000 -8.954) 18.211 1.495 ( 3.403 0.000 5.541) 6.503 1.650 ( 3.480 0.000 5.060) 6.141 1.652 ( 5.517 0.000 12.593) 13.749 1.873 ( 13.911 0.000 -0.890) 13.939 1.980 ( -3.664 0.000 -5.107) 6.285 2.022 ( -7.390 0.000 9.658) 12.161 2.042 ( -0.768 0.000 -5.405) 5.459 2.251 ( 3.312 0.000 0.294) 3.325 2.308 ( -0.109 0.000 8.700) 8.700 2.399 ( -5.963 0.000 1.250) 6.093 2.414 ( 2.107 0.000 -0.719) 2.227 2.495 ( -2.223 0.000 -5.531) 5.961 2.581 ( 0.967 0.000 5.934) 6.012 2.738 ( 1.189 0.000 0.222) 1.210 2.746 ( -7.141 0.000 -2.713) 7.639 2.784 ( -9.541 0.000 -3.106) 10.034 2.786 ( 2.648 0.000 2.546) 3.673 2.896 ( -1.607 0.000 -8.727) 8.873 2.906 ( -1.171 0.000 -3.237) 3.443 2.987 ( -0.246 0.000 2.490) 2.502 3.079 ( 3.105 0.000 0.235) 3.114 3.143 ( 3.182 0.000 1.390) 3.472 3.291 ( -1.139 0.000 7.700) 7.783 3.292 ( -1.155 0.000 -0.260) 1.184 3.397 ( 0.736 0.000 2.111) 2.236 3.460 ( -6.189 0.000 -1.848) 6.458 3.470 ( 9.636 0.000 -7.776) 12.382 3.506 ( 5.438 0.000 1.637) 5.679 3.609 ( -2.122 0.000 2.194) 3.052 3.641 ( 5.341 0.000 -5.589) 7.731 3.729 ( 3.773 0.000 0.407) 3.795 3.753 ( 3.510 0.000 7.028) 7.855 3.816 ( -0.203 0.000 2.693) 2.701 3.852 ( 3.029 0.000 -5.071) 5.906 3.885 ( -3.038 0.000 0.401) 3.064 3.911 ( -2.886 0.000 -2.008) 3.516 4.037 ( -1.703 0.000 2.284) 2.849 4.069 ( -3.025 0.000 2.499) 3.923 4.181 ( -7.156 0.000 9.809) 12.142 4.224 ( 2.717 0.000 -6.466) 7.014 4.296 ( 1.131 0.000 -3.898) 4.058 4.428 ( 0.684 0.000 0.856) 1.096 4.510 ( 1.385 0.000 -2.761) 3.089 4.519 ( -8.319 0.000 1.240) 8.411 4.571 ( 0.970 0.000 -5.247) 5.336 4.645 ( -2.943 0.000 2.092) 3.611 4.689 ( -6.273 0.000 -11.392) 13.005 4.745 ( -1.624 0.000 1.950) 2.538 4.984 ( 5.678 0.000 4.483) 7.234 5.080 ( -4.959 0.000 4.413) 6.638 5.094 ( -1.376 0.000 -6.691) 6.831 5.270 ( -1.035 0.000 -2.255) 2.481 5.273 ( -0.871 0.000 -3.383) 3.493 5.319 ( -6.619 0.000 -4.948) 8.264 5.524 ( 1.477 0.000 -1.298) 1.966 5.556 ( 0.042 0.000 7.943) 7.943 5.710 ( 2.281 0.000 1.102) 2.533 5.737 ( 3.240 0.000 -3.566) 4.818 5.840 ( -0.442 0.000 -6.413) 6.428 5.926 ( -9.269 0.000 1.462) 9.383 6.019 ( -3.851 0.000 4.261) 5.744 6.131 ( -0.540 0.000 -2.388) 2.448 6.231 ( 3.059 0.000 1.773) 3.536 6.270 ( 6.038 0.000 4.044) 7.267 6.380 ( 2.324 0.000 -8.419) 8.734 6.438 ( -2.061 0.000 5.156) 5.553 6.504 ( 2.686 0.000 1.610) 3.132 6.568 ( -4.239 0.000 1.983) 4.680 6.658 ( 0.088 0.000 6.638) 6.639 6.791 ( 0.283 0.000 0.415) 0.503 6.897 ( 3.407 0.000 3.403) 4.815 6.929 ( 3.841 0.000 3.545) 5.227 7.101 ( -2.715 0.000 -1.179) 2.960 7.110 ( -1.183 0.000 -2.494) 2.760 7.174 ( 4.153 0.000 -4.249) 5.942 7.256 ( -2.171 0.000 -0.836) 2.327 7.265 ( -1.206 0.000 -0.131) 1.213 7.323 ( 0.408 0.000 3.974) 3.995 7.416 ( -2.596 0.000 -3.920) 4.702 7.438 ( -1.928 0.000 1.012) 2.177 7.541 ( 2.407 0.000 6.765) 7.180 7.563 ( -1.105 0.000 2.270) 2.524 7.652 ( -0.466 0.000 -0.422) 0.629 7.762 ( -0.152 0.000 -1.394) 1.402 7.897 ( 4.315 0.000 -1.749) 4.656 7.909 ( 2.096 0.000 -6.111) 6.461 8.128 ( 3.307 0.000 -5.714) 6.602 8.158 ( -0.172 0.000 -0.020) 0.173 8.269 ( 0.142 0.000 3.479) 3.482 8.440 ( 4.021 0.000 -7.607) 8.604 8.477 ( -2.560 0.000 5.562) 6.123 8.676 ( -3.610 0.000 3.112) 4.766 8.735 ( 0.297 0.000 0.419) 0.513 8.962 ( -4.966 0.000 -4.894) 6.972 9.138 ( 11.169 0.000 1.628) 11.287 9.560 ( 10.389 0.000 2.971) 10.806 9.762 ( 4.802 0.000 4.443) 6.542 9.770 ( -9.894 0.000 -6.114) 11.631 10.061 ( 0.545 0.000 2.607) 2.663 10.329 ( -4.994 0.000 -4.785) 6.916 10.600 ( 5.367 0.000 5.150) 7.438 10.614 ( 8.104 0.000 7.158) 10.813 12.877 ( 0.226 0.000 -2.414) 2.425 12.888 ( -3.280 0.000 1.984) 3.834 13.114 ( 0.747 0.000 -1.100) 1.330 13.206 ( 1.176 0.000 1.770) 2.126 13.215 ( 1.981 0.000 -0.768) 2.124 13.237 ( -5.364 0.000 -1.246) 5.507 13.295 ( -0.850 0.000 2.807) 2.933 13.350 ( -2.931 0.000 -2.199) 3.664 14.077 ( 2.941 0.000 -0.767) 3.040 14.082 ( 6.591 0.000 1.231) 6.705 14.253 ( -0.729 0.000 3.529) 3.604 14.293 ( -3.557 0.000 -1.968) 4.065 14.422 ( 2.414 0.000 7.724) 8.093 14.604 ( 0.486 0.000 -8.969) 8.982 14.634 ( 2.074 0.000 -2.274) 3.078 14.665 ( -1.724 0.000 -1.231) 2.118 14.802 ( -2.137 0.000 0.878) 2.310 14.820 ( -1.317 0.000 1.082) 1.704 14.894 ( -0.253 0.000 4.998) 5.005 15.119 ( -4.132 0.000 -4.761) 6.304 15.172 ( 1.829 0.000 -2.612) 3.188 15.256 ( -0.175 0.000 0.364) 0.404 15.359 ( -3.232 0.000 -1.330) 3.495 15.373 ( -5.167 0.000 3.805) 6.417 15.774 ( -1.427 0.000 -3.652) 3.921 15.943 ( -5.134 0.000 -7.780) 9.322 16.335 ( 8.861 0.000 -4.163) 9.790 16.421 ( 8.041 0.000 -0.417) 8.051 16.531 ( 7.406 0.000 3.650) 8.257 16.868 ( -9.644 0.000 7.801) 12.404 16.951 ( -6.659 0.000 -3.208) 7.391 16.976 ( -4.210 0.000 -2.501) 4.897 18.228 ( 0.690 0.000 -1.748) 1.879 18.286 ( -2.673 0.000 2.254) 3.496 18.419 ( -4.173 0.000 4.261) 5.964 18.445 ( -1.857 0.000 0.607) 1.954 18.690 ( 0.524 0.000 0.010) 0.524 18.750 ( 0.960 0.000 -1.357) 1.662 18.906 ( 1.891 0.000 -0.621) 1.991 18.910 ( -0.568 0.000 6.396) 6.421 19.053 ( 0.881 0.000 -0.583) 1.056 19.096 ( -0.821 0.000 -3.164) 3.268 19.275 ( 6.808 0.000 -8.401) 10.814 19.326 ( -4.407 0.000 4.806) 6.521 19.561 ( 2.487 0.000 -0.959) 2.666 19.666 ( -2.939 0.000 1.954) 3.530 20.023 ( 5.758 0.000 1.460) 5.940 20.041 ( 3.181 0.000 0.593) 3.236 20.559 ( -2.538 0.000 0.518) 2.590 20.683 ( -4.586 0.000 1.960) 4.987 20.834 ( -1.627 0.000 1.204) 2.024 21.057 ( -3.850 0.000 -3.448) 5.169 21.331 ( -0.426 0.000 -0.764) 0.875 21.332 ( 1.727 0.000 0.028) 1.727 21.437 ( -3.813 0.000 -0.110) 3.815 21.491 ( -4.787 0.000 1.106) 4.913 21.885 ( -0.104 0.000 -0.156) 0.188 21.899 ( 0.490 0.000 -1.122) 1.224 21.953 ( 2.236 0.000 2.784) 3.571 21.966 ( 2.007 0.000 1.626) 2.583 22.072 ( 2.995 0.000 -1.864) 3.528 22.083 ( 2.410 0.000 -1.851) 3.039 22.359 ( 3.248 0.000 2.181) 3.913 22.390 ( 3.097 0.000 -1.968) 3.670 ======================= Grid point 94 (44/64) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( -3.754 0.000 2.037) 4.271 1.415 ( -6.905 0.000 1.370) 7.040 1.558 ( -0.666 0.000 7.639) 7.668 1.730 ( 11.136 0.000 -10.213) 15.110 1.844 ( 0.804 0.000 9.840) 9.873 1.908 ( -1.931 0.000 5.601) 5.924 2.041 ( 5.705 0.000 0.678) 5.745 2.067 ( 2.076 0.000 -11.076) 11.269 2.100 ( 9.242 0.000 5.483) 10.746 2.238 ( -8.838 0.000 10.295) 13.568 2.296 ( -12.894 0.000 -9.707) 16.139 2.308 ( 1.150 0.000 2.305) 2.576 2.348 ( 1.956 0.000 3.248) 3.792 2.478 ( 5.365 0.000 -7.052) 8.860 2.608 ( -5.023 0.000 2.115) 5.450 2.608 ( 1.505 0.000 5.448) 5.652 2.637 ( 0.106 0.000 0.570) 0.580 2.792 ( 1.910 0.000 -5.249) 5.585 2.797 ( -4.305 0.000 -4.583) 6.288 2.828 ( -1.159 0.000 -14.787) 14.832 2.970 ( -3.376 0.000 2.528) 4.218 2.984 ( 7.181 0.000 3.117) 7.828 3.138 ( -0.241 0.000 4.641) 4.647 3.212 ( -2.531 0.000 8.416) 8.789 3.214 ( 2.285 0.000 -4.206) 4.787 3.281 ( 1.795 0.000 0.653) 1.910 3.384 ( -0.040 0.000 0.089) 0.097 3.392 ( -1.245 0.000 1.295) 1.797 3.484 ( -8.446 0.000 8.381) 11.899 3.621 ( -0.299 0.000 -1.230) 1.266 3.653 ( -5.843 0.000 -1.858) 6.131 3.653 ( 6.959 0.000 -0.357) 6.968 3.755 ( -3.705 0.000 0.322) 3.719 3.759 ( 4.671 0.000 -3.092) 5.602 3.778 ( 1.087 0.000 -0.890) 1.404 3.864 ( -0.624 0.000 -3.958) 4.007 3.917 ( 2.971 0.000 8.285) 8.802 3.955 ( 2.025 0.000 3.596) 4.127 4.024 ( -0.664 0.000 3.209) 3.277 4.063 ( 2.069 0.000 -7.211) 7.502 4.095 ( -1.932 0.000 10.754) 10.926 4.283 ( 3.386 0.000 -6.630) 7.445 4.368 ( -5.593 0.000 2.481) 6.119 4.389 ( 9.407 0.000 9.405) 13.302 4.432 ( 0.576 0.000 -4.517) 4.553 4.467 ( -3.310 0.000 2.279) 4.018 4.546 ( -0.515 0.000 -3.560) 3.597 4.624 ( -4.491 0.000 -9.719) 10.706 4.692 ( 4.562 0.000 -8.814) 9.925 4.718 ( 1.516 0.000 -9.555) 9.675 5.003 ( -2.263 0.000 4.736) 5.249 5.083 ( 2.280 0.000 -4.261) 4.833 5.097 ( 3.615 0.000 -0.618) 3.668 5.129 ( -6.160 0.000 -6.174) 8.722 5.284 ( 2.586 0.000 0.372) 2.613 5.305 ( 0.086 0.000 -1.680) 1.682 5.499 ( -4.914 0.000 4.685) 6.789 5.562 ( 3.512 0.000 1.406) 3.783 5.720 ( -0.518 0.000 1.569) 1.653 5.765 ( -4.239 0.000 3.629) 5.581 5.800 ( 0.467 0.000 -6.355) 6.372 5.883 ( 3.964 0.000 -2.311) 4.589 5.990 ( -0.433 0.000 7.135) 7.148 6.087 ( -2.187 0.000 -3.604) 4.215 6.270 ( 0.728 0.000 0.139) 0.741 6.355 ( -1.336 0.000 -2.133) 2.517 6.399 ( 3.569 0.000 4.730) 5.926 6.475 ( 3.312 0.000 -0.127) 3.315 6.488 ( -3.152 0.000 -2.032) 3.750 6.545 ( 0.458 0.000 -3.496) 3.526 6.693 ( 1.680 0.000 9.328) 9.478 6.767 ( -2.163 0.000 -1.085) 2.420 6.960 ( 1.730 0.000 6.500) 6.726 7.002 ( 3.194 0.000 3.557) 4.780 7.033 ( -4.897 0.000 1.512) 5.125 7.050 ( -2.520 0.000 -1.857) 3.130 7.222 ( -1.116 0.000 -2.703) 2.925 7.241 ( 0.892 0.000 3.866) 3.967 7.252 ( 2.074 0.000 -3.175) 3.792 7.304 ( -4.280 0.000 -1.056) 4.409 7.377 ( 0.980 0.000 1.262) 1.598 7.404 ( -1.264 0.000 -0.177) 1.276 7.558 ( 0.467 0.000 4.889) 4.911 7.561 ( 0.134 0.000 3.702) 3.704 7.690 ( 1.918 0.000 2.553) 3.193 7.738 ( -1.870 0.000 -4.093) 4.500 7.926 ( -1.643 0.000 -1.166) 2.015 7.938 ( 0.890 0.000 -4.168) 4.262 8.124 ( -2.839 0.000 -1.663) 3.290 8.162 ( 1.350 0.000 -1.803) 2.252 8.297 ( 1.339 0.000 6.667) 6.800 8.403 ( -3.616 0.000 -3.480) 5.019 8.553 ( 6.750 0.000 0.533) 6.771 8.623 ( -0.802 0.000 -6.030) 6.083 8.800 ( 5.463 0.000 0.582) 5.494 8.848 ( -5.143 0.000 -5.918) 7.840 9.382 ( 11.990 0.000 6.244) 13.519 9.487 ( -13.737 0.000 -4.472) 14.446 9.758 ( -5.413 0.000 2.951) 6.165 9.789 ( 7.953 0.000 -0.508) 7.969 10.137 ( 6.042 0.000 1.474) 6.219 10.203 ( -6.348 0.000 -5.282) 8.258 10.695 ( -0.077 0.000 3.395) 3.396 10.713 ( 4.847 0.000 2.255) 5.346 12.843 ( -1.454 0.000 2.375) 2.784 12.896 ( 1.766 0.000 -3.240) 3.690 13.133 ( -3.820 0.000 0.509) 3.854 13.141 ( 2.466 0.000 -0.364) 2.493 13.239 ( 0.150 0.000 1.161) 1.171 13.260 ( 0.307 0.000 -0.965) 1.013 13.274 ( -0.453 0.000 1.960) 2.012 13.308 ( 0.650 0.000 -1.673) 1.795 14.118 ( 0.919 0.000 1.228) 1.534 14.157 ( -2.076 0.000 -2.694) 3.401 14.244 ( -0.543 0.000 1.645) 1.732 14.250 ( 2.023 0.000 1.313) 2.412 14.459 ( -0.913 0.000 7.838) 7.891 14.613 ( 1.158 0.000 -8.514) 8.592 14.629 ( -0.588 0.000 0.347) 0.683 14.658 ( 0.698 0.000 -2.710) 2.799 14.766 ( -1.227 0.000 2.840) 3.094 14.810 ( 0.105 0.000 -1.071) 1.076 14.942 ( 3.840 0.000 4.860) 6.194 15.036 ( -3.138 0.000 -4.824) 5.755 15.231 ( -3.094 0.000 -1.244) 3.334 15.233 ( 3.188 0.000 -1.268) 3.431 15.299 ( -1.365 0.000 2.641) 2.973 15.313 ( 0.082 0.000 0.726) 0.730 15.746 ( -0.357 0.000 0.704) 0.789 15.824 ( -4.789 0.000 -7.116) 8.578 16.477 ( -5.475 0.000 2.204) 5.902 16.484 ( 1.751 0.000 1.630) 2.392 16.711 ( 9.838 0.000 3.128) 10.323 16.712 ( -4.001 0.000 3.937) 5.613 16.850 ( -6.211 0.000 0.408) 6.224 16.887 ( 2.466 0.000 -2.949) 3.844 18.227 ( -2.328 0.000 1.567) 2.806 18.263 ( 2.983 0.000 -1.939) 3.558 18.410 ( 1.063 0.000 1.641) 1.956 18.422 ( -0.262 0.000 0.257) 0.367 18.702 ( 0.616 0.000 1.228) 1.373 18.743 ( -1.075 0.000 -2.911) 3.103 18.913 ( -0.447 0.000 4.326) 4.349 18.962 ( 3.248 0.000 -0.505) 3.287 19.048 ( -0.824 0.000 0.151) 0.838 19.073 ( -1.118 0.000 -2.190) 2.459 19.242 ( -4.384 0.000 4.901) 6.576 19.368 ( 3.951 0.000 -7.596) 8.562 19.609 ( -2.992 0.000 0.397) 3.019 19.633 ( 4.488 0.000 -2.634) 5.204 20.081 ( 0.170 0.000 0.678) 0.699 20.084 ( 0.783 0.000 0.608) 0.991 20.563 ( 2.796 0.000 1.651) 3.247 20.584 ( -3.904 0.000 -0.497) 3.936 20.882 ( 4.681 0.000 4.033) 6.179 20.966 ( -4.217 0.000 -4.590) 6.233 21.340 ( 1.339 0.000 -0.364) 1.388 21.343 ( -1.193 0.000 -0.719) 1.393 21.413 ( -2.824 0.000 0.597) 2.887 21.417 ( 2.646 0.000 0.197) 2.653 21.883 ( -0.221 0.000 0.401) 0.458 21.891 ( -0.814 0.000 -0.456) 0.933 21.987 ( 0.567 0.000 1.861) 1.946 21.996 ( 0.722 0.000 1.160) 1.366 22.106 ( -0.253 0.000 -1.675) 1.694 22.108 ( 0.385 0.000 -2.180) 2.213 22.391 ( -0.292 0.000 1.781) 1.804 22.420 ( 0.417 0.000 -1.258) 1.326 ======================= Grid point 95 (45/64) ======================= q-point: (-0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( -15.304 0.000 12.213) 19.580 1.250 ( -10.067 0.000 10.268) 14.380 1.673 ( 3.896 0.000 -6.861) 7.890 1.756 ( -3.893 0.000 -4.172) 5.706 1.841 ( -11.473 0.000 -10.943) 15.855 1.851 ( -3.736 0.000 9.812) 10.499 1.913 ( -4.046 0.000 3.573) 5.398 1.958 ( -7.163 0.000 -8.517) 11.128 2.192 ( -0.596 0.000 7.646) 7.670 2.193 ( 1.763 0.000 -6.115) 6.364 2.275 ( 2.205 0.000 7.940) 8.240 2.352 ( 4.838 0.000 2.675) 5.528 2.397 ( 2.551 0.000 8.384) 8.764 2.509 ( -0.465 0.000 -2.368) 2.413 2.596 ( 3.489 0.000 7.186) 7.988 2.638 ( 0.668 0.000 5.743) 5.782 2.758 ( 1.450 0.000 -1.285) 1.937 2.770 ( 8.174 0.000 2.226) 8.472 2.805 ( 0.542 0.000 -17.251) 17.260 2.831 ( 4.533 0.000 -5.864) 7.411 2.899 ( -1.844 0.000 1.063) 2.129 3.070 ( -1.174 0.000 -2.876) 3.106 3.080 ( -4.438 0.000 6.646) 7.991 3.193 ( -1.935 0.000 -6.394) 6.680 3.217 ( -0.789 0.000 4.042) 4.118 3.296 ( -4.465 0.000 5.335) 6.957 3.405 ( 0.163 0.000 3.293) 3.297 3.415 ( 3.509 0.000 -3.705) 5.103 3.437 ( 9.508 0.000 4.194) 10.392 3.512 ( -4.378 0.000 -8.860) 9.883 3.612 ( -0.397 0.000 3.801) 3.821 3.663 ( -3.854 0.000 5.519) 6.731 3.760 ( -3.931 0.000 3.394) 5.193 3.776 ( 3.559 0.000 -2.157) 4.162 3.824 ( -2.825 0.000 -6.200) 6.813 3.845 ( 2.837 0.000 -2.971) 4.108 3.956 ( -4.436 0.000 -4.371) 6.228 3.964 ( 0.104 0.000 11.772) 11.772 4.014 ( -4.106 0.000 -8.232) 9.199 4.032 ( 4.943 0.000 0.483) 4.967 4.122 ( -0.223 0.000 4.047) 4.053 4.288 ( -2.347 0.000 5.170) 5.678 4.344 ( 3.443 0.000 -3.187) 4.692 4.399 ( -2.631 0.000 -4.396) 5.123 4.434 ( -0.003 0.000 -1.226) 1.226 4.540 ( 0.542 0.000 -0.609) 0.815 4.561 ( 3.669 0.000 -7.611) 8.449 4.668 ( 9.607 0.000 3.374) 10.182 4.725 ( 1.117 0.000 -8.068) 8.145 4.788 ( 6.837 0.000 -4.228) 8.039 4.994 ( 0.731 0.000 0.464) 0.866 5.021 ( -4.778 0.000 -2.935) 5.608 5.177 ( 5.217 0.000 -1.608) 5.459 5.181 ( 6.509 0.000 4.744) 8.054 5.315 ( 3.530 0.000 -7.681) 8.453 5.339 ( 1.982 0.000 -2.950) 3.554 5.405 ( -4.934 0.000 6.711) 8.330 5.632 ( -0.073 0.000 2.883) 2.884 5.697 ( -2.071 0.000 1.929) 2.830 5.757 ( -4.488 0.000 -6.870) 8.206 5.777 ( 7.362 0.000 -2.025) 7.635 5.952 ( 2.103 0.000 7.676) 7.959 6.027 ( 2.984 0.000 5.035) 5.853 6.070 ( 1.505 0.000 -0.979) 1.796 6.260 ( -1.455 0.000 -1.293) 1.946 6.279 ( -4.549 0.000 -1.185) 4.701 6.399 ( -5.619 0.000 -8.602) 10.275 6.486 ( 2.937 0.000 3.191) 4.337 6.527 ( 2.358 0.000 2.282) 3.281 6.554 ( 2.746 0.000 -4.730) 5.469 6.715 ( -2.699 0.000 1.045) 2.894 6.718 ( -1.158 0.000 10.275) 10.340 6.929 ( -3.558 0.000 4.926) 6.077 6.980 ( -4.185 0.000 -2.891) 5.087 7.000 ( -1.367 0.000 4.597) 4.796 7.063 ( 2.072 0.000 -0.083) 2.073 7.159 ( -4.045 0.000 -2.360) 4.683 7.263 ( 1.137 0.000 0.645) 1.307 7.265 ( 1.446 0.000 7.579) 7.716 7.299 ( 1.943 0.000 -1.088) 2.227 7.399 ( 1.521 0.000 -1.309) 2.007 7.402 ( 0.138 0.000 2.324) 2.328 7.577 ( 1.147 0.000 2.023) 2.325 7.594 ( 1.424 0.000 5.319) 5.506 7.673 ( -2.985 0.000 -6.721) 7.354 7.689 ( -2.801 0.000 5.440) 6.119 7.863 ( -3.364 0.000 -1.295) 3.605 7.934 ( 0.082 0.000 -4.597) 4.598 8.052 ( -3.833 0.000 -0.274) 3.842 8.183 ( -0.121 0.000 0.957) 0.965 8.310 ( -0.463 0.000 3.642) 3.671 8.340 ( -2.274 0.000 -4.307) 4.870 8.651 ( 4.359 0.000 -9.784) 10.711 8.690 ( 6.258 0.000 1.881) 6.535 8.751 ( -3.677 0.000 -3.622) 5.162 8.922 ( 5.845 0.000 0.747) 5.893 9.188 ( -15.037 0.000 -3.495) 15.438 9.578 ( -2.293 0.000 2.456) 3.360 9.646 ( 3.604 0.000 5.408) 6.499 9.854 ( -2.110 0.000 -4.920) 5.353 10.127 ( 0.974 0.000 -4.156) 4.268 10.256 ( 5.083 0.000 2.658) 5.736 10.653 ( -3.563 0.000 -0.583) 3.611 10.751 ( -2.918 0.000 -6.198) 6.851 12.840 ( 0.969 0.000 1.478) 1.767 12.925 ( 1.471 0.000 -1.987) 2.472 13.098 ( 0.184 0.000 0.520) 0.551 13.204 ( -2.124 0.000 0.446) 2.170 13.204 ( 2.106 0.000 1.741) 2.732 13.235 ( 0.169 0.000 -1.043) 1.057 13.305 ( 2.077 0.000 2.564) 3.300 13.347 ( 1.739 0.000 -2.503) 3.048 14.069 ( -4.621 0.000 0.448) 4.643 14.094 ( -3.470 0.000 -0.230) 3.478 14.258 ( 1.863 0.000 1.784) 2.579 14.306 ( 2.307 0.000 -2.008) 3.059 14.437 ( -1.305 0.000 8.486) 8.586 14.579 ( -3.285 0.000 -8.778) 9.372 14.612 ( -1.898 0.000 0.118) 1.902 14.677 ( 1.082 0.000 -2.526) 2.748 14.791 ( 3.873 0.000 4.720) 6.106 14.820 ( 0.700 0.000 -0.382) 0.798 14.990 ( -0.505 0.000 -4.564) 4.592 15.032 ( 4.019 0.000 4.191) 5.806 15.157 ( -3.140 0.000 -2.515) 4.023 15.254 ( 0.490 0.000 0.305) 0.577 15.312 ( 1.415 0.000 3.815) 4.069 15.413 ( 8.090 0.000 0.288) 8.095 15.744 ( -2.602 0.000 -1.923) 3.236 15.785 ( 4.092 0.000 7.799) 8.807 16.276 ( -12.325 0.000 2.482) 12.573 16.355 ( -10.884 0.000 5.587) 12.234 16.624 ( -7.183 0.000 -4.204) 8.323 16.885 ( 7.554 0.000 3.395) 8.282 16.891 ( 6.274 0.000 3.712) 7.290 16.977 ( 5.215 0.000 -2.251) 5.680 18.204 ( -0.176 0.000 0.564) 0.591 18.313 ( 1.037 0.000 -0.643) 1.220 18.444 ( 2.104 0.000 1.027) 2.341 18.462 ( 4.892 0.000 -0.257) 4.899 18.711 ( -1.549 0.000 -1.893) 2.446 18.716 ( 0.534 0.000 1.798) 1.876 18.893 ( -1.889 0.000 1.543) 2.439 19.018 ( 1.349 0.000 -1.290) 1.866 19.039 ( -0.017 0.000 2.009) 2.009 19.042 ( -0.385 0.000 -2.702) 2.729 19.177 ( -2.299 0.000 2.172) 3.163 19.426 ( 2.944 0.000 -5.338) 6.096 19.556 ( -2.037 0.000 -0.309) 2.061 19.718 ( 4.259 0.000 -3.809) 5.714 20.039 ( -4.133 0.000 0.612) 4.178 20.057 ( -4.010 0.000 -1.946) 4.457 20.563 ( 2.003 0.000 0.005) 2.003 20.670 ( 7.258 0.000 3.339) 7.989 20.898 ( -1.326 0.000 -5.189) 5.356 20.985 ( 4.220 0.000 3.945) 5.776 21.324 ( -0.495 0.000 0.033) 0.496 21.343 ( -1.099 0.000 -1.033) 1.508 21.427 ( 4.256 0.000 0.749) 4.322 21.500 ( 5.200 0.000 0.230) 5.205 21.874 ( -0.618 0.000 0.712) 0.943 21.875 ( -0.725 0.000 1.296) 1.485 21.982 ( -1.216 0.000 0.388) 1.276 21.994 ( -1.030 0.000 -0.396) 1.103 22.067 ( -3.196 0.000 -1.502) 3.532 22.074 ( -3.291 0.000 -1.835) 3.768 22.356 ( -3.343 0.000 1.683) 3.743 22.401 ( -2.461 0.000 -2.254) 3.337 ======================= Grid point 96 (46/64) ======================= q-point: (-0.17 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( -9.067 0.000 16.864) 19.147 1.037 ( -12.413 0.000 16.838) 20.919 1.510 ( -10.280 0.000 -7.897) 12.963 1.555 ( -10.252 0.000 -13.358) 16.839 1.690 ( -1.763 0.000 1.962) 2.638 1.863 ( -1.433 0.000 7.017) 7.162 1.880 ( 0.655 0.000 4.586) 4.633 1.984 ( 4.993 0.000 3.170) 5.915 2.170 ( -4.003 0.000 18.274) 18.707 2.196 ( -0.285 0.000 -2.728) 2.743 2.260 ( 0.168 0.000 0.039) 0.173 2.448 ( 0.484 0.000 8.431) 8.445 2.473 ( 3.613 0.000 3.107) 4.765 2.539 ( 3.037 0.000 -3.392) 4.553 2.616 ( -4.225 0.000 4.894) 6.465 2.664 ( 0.498 0.000 3.186) 3.224 2.768 ( -3.370 0.000 -2.904) 4.449 2.772 ( 2.728 0.000 -11.064) 11.396 2.784 ( -2.282 0.000 -1.443) 2.700 2.970 ( 6.193 0.000 2.135) 6.551 3.009 ( 6.470 0.000 -2.592) 6.970 3.036 ( 2.127 0.000 -0.806) 2.275 3.055 ( 4.073 0.000 3.368) 5.285 3.139 ( -0.869 0.000 -8.414) 8.459 3.202 ( 0.343 0.000 -3.841) 3.856 3.271 ( -1.364 0.000 0.536) 1.466 3.386 ( 0.273 0.000 0.953) 0.992 3.411 ( -3.593 0.000 -4.773) 5.974 3.490 ( -0.860 0.000 -8.399) 8.443 3.578 ( -1.170 0.000 -4.352) 4.506 3.587 ( -0.413 0.000 -1.913) 1.957 3.629 ( -3.633 0.000 6.897) 7.796 3.723 ( 0.156 0.000 6.515) 6.517 3.724 ( -4.657 0.000 -7.828) 9.108 3.789 ( -5.055 0.000 -6.233) 8.026 3.822 ( 4.141 0.000 1.160) 4.300 3.872 ( -3.769 0.000 -5.192) 6.416 3.937 ( 1.820 0.000 -2.694) 3.251 4.032 ( 3.231 0.000 7.013) 7.721 4.122 ( 2.651 0.000 1.855) 3.236 4.125 ( 0.107 0.000 2.837) 2.839 4.302 ( 5.166 0.000 1.132) 5.288 4.365 ( -1.272 0.000 -0.207) 1.289 4.366 ( -2.649 0.000 7.558) 8.009 4.405 ( -2.329 0.000 0.150) 2.334 4.599 ( 4.378 0.000 3.628) 5.686 4.666 ( 7.403 0.000 -15.901) 17.540 4.731 ( -0.352 0.000 -1.349) 1.394 4.804 ( 5.219 0.000 0.876) 5.292 4.951 ( 0.269 0.000 -2.834) 2.846 4.960 ( 7.943 0.000 -6.762) 10.431 4.985 ( -1.677 0.000 2.578) 3.075 5.236 ( 1.081 0.000 4.062) 4.203 5.310 ( -1.738 0.000 6.169) 6.409 5.329 ( 1.110 0.000 -1.951) 2.245 5.407 ( 5.404 0.000 3.190) 6.276 5.418 ( 5.275 0.000 -10.587) 11.828 5.612 ( -7.264 0.000 -8.392) 11.099 5.619 ( 0.227 0.000 -2.615) 2.625 5.654 ( -2.304 0.000 4.466) 5.025 5.920 ( 5.023 0.000 -2.310) 5.529 5.986 ( -0.991 0.000 10.290) 10.338 6.046 ( -2.564 0.000 1.058) 2.774 6.164 ( 6.827 0.000 0.439) 6.841 6.198 ( -3.027 0.000 -0.752) 3.119 6.234 ( 0.536 0.000 -4.135) 4.169 6.310 ( 0.341 0.000 0.068) 0.347 6.494 ( -1.740 0.000 -0.501) 1.811 6.597 ( 3.192 0.000 5.232) 6.129 6.651 ( 5.980 0.000 -2.380) 6.436 6.675 ( -3.695 0.000 11.584) 12.159 6.684 ( -0.233 0.000 3.240) 3.248 6.872 ( -4.500 0.000 5.611) 7.193 6.889 ( -4.208 0.000 -2.706) 5.003 6.919 ( -4.275 0.000 -1.888) 4.673 7.068 ( -0.903 0.000 -6.199) 6.264 7.151 ( 3.296 0.000 2.520) 4.149 7.288 ( 0.100 0.000 6.083) 6.084 7.293 ( 0.547 0.000 -0.648) 0.848 7.312 ( -0.721 0.000 -3.645) 3.716 7.384 ( -0.945 0.000 4.144) 4.250 7.474 ( 4.360 0.000 1.103) 4.497 7.554 ( -3.738 0.000 2.295) 4.387 7.595 ( -4.474 0.000 5.202) 6.861 7.622 ( 1.004 0.000 0.016) 1.004 7.670 ( 0.523 0.000 -2.168) 2.230 7.842 ( 2.661 0.000 -2.705) 3.794 7.949 ( 1.504 0.000 -4.153) 4.417 8.000 ( 0.073 0.000 -0.304) 0.313 8.139 ( -3.694 0.000 2.409) 4.410 8.279 ( -3.707 0.000 -1.139) 3.878 8.313 ( 0.209 0.000 -0.939) 0.962 8.668 ( -1.562 0.000 -9.080) 9.213 8.766 ( 5.194 0.000 -0.356) 5.206 8.783 ( 1.191 0.000 1.831) 2.184 8.881 ( -11.302 0.000 2.990) 11.691 9.045 ( 4.219 0.000 -1.976) 4.658 9.412 ( -8.966 0.000 -4.208) 9.904 9.799 ( 0.514 0.000 -7.062) 7.081 9.812 ( 6.603 0.000 8.349) 10.644 10.174 ( 2.681 0.000 -5.396) 6.026 10.344 ( 3.485 0.000 3.489) 4.931 10.489 ( -22.620 0.000 -11.123) 25.207 10.571 ( -4.111 0.000 -2.586) 4.857 12.882 ( 2.941 0.000 0.280) 2.954 12.954 ( 0.991 0.000 0.246) 1.021 13.121 ( 2.029 0.000 -1.465) 2.503 13.184 ( -1.958 0.000 1.018) 2.207 13.191 ( 0.755 0.000 1.082) 1.320 13.284 ( 0.969 0.000 -0.253) 1.001 13.360 ( 3.126 0.000 3.303) 4.547 13.374 ( 2.371 0.000 -1.159) 2.639 13.989 ( -3.839 0.000 0.733) 3.908 14.007 ( -4.183 0.000 -2.746) 5.004 14.302 ( 1.700 0.000 2.256) 2.824 14.344 ( 2.262 0.000 -2.640) 3.476 14.441 ( 0.087 0.000 8.895) 8.896 14.508 ( -1.545 0.000 -7.055) 7.222 14.560 ( -2.512 0.000 0.446) 2.552 14.677 ( -0.625 0.000 -2.805) 2.874 14.833 ( 0.614 0.000 1.265) 1.406 14.896 ( 3.241 0.000 -2.071) 3.846 15.025 ( 5.836 0.000 0.581) 5.865 15.087 ( 0.239 0.000 3.794) 3.801 15.131 ( 1.727 0.000 -0.965) 1.979 15.276 ( 1.388 0.000 -0.184) 1.400 15.351 ( 1.776 0.000 5.016) 5.321 15.555 ( 3.429 0.000 -5.633) 6.595 15.729 ( 2.373 0.000 4.797) 5.352 15.926 ( 6.056 0.000 6.482) 8.871 16.069 ( -7.077 0.000 6.475) 9.593 16.175 ( -3.688 0.000 10.488) 11.118 16.480 ( -5.558 0.000 -5.549) 7.854 16.907 ( -5.103 0.000 0.251) 5.109 17.026 ( 5.161 0.000 3.242) 6.094 17.080 ( 4.516 0.000 -1.101) 4.649 18.217 ( 1.237 0.000 0.526) 1.344 18.303 ( -1.387 0.000 -0.482) 1.468 18.501 ( 3.718 0.000 0.331) 3.733 18.560 ( 2.431 0.000 3.080) 3.923 18.685 ( -0.766 0.000 -0.088) 0.771 18.725 ( 0.026 0.000 0.716) 0.717 18.859 ( -1.090 0.000 0.940) 1.439 18.963 ( -3.424 0.000 0.073) 3.425 19.052 ( 0.854 0.000 3.189) 3.302 19.138 ( 3.874 0.000 -4.797) 6.166 19.168 ( 6.032 0.000 -3.189) 6.823 19.466 ( 1.378 0.000 -4.079) 4.305 19.537 ( 0.375 0.000 -0.326) 0.497 19.788 ( 2.311 0.000 -3.751) 4.406 19.894 ( -11.456 0.000 -4.246) 12.217 19.935 ( -6.064 0.000 1.967) 6.375 20.649 ( 5.744 0.000 0.722) 5.789 20.809 ( 3.775 0.000 -2.227) 4.383 20.937 ( 6.906 0.000 -0.732) 6.945 21.040 ( 0.465 0.000 3.796) 3.824 21.319 ( -0.278 0.000 1.570) 1.594 21.335 ( 0.774 0.000 -1.567) 1.748 21.531 ( 5.026 0.000 0.095) 5.027 21.619 ( 5.994 0.000 -0.776) 6.044 21.855 ( -1.496 0.000 0.765) 1.680 21.875 ( 0.146 0.000 2.216) 2.221 21.943 ( -1.981 0.000 -1.406) 2.429 21.950 ( -3.064 0.000 -2.933) 4.241 21.999 ( -2.727 0.000 -0.215) 2.736 22.002 ( -2.484 0.000 1.470) 2.886 22.267 ( -5.325 0.000 0.746) 5.377 22.299 ( -7.359 0.000 -2.625) 7.814 ======================= Grid point 97 (47/64) ======================= q-point: ( 0.00 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( 4.052 6.763 17.604) 19.289 1.088 ( -0.226 15.149 10.778) 18.593 1.377 ( -3.214 0.075 -2.457) 4.046 1.553 ( 2.145 10.080 -12.095) 15.890 1.778 ( 3.739 0.528 6.918) 7.881 1.811 ( -7.147 0.815 12.579) 14.490 1.901 ( -7.038 2.162 3.317) 8.075 1.970 ( 5.076 -0.208 5.611) 7.569 2.136 ( -3.411 -3.879 -0.520) 5.192 2.199 ( 5.394 -0.759 3.105) 6.270 2.273 ( 6.048 -5.573 6.816) 10.682 2.410 ( -4.672 -3.846 1.307) 6.191 2.446 ( -2.349 -2.047 3.765) 4.887 2.477 ( 1.082 -1.413 3.173) 3.638 2.571 ( -5.227 0.112 -1.937) 5.576 2.602 ( -1.699 2.710 -2.267) 3.921 2.744 ( -0.531 2.161 0.287) 2.244 2.831 ( 2.495 0.447 -5.405) 5.970 2.848 ( 3.309 1.147 3.226) 4.761 2.943 ( -0.794 -1.719 -0.151) 1.899 3.021 ( -0.146 -7.677 -10.852) 13.294 3.057 ( 4.834 -0.768 -4.444) 6.611 3.153 ( -1.126 -4.770 1.002) 5.003 3.172 ( 4.271 -0.795 0.069) 4.345 3.217 ( -1.213 2.623 -0.074) 2.891 3.271 ( -0.880 2.781 -1.073) 3.108 3.317 ( 2.617 -2.984 2.595) 4.741 3.360 ( -3.788 1.797 -2.621) 4.944 3.431 ( -2.075 3.099 -2.655) 4.578 3.488 ( -2.133 2.085 -7.139) 7.737 3.611 ( 0.419 0.161 1.815) 1.870 3.647 ( 2.603 0.281 -2.616) 3.701 3.669 ( -0.376 -0.168 -1.880) 1.924 3.717 ( -1.269 -2.914 2.360) 3.959 3.724 ( -2.640 -0.012 -7.034) 7.513 3.771 ( -0.534 -0.947 -1.995) 2.272 3.906 ( -0.330 -2.607 -5.247) 5.868 3.958 ( -0.418 -0.707 -5.684) 5.743 4.012 ( 1.823 -2.725 6.665) 7.428 4.115 ( -0.794 1.800 1.539) 2.497 4.194 ( 4.071 -5.080 5.470) 8.503 4.248 ( -0.164 -3.134 1.490) 3.474 4.337 ( 1.169 -1.420 6.462) 6.718 4.405 ( -0.704 1.322 0.559) 1.599 4.453 ( -0.885 -0.635 1.496) 1.851 4.576 ( -3.521 0.112 -1.936) 4.019 4.659 ( 1.414 -2.790 -4.844) 5.766 4.725 ( 2.647 -6.272 -11.310) 13.201 4.887 ( -2.065 2.842 1.917) 4.001 4.962 ( -1.364 0.434 -2.919) 3.251 4.998 ( 1.731 -4.990 5.980) 7.979 5.094 ( -0.032 -5.172 -2.662) 5.817 5.153 ( 5.592 0.123 2.737) 6.227 5.277 ( -2.349 3.800 -7.185) 8.461 5.301 ( -0.251 -0.049 4.912) 4.918 5.447 ( -2.513 0.394 -8.451) 8.825 5.497 ( 1.508 1.711 1.746) 2.872 5.514 ( -4.586 -2.906 2.964) 6.186 5.631 ( 0.625 6.906 1.612) 7.119 5.711 ( 1.686 0.685 -4.299) 4.669 5.892 ( 0.716 -5.707 2.069) 6.112 5.924 ( 0.314 -5.470 -0.656) 5.518 6.022 ( -0.728 -1.084 4.376) 4.566 6.124 ( 1.943 -0.827 -4.309) 4.799 6.201 ( -1.994 -3.841 5.531) 7.023 6.273 ( -0.185 -1.538 -2.941) 3.324 6.349 ( 4.722 -5.096 9.471) 11.746 6.477 ( -1.877 -4.050 1.859) 4.835 6.517 ( -3.153 3.879 0.269) 5.006 6.568 ( -3.446 -4.303 -0.327) 5.523 6.646 ( -1.569 -2.367 5.212) 5.935 6.745 ( 0.577 -1.482 4.535) 4.805 6.786 ( 0.652 -2.280 -5.431) 5.926 6.886 ( -0.364 4.856 1.225) 5.021 6.926 ( 4.594 -0.842 -1.199) 4.822 6.977 ( -0.486 -5.604 -10.738) 12.122 7.199 ( -0.518 1.048 1.036) 1.562 7.218 ( 1.307 -1.844 -1.923) 2.967 7.331 ( -0.109 2.252 3.002) 3.754 7.345 ( 0.059 1.002 0.515) 1.129 7.495 ( 4.374 4.955 5.437) 8.558 7.516 ( -3.014 3.634 4.292) 6.381 7.548 ( -0.002 5.577 6.410) 8.497 7.639 ( -0.556 5.611 -0.368) 5.651 7.692 ( 4.186 2.788 -2.912) 5.812 7.723 ( 0.272 6.030 -4.441) 7.493 7.895 ( 0.808 -0.245 -0.790) 1.157 7.940 ( -2.648 0.099 -4.093) 4.876 8.099 ( -3.149 2.762 1.557) 4.469 8.128 ( 3.745 4.032 -2.078) 5.883 8.265 ( 2.259 3.167 3.443) 5.195 8.326 ( -1.156 2.424 -2.226) 3.488 8.567 ( -0.853 -6.546 -0.088) 6.602 8.596 ( -1.789 -4.633 -2.332) 5.487 8.773 ( 0.313 -2.588 4.974) 5.616 8.872 ( -1.803 -4.184 -5.392) 7.059 9.229 ( 7.248 8.103 1.309) 10.950 9.281 ( -7.096 5.861 -4.412) 10.207 9.781 ( -12.376 -3.630 6.015) 14.231 9.857 ( 5.662 -3.668 -2.024) 7.043 10.095 ( 0.047 3.507 6.203) 7.126 10.218 ( 0.957 1.466 -6.255) 6.496 10.410 ( 2.847 -0.523 4.017) 4.951 10.483 ( -3.567 -0.952 -3.667) 5.204 12.940 ( -2.235 0.116 0.061) 2.238 12.951 ( 2.649 0.259 -1.293) 2.958 13.136 ( -0.892 0.693 2.962) 3.170 13.189 ( -0.171 1.654 -2.538) 3.034 13.261 ( 1.511 3.081 1.394) 3.704 13.289 ( -1.697 2.763 -1.436) 3.547 13.403 ( 0.190 -0.847 1.765) 1.966 13.424 ( 1.549 -0.198 -0.512) 1.644 13.918 ( 0.017 0.421 1.063) 1.143 13.953 ( -1.240 0.179 -2.805) 3.072 14.341 ( 0.514 -0.357 3.757) 3.809 14.380 ( -2.117 -3.474 4.309) 5.926 14.403 ( 0.431 2.830 -1.347) 3.164 14.484 ( 0.798 0.003 -5.326) 5.385 14.611 ( 3.425 2.159 0.135) 4.051 14.656 ( -1.974 -0.302 -4.052) 4.517 14.827 ( 0.462 -0.938 2.707) 2.902 14.868 ( -1.050 -1.000 -1.903) 2.393 15.017 ( -1.267 -2.439 2.444) 3.678 15.083 ( 0.572 -4.282 -3.771) 5.734 15.283 ( 3.555 3.606 2.665) 5.722 15.321 ( -1.405 2.775 -1.316) 3.378 15.463 ( 2.311 5.166 2.770) 6.301 15.537 ( -3.105 3.044 -4.414) 6.196 15.831 ( 7.057 -0.960 2.107) 7.427 15.848 ( -6.809 -1.364 0.738) 6.984 16.047 ( 5.599 -2.695 9.865) 11.658 16.232 ( -3.292 -4.027 -9.232) 10.596 16.632 ( 16.324 5.191 5.691) 18.050 16.755 ( -8.784 3.810 -6.808) 11.749 17.055 ( -0.914 -2.728 4.252) 5.134 17.112 ( 0.732 -1.776 -1.778) 2.617 18.247 ( 1.611 -0.241 1.064) 1.946 18.269 ( -1.531 0.003 -1.085) 1.876 18.507 ( -2.468 -4.075 0.904) 4.849 18.511 ( 2.852 -5.438 0.524) 6.163 18.713 ( -0.483 2.034 1.988) 2.885 18.743 ( -0.044 2.272 -0.812) 2.413 18.890 ( 1.135 1.094 1.097) 1.920 18.917 ( -0.506 0.379 -1.762) 1.872 19.060 ( -0.464 -1.730 3.259) 3.719 19.103 ( -0.400 -2.294 -0.865) 2.485 19.381 ( 1.062 0.992 0.550) 1.554 19.395 ( -3.820 1.077 -0.784) 4.046 19.614 ( -2.922 3.605 2.205) 5.138 19.675 ( 2.108 5.440 -4.210) 7.195 19.825 ( -5.226 0.828 2.526) 5.863 19.884 ( 3.883 0.253 -3.243) 5.065 20.658 ( 3.570 -7.979 2.819) 9.185 20.702 ( -5.045 -8.393 -1.152) 9.860 20.956 ( 1.167 -3.021 3.083) 4.472 21.032 ( 0.218 -4.677 -4.748) 6.669 21.393 ( 1.825 5.517 1.125) 5.919 21.415 ( -0.185 4.041 -0.918) 4.148 21.601 ( 1.239 -0.095 0.364) 1.295 21.620 ( -5.402 -0.058 -1.538) 5.617 21.849 ( -1.610 0.117 2.117) 2.662 21.881 ( 2.772 0.159 -0.291) 2.792 21.895 ( -0.785 -1.675 -0.012) 1.850 21.917 ( 0.026 -0.745 -1.579) 1.746 22.007 ( -0.300 1.666 0.225) 1.708 22.021 ( 3.067 1.692 -1.234) 3.714 22.175 ( 0.124 0.187 1.519) 1.535 22.196 ( -1.227 0.161 -0.779) 1.463 ======================= Grid point 98 (48/64) ======================= q-point: ( 0.17 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( 6.015 -0.789 8.351) 10.322 1.267 ( 10.622 11.505 9.119) 18.121 1.405 ( 6.861 -0.616 -3.356) 7.663 1.540 ( -1.266 2.288 -2.134) 3.375 1.704 ( 0.683 6.337 1.816) 6.628 1.760 ( -5.209 1.042 5.418) 7.587 1.946 ( 5.619 -3.444 5.739) 8.739 2.104 ( 1.814 1.392 4.667) 5.197 2.112 ( -0.734 -2.690 -7.887) 8.366 2.194 ( -6.476 -4.355 10.576) 13.144 2.293 ( 3.035 2.673 2.433) 4.720 2.363 ( -4.631 -4.702 0.554) 6.623 2.421 ( -3.038 -1.646 0.666) 3.519 2.471 ( 5.317 -4.546 3.863) 7.991 2.579 ( 5.217 -2.309 4.115) 7.035 2.613 ( 1.604 7.385 1.927) 7.799 2.698 ( -3.943 0.202 -0.493) 3.979 2.847 ( -1.611 -5.204 -0.920) 5.525 2.900 ( -1.438 -2.262 -3.535) 4.436 2.926 ( -0.950 -2.667 -0.782) 2.937 2.973 ( -0.603 -0.097 0.636) 0.882 3.054 ( -4.478 1.124 -7.689) 8.969 3.115 ( 0.172 5.215 -4.932) 7.179 3.176 ( -1.793 -1.009 2.432) 3.185 3.227 ( 1.605 -4.424 -2.480) 5.319 3.302 ( 1.907 3.094 2.239) 4.269 3.346 ( 5.117 0.664 -0.282) 5.168 3.367 ( -1.248 3.771 -5.312) 6.633 3.437 ( -0.736 5.169 -0.444) 5.240 3.477 ( 2.863 -6.251 -1.520) 7.041 3.543 ( -0.434 2.106 -0.218) 2.161 3.636 ( 0.094 -0.550 1.649) 1.741 3.685 ( 1.201 -1.019 -0.706) 1.726 3.728 ( 0.475 0.190 0.481) 0.702 3.750 ( -0.056 -1.135 0.128) 1.143 3.835 ( 7.954 -2.563 -3.190) 8.944 3.856 ( -2.873 -5.871 -4.086) 7.708 3.920 ( -1.018 -0.892 -0.605) 1.482 4.052 ( -1.885 -1.210 0.671) 2.338 4.123 ( 2.298 2.826 -0.541) 3.682 4.189 ( -2.072 -3.202 0.929) 3.926 4.294 ( 1.197 -6.822 2.184) 7.262 4.345 ( -2.231 2.744 1.470) 3.830 4.418 ( -1.695 -0.564 0.581) 1.879 4.443 ( 4.007 -0.065 0.571) 4.048 4.480 ( -2.075 1.177 0.843) 2.530 4.664 ( -3.844 -2.576 -7.906) 9.160 4.702 ( -1.096 -2.910 -4.413) 5.398 4.793 ( -5.514 1.141 0.441) 5.648 4.895 ( -8.555 -5.047 -0.234) 9.936 5.016 ( -0.576 7.868 4.217) 8.945 5.050 ( -1.805 -7.352 -3.871) 8.503 5.180 ( -2.234 -1.332 -5.720) 6.283 5.253 ( 0.093 1.701 3.799) 4.163 5.317 ( -1.679 1.524 3.831) 4.452 5.412 ( -0.245 1.902 -4.140) 4.563 5.457 ( 4.617 0.600 5.932) 7.541 5.587 ( 3.675 -2.699 0.979) 4.664 5.615 ( -1.139 6.377 -4.263) 7.755 5.702 ( -2.260 -2.979 -5.421) 6.585 5.880 ( -2.448 -0.729 1.033) 2.755 5.952 ( 1.912 -7.794 0.377) 8.034 6.027 ( -2.044 -8.096 1.401) 8.466 6.116 ( -1.305 -3.703 2.619) 4.719 6.145 ( -4.004 -0.008 1.535) 4.288 6.221 ( 0.129 0.928 -1.653) 1.900 6.390 ( -4.355 -4.851 -5.315) 8.411 6.453 ( 2.192 -1.111 10.530) 10.813 6.489 ( -2.285 -0.480 1.828) 2.965 6.518 ( -1.125 0.306 5.307) 5.433 6.654 ( 4.297 -4.444 -0.537) 6.205 6.780 ( 0.670 -0.165 4.013) 4.072 6.816 ( 2.385 -1.087 -1.710) 3.129 6.862 ( -0.535 2.062 4.450) 4.933 7.016 ( 5.097 -5.200 -9.237) 11.762 7.054 ( 6.168 -3.737 -4.153) 8.322 7.178 ( -5.629 -0.550 1.481) 5.846 7.205 ( 1.451 0.399 -0.919) 1.763 7.323 ( 1.016 2.028 0.206) 2.277 7.361 ( -0.360 1.425 0.631) 1.599 7.484 ( -0.991 4.043 4.163) 5.887 7.518 ( -2.772 3.791 3.047) 5.598 7.554 ( -0.341 4.927 5.398) 7.316 7.633 ( 0.422 3.934 -4.455) 5.958 7.704 ( -2.694 3.636 -6.306) 7.762 7.775 ( 3.896 4.117 0.667) 5.707 7.881 ( -0.962 1.050 2.074) 2.516 7.934 ( 1.663 3.972 -6.716) 7.978 8.043 ( 1.168 0.649 -0.179) 1.348 8.171 ( 0.525 2.706 -1.191) 3.003 8.287 ( -1.400 1.683 -0.135) 2.193 8.399 ( 6.108 3.041 -3.185) 7.529 8.527 ( -0.341 1.045 0.984) 1.475 8.603 ( 0.095 -8.112 1.207) 8.202 8.806 ( -0.063 -2.358 5.459) 5.947 8.902 ( 6.209 -2.576 -0.622) 6.751 9.119 ( -5.820 4.544 -3.865) 8.334 9.431 ( 10.436 9.343 1.450) 14.082 9.634 ( 0.190 -3.056 5.413) 6.219 9.937 ( -2.228 0.444 -0.418) 2.309 10.119 ( -0.314 5.099 3.712) 6.314 10.317 ( 10.238 -4.008 -0.203) 10.996 10.409 ( -2.673 -1.508 -3.673) 4.787 10.480 ( 3.315 -1.635 4.872) 6.116 12.895 ( -1.772 0.511 -0.358) 1.879 12.988 ( 0.173 1.531 -1.159) 1.928 13.087 ( -2.629 -0.023 1.734) 3.150 13.171 ( -0.983 -0.493 -0.339) 1.151 13.246 ( -1.125 2.502 -0.042) 2.744 13.307 ( 0.971 2.226 1.405) 2.805 13.356 ( -4.422 -0.299 -0.171) 4.436 13.411 ( -2.334 0.052 -2.047) 3.105 13.948 ( 3.143 0.046 0.296) 3.157 14.009 ( 5.819 0.544 0.436) 5.860 14.314 ( -3.057 2.184 2.799) 4.685 14.361 ( -1.093 -0.607 1.031) 1.621 14.409 ( 1.543 3.109 2.431) 4.238 14.529 ( 3.316 -3.198 -3.440) 5.749 14.614 ( -1.088 -0.659 -6.137) 6.268 14.684 ( 3.117 1.971 -0.046) 3.688 14.807 ( -2.854 -1.729 1.091) 3.510 14.851 ( -0.770 -0.203 -0.013) 0.797 14.967 ( -2.623 1.435 2.910) 4.172 15.083 ( -0.061 -5.373 -2.006) 5.736 15.245 ( -4.252 2.083 -2.955) 5.581 15.335 ( 0.672 5.042 0.296) 5.096 15.437 ( -3.591 1.983 0.265) 4.111 15.511 ( -2.618 5.557 0.348) 6.153 15.763 ( -0.195 -2.785 -0.539) 2.843 15.959 ( 3.530 -1.081 -0.415) 3.714 16.183 ( 3.887 -4.139 -3.110) 6.474 16.238 ( 8.289 -1.776 1.655) 8.637 16.515 ( -7.473 2.555 -7.826) 11.119 16.950 ( 8.012 0.828 -2.471) 8.425 16.979 ( -6.189 -4.008 3.094) 7.996 17.085 ( -3.715 -0.012 -0.823) 3.805 18.240 ( -1.009 0.389 -1.363) 1.740 18.279 ( 1.244 -0.779 1.381) 2.015 18.441 ( -4.249 -4.002 1.503) 6.027 18.525 ( -2.661 -5.307 0.985) 6.018 18.700 ( -0.797 2.366 2.101) 3.263 18.740 ( 0.415 1.771 0.180) 1.827 18.885 ( 0.238 0.621 1.714) 1.839 18.987 ( 4.419 0.117 -1.669) 4.725 19.010 ( -3.300 0.446 2.979) 4.468 19.124 ( 1.193 -1.652 1.436) 2.493 19.211 ( -3.894 6.977 -3.880) 8.882 19.405 ( -2.212 0.929 1.628) 2.899 19.560 ( -0.487 2.357 -0.287) 2.424 19.723 ( -3.401 -0.431 2.853) 4.460 19.868 ( 8.989 2.322 0.090) 9.284 19.967 ( 4.491 0.214 -1.125) 4.634 20.594 ( -4.683 -5.490 -0.649) 7.246 20.691 ( -0.442 -5.397 4.126) 6.808 20.922 ( -5.330 -1.144 -0.302) 5.460 21.014 ( -0.541 -7.396 -2.821) 7.934 21.320 ( -2.842 2.521 -1.047) 3.940 21.425 ( -2.356 3.692 -0.602) 4.421 21.522 ( -4.545 0.042 1.000) 4.654 21.582 ( -3.900 -0.560 2.297) 4.561 21.860 ( 2.835 0.711 1.993) 3.538 21.883 ( 0.113 -0.941 0.360) 1.014 21.918 ( 0.682 -0.089 -0.543) 0.876 21.929 ( 2.003 0.051 -0.602) 2.092 22.023 ( 2.222 0.748 -1.442) 2.753 22.055 ( 1.180 1.610 -1.808) 2.693 22.247 ( 6.203 -0.817 0.578) 6.283 22.294 ( 6.591 0.115 -0.628) 6.622 ======================= Grid point 99 (49/64) ======================= q-point: ( 0.33 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( 11.711 -8.768 3.874) 15.134 1.403 ( 7.157 -0.268 -4.356) 8.382 1.558 ( 4.079 5.593 -2.041) 7.217 1.616 ( -1.202 -2.672 7.834) 8.364 1.687 ( 4.903 1.013 5.071) 7.126 1.820 ( 6.100 -1.634 1.427) 6.475 1.974 ( -1.612 -2.245 -1.964) 3.390 1.989 ( -2.667 -3.353 3.278) 5.394 2.111 ( -1.271 1.168 -2.156) 2.762 2.157 ( -1.506 -1.889 5.548) 6.052 2.272 ( -2.814 -6.126 0.834) 6.792 2.313 ( -0.370 0.377 1.341) 1.441 2.425 ( -0.656 -2.960 1.460) 3.365 2.561 ( 0.254 0.171 -3.905) 3.917 2.582 ( -3.225 -1.586 2.520) 4.389 2.651 ( -1.406 -0.377 0.153) 1.463 2.730 ( -0.831 0.269 2.108) 2.281 2.737 ( 4.922 1.410 0.767) 5.177 2.876 ( -2.533 -1.354 -6.791) 7.373 2.928 ( -1.037 2.727 -1.035) 3.096 2.944 ( -2.487 0.540 3.329) 4.190 2.981 ( 0.599 3.753 -0.930) 3.913 3.088 ( 0.284 2.046 -0.752) 2.198 3.197 ( 1.659 -2.163 1.989) 3.375 3.235 ( -6.418 -5.890 5.751) 10.438 3.272 ( 1.372 -0.486 -2.377) 2.787 3.306 ( -3.013 1.233 -4.284) 5.381 3.411 ( -4.184 -3.080 0.406) 5.211 3.486 ( 7.857 -0.599 -0.253) 7.884 3.537 ( 7.144 2.562 -4.523) 8.836 3.641 ( 4.111 -0.516 1.199) 4.314 3.656 ( 1.709 -0.338 1.544) 2.328 3.708 ( 1.360 -1.884 0.871) 2.481 3.747 ( -3.637 -2.828 1.476) 4.838 3.779 ( 3.315 2.184 1.132) 4.128 3.819 ( 3.638 -2.557 -2.456) 5.080 3.896 ( -2.103 0.265 -4.005) 4.531 3.965 ( 4.296 1.790 2.785) 5.424 3.994 ( -0.367 1.202 -1.306) 1.813 4.107 ( -5.148 -0.027 0.573) 5.180 4.177 ( -0.688 1.515 1.593) 2.303 4.262 ( 0.373 0.939 2.575) 2.766 4.337 ( 0.993 1.752 -3.797) 4.298 4.422 ( -0.618 1.555 0.859) 1.881 4.464 ( -2.535 -5.073 4.111) 7.005 4.512 ( -2.526 -2.944 -8.183) 9.056 4.533 ( 1.504 -0.802 -1.781) 2.465 4.665 ( -3.384 1.722 2.897) 4.776 4.715 ( -3.415 2.123 -9.658) 10.462 4.721 ( -3.859 -0.719 4.100) 5.676 4.990 ( -1.237 -5.042 0.134) 5.194 5.011 ( -2.685 -5.720 -3.160) 7.065 5.120 ( -0.845 4.462 -1.392) 4.750 5.255 ( 0.232 2.141 3.516) 4.124 5.309 ( -3.234 3.524 -3.112) 5.706 5.372 ( -2.548 2.859 -5.321) 6.556 5.530 ( -1.400 -0.546 4.720) 4.954 5.565 ( 1.761 1.252 4.124) 4.656 5.663 ( 1.840 -4.826 -2.344) 5.672 5.715 ( 3.634 -2.046 -6.168) 7.446 5.801 ( -3.656 -2.849 -3.224) 5.645 5.858 ( -8.096 -6.518 0.590) 10.410 6.001 ( -1.379 -1.809 4.462) 5.008 6.091 ( -0.784 -3.418 0.666) 3.569 6.161 ( 2.914 -5.032 2.410) 6.295 6.249 ( 1.236 -8.952 -4.483) 10.088 6.328 ( 0.101 -0.520 -2.018) 2.086 6.445 ( 0.133 0.874 2.304) 2.468 6.507 ( 0.758 -0.795 9.126) 9.192 6.540 ( 1.768 3.364 0.050) 3.801 6.707 ( -0.712 -0.263 3.017) 3.111 6.821 ( 3.708 1.588 2.748) 4.881 6.860 ( 2.625 -0.909 -0.067) 2.779 6.904 ( 3.299 -3.833 5.868) 7.746 7.070 ( -5.750 -1.613 4.135) 7.263 7.095 ( 1.896 -1.677 -4.536) 5.194 7.140 ( 3.726 -5.246 -1.879) 6.703 7.230 ( 1.700 1.465 -5.114) 5.585 7.294 ( -3.312 2.266 -0.577) 4.054 7.333 ( -1.745 0.764 0.196) 1.915 7.443 ( -2.329 2.772 1.219) 3.820 7.475 ( -3.354 3.316 -0.748) 4.775 7.576 ( 1.536 2.460 3.206) 4.323 7.623 ( -1.562 4.998 -0.126) 5.238 7.666 ( 1.596 1.333 -1.201) 2.401 7.794 ( -2.192 3.162 3.210) 5.011 7.922 ( 4.020 1.979 -3.936) 5.964 7.969 ( 2.650 5.746 -3.555) 7.258 8.102 ( 3.487 -2.656 0.596) 4.424 8.150 ( -0.927 -0.198 -2.857) 3.010 8.251 ( -2.320 1.077 1.066) 2.771 8.417 ( -4.279 -3.302 -5.247) 7.532 8.591 ( 6.543 8.143 -2.551) 10.753 8.612 ( 0.516 -1.829 5.938) 6.235 8.795 ( -0.316 1.224 2.430) 2.739 8.959 ( -3.995 0.250 -4.043) 5.689 9.151 ( 11.135 2.450 2.097) 11.593 9.615 ( 5.395 3.218 2.422) 6.732 9.724 ( 4.584 -0.215 -2.943) 5.452 9.830 ( -4.109 4.318 0.635) 5.995 10.103 ( -0.945 4.139 2.493) 4.923 10.313 ( -4.813 -1.654 -4.251) 6.631 10.546 ( 7.437 -6.433 5.363) 11.200 10.560 ( 4.545 -4.278 3.902) 7.361 12.877 ( 0.053 1.176 -0.310) 1.218 12.940 ( -3.188 3.815 -0.046) 4.972 13.087 ( 1.316 -2.799 -0.153) 3.097 13.157 ( -0.082 -2.745 -1.157) 2.980 13.233 ( -0.945 2.085 0.730) 2.403 13.263 ( -3.287 0.459 1.147) 3.512 13.309 ( -0.926 1.291 0.811) 1.784 13.351 ( -2.829 -0.019 -1.976) 3.451 14.032 ( 4.925 -0.448 0.159) 4.947 14.144 ( 6.868 0.978 1.167) 7.034 14.252 ( -3.567 2.116 0.029) 4.147 14.318 ( -2.877 1.441 1.274) 3.461 14.468 ( 2.485 4.044 6.365) 7.940 14.592 ( 1.864 -1.459 -6.533) 6.949 14.600 ( 2.380 -1.788 -3.607) 4.677 14.703 ( -3.084 2.542 0.069) 3.997 14.758 ( 0.388 -2.011 1.985) 2.852 14.828 ( -1.261 0.209 -0.004) 1.278 14.945 ( -0.188 3.654 2.476) 4.418 15.087 ( -0.645 -3.594 -1.362) 3.898 15.160 ( -1.856 0.348 -2.952) 3.505 15.329 ( -2.397 5.607 -0.313) 6.105 15.365 ( -2.110 0.815 0.276) 2.278 15.429 ( -4.623 5.061 0.747) 6.895 15.762 ( -0.314 -0.942 -3.627) 3.761 15.947 ( -4.139 0.622 -5.261) 6.723 16.295 ( 7.617 -3.539 -2.683) 8.817 16.405 ( 7.645 -1.744 -0.194) 7.844 16.517 ( 6.355 -1.156 2.861) 7.064 16.825 ( -8.502 -4.556 2.366) 9.932 16.954 ( -6.743 0.883 2.807) 7.357 16.995 ( -3.690 1.157 -3.714) 5.362 18.231 ( 0.368 0.258 -1.132) 1.218 18.281 ( -2.050 -0.512 1.914) 2.851 18.366 ( -1.703 -2.820 2.912) 4.397 18.457 ( -2.710 -1.224 -0.793) 3.078 18.704 ( 0.558 2.017 2.117) 2.976 18.765 ( 1.464 1.431 -0.737) 2.176 18.916 ( 2.226 1.930 2.711) 4.004 18.962 ( -1.142 3.348 2.152) 4.140 19.048 ( 1.079 -0.536 -1.032) 1.587 19.102 ( -1.714 0.832 -1.722) 2.568 19.251 ( 4.090 -1.763 -4.168) 6.100 19.342 ( -3.253 0.934 0.300) 3.398 19.576 ( 2.172 1.553 -1.048) 2.868 19.665 ( -2.746 -0.132 1.858) 3.318 19.996 ( 3.727 -1.729 1.494) 4.371 20.052 ( 3.313 0.170 -0.200) 3.324 20.541 ( -0.278 -1.549 -0.878) 1.802 20.674 ( -2.564 -1.168 3.823) 4.749 20.806 ( -3.201 -2.763 -0.543) 4.263 20.987 ( -2.490 -6.368 -2.094) 7.151 21.297 ( 0.201 -0.799 -1.181) 1.440 21.371 ( -2.411 0.963 0.329) 2.617 21.435 ( -3.370 0.061 -0.189) 3.376 21.492 ( -4.337 -0.038 0.816) 4.413 21.871 ( 0.190 -0.680 -0.196) 0.733 21.908 ( -0.961 -0.269 -1.022) 1.428 21.951 ( 3.315 0.937 2.949) 4.535 21.986 ( 2.437 1.175 1.727) 3.209 22.071 ( 2.587 0.129 -1.981) 3.261 22.093 ( 2.204 0.710 -1.969) 3.039 22.354 ( 3.690 -0.375 1.462) 3.987 22.389 ( 2.953 -0.173 -1.312) 3.236 ======================= Grid point 100 (50/64) ======================= q-point: (-0.50 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( -2.960 -9.649 7.880) 12.805 1.471 ( -10.066 3.832 4.320) 11.605 1.517 ( -0.128 4.046 -3.481) 5.339 1.635 ( 12.948 -9.312 -9.606) 18.618 1.787 ( -0.459 -6.255 4.523) 7.733 1.847 ( -0.769 -3.328 4.786) 5.880 1.977 ( 3.024 -1.794 -2.299) 4.201 2.070 ( -0.556 -6.033 -0.716) 6.101 2.130 ( 5.360 2.618 -4.058) 7.215 2.145 ( -1.109 -9.235 1.098) 9.366 2.234 ( -1.042 1.094 11.714) 11.811 2.306 ( 1.524 -1.397 5.107) 5.510 2.424 ( 1.878 -2.896 -5.733) 6.692 2.435 ( -5.972 5.656 -8.350) 11.721 2.584 ( 1.012 -0.351 4.427) 4.554 2.626 ( 0.403 -0.203 2.448) 2.489 2.697 ( -6.417 0.754 -1.858) 6.723 2.752 ( 0.537 3.067 1.615) 3.507 2.833 ( -2.266 2.652 -5.145) 6.216 2.904 ( 2.780 1.862 -3.708) 4.995 2.995 ( -0.673 1.494 4.566) 4.851 3.037 ( 5.123 3.374 2.857) 6.767 3.093 ( -2.188 -3.287 6.480) 7.588 3.108 ( -2.061 -4.148 0.371) 4.646 3.198 ( -1.826 -2.614 -3.129) 4.467 3.269 ( 2.009 -0.470 -4.265) 4.738 3.345 ( 3.551 -3.551 1.450) 5.227 3.351 ( -1.542 1.030 -2.594) 3.189 3.535 ( -5.067 -3.032 4.169) 7.228 3.562 ( -4.524 -1.863 2.101) 5.325 3.638 ( 3.701 -2.692 2.085) 5.030 3.704 ( -3.906 3.676 2.669) 5.991 3.743 ( 1.906 -3.483 -3.389) 5.221 3.766 ( 5.570 0.198 -0.822) 5.633 3.810 ( -6.590 1.994 0.281) 6.891 3.829 ( 1.588 1.647 -2.502) 3.390 3.917 ( 6.368 0.863 1.941) 6.713 3.977 ( -4.573 -2.293 -3.226) 6.048 4.012 ( 1.187 3.354 5.862) 6.857 4.083 ( 3.473 1.678 2.591) 4.647 4.152 ( -1.068 4.056 0.540) 4.229 4.277 ( -0.389 -2.720 -12.227) 12.532 4.356 ( -2.444 -1.539 2.687) 3.945 4.387 ( -2.846 1.906 0.893) 3.539 4.424 ( 7.580 0.477 8.208) 11.183 4.508 ( 1.727 -0.436 0.431) 1.832 4.577 ( 1.097 3.032 1.588) 3.594 4.613 ( -3.694 0.431 -4.928) 6.174 4.697 ( 2.483 -1.762 -6.654) 7.318 4.713 ( 2.429 2.758 -9.395) 10.088 4.953 ( -1.329 -7.259 -1.334) 7.499 4.983 ( 1.682 -4.957 -5.040) 7.267 5.140 ( 2.062 2.100 0.045) 2.944 5.168 ( -5.809 3.465 -4.025) 7.871 5.286 ( 1.695 1.670 3.251) 4.029 5.351 ( -1.046 2.496 -3.327) 4.289 5.511 ( -1.841 0.957 5.296) 5.688 5.585 ( 1.589 2.110 1.752) 3.170 5.646 ( -2.051 -6.658 0.997) 7.037 5.729 ( -3.209 -5.042 0.246) 5.981 5.769 ( 1.930 -2.125 -5.978) 6.632 5.807 ( 2.353 -6.844 -0.950) 7.300 5.990 ( -0.131 0.695 5.902) 5.944 6.059 ( -1.642 -3.115 -1.593) 3.865 6.233 ( 2.840 -2.549 -2.405) 4.511 6.242 ( -0.990 -11.650 -2.410) 11.938 6.368 ( 3.346 -1.513 1.913) 4.140 6.450 ( -3.140 -1.565 -2.421) 4.263 6.496 ( 0.604 2.475 5.676) 6.221 6.590 ( 2.338 2.588 -2.282) 4.168 6.727 ( 1.490 1.645 8.457) 8.743 6.830 ( -1.567 3.733 -0.986) 4.167 6.922 ( 0.655 -4.304 4.653) 6.372 6.944 ( -5.590 -2.856 9.178) 11.119 6.997 ( 3.219 -4.063 -1.156) 5.311 7.085 ( 0.255 3.093 -1.151) 3.310 7.203 ( 0.979 -1.404 2.313) 2.878 7.232 ( -1.093 -0.322 -1.810) 2.139 7.264 ( -4.855 -2.288 -1.783) 5.656 7.294 ( 3.412 2.825 -4.791) 6.525 7.397 ( -1.677 2.344 0.965) 3.040 7.427 ( -0.316 1.932 -1.340) 2.372 7.556 ( -2.332 0.867 4.732) 5.346 7.632 ( 1.235 4.946 0.717) 5.148 7.729 ( 3.006 3.096 3.961) 5.858 7.747 ( -1.980 1.422 -2.245) 3.314 7.964 ( -1.754 2.497 -2.937) 4.235 7.977 ( 0.696 3.417 -2.067) 4.054 8.136 ( -0.219 -0.691 2.963) 3.050 8.174 ( -1.194 1.947 -2.384) 3.301 8.217 ( 0.392 -2.228 2.235) 3.180 8.336 ( 0.790 -6.624 -8.130) 10.517 8.586 ( -2.974 5.713 7.855) 10.158 8.741 ( 7.078 1.889 -5.213) 8.991 8.815 ( 1.016 2.641 0.489) 2.872 8.865 ( -2.583 4.130 -7.074) 8.589 9.391 ( 8.811 1.150 6.136) 10.798 9.503 ( -9.497 1.291 -5.089) 10.851 9.801 ( -4.330 4.244 2.818) 6.686 9.836 ( 6.002 4.440 -1.086) 7.544 10.134 ( 2.915 -0.178 2.237) 3.679 10.207 ( -3.271 0.708 -5.307) 6.275 10.609 ( 0.293 -8.019 5.281) 9.606 10.661 ( 2.917 -5.643 -0.132) 6.354 12.869 ( -1.329 2.518 2.340) 3.685 12.921 ( 1.734 2.452 -3.172) 4.368 13.112 ( 1.003 -2.812 0.916) 3.123 13.125 ( -2.837 -1.301 -0.323) 3.138 13.238 ( 0.178 -0.576 0.204) 0.636 13.239 ( 1.368 0.300 0.027) 1.401 13.293 ( -0.902 0.717 0.993) 1.521 13.315 ( 0.415 0.368 -1.225) 1.345 14.130 ( 2.927 1.035 1.327) 3.376 14.164 ( -3.103 0.128 -1.807) 3.593 14.253 ( -2.291 1.165 1.499) 2.975 14.269 ( 3.206 2.121 -0.003) 3.844 14.477 ( -2.173 1.929 6.746) 7.345 14.598 ( -1.003 -0.951 -4.092) 4.320 14.647 ( 0.859 1.367 -1.600) 2.273 14.677 ( 2.693 1.334 -2.770) 4.087 14.776 ( -0.119 1.402 2.721) 3.063 14.817 ( 0.621 0.975 -1.126) 1.613 14.961 ( 1.579 1.678 2.944) 3.739 15.027 ( -2.744 -1.118 -3.793) 4.813 15.207 ( 4.199 -2.063 1.576) 4.936 15.247 ( -3.491 0.938 -2.286) 4.278 15.346 ( -3.317 4.807 1.561) 6.045 15.370 ( 1.616 4.812 -0.535) 5.104 15.766 ( 1.072 2.652 0.659) 2.935 15.831 ( -4.911 1.286 -5.839) 7.738 16.436 ( -4.830 -4.235 2.256) 6.808 16.448 ( 2.044 -3.657 1.066) 4.323 16.653 ( 4.812 -3.657 4.095) 7.301 16.704 ( -2.322 -3.207 -0.778) 4.035 16.851 ( -1.733 1.939 4.503) 5.200 16.929 ( 0.414 2.411 -3.419) 4.204 18.226 ( -1.730 -0.041 1.894) 2.566 18.264 ( 2.045 0.075 -1.739) 2.685 18.378 ( 1.668 -2.231 1.982) 3.419 18.419 ( -0.963 -1.123 -2.023) 2.506 18.720 ( 0.590 2.119 2.747) 3.519 18.775 ( -0.283 2.621 -2.726) 3.792 18.942 ( -0.702 2.882 4.006) 4.985 18.986 ( 3.282 2.293 -0.482) 4.032 19.044 ( -0.774 -0.251 0.255) 0.853 19.072 ( -1.206 -0.064 -2.246) 2.550 19.238 ( -3.991 -0.490 4.415) 5.972 19.351 ( 3.368 -1.818 -6.858) 7.854 19.613 ( -2.532 0.475 0.484) 2.621 19.638 ( 3.853 0.453 -2.426) 4.575 20.044 ( 0.941 -2.858 2.437) 3.872 20.077 ( -0.582 -1.462 -1.098) 1.919 20.579 ( -0.535 1.484 0.515) 1.659 20.583 ( -0.251 0.266 0.125) 0.386 20.842 ( 4.016 -4.083 3.552) 6.739 20.914 ( -3.401 -5.186 -3.847) 7.298 21.317 ( -2.527 -2.004 -0.276) 3.237 21.322 ( 2.520 -1.802 -0.787) 3.196 21.423 ( 0.340 0.782 0.553) 1.017 21.429 ( -0.445 0.926 -0.022) 1.027 21.878 ( 0.337 -0.454 0.347) 0.663 21.883 ( -1.266 -0.694 -0.237) 1.464 21.994 ( 0.578 0.995 2.457) 2.713 22.016 ( 0.466 1.474 0.919) 1.798 22.101 ( 0.190 -0.093 -1.742) 1.755 22.116 ( 0.103 0.438 -2.575) 2.614 22.391 ( -0.204 0.050 1.599) 1.612 22.417 ( 0.200 -0.329 -1.084) 1.150 ======================= Grid point 101 (51/64) ======================= q-point: (-0.33 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( -15.345 -2.690 9.691) 18.347 1.287 ( -8.678 2.755 11.421) 14.606 1.638 ( 3.037 -0.858 -4.812) 5.754 1.704 ( -5.205 -8.936 -6.732) 12.340 1.726 ( -0.729 -4.132 0.172) 4.200 1.877 ( 1.371 -1.768 4.172) 4.734 1.949 ( -8.348 5.409 -5.708) 11.469 2.028 ( 3.293 -0.173 -4.208) 5.347 2.119 ( -3.256 -3.139 0.569) 4.559 2.189 ( 2.283 -1.000 4.240) 4.918 2.252 ( -0.002 -3.469 1.602) 3.821 2.311 ( 1.200 -1.635 1.211) 2.362 2.436 ( 4.145 4.860 4.296) 7.697 2.496 ( -0.688 -0.054 -3.751) 3.814 2.579 ( 4.153 -0.865 6.190) 7.505 2.629 ( -2.033 -0.283 7.374) 7.655 2.707 ( 3.732 -3.587 -0.000) 5.176 2.752 ( -0.765 -1.241 -0.102) 1.462 2.808 ( 2.043 0.178 -2.112) 2.944 2.903 ( -4.025 4.140 1.940) 6.091 2.951 ( 2.664 3.875 -4.232) 6.326 3.050 ( -0.952 -0.700 -1.959) 2.287 3.077 ( -2.182 -2.038 7.410) 7.989 3.156 ( 0.513 -4.714 -4.624) 6.623 3.229 ( 3.936 3.446 -2.107) 5.639 3.277 ( -0.720 -0.242 4.064) 4.134 3.354 ( 6.637 -7.569 -5.565) 11.503 3.429 ( 2.512 -0.479 0.772) 2.671 3.475 ( -3.364 0.950 -3.605) 5.021 3.500 ( -1.535 -1.126 6.615) 6.883 3.529 ( -7.388 2.720 -3.122) 8.469 3.677 ( -2.313 -2.644 5.495) 6.522 3.698 ( -1.394 -2.998 5.007) 6.000 3.771 ( -0.979 -5.452 -0.132) 5.541 3.836 ( -0.564 5.224 -7.102) 8.835 3.868 ( 2.287 -1.846 -1.640) 3.366 3.891 ( -1.672 0.105 -2.831) 3.289 3.979 ( -1.452 1.626 -2.437) 3.269 4.047 ( 2.918 0.111 5.179) 5.946 4.087 ( -4.621 2.332 -2.194) 5.622 4.131 ( 0.647 1.632 2.554) 3.100 4.295 ( 0.764 -2.812 -6.277) 6.920 4.342 ( 0.057 1.460 2.924) 3.269 4.380 ( 2.868 -2.171 1.647) 3.956 4.462 ( -4.949 4.953 -3.245) 7.717 4.526 ( 2.132 -2.749 -5.857) 6.812 4.566 ( 0.854 1.226 -0.719) 1.658 4.675 ( 4.720 -2.176 -2.351) 5.704 4.743 ( 5.993 2.176 0.089) 6.376 4.766 ( 3.227 0.080 -7.575) 8.234 4.971 ( 2.487 -8.704 -0.924) 9.099 5.065 ( 4.682 1.788 -4.795) 6.936 5.082 ( -1.774 3.246 -0.723) 3.769 5.212 ( 4.102 -0.429 5.824) 7.136 5.309 ( -1.658 -0.189 -2.048) 2.642 5.330 ( 2.509 0.641 3.587) 4.424 5.503 ( 1.860 6.058 0.209) 6.341 5.606 ( -1.157 -3.959 3.081) 5.148 5.636 ( -0.420 -3.724 -1.733) 4.129 5.715 ( -1.873 -4.557 -3.764) 6.200 5.790 ( 5.187 0.711 -3.572) 6.337 5.858 ( 2.395 -7.799 6.895) 10.682 6.027 ( -0.446 -5.375 0.911) 5.470 6.031 ( 2.420 0.833 3.457) 4.301 6.215 ( -0.941 -6.658 0.209) 6.728 6.234 ( -1.761 -2.298 -6.131) 6.780 6.373 ( -3.323 -1.749 -5.848) 6.950 6.446 ( 1.752 -0.872 4.336) 4.757 6.520 ( 2.304 1.303 1.067) 2.854 6.600 ( -0.492 2.587 -3.228) 4.166 6.741 ( -0.777 1.290 7.490) 7.640 6.788 ( -3.006 0.425 -1.594) 3.429 6.871 ( -2.490 -3.114 6.515) 7.638 6.885 ( -3.008 -3.213 2.990) 5.321 7.033 ( -1.529 -0.100 -0.151) 1.540 7.115 ( -1.953 4.586 0.215) 4.989 7.118 ( -2.510 -3.606 -0.383) 4.411 7.210 ( 1.159 -5.169 -0.582) 5.329 7.264 ( 2.365 1.080 2.584) 3.665 7.340 ( 0.260 0.798 -0.796) 1.157 7.423 ( 3.721 3.445 3.191) 5.992 7.430 ( 0.312 5.315 1.389) 5.503 7.545 ( 1.024 -2.050 2.943) 3.730 7.651 ( 0.282 5.406 1.689) 5.671 7.687 ( -2.872 1.536 -5.852) 6.698 7.774 ( -0.568 4.689 7.128) 8.551 7.902 ( -2.807 2.907 -2.615) 4.814 7.963 ( -1.966 3.272 -2.930) 4.812 8.091 ( -3.423 3.146 -0.382) 4.665 8.130 ( 0.586 -4.020 1.896) 4.483 8.270 ( 3.165 0.395 -1.200) 3.408 8.405 ( 3.332 -4.130 -3.786) 6.519 8.515 ( -3.841 2.550 2.784) 5.386 8.749 ( -4.335 0.307 -4.644) 6.360 8.852 ( 4.236 -0.793 -3.479) 5.539 8.926 ( 5.825 5.974 -1.482) 8.474 9.201 ( -14.116 2.443 -2.534) 14.548 9.616 ( 5.266 1.536 3.001) 6.253 9.663 ( -6.838 3.533 2.145) 7.990 9.880 ( -0.601 2.600 -3.876) 4.706 10.145 ( 2.076 1.450 -1.821) 3.119 10.261 ( 4.771 0.998 0.767) 4.934 10.565 ( -5.593 -10.643 1.613) 12.131 10.665 ( -2.832 -5.973 -4.472) 7.981 12.864 ( 0.861 2.121 0.694) 2.392 12.956 ( 1.554 2.874 -1.364) 3.540 13.086 ( -0.434 -2.196 -0.106) 2.241 13.127 ( 0.462 -2.008 1.753) 2.705 13.247 ( 1.689 1.318 -0.400) 2.179 13.270 ( 0.623 1.837 -0.178) 1.948 13.304 ( 2.367 -0.157 2.403) 3.377 13.345 ( 1.736 -0.190 -1.983) 2.642 14.041 ( -5.468 0.220 -0.696) 5.517 14.161 ( -5.449 2.201 -0.359) 5.888 14.242 ( 4.452 0.682 0.535) 4.535 14.330 ( 1.945 1.257 0.217) 2.326 14.438 ( -2.242 0.367 7.413) 7.754 14.564 ( -1.887 -3.117 -0.794) 3.729 14.628 ( -2.340 4.223 -7.235) 8.698 14.721 ( 0.967 2.775 -1.526) 3.311 14.773 ( 0.436 -0.638 1.254) 1.473 14.837 ( 1.594 1.242 -0.903) 2.213 14.988 ( -0.641 -0.975 -1.868) 2.203 15.031 ( 4.323 -0.051 3.782) 5.744 15.162 ( -2.747 0.675 -3.363) 4.394 15.316 ( -0.067 4.505 2.283) 5.051 15.336 ( 5.631 1.690 1.984) 6.205 15.434 ( 5.463 3.394 0.506) 6.452 15.725 ( -2.932 -1.136 -0.365) 3.166 15.849 ( 4.537 6.034 4.105) 8.593 16.241 ( -10.605 -3.110 2.723) 11.382 16.356 ( -10.116 -0.092 4.531) 11.084 16.590 ( -7.174 -3.245 -3.248) 8.518 16.816 ( 9.287 -5.528 1.963) 10.985 16.915 ( 3.944 1.568 4.447) 6.148 17.002 ( 4.965 1.527 -1.892) 5.529 18.207 ( -0.192 0.348 0.858) 0.946 18.303 ( 0.974 -1.057 -0.083) 1.440 18.416 ( 1.035 -2.193 -1.903) 3.083 18.438 ( 4.257 -2.322 0.930) 4.937 18.728 ( -0.322 2.008 2.082) 2.910 18.758 ( -0.664 3.296 -2.216) 4.027 18.918 ( -1.907 2.274 1.491) 3.322 19.016 ( -1.180 -0.624 1.118) 1.741 19.043 ( -0.853 0.016 -1.466) 1.696 19.076 ( 4.422 4.074 -0.750) 6.059 19.168 ( -3.030 -0.831 2.074) 3.765 19.407 ( 2.869 -1.930 -4.244) 5.474 19.571 ( -1.415 1.541 -0.387) 2.128 19.713 ( 3.947 -0.474 -3.478) 5.282 20.015 ( -4.231 -2.009 0.544) 4.715 20.049 ( -2.412 -1.331 -0.694) 2.841 20.522 ( -0.517 -2.624 1.021) 2.862 20.703 ( 7.398 2.176 1.531) 7.862 20.822 ( -2.631 -6.941 -2.435) 7.812 20.956 ( 4.105 -3.437 0.694) 5.399 21.287 ( -0.419 -1.064 -0.141) 1.152 21.383 ( 2.411 0.842 -0.902) 2.709 21.424 ( 2.988 0.453 0.972) 3.174 21.499 ( 5.172 -0.214 0.093) 5.177 21.862 ( -0.666 -0.702 0.652) 1.167 21.884 ( 0.015 0.285 1.363) 1.393 21.981 ( -2.073 0.186 0.670) 2.186 22.008 ( -1.410 1.111 -0.145) 1.801 22.069 ( -2.828 0.329 -1.877) 3.410 22.085 ( -2.722 0.924 -2.065) 3.540 22.352 ( -3.786 -0.318 1.337) 4.027 22.394 ( -2.608 -0.708 -1.436) 3.060 ======================= Grid point 102 (52/64) ======================= q-point: (-0.17 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( -6.289 3.200 14.265) 15.915 1.160 ( -6.250 8.896 16.971) 20.155 1.518 ( -8.470 -1.286 -4.199) 9.541 1.572 ( -4.894 2.174 -7.225) 8.993 1.745 ( -2.157 3.903 -3.443) 5.634 1.826 ( 1.705 2.636 6.885) 7.567 1.975 ( 0.880 0.999 1.417) 1.944 2.011 ( -1.553 5.106 0.910) 5.414 2.115 ( -0.545 -4.659 11.018) 11.975 2.154 ( 1.217 -6.296 0.541) 6.435 2.235 ( -4.658 -0.263 3.400) 5.773 2.381 ( 3.511 -5.532 -0.210) 6.555 2.484 ( 1.169 -4.286 -3.475) 5.641 2.499 ( -0.470 4.100 4.595) 6.176 2.579 ( -0.887 -2.765 1.339) 3.198 2.696 ( -0.768 2.092 3.283) 3.968 2.724 ( 3.564 -3.367 0.011) 4.903 2.756 ( 0.979 1.381 -0.280) 1.716 2.843 ( -0.877 3.678 -1.877) 4.221 2.904 ( 4.659 -0.662 0.836) 4.779 2.971 ( -0.279 -2.773 0.514) 2.834 3.071 ( 1.323 -1.063 -3.299) 3.710 3.086 ( 0.070 -3.568 -6.153) 7.113 3.109 ( 3.012 -1.883 1.779) 3.972 3.242 ( -1.176 5.077 0.464) 5.232 3.305 ( -3.594 -0.800 -2.592) 4.503 3.357 ( -1.586 -0.701 1.449) 2.260 3.398 ( -0.924 -0.265 -0.539) 1.102 3.446 ( 0.738 1.582 -6.617) 6.844 3.512 ( 2.885 -2.342 -3.247) 4.934 3.565 ( 2.051 -2.439 -2.720) 4.189 3.656 ( -0.966 -3.334 3.176) 4.705 3.682 ( -1.278 -1.213 3.492) 3.911 3.715 ( -1.641 -4.484 -1.314) 4.952 3.809 ( -3.896 1.992 -3.799) 5.795 3.845 ( 4.054 0.148 -6.151) 7.369 3.895 ( -6.510 -0.538 -8.834) 10.987 3.950 ( -0.355 3.267 -3.445) 4.761 3.986 ( 1.284 0.228 4.085) 4.288 4.107 ( 2.345 -2.857 6.904) 7.831 4.153 ( -1.508 3.328 2.231) 4.281 4.243 ( -1.155 -5.692 2.072) 6.166 4.352 ( -2.589 -2.356 4.567) 5.754 4.402 ( 3.371 5.124 -1.704) 6.366 4.455 ( -1.430 1.700 0.999) 2.435 4.547 ( 3.146 -4.727 -1.606) 5.901 4.624 ( 5.024 -3.455 -12.339) 13.763 4.715 ( -0.870 -1.503 -1.323) 2.183 4.856 ( 7.912 -1.886 -2.016) 8.380 4.871 ( 4.292 1.355 -1.152) 4.646 5.023 ( 0.716 2.876 1.967) 3.557 5.060 ( 1.761 -8.359 2.231) 8.829 5.089 ( -1.592 2.394 -2.899) 4.082 5.270 ( 0.100 -0.336 1.878) 1.910 5.342 ( 2.736 3.422 3.340) 5.509 5.398 ( 4.300 -1.828 0.936) 4.766 5.527 ( -2.597 -0.912 -4.988) 5.697 5.597 ( -2.725 -1.681 -0.877) 3.320 5.631 ( -2.326 -0.078 -1.027) 2.543 5.642 ( 5.639 4.643 -3.341) 8.033 5.880 ( 0.277 -6.259 3.176) 7.024 5.910 ( 1.917 -4.992 3.489) 6.385 6.033 ( 0.840 -0.564 0.257) 1.044 6.103 ( 2.311 -6.272 2.850) 7.267 6.188 ( -0.398 0.211 1.345) 1.418 6.231 ( 2.181 -2.581 -3.652) 4.976 6.292 ( -1.320 -1.911 0.520) 2.380 6.477 ( 1.167 -2.162 3.352) 4.156 6.556 ( -0.434 4.230 -1.487) 4.505 6.619 ( 2.987 -2.921 0.941) 4.282 6.683 ( -6.284 -0.442 -1.225) 6.418 6.749 ( -0.466 -3.412 3.346) 4.801 6.823 ( -2.942 -3.391 0.948) 4.588 6.850 ( -0.026 -0.756 0.124) 0.767 6.949 ( -4.098 3.140 -0.028) 5.163 7.038 ( -3.151 -2.872 -4.422) 6.142 7.165 ( 3.068 3.000 3.028) 5.252 7.215 ( -0.334 -4.226 -1.598) 4.531 7.317 ( -0.381 2.409 1.391) 2.808 7.330 ( 1.639 -0.094 3.725) 4.070 7.434 ( -0.269 4.539 5.770) 7.347 7.513 ( 3.168 3.170 6.356) 7.777 7.581 ( 0.510 1.987 -0.289) 2.071 7.628 ( -1.334 4.752 -2.861) 5.705 7.655 ( 0.506 3.820 1.236) 4.047 7.745 ( -1.922 3.675 1.578) 4.438 7.862 ( 0.652 2.313 -0.425) 2.440 7.958 ( 1.163 1.341 -4.340) 4.689 8.048 ( -0.029 3.990 -0.603) 4.036 8.155 ( 0.052 1.068 0.651) 1.252 8.300 ( -1.396 1.930 -1.085) 2.617 8.359 ( -3.658 4.483 -0.194) 5.789 8.533 ( 3.261 -9.901 0.877) 10.461 8.657 ( -3.825 -2.166 -4.151) 6.046 8.864 ( -5.211 -1.865 0.490) 5.556 8.939 ( -5.811 -2.634 -5.002) 8.108 9.076 ( 6.508 10.195 0.120) 12.095 9.462 ( -9.476 5.102 -1.903) 10.930 9.719 ( 3.644 -4.375 -1.748) 5.956 9.908 ( 3.075 5.306 0.815) 6.187 10.196 ( 2.159 1.842 -4.030) 4.929 10.326 ( -15.877 -11.589 -0.789) 19.672 10.347 ( 0.906 -0.927 2.498) 2.814 10.569 ( -4.566 -1.503 -4.498) 6.583 12.899 ( 2.411 1.338 -1.004) 2.935 12.971 ( -0.428 0.757 0.665) 1.095 13.109 ( 2.530 -0.407 0.364) 2.588 13.156 ( 2.268 0.537 -0.001) 2.330 13.252 ( -0.276 2.557 -0.518) 2.624 13.315 ( 1.027 2.385 0.342) 2.619 13.359 ( 2.737 -0.016 3.357) 4.331 13.372 ( 2.311 -0.305 -1.567) 2.809 13.950 ( -3.307 -0.372 -0.003) 3.328 14.040 ( -5.849 0.991 -2.552) 6.458 14.313 ( 2.021 -0.280 2.343) 3.107 14.366 ( 2.185 1.896 -0.346) 2.914 14.412 ( -1.506 -1.865 5.737) 6.218 14.521 ( -2.300 -0.485 -3.793) 4.462 14.573 ( -0.621 3.589 -3.356) 4.953 14.702 ( -1.923 0.757 -1.590) 2.608 14.802 ( 1.553 -0.885 1.612) 2.407 14.875 ( 1.297 -1.389 -1.733) 2.572 14.994 ( 1.620 -1.954 0.659) 2.622 15.086 ( 0.061 -1.922 -1.863) 2.677 15.176 ( 4.905 4.034 2.798) 6.940 15.329 ( 0.573 3.186 1.531) 3.581 15.413 ( 2.445 6.639 1.397) 7.212 15.562 ( 4.251 0.894 -3.712) 5.714 15.713 ( 2.457 -1.690 4.297) 5.231 15.912 ( -0.691 -2.364 3.817) 4.543 16.098 ( -7.498 2.221 3.423) 8.536 16.213 ( 2.327 4.559 8.442) 9.872 16.456 ( -3.757 -1.578 -2.984) 5.050 16.920 ( -4.429 1.347 0.721) 4.685 16.986 ( 6.584 -3.880 1.916) 7.879 17.082 ( 2.778 -0.250 -0.253) 2.800 18.218 ( 1.059 0.190 0.791) 1.335 18.298 ( -1.091 -0.648 -0.410) 1.334 18.452 ( 2.580 -3.572 -0.004) 4.406 18.516 ( 2.002 -4.094 1.501) 4.798 18.718 ( -0.477 2.482 1.256) 2.822 18.747 ( -0.329 2.388 -0.936) 2.586 18.885 ( -1.144 1.973 0.806) 2.419 18.965 ( -3.125 0.057 0.138) 3.129 19.046 ( 0.732 -0.569 1.648) 1.891 19.126 ( -1.441 -2.005 -0.449) 2.509 19.211 ( 9.449 4.799 -3.174) 11.063 19.444 ( 0.832 -1.766 -1.953) 2.761 19.566 ( 1.272 2.749 -0.944) 3.173 19.779 ( 2.232 -0.927 -3.264) 4.061 19.893 ( -7.703 -0.030 -0.959) 7.762 19.951 ( -6.585 1.182 -0.872) 6.746 20.566 ( 4.236 -6.595 2.058) 8.104 20.771 ( -1.593 -7.042 -3.728) 8.126 20.870 ( 6.737 -2.192 4.461) 8.372 21.013 ( 1.883 -3.674 -2.172) 4.664 21.305 ( 2.696 2.150 0.534) 3.490 21.417 ( 1.436 3.664 0.003) 3.935 21.527 ( 5.631 -0.068 0.449) 5.650 21.622 ( 6.185 -0.024 -1.540) 6.374 21.864 ( 0.294 -0.854 1.610) 1.845 21.872 ( -1.920 1.538 0.884) 2.614 21.924 ( -2.389 -1.428 -0.825) 2.903 21.950 ( -3.779 0.014 -2.018) 4.284 22.011 ( -2.222 1.239 -0.759) 2.654 22.028 ( -1.848 1.958 0.665) 2.773 22.249 ( -6.129 -1.129 0.315) 6.240 22.302 ( -6.115 -0.176 -1.247) 6.244 ======================= Grid point 103 (53/64) ======================= q-point: ( 0.00 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( -2.023 6.491 14.527) 16.040 1.291 ( 0.184 -0.421 -5.564) 5.583 1.425 ( 1.814 10.221 17.604) 20.436 1.668 ( -3.152 3.155 5.128) 6.796 1.788 ( 1.387 -1.314 0.426) 1.958 1.836 ( 0.084 0.405 10.957) 10.965 1.902 ( -3.044 -2.320 -3.140) 4.950 1.967 ( 1.837 -2.376 0.930) 3.144 2.082 ( 3.935 -6.032 -1.748) 7.411 2.096 ( -1.835 -1.038 3.121) 3.766 2.250 ( 2.717 4.288 0.959) 5.166 2.325 ( -4.547 -1.793 -5.274) 7.191 2.463 ( 0.351 3.008 1.808) 3.527 2.529 ( -1.066 4.453 -5.675) 7.292 2.608 ( -7.359 1.344 -2.557) 7.906 2.649 ( 5.369 1.695 -3.204) 6.478 2.773 ( -0.566 -1.933 2.910) 3.539 2.818 ( -1.951 1.538 1.064) 2.702 2.839 ( 0.457 -5.200 -5.218) 7.381 2.909 ( 1.230 2.143 -2.392) 3.439 2.983 ( -0.196 2.991 9.420) 9.885 3.068 ( 4.442 1.276 0.230) 4.627 3.110 ( 1.924 1.364 -4.477) 5.060 3.149 ( 4.757 -2.661 -2.182) 5.871 3.243 ( -1.646 -0.157 1.810) 2.452 3.261 ( -0.007 -1.239 0.314) 1.278 3.339 ( 3.167 2.671 -1.362) 4.361 3.353 ( -4.253 0.012 -3.563) 5.548 3.461 ( -5.480 -0.099 5.615) 7.847 3.562 ( 2.016 -0.318 -1.117) 2.327 3.590 ( -4.306 -1.045 -1.409) 4.650 3.610 ( 4.635 -4.243 -5.597) 8.415 3.632 ( 3.153 2.264 2.285) 4.504 3.660 ( 4.439 -0.035 -0.004) 4.440 3.726 ( -3.142 0.626 -0.346) 3.223 3.804 ( -2.182 2.802 -4.156) 5.466 3.877 ( -4.501 -2.308 -5.333) 7.350 3.906 ( -1.991 -2.280 -3.108) 4.338 4.024 ( -0.020 1.144 1.893) 2.212 4.046 ( 2.017 -9.065 9.079) 12.987 4.156 ( 1.800 -1.842 -2.893) 3.873 4.200 ( -1.970 3.390 -1.104) 4.073 4.304 ( 3.003 -5.540 0.910) 6.367 4.357 ( -1.046 -6.410 -2.580) 6.988 4.416 ( -1.404 -0.496 0.841) 1.710 4.550 ( 4.355 -5.068 -9.975) 12.006 4.630 ( -1.903 -0.877 -0.781) 2.236 4.648 ( -0.098 -0.082 -3.982) 3.984 4.834 ( -1.393 -4.839 3.094) 5.910 4.869 ( 3.055 -4.641 -1.092) 5.663 4.931 ( -3.942 -1.214 5.101) 6.560 5.045 ( 0.409 -3.418 -2.965) 4.543 5.251 ( 1.069 2.074 4.342) 4.929 5.298 ( 0.788 3.891 6.329) 7.471 5.328 ( -1.250 -2.508 -2.981) 4.092 5.407 ( 2.394 -1.794 -2.642) 3.991 5.472 ( 0.368 0.963 1.776) 2.053 5.582 ( -2.751 5.872 -4.862) 8.105 5.654 ( 0.119 -5.312 2.911) 6.058 5.707 ( 1.654 -0.370 -1.489) 2.256 5.838 ( 2.616 0.645 -0.658) 2.774 5.860 ( -0.860 0.048 -2.926) 3.050 5.997 ( -2.725 -0.826 8.731) 9.184 6.097 ( -2.659 -2.768 3.603) 5.264 6.118 ( 1.100 -4.070 0.782) 4.288 6.188 ( 0.453 -5.507 -2.561) 6.091 6.297 ( 2.060 -0.513 5.112) 5.535 6.395 ( -5.437 -4.602 -2.874) 7.681 6.510 ( 0.858 0.074 3.728) 3.826 6.575 ( -0.777 -1.855 1.330) 2.411 6.643 ( -0.805 2.203 -2.496) 3.425 6.706 ( 2.022 -2.714 -7.960) 8.650 6.805 ( 0.680 3.982 -0.982) 4.157 6.869 ( 0.202 -2.396 -7.682) 8.050 6.890 ( 0.558 -2.065 0.680) 2.244 6.933 ( -1.160 -1.347 -2.567) 3.123 7.229 ( -0.727 2.560 3.970) 4.779 7.272 ( 1.774 4.621 1.059) 5.062 7.340 ( -5.377 -0.295 3.803) 6.593 7.372 ( 3.289 1.260 -0.364) 3.541 7.584 ( 3.577 4.467 4.994) 7.595 7.598 ( -1.766 4.160 2.845) 5.340 7.633 ( 0.668 2.700 5.094) 5.804 7.714 ( 1.460 -0.368 -1.595) 2.193 7.755 ( 0.802 6.096 3.900) 7.281 7.822 ( 3.712 3.508 -2.467) 5.672 7.896 ( 0.207 0.517 -0.072) 0.561 7.939 ( -3.580 -0.670 -2.490) 4.412 8.135 ( 0.926 1.589 2.647) 3.223 8.187 ( 1.191 1.582 -2.498) 3.188 8.337 ( 1.845 1.637 2.340) 3.400 8.371 ( -2.724 2.650 -0.892) 3.904 8.486 ( 3.855 -0.645 -0.276) 3.918 8.541 ( -4.072 0.512 -5.377) 6.765 8.715 ( -2.958 -3.982 0.206) 4.965 8.739 ( 0.455 -8.516 -2.362) 8.849 9.375 ( -4.905 7.738 3.035) 9.652 9.446 ( 4.957 9.837 -4.380) 11.854 9.680 ( -10.879 -6.572 6.853) 14.440 9.768 ( 7.512 -5.866 -2.682) 9.901 10.179 ( 2.727 4.706 3.442) 6.436 10.252 ( 0.129 1.550 -3.878) 4.178 10.401 ( 1.302 -0.168 2.350) 2.692 10.455 ( -3.373 -1.988 -3.154) 5.028 12.942 ( -1.398 0.103 -0.320) 1.438 12.949 ( 1.497 -0.310 -1.212) 1.951 13.161 ( -0.286 1.662 2.687) 3.172 13.206 ( -0.668 -0.019 -1.903) 2.017 13.315 ( 0.896 2.325 1.098) 2.723 13.336 ( -0.981 1.637 -1.000) 2.155 13.392 ( -0.036 -0.072 2.116) 2.118 13.414 ( 1.738 -0.777 -0.396) 1.944 13.954 ( 0.502 2.985 -0.258) 3.038 13.971 ( -1.524 1.617 -1.987) 2.981 14.284 ( 1.406 -3.704 3.061) 5.006 14.306 ( -1.404 -4.050 1.274) 4.472 14.460 ( 0.875 2.530 1.241) 2.951 14.511 ( -0.607 0.394 -3.451) 3.526 14.645 ( 1.703 1.953 -0.886) 2.738 14.655 ( -1.400 1.380 -1.665) 2.576 14.844 ( -0.151 2.359 0.626) 2.445 14.868 ( -0.045 0.862 -1.544) 1.769 14.962 ( 0.154 -3.371 1.084) 3.544 15.002 ( -1.010 -4.557 -2.597) 5.341 15.339 ( 1.008 2.455 2.342) 3.539 15.361 ( 0.088 1.557 -0.088) 1.562 15.556 ( -0.480 4.276 1.454) 4.542 15.600 ( 0.039 2.499 -2.937) 3.856 15.808 ( 3.473 -0.917 2.867) 4.596 15.833 ( -0.240 -0.212 0.847) 0.906 15.997 ( 2.533 -1.752 6.243) 6.962 16.133 ( -4.675 -6.191 -7.301) 10.653 16.750 ( 6.680 6.966 4.961) 10.852 16.847 ( -2.935 5.823 -5.050) 8.248 16.985 ( -1.081 -4.714 4.677) 6.728 17.057 ( 1.109 -4.118 -2.858) 5.134 18.246 ( 0.952 0.231 1.431) 1.735 18.267 ( -0.757 -0.302 -0.435) 0.923 18.424 ( -0.106 -2.750 1.092) 2.961 18.446 ( -0.438 -2.882 -1.179) 3.144 18.752 ( -0.695 2.061 2.356) 3.206 18.779 ( -0.493 1.290 -0.349) 1.424 18.905 ( -0.369 0.485 1.130) 1.284 18.920 ( 0.264 -0.133 -0.815) 0.867 19.034 ( -0.793 -0.815 2.417) 2.671 19.062 ( 0.359 -1.987 -0.221) 2.031 19.399 ( -0.811 0.886 0.497) 1.300 19.410 ( 0.900 0.439 -0.395) 1.077 19.691 ( -1.305 3.875 2.891) 5.008 19.741 ( -0.370 1.326 -0.996) 1.700 19.856 ( -0.771 2.197 -0.748) 2.445 19.897 ( 2.046 0.878 -3.804) 4.408 20.515 ( 2.570 -5.931 2.350) 6.878 20.550 ( -3.090 -6.920 -0.830) 7.624 20.916 ( 1.015 -1.398 0.017) 1.728 20.950 ( -0.377 -3.580 -3.334) 4.907 21.468 ( 4.005 2.416 1.616) 4.949 21.473 ( -1.270 2.028 1.048) 2.612 21.601 ( -0.675 0.233 -1.178) 1.378 21.618 ( -4.670 -0.236 -2.642) 5.371 21.849 ( 0.364 -0.138 1.198) 1.260 21.863 ( -0.571 -1.222 -0.215) 1.366 21.889 ( 1.187 0.428 0.614) 1.403 21.905 ( -0.344 -0.485 -1.103) 1.253 22.043 ( -0.531 1.891 -0.148) 1.970 22.052 ( 2.704 1.454 -1.016) 3.234 22.176 ( 0.558 -0.062 1.175) 1.303 22.191 ( -1.359 -0.701 -0.408) 1.582 ======================= Grid point 104 (54/64) ======================= q-point: ( 0.17 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( -2.354 -0.685 7.403) 7.799 1.284 ( -2.797 -10.698 8.141) 13.731 1.507 ( 4.681 10.504 -2.335) 11.735 1.630 ( 0.293 8.625 3.679) 9.382 1.767 ( -0.867 0.431 7.038) 7.104 1.792 ( -5.759 0.841 5.191) 7.798 1.937 ( 4.640 2.124 1.020) 5.204 2.021 ( 0.888 -5.849 -4.210) 7.261 2.091 ( -3.259 -3.980 2.921) 5.915 2.153 ( 1.738 -0.952 0.856) 2.158 2.254 ( 0.921 -4.092 -0.081) 4.195 2.315 ( 2.282 -0.347 2.350) 3.294 2.412 ( -2.943 1.742 -3.976) 5.244 2.461 ( -3.041 2.640 -1.582) 4.326 2.571 ( 2.342 1.550 6.766) 7.326 2.693 ( -2.580 -4.209 -0.896) 5.017 2.742 ( -1.591 1.602 -2.462) 3.341 2.778 ( -1.364 0.386 2.782) 3.122 2.867 ( 0.428 2.361 -1.391) 2.773 2.935 ( 0.529 3.047 3.930) 5.001 2.969 ( 3.064 0.858 -3.333) 4.608 3.079 ( -1.413 0.362 -3.697) 3.974 3.125 ( 0.679 -0.928 -6.339) 6.442 3.170 ( -1.909 3.555 -2.434) 4.712 3.238 ( -2.849 -0.482 -1.571) 3.289 3.314 ( 1.389 4.154 2.670) 5.129 3.322 ( 2.622 -7.222 0.284) 7.689 3.380 ( -0.017 -0.895 3.003) 3.134 3.473 ( 2.834 0.101 -1.744) 3.329 3.513 ( -2.280 0.112 0.552) 2.349 3.564 ( 1.360 1.766 -3.884) 4.479 3.631 ( -0.452 -2.838 -2.986) 4.144 3.645 ( -1.036 0.067 3.004) 3.178 3.704 ( 1.555 3.978 2.903) 5.164 3.760 ( 2.245 -2.680 -4.486) 5.688 3.773 ( 1.771 -0.207 -9.011) 9.185 3.811 ( 1.759 2.537 2.546) 4.002 3.924 ( 2.354 -0.039 6.122) 6.559 4.023 ( -0.252 -3.038 0.126) 3.052 4.084 ( -0.804 -4.871 7.063) 8.618 4.154 ( 0.360 -5.751 -1.854) 6.053 4.208 ( 3.491 0.215 -8.357) 9.060 4.339 ( 0.435 -3.203 0.229) 3.240 4.359 ( -1.455 -0.557 1.805) 2.385 4.443 ( 4.363 -1.039 0.872) 4.570 4.545 ( -2.897 -4.179 -12.056) 13.084 4.581 ( -2.974 2.217 -1.873) 4.156 4.657 ( 1.022 -3.337 2.167) 4.108 4.772 ( -3.596 -1.743 -0.971) 4.113 4.834 ( -5.482 0.525 4.533) 7.133 4.906 ( -0.184 -7.143 -3.489) 7.952 5.006 ( -4.963 -6.449 4.061) 9.095 5.266 ( -1.874 6.605 -1.520) 7.032 5.293 ( 1.836 0.370 1.407) 2.342 5.354 ( 2.807 2.166 2.740) 4.481 5.445 ( 1.672 -0.803 -7.851) 8.067 5.489 ( -0.628 3.560 5.933) 6.947 5.516 ( -1.186 -1.424 -0.163) 1.860 5.640 ( -0.753 -2.782 -1.654) 3.323 5.736 ( -4.537 5.866 -2.897) 7.961 5.782 ( 1.009 -7.922 -2.754) 8.448 5.886 ( 0.849 -1.478 -0.736) 1.856 5.916 ( -6.729 -1.520 4.272) 8.114 6.020 ( -4.311 -5.555 4.981) 8.617 6.132 ( -1.722 -4.956 -6.154) 8.087 6.160 ( -2.260 -2.105 6.744) 7.418 6.291 ( 1.615 -2.136 1.780) 3.216 6.415 ( 4.153 -4.232 9.010) 10.786 6.514 ( -3.990 2.174 -1.750) 4.869 6.594 ( 4.004 5.337 2.857) 7.258 6.611 ( -0.155 -0.595 -3.268) 3.326 6.762 ( 2.291 -3.275 -0.530) 4.031 6.803 ( -0.581 2.923 2.569) 3.935 6.870 ( 0.615 -1.790 -3.772) 4.220 6.915 ( 4.073 -4.351 -5.375) 8.026 6.973 ( 2.851 -4.357 -2.659) 5.847 7.191 ( -3.347 2.403 6.271) 7.504 7.250 ( 0.831 2.213 -2.965) 3.792 7.357 ( 2.956 1.439 1.973) 3.834 7.390 ( -1.738 1.483 0.958) 2.478 7.554 ( -3.563 2.856 3.649) 5.846 7.570 ( -2.862 2.369 -1.348) 3.952 7.623 ( -1.921 2.286 2.349) 3.799 7.705 ( -2.053 -1.184 -2.106) 3.170 7.763 ( -1.700 7.009 -1.230) 7.316 7.867 ( 3.619 3.363 -2.478) 5.528 7.914 ( 0.371 3.132 3.071) 4.402 7.992 ( 4.915 0.584 -2.574) 5.579 8.089 ( -1.676 4.632 3.945) 6.310 8.205 ( -0.859 1.268 -6.067) 6.257 8.311 ( -2.809 -0.303 2.504) 3.775 8.431 ( 1.479 -7.191 -3.422) 8.100 8.485 ( 1.819 5.332 -3.571) 6.670 8.593 ( 8.144 4.181 1.714) 9.313 8.717 ( 1.980 -5.461 1.605) 6.026 8.826 ( 7.131 -5.515 1.245) 9.100 9.248 ( -4.821 8.445 1.342) 9.816 9.544 ( -1.897 -6.220 4.544) 7.933 9.629 ( 10.437 10.784 -1.895) 15.127 9.926 ( 4.520 -2.949 1.395) 5.574 10.216 ( -0.137 4.582 0.981) 4.688 10.256 ( 3.439 -1.417 -4.865) 6.124 10.378 ( -3.463 -1.443 -1.910) 4.210 10.438 ( 1.371 -2.893 4.536) 5.552 12.914 ( -0.980 1.373 -0.320) 1.717 12.976 ( 1.417 -1.825 -1.193) 2.600 13.116 ( -4.386 2.062 2.072) 5.271 13.164 ( -2.580 -0.547 0.084) 2.639 13.294 ( -1.410 2.336 -0.060) 2.729 13.332 ( -1.289 0.634 1.187) 1.863 13.362 ( -2.461 0.753 -0.518) 2.626 13.405 ( -2.289 -0.762 -1.704) 2.954 13.976 ( 2.704 2.707 -0.310) 3.839 14.025 ( 5.205 0.968 0.453) 5.314 14.307 ( 0.833 -1.573 1.061) 2.072 14.344 ( 2.623 -2.431 2.640) 4.446 14.455 ( 0.274 1.838 1.033) 2.127 14.499 ( 0.403 -0.822 -2.700) 2.851 14.630 ( -0.623 2.946 -2.400) 3.851 14.703 ( 2.791 0.373 -0.269) 2.829 14.816 ( -2.457 2.510 0.001) 3.513 14.863 ( -0.809 1.415 -0.558) 1.723 14.963 ( 0.291 -2.202 0.494) 2.276 14.987 ( 0.060 -4.963 -0.358) 4.977 15.292 ( -3.920 3.119 -0.866) 5.084 15.379 ( 0.267 -0.122 0.212) 0.362 15.512 ( -3.355 5.200 1.206) 6.305 15.633 ( -4.609 7.190 -1.877) 8.744 15.696 ( 1.608 -3.936 0.079) 4.252 15.908 ( 0.833 -4.897 -3.681) 6.183 16.125 ( 7.881 -1.280 2.433) 8.346 16.191 ( 9.217 -3.053 2.201) 9.956 16.599 ( -9.712 6.496 -3.987) 12.346 16.879 ( -7.923 -6.541 2.013) 10.469 16.981 ( 5.003 2.194 -1.279) 5.610 17.068 ( -1.438 -1.686 -0.550) 2.283 18.248 ( -0.804 0.420 -0.386) 0.986 18.266 ( 0.537 -0.607 1.545) 1.744 18.385 ( -2.938 -1.462 1.114) 3.466 18.440 ( -0.829 -3.711 -0.951) 3.920 18.745 ( -0.241 2.139 3.070) 3.749 18.769 ( -0.013 1.116 0.827) 1.389 18.911 ( 1.664 1.904 1.575) 2.979 18.976 ( 3.973 -1.037 -1.310) 4.310 19.018 ( -0.795 0.565 1.280) 1.609 19.081 ( 1.298 -2.638 0.818) 3.052 19.318 ( -4.977 4.275 -0.894) 6.622 19.409 ( -2.099 -0.704 -0.206) 2.224 19.626 ( -2.143 3.968 0.101) 4.511 19.710 ( -3.129 -0.982 2.226) 3.964 19.918 ( 4.652 2.800 -2.289) 5.892 19.973 ( 4.591 0.175 -1.410) 4.806 20.500 ( -1.091 -3.750 -1.175) 4.078 20.566 ( 2.173 -6.818 3.203) 7.841 20.890 ( -4.836 -1.848 -2.176) 5.616 20.911 ( -1.588 -3.480 -1.004) 3.954 21.379 ( -5.290 3.334 -1.115) 6.352 21.459 ( -4.143 0.042 -0.368) 4.160 21.525 ( -4.670 0.402 0.973) 4.787 21.565 ( -3.692 -1.253 2.106) 4.431 21.867 ( 0.252 0.143 0.698) 0.756 21.876 ( 2.931 0.069 1.530) 3.307 21.919 ( 1.107 0.126 -0.729) 1.331 21.926 ( 2.933 -0.258 -0.361) 2.967 22.045 ( 1.529 1.493 -1.447) 2.580 22.076 ( 0.604 0.425 -1.727) 1.879 22.243 ( 6.225 0.446 0.295) 6.248 22.285 ( 6.145 -1.020 0.033) 6.229 ======================= Grid point 105 (55/64) ======================= q-point: ( 0.33 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( 5.258 -8.188 1.598) 9.861 1.273 ( 1.461 -13.721 -1.340) 13.863 1.565 ( 2.296 -0.743 0.053) 2.414 1.656 ( 3.527 4.124 -3.107) 6.253 1.717 ( -3.196 -1.858 1.388) 3.948 1.803 ( -2.817 -0.229 3.170) 4.247 1.934 ( -2.916 0.220 -4.221) 5.135 1.961 ( -0.169 2.893 5.057) 5.829 2.057 ( 0.151 0.047 7.105) 7.107 2.205 ( -4.581 -0.641 1.958) 5.023 2.243 ( 5.009 -2.630 3.484) 6.644 2.307 ( -2.053 1.666 2.774) 3.832 2.356 ( -2.928 -3.545 -2.910) 5.442 2.505 ( 2.713 -2.007 4.470) 5.601 2.567 ( -5.057 1.039 -0.660) 5.204 2.633 ( 0.433 1.020 4.969) 5.091 2.724 ( -1.483 -9.784 -3.053) 10.356 2.767 ( 0.554 -2.040 5.624) 6.008 2.862 ( 1.527 6.635 -4.276) 8.040 2.969 ( -0.499 4.194 2.021) 4.682 3.011 ( -0.279 6.357 -0.317) 6.371 3.049 ( 0.383 3.260 -3.302) 4.656 3.122 ( -3.554 -0.094 1.843) 4.004 3.160 ( 4.076 -1.231 -5.286) 6.788 3.213 ( 1.801 3.609 0.176) 4.037 3.263 ( -3.761 1.861 -1.000) 4.314 3.324 ( -4.735 -6.180 -3.518) 8.544 3.363 ( -1.293 0.008 0.059) 1.295 3.474 ( 2.678 -2.265 -6.584) 7.460 3.514 ( 1.401 -0.335 2.957) 3.290 3.593 ( 2.590 -4.083 -3.111) 5.750 3.646 ( -4.443 -6.153 2.341) 7.942 3.668 ( 3.414 1.020 1.812) 3.997 3.755 ( 3.257 3.535 3.787) 6.119 3.801 ( 0.810 1.460 -3.204) 3.613 3.831 ( 6.878 2.073 -8.808) 11.366 3.872 ( 0.638 -0.495 4.347) 4.422 3.995 ( 1.254 1.086 1.993) 2.593 4.024 ( 4.009 -0.732 2.844) 4.970 4.094 ( -0.073 0.590 0.835) 1.025 4.187 ( 3.880 -0.754 -3.872) 5.533 4.257 ( 0.019 -0.846 -1.565) 1.779 4.330 ( 2.626 -3.301 -4.330) 6.045 4.361 ( -0.486 -3.219 6.308) 7.098 4.425 ( -4.789 -3.627 -4.232) 7.348 4.489 ( -2.457 1.159 -1.363) 3.040 4.544 ( 2.092 1.655 0.202) 2.676 4.689 ( -0.321 -1.726 2.442) 3.008 4.709 ( -4.972 1.272 4.090) 6.562 4.746 ( -0.322 0.324 -4.833) 4.855 4.862 ( -3.946 -4.460 -0.912) 6.025 4.907 ( -1.936 -5.175 0.999) 5.615 5.228 ( -2.072 6.524 -1.056) 6.926 5.318 ( 1.249 3.661 -3.485) 5.206 5.354 ( -4.929 1.005 -2.881) 5.797 5.431 ( -2.884 1.891 0.246) 3.457 5.495 ( 2.152 -2.772 -0.367) 3.528 5.535 ( 0.257 -5.013 3.354) 6.037 5.605 ( 0.474 -0.456 -3.036) 3.106 5.693 ( 0.320 0.803 -6.452) 6.510 5.723 ( -5.871 -6.042 -1.615) 8.578 5.780 ( -6.101 0.493 1.007) 6.203 5.916 ( 1.760 -9.255 -1.507) 9.540 5.964 ( -2.469 -7.859 2.447) 8.593 6.098 ( 0.924 -1.283 3.128) 3.505 6.155 ( 1.161 2.238 5.299) 5.869 6.339 ( 1.303 0.765 -2.518) 2.937 6.455 ( -0.180 0.261 3.330) 3.345 6.511 ( 2.570 -0.884 11.858) 12.166 6.588 ( -0.869 -0.491 -3.023) 3.183 6.704 ( 3.893 1.652 1.673) 4.548 6.768 ( 1.900 -1.828 -2.064) 3.348 6.804 ( -1.364 -4.624 9.486) 10.641 6.899 ( 1.016 -0.342 -2.016) 2.283 6.972 ( 1.139 -5.017 0.068) 5.145 7.047 ( 7.886 -3.799 -4.865) 10.014 7.183 ( -0.594 7.882 2.415) 8.265 7.266 ( -1.788 2.056 -1.595) 3.157 7.328 ( -1.705 0.944 1.947) 2.755 7.367 ( -1.184 1.728 -3.959) 4.479 7.471 ( -3.916 0.639 -0.152) 3.970 7.544 ( -5.869 1.765 -2.496) 6.617 7.569 ( 1.878 -1.434 0.941) 2.543 7.669 ( -1.472 -0.506 3.128) 3.494 7.748 ( 1.660 7.055 -2.588) 7.696 7.877 ( -3.408 4.648 3.340) 6.661 7.942 ( 2.769 -0.160 -3.314) 4.321 8.025 ( -0.873 -1.784 -0.854) 2.162 8.120 ( 3.085 6.231 3.334) 7.711 8.175 ( 0.257 2.939 -5.328) 6.090 8.273 ( -1.476 0.052 1.260) 1.941 8.352 ( -5.308 -4.031 -3.936) 7.741 8.584 ( 4.729 1.263 -0.725) 4.948 8.725 ( -0.521 -0.977 -0.086) 1.110 8.783 ( 8.195 3.785 1.159) 9.101 8.950 ( 2.371 -2.022 0.993) 3.271 9.255 ( 6.732 8.226 1.389) 10.720 9.565 ( 1.495 -6.427 0.463) 6.614 9.826 ( 8.302 7.945 -1.343) 11.570 9.915 ( -3.157 3.998 0.350) 5.106 10.196 ( -1.552 5.293 1.101) 5.625 10.277 ( -3.654 -1.709 -2.395) 4.691 10.405 ( 6.938 -7.409 -1.239) 10.226 10.463 ( 0.421 -5.843 4.965) 7.679 12.912 ( 0.938 2.324 -0.252) 2.519 12.999 ( -0.623 0.705 -0.924) 1.319 13.035 ( -1.513 -0.795 1.095) 2.030 13.115 ( -2.279 -2.206 0.192) 3.178 13.271 ( -1.217 1.275 0.248) 1.780 13.279 ( -2.850 2.068 0.678) 3.585 13.320 ( -1.754 -0.240 -0.295) 1.795 13.345 ( -2.778 -0.700 -1.433) 3.203 14.054 ( 4.733 2.279 0.443) 5.271 14.132 ( 4.374 -1.427 0.750) 4.661 14.304 ( -1.247 2.377 -0.104) 2.686 14.343 ( -2.260 0.863 1.462) 2.826 14.519 ( 4.405 0.671 0.980) 4.563 14.556 ( 5.388 -1.871 -2.799) 6.353 14.607 ( -1.231 2.827 0.435) 3.114 14.707 ( -3.479 -1.568 2.589) 4.612 14.794 ( 1.779 5.052 -0.441) 5.375 14.846 ( -0.400 1.784 -0.424) 1.876 14.973 ( 0.752 -1.335 -1.929) 2.463 15.004 ( 0.721 -4.720 1.827) 5.113 15.203 ( -3.944 4.256 -2.650) 6.379 15.353 ( -3.855 -1.719 -1.049) 4.349 15.437 ( -1.998 4.752 -0.307) 5.164 15.515 ( -5.536 2.682 0.147) 6.153 15.766 ( 4.225 2.621 -3.057) 5.837 15.953 ( 2.070 -1.433 -0.974) 2.699 16.247 ( 2.685 -0.238 -0.030) 2.696 16.360 ( 5.982 -3.082 1.533) 6.902 16.510 ( 2.787 1.186 0.440) 3.061 16.711 ( -7.681 -7.205 -0.154) 10.533 16.977 ( -4.839 1.383 2.731) 5.726 17.008 ( -3.369 0.097 -2.160) 4.003 18.237 ( -0.280 0.432 0.645) 0.826 18.267 ( -0.763 -0.989 1.849) 2.232 18.340 ( -1.022 0.092 0.228) 1.051 18.412 ( -1.392 -2.945 -2.507) 4.110 18.753 ( 0.613 2.695 3.551) 4.500 18.790 ( 1.578 0.922 0.891) 2.033 18.967 ( 3.402 3.126 0.938) 4.714 19.007 ( -0.535 1.720 1.142) 2.133 19.033 ( 1.414 -0.971 -1.599) 2.345 19.108 ( 0.425 -1.344 0.544) 1.511 19.243 ( -1.417 1.742 -1.517) 2.710 19.341 ( -3.968 -1.242 -1.015) 4.280 19.614 ( 0.766 2.262 -0.739) 2.500 19.661 ( -2.053 -0.396 1.588) 2.625 19.976 ( 1.570 -0.053 0.222) 1.587 20.038 ( 1.526 -1.665 -1.659) 2.802 20.521 ( 3.322 -0.033 -1.243) 3.547 20.627 ( 3.598 -4.067 4.061) 6.781 20.763 ( -6.429 -0.758 -2.062) 6.795 20.868 ( -2.834 -5.665 -0.540) 6.357 21.299 ( -2.594 0.855 -1.019) 2.915 21.361 ( -5.091 -1.687 -0.003) 5.364 21.447 ( -2.301 1.122 0.256) 2.572 21.486 ( -3.358 -0.612 0.434) 3.441 21.866 ( -0.008 0.120 -0.225) 0.255 21.892 ( -0.897 -1.052 -0.016) 1.383 21.977 ( 3.295 1.374 2.184) 4.185 21.999 ( 3.146 0.249 2.139) 3.812 22.081 ( 1.992 0.876 -2.302) 3.168 22.102 ( 1.729 0.133 -2.207) 2.807 22.352 ( 3.979 0.298 0.662) 4.045 22.381 ( 3.146 -0.762 -0.568) 3.287 ======================= Grid point 106 (56/64) ======================= q-point: (-0.50 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.152 ( 0.269 -11.934 0.992) 11.978 1.296 ( 0.620 -16.675 -11.812) 20.444 1.610 ( -0.472 2.629 2.049) 3.366 1.642 ( -3.429 5.155 1.278) 6.322 1.684 ( 1.777 -5.721 2.946) 6.676 1.801 ( -3.303 -8.317 -4.896) 10.201 1.882 ( 7.091 1.032 3.340) 7.906 1.923 ( -2.258 -1.395 -1.090) 2.869 2.125 ( -2.910 -0.146 3.793) 4.783 2.209 ( -0.217 2.264 5.797) 6.228 2.228 ( 7.329 3.713 -0.849) 8.260 2.336 ( 2.511 -4.223 3.712) 6.158 2.354 ( 0.002 3.208 1.004) 3.361 2.475 ( -1.713 -1.840 -4.215) 4.907 2.559 ( 1.865 -4.134 4.951) 6.714 2.610 ( -3.084 -2.395 -1.340) 4.128 2.673 ( -0.418 -1.204 9.461) 9.546 2.808 ( -0.984 -2.297 7.338) 7.752 2.895 ( -0.600 3.307 -1.631) 3.735 2.910 ( -4.417 7.241 -8.363) 11.911 2.973 ( 0.116 3.536 8.100) 8.839 3.057 ( -0.334 -0.356 1.484) 1.562 3.127 ( 1.434 -0.327 -1.457) 2.070 3.161 ( -3.594 -0.789 -0.300) 3.692 3.173 ( -1.135 5.206 -5.534) 7.682 3.258 ( 0.709 0.955 -8.961) 9.040 3.279 ( 2.457 -3.445 4.525) 6.195 3.400 ( 3.224 1.718 0.003) 3.653 3.478 ( -4.013 1.413 -2.434) 4.902 3.540 ( 0.628 -5.980 -0.482) 6.032 3.555 ( -1.005 -0.677 -1.168) 1.683 3.662 ( 2.814 -4.168 0.091) 5.030 3.709 ( -3.603 -3.080 5.198) 7.035 3.749 ( 1.755 -1.482 -1.100) 2.547 3.846 ( 0.863 0.947 -0.083) 1.284 3.860 ( -1.082 -2.281 4.420) 5.090 3.896 ( 0.724 1.990 -4.564) 5.032 3.987 ( -2.891 -0.392 -5.059) 5.839 4.063 ( 1.192 2.207 4.002) 4.723 4.147 ( 4.011 3.487 -0.431) 5.333 4.202 ( -2.787 0.850 -6.204) 6.854 4.240 ( 0.005 2.040 -8.390) 8.634 4.346 ( -3.118 0.873 5.241) 6.161 4.388 ( 4.588 -3.198 3.087) 6.388 4.425 ( 1.121 0.711 1.891) 2.310 4.472 ( 1.573 -2.061 -0.997) 2.778 4.601 ( 2.350 -0.485 1.431) 2.794 4.636 ( -2.026 -2.578 3.229) 4.602 4.645 ( -1.011 -1.261 -0.347) 1.653 4.747 ( 1.091 -6.655 -2.310) 7.129 4.836 ( 0.688 3.958 -0.678) 4.075 4.952 ( 6.333 1.182 -9.411) 11.405 5.185 ( -2.335 2.394 -0.027) 3.344 5.214 ( -4.643 0.901 -3.276) 5.754 5.341 ( 0.581 3.563 1.222) 3.812 5.375 ( -3.047 0.881 -1.806) 3.650 5.505 ( 0.335 -3.722 1.266) 3.946 5.535 ( -0.653 -1.864 2.782) 3.412 5.589 ( -3.405 -5.520 -1.868) 6.750 5.657 ( -0.566 2.517 1.053) 2.787 5.687 ( 1.321 -5.562 -2.551) 6.260 5.744 ( 2.738 -0.036 -5.157) 5.839 5.899 ( -3.442 -9.388 0.421) 10.008 5.964 ( 3.439 -11.137 -3.577) 12.192 6.125 ( 0.124 4.563 9.052) 10.138 6.252 ( 5.719 3.746 0.514) 6.856 6.341 ( 0.590 -0.869 -1.036) 1.476 6.436 ( -4.249 -0.521 -2.502) 4.958 6.536 ( 0.686 1.094 7.699) 7.806 6.600 ( 2.207 -1.033 1.040) 2.650 6.757 ( 1.336 -0.456 6.598) 6.747 6.785 ( -1.393 -3.997 6.462) 7.725 6.818 ( -0.716 -6.160 -2.590) 6.720 6.892 ( 2.554 -4.797 -3.610) 6.524 7.006 ( -2.731 6.096 3.881) 7.725 7.119 ( -1.831 1.852 1.301) 2.911 7.201 ( -3.833 -0.944 5.415) 6.701 7.210 ( 5.415 -2.917 -2.000) 6.468 7.291 ( -1.775 5.303 -2.911) 6.304 7.349 ( 0.621 3.761 -6.564) 7.590 7.435 ( -2.490 0.095 -1.590) 2.956 7.451 ( 1.586 0.378 -1.649) 2.319 7.575 ( -2.088 1.553 5.796) 6.354 7.671 ( 1.306 -1.069 -0.852) 1.890 7.802 ( -0.183 4.737 2.586) 5.400 7.807 ( -0.031 4.163 0.215) 4.168 7.979 ( -2.054 -1.549 -2.591) 3.652 7.994 ( 1.966 -1.602 -2.319) 3.436 8.138 ( -1.623 2.177 3.651) 4.550 8.199 ( -5.532 -0.674 -3.173) 6.413 8.237 ( 3.619 3.641 1.785) 5.435 8.295 ( 1.231 1.439 -2.442) 3.090 8.643 ( 0.320 0.765 1.677) 1.871 8.711 ( 1.016 -3.088 -4.489) 5.543 8.883 ( -0.766 4.833 3.459) 5.993 8.961 ( 2.136 3.139 -4.460) 5.857 9.431 ( 4.954 3.209 3.222) 6.725 9.519 ( -3.318 0.050 -5.115) 6.098 9.888 ( -0.835 4.222 1.425) 4.534 9.918 ( 1.420 3.225 -1.855) 3.982 10.149 ( -3.404 2.622 4.756) 6.409 10.245 ( 2.502 3.582 -5.237) 6.820 10.438 ( -3.092 -9.373 6.408) 11.768 10.526 ( 3.754 -8.254 -2.799) 9.490 12.923 ( -1.474 3.106 2.330) 4.153 12.974 ( 1.869 2.948 -2.982) 4.591 13.049 ( -1.017 -3.519 1.948) 4.149 13.086 ( 0.702 -2.702 -1.816) 3.330 13.243 ( 0.107 1.206 1.140) 1.663 13.262 ( 0.191 1.660 -0.775) 1.842 13.294 ( -1.003 -0.594 1.021) 1.550 13.314 ( 0.247 -0.592 -0.977) 1.168 14.144 ( 1.290 0.389 0.762) 1.547 14.158 ( 0.059 -0.499 -0.537) 0.735 14.286 ( -2.022 2.068 1.324) 3.181 14.308 ( 1.424 1.435 -0.808) 2.177 14.523 ( -3.648 2.687 3.762) 5.889 14.583 ( -2.790 -0.745 -1.723) 3.363 14.670 ( 3.783 0.958 0.548) 3.941 14.689 ( 4.077 -0.060 -0.081) 4.078 14.824 ( -0.705 3.571 1.483) 3.930 14.859 ( 2.419 3.653 -2.255) 4.927 14.978 ( -1.119 -1.116 -0.877) 1.807 14.987 ( -1.103 -2.892 -1.178) 3.312 15.188 ( 3.239 0.625 1.621) 3.676 15.251 ( -4.550 -0.625 -3.926) 6.043 15.426 ( -2.832 2.907 1.093) 4.203 15.446 ( 2.147 2.311 -0.776) 3.248 15.861 ( 1.574 7.265 0.972) 7.497 15.896 ( -2.708 5.729 -2.799) 6.927 16.332 ( -4.609 -6.347 2.035) 8.104 16.355 ( 3.593 -6.218 -0.452) 7.195 16.592 ( 2.178 -2.365 3.619) 4.841 16.631 ( -2.403 -3.885 -0.397) 4.586 16.901 ( -0.822 2.774 3.557) 4.585 16.956 ( 0.268 0.354 -2.180) 2.225 18.229 ( -0.917 0.480 2.391) 2.605 18.261 ( 0.555 -0.607 0.191) 0.844 18.348 ( 1.519 -0.630 -0.475) 1.712 18.388 ( -0.470 -1.962 -3.543) 4.077 18.771 ( 0.448 2.916 3.515) 4.589 18.815 ( 0.518 1.222 -0.520) 1.426 18.996 ( -0.804 1.840 1.294) 2.389 19.021 ( -0.141 0.513 -0.817) 0.975 19.059 ( 3.346 2.639 0.656) 4.311 19.082 ( -2.004 1.466 -1.416) 2.858 19.226 ( -2.837 -0.572 3.080) 4.226 19.301 ( 1.977 -3.448 -4.397) 5.927 19.627 ( -1.261 0.947 0.655) 1.708 19.647 ( 2.205 0.359 -1.468) 2.673 19.995 ( 0.364 -1.786 2.157) 2.824 20.036 ( -1.087 -2.707 -1.963) 3.516 20.597 ( -1.962 1.716 1.439) 2.978 20.623 ( 1.564 2.912 -1.279) 3.544 20.748 ( 2.646 -5.538 2.695) 6.704 20.799 ( -1.812 -6.425 -2.648) 7.182 21.283 ( -1.887 -1.417 -0.299) 2.379 21.289 ( 1.833 -1.583 -0.867) 2.572 21.438 ( 0.770 0.689 0.386) 1.103 21.443 ( -0.736 0.510 -0.172) 0.912 21.869 ( 0.158 -0.429 0.260) 0.526 21.871 ( -0.918 -0.537 0.100) 1.068 22.017 ( 0.214 1.259 2.839) 3.113 22.037 ( 0.370 0.580 1.957) 2.074 22.105 ( 0.328 0.488 -2.731) 2.793 22.121 ( 0.281 0.027 -3.188) 3.200 22.393 ( -0.122 0.236 1.070) 1.102 22.409 ( -0.096 -0.491 -0.528) 0.728 ======================= Grid point 107 (57/64) ======================= q-point: (-0.33 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( -5.821 -4.310 0.584) 7.266 1.284 ( -0.238 -6.947 1.944) 7.218 1.519 ( -7.354 -4.516 1.832) 8.822 1.622 ( 1.501 -3.046 -3.415) 4.816 1.734 ( 1.627 2.214 1.905) 3.343 1.798 ( 3.048 -4.882 2.944) 6.464 1.921 ( 3.368 -2.955 -3.404) 5.627 2.034 ( 2.176 -2.285 -1.577) 3.527 2.105 ( -1.634 3.258 4.011) 5.420 2.220 ( 4.077 4.965 0.063) 6.425 2.264 ( -4.144 3.693 -0.432) 5.567 2.313 ( -3.015 0.396 1.082) 3.228 2.423 ( 4.366 -3.460 -6.563) 8.608 2.494 ( 3.114 -0.756 2.885) 4.312 2.587 ( -2.844 -4.820 4.869) 7.418 2.638 ( 4.570 -2.592 5.071) 7.302 2.691 ( 3.374 3.258 3.910) 6.106 2.768 ( -2.401 6.394 5.484) 8.759 2.819 ( -0.765 -3.942 2.287) 4.621 2.874 ( 0.531 4.405 -1.948) 4.846 3.003 ( -4.067 0.023 5.186) 6.591 3.019 ( -0.895 -3.142 -1.889) 3.774 3.103 ( -1.357 1.860 -6.377) 6.780 3.119 ( -0.191 2.656 5.811) 6.392 3.234 ( 2.879 -3.113 0.917) 4.338 3.266 ( 0.592 -0.201 -4.743) 4.784 3.336 ( 3.595 3.481 -5.025) 7.092 3.371 ( 0.066 -1.548 2.363) 2.826 3.438 ( -0.420 -2.026 -0.346) 2.098 3.555 ( -0.147 -2.862 -2.429) 3.757 3.570 ( -0.067 0.721 -5.539) 5.586 3.618 ( -4.490 -0.031 5.516) 7.112 3.677 ( -4.722 0.981 1.553) 5.067 3.703 ( -2.687 -0.928 4.624) 5.428 3.814 ( 0.358 0.023 -1.526) 1.568 3.889 ( 0.677 -2.025 0.662) 2.235 3.925 ( 0.438 1.318 -5.401) 5.577 3.955 ( 0.451 -3.550 -0.493) 3.613 4.052 ( -0.921 0.642 0.731) 1.339 4.108 ( -4.047 1.192 -5.807) 7.178 4.168 ( -1.836 1.305 1.582) 2.753 4.257 ( -0.285 -1.267 -4.750) 4.925 4.305 ( -1.933 -1.165 -3.107) 3.840 4.395 ( 0.258 -0.942 3.039) 3.192 4.459 ( 0.744 -0.403 -0.804) 1.167 4.504 ( -0.986 -5.858 -5.852) 8.339 4.574 ( 0.787 0.387 -2.026) 2.208 4.643 ( 1.588 1.678 4.473) 5.034 4.720 ( 4.316 -1.996 -0.743) 4.813 4.779 ( 2.432 -7.613 -1.556) 8.142 4.872 ( 2.757 6.446 -5.224) 8.743 5.069 ( 3.827 -2.441 -8.612) 9.735 5.162 ( 1.662 2.155 6.646) 7.181 5.214 ( 2.654 1.520 5.320) 6.136 5.290 ( -2.738 0.509 -0.297) 2.801 5.387 ( 2.977 3.625 3.144) 5.647 5.493 ( -2.327 -5.858 -0.280) 6.310 5.536 ( 1.230 -1.969 2.945) 3.750 5.596 ( 2.418 -4.856 -3.467) 6.438 5.654 ( 1.353 1.583 -1.616) 2.636 5.713 ( 1.348 -5.371 4.851) 7.362 5.816 ( 2.869 -0.715 -3.548) 4.618 5.881 ( 3.543 -6.139 -0.248) 7.092 6.029 ( 3.146 -7.456 -3.083) 8.660 6.128 ( -0.660 5.456 2.421) 6.005 6.247 ( -3.869 2.779 -4.936) 6.860 6.342 ( -2.397 -2.028 -2.349) 3.921 6.414 ( 1.916 -3.822 5.819) 7.221 6.565 ( 1.793 3.705 1.558) 4.401 6.642 ( 1.008 1.433 -2.078) 2.718 6.719 ( -3.960 -2.947 -0.430) 4.955 6.762 ( -1.373 -1.384 4.202) 4.632 6.805 ( -0.507 -1.588 3.279) 3.679 6.890 ( -7.500 -1.930 2.928) 8.279 6.953 ( 2.270 -4.670 -1.406) 5.379 7.028 ( -4.277 -4.248 -5.294) 8.022 7.182 ( 0.418 3.734 3.080) 4.858 7.258 ( 0.147 5.052 2.424) 5.606 7.304 ( 1.907 3.426 4.174) 5.727 7.354 ( -0.472 1.316 -3.687) 3.944 7.459 ( 4.290 -0.661 -1.060) 4.468 7.508 ( 1.406 -1.256 1.905) 2.680 7.556 ( 2.244 6.411 2.781) 7.339 7.696 ( 1.386 -0.475 -2.176) 2.623 7.748 ( -2.745 3.884 0.747) 4.814 7.829 ( -2.015 0.941 5.938) 6.341 7.949 ( 0.459 2.554 -3.777) 4.583 8.032 ( -3.385 3.158 -0.850) 4.707 8.056 ( 1.549 -2.258 3.654) 4.566 8.144 ( -2.219 -0.497 4.841) 5.348 8.282 ( 2.186 2.162 -3.240) 4.466 8.359 ( 3.886 0.525 -2.819) 4.829 8.594 ( -4.470 3.184 -2.096) 5.875 8.753 ( 1.928 -4.863 -2.125) 5.646 8.802 ( -5.878 3.687 -0.428) 6.951 8.983 ( -1.943 -1.534 -1.868) 3.101 9.313 ( -6.348 8.717 -4.357) 11.630 9.583 ( 2.408 -4.174 -1.502) 5.048 9.792 ( -8.709 8.687 2.289) 12.513 9.938 ( 2.100 2.975 -1.976) 4.143 10.152 ( 2.901 -0.865 2.776) 4.107 10.294 ( -1.853 -4.156 0.172) 4.554 10.348 ( -3.308 -3.583 2.591) 5.522 10.556 ( -0.136 -6.158 -3.849) 7.263 12.905 ( 0.042 2.174 0.361) 2.204 12.987 ( -1.544 -1.164 0.354) 1.966 13.057 ( 3.380 1.249 -1.126) 3.775 13.116 ( 2.081 -0.397 0.005) 2.118 13.270 ( 1.494 0.783 0.133) 1.692 13.289 ( 2.254 1.156 -0.430) 2.570 13.298 ( 1.914 -0.575 2.354) 3.088 13.337 ( 1.667 -0.790 -0.813) 2.016 14.071 ( -4.581 2.357 -1.134) 5.275 14.150 ( -3.872 -1.775 -1.030) 4.382 14.294 ( 2.179 3.109 0.630) 3.849 14.343 ( 1.318 0.253 1.459) 1.982 14.452 ( -3.683 1.073 5.237) 6.492 14.512 ( -2.912 -2.345 0.727) 3.809 14.702 ( -0.998 2.911 -5.509) 6.311 14.766 ( 2.474 -0.253 -2.244) 3.350 14.780 ( -1.863 3.867 -0.302) 4.303 14.880 ( -0.446 3.426 -3.131) 4.663 14.944 ( -0.553 -3.412 0.612) 3.510 15.018 ( 2.387 -1.813 0.986) 3.155 15.189 ( 0.127 2.364 -2.018) 3.111 15.304 ( 5.528 -2.743 3.726) 7.209 15.423 ( 3.226 4.907 1.074) 5.970 15.512 ( 4.402 2.503 0.216) 5.068 15.734 ( -6.572 3.475 0.063) 7.435 15.943 ( -2.292 0.596 0.219) 2.378 16.219 ( -0.405 3.267 2.136) 3.924 16.350 ( -7.292 -0.519 2.536) 7.737 16.528 ( -6.420 -2.456 -0.778) 6.917 16.689 ( 8.811 -7.984 1.915) 12.044 16.951 ( 3.104 2.244 3.102) 4.928 17.014 ( 3.933 -0.341 -0.954) 4.061 18.219 ( -0.181 0.950 1.505) 1.788 18.276 ( 0.447 -1.741 1.249) 2.189 18.382 ( 1.078 -1.162 -3.209) 3.579 18.397 ( 2.605 -1.809 -1.043) 3.339 18.774 ( -0.575 2.645 2.448) 3.650 18.809 ( -0.731 1.669 -1.650) 2.458 18.964 ( -2.387 2.339 0.481) 3.376 19.002 ( -1.309 -0.673 0.858) 1.704 19.045 ( -1.203 0.439 -0.783) 1.501 19.116 ( -0.492 -1.631 -0.089) 1.706 19.197 ( 2.704 5.122 1.354) 5.948 19.360 ( 3.449 -3.048 -1.948) 4.998 19.611 ( -0.099 2.670 -0.187) 2.679 19.698 ( 2.998 -1.263 -2.304) 3.986 19.980 ( -2.928 -1.460 1.260) 3.506 20.009 ( -1.175 -2.587 -0.148) 2.846 20.504 ( -3.711 1.032 0.624) 3.902 20.678 ( -3.726 -7.374 0.512) 8.278 20.740 ( 5.795 1.697 -1.376) 6.193 20.870 ( 4.155 -5.098 -0.730) 6.617 21.291 ( 2.542 1.248 -0.257) 2.843 21.363 ( 4.864 -1.983 -0.172) 5.256 21.450 ( 2.238 1.578 -0.060) 2.739 21.491 ( 4.361 -0.668 -0.025) 4.412 21.855 ( -0.427 0.035 0.798) 0.906 21.879 ( 0.487 -0.768 1.137) 1.456 21.994 ( -2.812 1.063 1.108) 3.204 22.020 ( -2.343 0.052 0.727) 2.454 22.082 ( -1.949 0.969 -2.726) 3.489 22.099 ( -2.017 0.371 -2.543) 3.267 22.350 ( -4.197 0.178 0.865) 4.289 22.378 ( -3.070 -0.968 -0.208) 3.226 ======================= Grid point 108 (58/64) ======================= q-point: (-0.17 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( 2.375 5.994 5.613) 8.548 1.324 ( 2.909 6.560 17.117) 18.560 1.390 ( -5.299 -7.200 -1.868) 9.133 1.670 ( 3.169 4.102 -4.958) 7.173 1.769 ( -1.478 0.190 5.166) 5.377 1.837 ( 3.701 -5.618 5.764) 8.859 1.941 ( -5.966 -5.110 4.739) 9.175 1.990 ( -2.067 -6.201 -0.007) 6.536 2.086 ( 0.400 3.323 -2.948) 4.460 2.130 ( -3.939 3.389 -2.598) 5.810 2.271 ( -3.850 5.610 3.882) 7.833 2.334 ( 3.159 0.760 -3.318) 4.644 2.459 ( 1.940 1.164 -2.801) 3.601 2.529 ( 1.081 -1.223 -4.384) 4.678 2.574 ( 1.050 1.868 1.327) 2.520 2.683 ( 0.055 -0.248 -0.051) 0.259 2.749 ( 2.263 2.869 4.389) 5.711 2.826 ( 3.243 -4.060 1.278) 5.351 2.855 ( 3.180 -2.978 -0.330) 4.369 2.895 ( -3.142 0.820 -3.125) 4.506 2.944 ( 0.518 3.902 6.415) 7.526 2.972 ( 0.718 0.548 3.721) 3.829 3.077 ( 0.029 -0.377 -5.464) 5.477 3.109 ( 0.727 4.235 1.228) 4.469 3.278 ( 0.234 -2.265 2.759) 3.577 3.285 ( -1.423 2.337 -2.988) 4.052 3.356 ( -2.397 -3.274 -1.374) 4.284 3.419 ( 1.148 -2.694 2.802) 4.053 3.479 ( 6.467 -2.711 -0.823) 7.060 3.517 ( -0.532 -0.267 0.758) 0.964 3.543 ( 1.865 -0.023 -3.046) 3.572 3.559 ( -4.758 3.402 -0.953) 5.926 3.624 ( 1.058 -0.830 -0.213) 1.361 3.670 ( -1.961 -1.004 0.365) 2.233 3.782 ( -2.570 -1.407 -4.138) 5.071 3.859 ( -3.604 -0.782 0.568) 3.731 3.926 ( -0.979 2.057 -8.795) 9.086 3.972 ( 1.342 -3.139 0.291) 3.427 4.025 ( -1.364 4.014 0.317) 4.251 4.037 ( -2.761 -2.837 -0.271) 3.968 4.138 ( -1.162 -5.380 4.460) 7.085 4.221 ( -0.354 2.265 -2.925) 3.716 4.281 ( -0.484 -5.907 -1.293) 6.067 4.411 ( -3.104 -2.355 -4.932) 6.285 4.447 ( 4.286 -4.952 -3.699) 7.521 4.466 ( -2.259 -0.902 -0.210) 2.441 4.621 ( 2.570 2.770 -4.228) 5.671 4.673 ( 0.096 -2.197 1.150) 2.481 4.781 ( 3.090 -3.731 -2.768) 5.579 4.839 ( 1.962 -5.072 2.490) 5.981 4.935 ( 3.752 0.065 -1.482) 4.035 5.053 ( -2.129 -2.508 -0.501) 3.328 5.224 ( 2.085 8.515 2.398) 9.089 5.261 ( 1.055 -0.877 7.948) 8.066 5.315 ( 3.211 -4.333 0.038) 5.393 5.420 ( -3.317 -2.991 -3.878) 5.914 5.453 ( 2.116 0.545 2.308) 3.178 5.589 ( 2.166 1.097 1.216) 2.716 5.611 ( 1.400 -2.824 0.400) 3.177 5.722 ( 2.787 1.743 -0.328) 3.304 5.758 ( 1.458 -3.570 -0.703) 3.920 5.837 ( 2.518 -3.149 2.463) 4.725 6.011 ( 4.996 -1.783 0.963) 5.391 6.042 ( -0.917 1.192 -1.198) 1.923 6.129 ( 3.011 -5.397 -5.229) 8.096 6.206 ( -1.958 0.647 2.384) 3.151 6.278 ( -2.480 0.139 -0.373) 2.512 6.422 ( -0.458 -5.169 6.574) 8.375 6.574 ( -1.117 -1.005 -1.966) 2.474 6.634 ( -1.192 2.815 -0.560) 3.108 6.655 ( -6.107 -1.455 -9.619) 11.487 6.710 ( -1.849 -2.210 1.625) 3.308 6.780 ( 1.478 0.372 2.806) 3.194 6.836 ( 1.166 0.636 0.306) 1.363 6.953 ( -3.417 -2.340 -4.921) 6.432 6.970 ( -0.996 -4.273 -4.583) 6.345 7.189 ( 0.585 3.601 3.663) 5.170 7.286 ( 3.506 2.582 -1.960) 4.775 7.321 ( -2.051 3.301 5.681) 6.884 7.372 ( 1.592 1.762 3.505) 4.233 7.501 ( 0.936 2.490 5.119) 5.769 7.559 ( 4.892 0.553 2.148) 5.371 7.624 ( 0.922 2.734 0.008) 2.885 7.707 ( -0.833 2.863 0.564) 3.035 7.733 ( 2.405 3.089 0.227) 3.921 7.782 ( -1.812 1.556 4.852) 5.408 7.921 ( -2.518 3.655 3.696) 5.776 8.000 ( 0.254 2.672 -4.599) 5.325 8.098 ( -1.851 0.559 4.816) 5.190 8.151 ( 4.639 -2.310 0.500) 5.207 8.315 ( 1.207 0.931 -1.877) 2.418 8.420 ( 2.790 -1.120 -2.173) 3.710 8.473 ( -6.660 5.202 -1.535) 8.589 8.658 ( -6.745 3.100 -3.832) 8.354 8.762 ( -1.654 -8.546 -2.627) 9.092 8.854 ( -8.594 -4.640 -1.033) 9.821 9.295 ( 4.158 11.289 -3.535) 12.539 9.574 ( -7.365 3.502 1.098) 8.229 9.642 ( 0.729 -1.079 -2.722) 3.018 9.937 ( -7.400 -5.205 0.614) 9.068 10.147 ( -3.665 -2.055 5.282) 6.749 10.223 ( 2.797 -0.625 0.547) 2.917 10.373 ( 1.693 3.063 -1.000) 3.640 10.521 ( -2.529 -3.453 -3.937) 5.816 12.921 ( 1.372 1.048 -1.169) 2.086 12.963 ( -0.877 -1.188 0.160) 1.486 13.129 ( 3.020 1.974 1.372) 3.860 13.172 ( 3.428 0.454 -1.505) 3.771 13.291 ( 0.817 1.757 0.356) 1.970 13.343 ( 1.724 0.424 1.142) 2.111 13.354 ( 3.119 -0.681 1.173) 3.401 13.367 ( 1.618 0.098 0.208) 1.634 13.986 ( -3.335 3.342 -1.297) 4.896 14.050 ( -5.153 0.172 -1.993) 5.528 14.288 ( -1.792 -1.113 2.603) 3.350 14.359 ( -2.889 -3.525 2.163) 5.045 14.416 ( 1.983 2.871 2.176) 4.112 14.503 ( 1.405 -1.637 -1.329) 2.534 14.653 ( -2.183 3.532 -4.070) 5.814 14.707 ( -3.186 0.852 -1.000) 3.447 14.825 ( 1.852 2.672 -0.890) 3.371 14.873 ( 0.004 1.476 -1.427) 2.053 14.948 ( 0.763 -2.980 0.192) 3.082 15.026 ( -0.875 -4.348 -2.295) 4.993 15.258 ( 5.104 4.511 2.070) 7.119 15.362 ( 0.729 0.143 2.303) 2.420 15.536 ( 3.852 5.476 -1.280) 6.817 15.604 ( 3.330 4.302 0.836) 5.504 15.670 ( 2.470 -2.821 2.845) 4.706 15.836 ( -4.004 -5.533 2.764) 7.368 16.132 ( -10.621 2.023 0.774) 10.839 16.259 ( -4.534 -2.194 -2.543) 5.643 16.513 ( 8.665 9.030 4.064) 13.158 16.875 ( 8.068 -7.248 2.361) 11.100 16.965 ( -2.534 2.524 0.075) 3.577 17.063 ( 0.638 -1.811 0.077) 1.922 18.227 ( 0.693 0.800 1.313) 1.687 18.278 ( -0.316 -1.462 0.554) 1.595 18.403 ( 1.377 -1.322 -1.089) 2.198 18.444 ( 1.487 -3.207 -0.847) 3.635 18.762 ( -0.716 2.269 1.712) 2.931 18.791 ( -0.693 1.606 -1.350) 2.210 18.919 ( -1.838 1.651 0.339) 2.494 18.961 ( -2.663 -0.493 0.027) 2.708 19.035 ( 0.021 -0.395 1.083) 1.153 19.078 ( -1.800 -2.687 0.275) 3.246 19.307 ( 6.443 4.708 -0.231) 7.984 19.412 ( 1.463 -1.687 -0.223) 2.244 19.632 ( 2.604 4.214 -0.401) 4.970 19.755 ( 2.462 -1.788 -2.115) 3.705 19.898 ( -4.667 0.725 0.840) 4.797 19.957 ( -4.151 -0.895 -1.042) 4.373 20.474 ( 0.640 -2.258 1.338) 2.701 20.610 ( -2.878 -8.275 -0.777) 8.796 20.856 ( 4.916 -0.116 0.194) 4.921 20.932 ( 2.296 -4.273 -2.385) 5.406 21.363 ( 4.586 3.311 0.614) 5.690 21.444 ( 2.941 -0.495 0.875) 3.108 21.541 ( 5.882 1.572 -0.585) 6.116 21.609 ( 6.276 -1.396 -2.093) 6.761 21.854 ( -0.287 0.024 1.238) 1.271 21.888 ( -0.190 -0.973 1.471) 1.774 21.913 ( -4.502 1.095 -1.058) 4.753 21.948 ( -3.948 -0.288 -1.531) 4.244 22.037 ( -1.735 1.386 -0.990) 2.431 22.056 ( -1.213 0.835 0.014) 1.473 22.241 ( -6.039 0.391 0.481) 6.071 22.288 ( -5.582 -1.258 -0.160) 5.724 ======================= Grid point 109 (59/64) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( -4.553 -5.789 7.708) 10.661 1.202 ( -4.553 5.789 7.708) 10.661 1.652 ( 4.913 -11.422 1.892) 12.577 1.652 ( 4.913 11.422 1.892) 12.577 1.759 ( -0.456 -4.521 17.133) 17.726 1.759 ( -0.456 4.521 17.133) 17.726 1.904 ( 2.240 -2.377 -2.127) 3.898 1.904 ( 2.240 2.378 -2.127) 3.898 2.064 ( -2.209 -1.779 -2.117) 3.539 2.064 ( -2.209 1.779 -2.117) 3.539 2.322 ( -2.306 -1.877 -9.957) 10.392 2.322 ( -2.306 1.877 -9.957) 10.392 2.543 ( -3.093 -4.773 2.483) 6.206 2.543 ( -3.093 4.773 2.483) 6.206 2.635 ( 2.029 -3.228 -5.986) 7.097 2.635 ( 2.029 3.228 -5.986) 7.097 2.764 ( -0.028 -1.671 -3.093) 3.516 2.764 ( -0.028 1.671 -3.093) 3.516 2.889 ( 0.848 -3.836 3.099) 5.003 2.889 ( 0.848 3.836 3.099) 5.003 3.048 ( 3.006 -5.404 2.439) 6.647 3.048 ( 3.006 5.404 2.439) 6.647 3.120 ( -0.893 -4.568 0.017) 4.655 3.120 ( -0.893 4.568 0.017) 4.655 3.298 ( 1.306 -7.403 0.584) 7.540 3.298 ( 1.305 7.403 0.584) 7.540 3.344 ( -1.012 -2.433 -2.011) 3.315 3.344 ( -1.012 2.433 -2.011) 3.315 3.440 ( -1.429 -3.185 -0.724) 3.565 3.440 ( -1.429 3.185 -0.724) 3.565 3.607 ( 3.199 -2.693 1.664) 4.500 3.607 ( 3.199 2.693 1.664) 4.500 3.699 ( 0.436 -4.244 -4.129) 5.937 3.699 ( 0.436 4.244 -4.129) 5.937 3.785 ( -1.739 -7.810 6.334) 10.205 3.785 ( -1.739 7.810 6.334) 10.205 3.836 ( 0.067 -5.346 1.772) 5.632 3.836 ( 0.067 5.346 1.772) 5.632 3.996 ( -3.694 -4.571 -1.001) 5.962 3.996 ( -3.694 4.571 -1.001) 5.962 4.166 ( 1.070 -3.898 -3.446) 5.311 4.166 ( 1.070 3.898 -3.446) 5.311 4.277 ( 1.410 -3.859 -3.020) 5.099 4.277 ( 1.410 3.859 -3.020) 5.099 4.446 ( 1.355 -4.395 -6.294) 7.795 4.446 ( 1.355 4.395 -6.294) 7.795 4.642 ( -1.069 -1.160 -0.929) 1.831 4.642 ( -1.069 1.160 -0.929) 1.831 4.803 ( 0.315 -1.467 -0.717) 1.663 4.803 ( 0.315 1.467 -0.717) 1.663 4.967 ( -2.216 -3.878 5.038) 6.733 4.967 ( -2.216 3.878 5.038) 6.733 5.257 ( 1.057 -2.325 1.642) 3.036 5.257 ( 1.057 2.325 1.642) 3.036 5.377 ( 1.129 -2.596 -1.548) 3.226 5.377 ( 1.129 2.596 -1.548) 3.226 5.541 ( 1.335 -5.188 4.797) 7.191 5.541 ( 1.335 5.188 4.797) 7.191 5.677 ( -1.383 -2.806 -6.313) 7.045 5.677 ( -1.383 2.806 -6.313) 7.045 5.872 ( 2.814 -1.641 0.569) 3.307 5.872 ( 2.814 1.641 0.569) 3.307 6.012 ( -3.362 -3.635 6.408) 8.098 6.012 ( -3.362 3.635 6.408) 8.098 6.110 ( -0.569 -2.888 -1.284) 3.212 6.110 ( -0.569 2.888 -1.284) 3.212 6.320 ( -2.986 -3.190 1.156) 4.520 6.320 ( -2.986 3.190 1.156) 4.520 6.533 ( 2.984 -2.064 1.868) 4.081 6.533 ( 2.984 2.064 1.868) 4.081 6.670 ( -0.221 -1.196 -8.193) 8.282 6.670 ( -0.221 1.196 -8.193) 8.282 6.860 ( -0.815 -1.354 -1.333) 2.068 6.860 ( -0.815 1.354 -1.333) 2.068 6.885 ( 0.683 -3.484 -3.518) 4.998 6.885 ( 0.683 3.484 -3.518) 4.998 7.285 ( -3.436 -2.666 6.626) 7.926 7.285 ( -3.436 2.666 6.626) 7.926 7.367 ( 2.004 -2.065 -1.078) 3.073 7.367 ( 2.004 2.065 -1.078) 3.073 7.638 ( 1.868 -1.070 3.832) 4.395 7.638 ( 1.868 1.070 3.832) 4.395 7.677 ( -0.230 -3.147 -0.338) 3.174 7.677 ( -0.230 3.147 -0.338) 3.174 7.836 ( 3.050 -2.121 4.493) 5.830 7.836 ( 3.050 2.121 4.493) 5.830 7.915 ( -1.609 -1.444 -0.384) 2.196 7.915 ( -1.609 1.444 -0.384) 2.196 8.175 ( 1.486 -2.296 1.672) 3.206 8.175 ( 1.486 2.296 1.672) 3.206 8.362 ( -0.794 -2.332 -3.784) 4.515 8.362 ( -0.794 2.332 -3.784) 4.515 8.558 ( 0.144 -5.126 -0.892) 5.205 8.558 ( 0.144 5.126 -0.892) 5.205 8.637 ( -1.707 -2.628 -2.267) 3.868 8.637 ( -1.707 2.628 -2.267) 3.868 9.515 ( -5.786 -6.242 4.149) 9.469 9.515 ( -5.786 6.242 4.149) 9.469 9.644 ( 4.882 -6.593 -2.565) 8.595 9.644 ( 4.882 6.593 -2.565) 8.595 10.248 ( 2.177 -2.284 0.468) 3.190 10.248 ( 2.177 2.284 0.468) 3.190 10.416 ( -1.951 -1.812 -1.207) 2.924 10.416 ( -1.951 1.812 -1.207) 2.924 12.944 ( 0.021 -0.213 -0.736) 0.766 12.944 ( 0.021 0.213 -0.736) 0.766 13.191 ( -0.565 -1.401 0.691) 1.661 13.191 ( -0.565 1.401 0.691) 1.661 13.343 ( 0.169 -0.720 0.016) 0.740 13.343 ( 0.169 0.720 0.016) 0.740 13.400 ( 0.797 -0.703 0.766) 1.310 13.400 ( 0.797 0.703 0.766) 1.310 13.992 ( -0.447 -0.234 -1.053) 1.167 13.992 ( -0.447 0.234 -1.053) 1.167 14.252 ( -0.129 -0.908 1.408) 1.681 14.252 ( -0.129 0.908 1.408) 1.681 14.494 ( 0.283 -1.460 0.031) 1.487 14.494 ( 0.283 1.460 0.031) 1.487 14.675 ( 0.153 -0.524 -0.913) 1.064 14.675 ( 0.153 0.524 -0.913) 1.064 14.892 ( -0.235 -0.818 -0.882) 1.226 14.892 ( -0.235 0.818 -0.882) 1.226 14.921 ( -0.484 -2.513 -1.341) 2.890 14.921 ( -0.484 2.513 -1.341) 2.890 15.371 ( 0.175 -0.705 1.203) 1.406 15.371 ( 0.175 0.705 1.203) 1.406 15.609 ( -0.500 -1.327 -0.366) 1.464 15.609 ( -0.500 1.327 -0.366) 1.464 15.817 ( 4.428 -1.513 3.627) 5.921 15.817 ( 4.428 1.513 3.627) 5.921 16.024 ( -3.419 -4.692 -2.574) 6.350 16.024 ( -3.419 4.692 -2.574) 6.350 16.876 ( 1.004 -6.192 4.844) 7.926 16.876 ( 1.004 6.192 4.844) 7.926 16.963 ( 0.147 -5.612 -3.809) 6.784 16.963 ( 0.147 5.612 -3.809) 6.784 18.256 ( 0.183 -0.716 1.091) 1.318 18.256 ( 0.183 0.716 1.091) 1.318 18.409 ( -0.381 -0.901 -0.931) 1.350 18.409 ( -0.381 0.901 -0.931) 1.350 18.783 ( -0.790 -0.962 1.384) 1.862 18.783 ( -0.790 0.962 1.384) 1.862 18.913 ( -0.035 -0.516 0.182) 0.549 18.913 ( -0.035 0.516 0.182) 0.549 19.034 ( -0.022 -0.848 0.801) 1.167 19.034 ( -0.022 0.848 0.801) 1.167 19.411 ( 0.128 -0.298 0.077) 0.333 19.411 ( 0.128 0.298 0.077) 0.333 19.739 ( -1.466 -1.307 1.559) 2.508 19.739 ( -1.466 1.307 1.559) 2.508 19.894 ( 1.967 -1.484 -2.393) 3.435 19.894 ( 1.967 1.484 -2.393) 3.435 20.470 ( -0.470 -1.223 0.278) 1.339 20.470 ( -0.470 1.223 0.278) 1.339 20.909 ( 0.305 -0.793 -1.870) 2.054 20.909 ( 0.305 0.793 -1.870) 2.054 21.490 ( 1.637 -0.130 2.245) 2.781 21.490 ( 1.637 0.130 2.245) 2.781 21.610 ( -2.972 -0.562 -2.728) 4.073 21.610 ( -2.972 0.562 -2.728) 4.073 21.849 ( 0.419 -0.328 0.359) 0.642 21.849 ( 0.419 0.328 0.359) 0.642 21.897 ( -0.052 -0.442 -0.135) 0.465 21.897 ( -0.052 0.442 -0.135) 0.465 22.065 ( 1.067 -0.224 -0.548) 1.221 22.065 ( 1.067 0.224 -0.548) 1.221 22.178 ( -0.438 -0.431 0.412) 0.740 22.178 ( -0.438 0.431 0.412) 0.740 ======================= Grid point 111 (60/64) ======================= q-point: ( 0.17 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( -5.542 -8.129 7.603) 12.434 1.083 ( -5.542 8.129 7.603) 12.434 1.666 ( -3.724 -7.049 -0.624) 7.997 1.666 ( -3.724 7.049 -0.624) 7.997 1.810 ( 0.648 -7.061 6.081) 9.341 1.810 ( 0.648 7.061 6.081) 9.341 1.939 ( 3.962 -4.268 2.544) 6.355 1.939 ( 3.962 4.268 2.544) 6.355 2.070 ( -0.003 -2.599 0.747) 2.704 2.070 ( -0.003 2.599 0.747) 2.704 2.289 ( 0.352 -3.014 -2.424) 3.884 2.289 ( 0.352 3.014 -2.424) 3.884 2.465 ( -4.137 -1.959 -2.497) 5.214 2.465 ( -4.137 1.959 -2.497) 5.214 2.610 ( -1.153 -2.411 4.840) 5.528 2.610 ( -1.153 2.411 4.840) 5.528 2.762 ( -1.929 -2.560 -4.542) 5.559 2.762 ( -1.929 2.560 -4.542) 5.559 2.946 ( 3.636 -4.607 0.716) 5.913 2.946 ( 3.636 4.607 0.716) 5.913 3.034 ( -1.682 -4.678 -2.136) 5.411 3.034 ( -1.682 4.678 -2.136) 5.411 3.169 ( 3.640 -6.584 0.606) 7.548 3.169 ( 3.640 6.584 0.606) 7.548 3.300 ( -2.998 -6.267 -0.460) 6.962 3.300 ( -2.998 6.267 -0.460) 6.962 3.306 ( -0.594 -5.593 -1.887) 5.933 3.306 ( -0.594 5.593 -1.887) 5.933 3.453 ( 1.839 -5.059 0.617) 5.419 3.453 ( 1.839 5.059 0.617) 5.419 3.593 ( -3.245 -1.533 -5.209) 6.325 3.593 ( -3.245 1.533 -5.209) 6.325 3.711 ( 1.925 -1.597 -1.036) 2.707 3.711 ( 1.925 1.597 -1.036) 2.707 3.796 ( 2.414 -6.722 4.025) 8.198 3.796 ( 2.414 6.722 4.025) 8.198 3.878 ( 1.866 -4.685 5.458) 7.431 3.878 ( 1.866 4.685 5.458) 7.431 3.994 ( 3.344 -3.255 -0.636) 4.710 3.994 ( 3.344 3.255 -0.636) 4.710 4.130 ( -0.359 -4.703 -2.437) 5.309 4.130 ( -0.359 4.703 -2.437) 5.309 4.348 ( 1.853 -1.688 -2.926) 3.853 4.348 ( 1.853 1.688 -2.926) 3.853 4.445 ( -1.012 -3.198 -4.775) 5.836 4.445 ( -1.012 3.198 -4.775) 5.836 4.629 ( 0.694 -1.140 0.015) 1.334 4.629 ( 0.694 1.140 0.015) 1.334 4.787 ( -1.403 -4.201 -2.309) 4.995 4.787 ( -1.403 4.201 -2.309) 4.995 4.892 ( -5.250 -4.867 5.534) 9.048 4.892 ( -5.250 4.867 5.534) 9.048 5.311 ( 3.647 -1.413 -0.504) 3.943 5.311 ( 3.647 1.413 -0.504) 3.943 5.386 ( 0.315 -3.285 -1.880) 3.799 5.386 ( 0.315 3.285 -1.880) 3.799 5.531 ( -3.688 -1.182 2.402) 4.558 5.531 ( -3.688 1.182 2.402) 4.558 5.660 ( 0.674 -5.080 -3.235) 6.060 5.660 ( 0.674 5.080 -3.235) 6.060 5.835 ( -4.591 -4.580 -2.996) 7.143 5.835 ( -4.591 4.580 -2.996) 7.143 5.938 ( -5.815 -3.067 4.800) 8.140 5.938 ( -5.815 3.067 4.800) 8.140 6.101 ( 0.930 -3.105 2.138) 3.883 6.101 ( 0.930 3.105 2.138) 3.883 6.325 ( 2.719 -4.507 5.499) 7.612 6.325 ( 2.719 4.507 5.499) 7.612 6.566 ( -0.722 -3.221 -2.366) 4.062 6.566 ( -0.722 3.221 -2.366) 4.062 6.697 ( 3.023 -4.269 -0.554) 5.260 6.697 ( 3.023 4.269 -0.554) 5.260 6.848 ( 0.191 -2.064 -2.619) 3.340 6.848 ( 0.191 2.064 -2.619) 3.340 6.894 ( 0.342 -3.840 -1.355) 4.087 6.894 ( 0.342 3.840 -1.355) 4.087 7.245 ( 1.629 -2.508 2.794) 4.093 7.245 ( 1.629 2.508 2.794) 4.093 7.390 ( -1.421 -1.626 1.095) 2.421 7.390 ( -1.421 1.626 1.095) 2.421 7.590 ( -4.854 -0.893 -0.758) 4.993 7.590 ( -4.854 0.893 -0.758) 4.993 7.662 ( -1.379 -2.574 0.673) 2.997 7.662 ( -1.379 2.574 0.673) 2.997 7.870 ( 0.792 -3.080 -1.193) 3.397 7.870 ( 0.792 3.080 -1.193) 3.397 7.969 ( 2.316 -2.291 2.272) 3.972 7.969 ( 2.316 2.291 2.272) 3.972 8.184 ( 0.884 -4.417 2.046) 4.947 8.184 ( 0.884 4.417 2.046) 4.947 8.323 ( -2.457 -3.578 -5.414) 6.939 8.323 ( -2.457 3.578 -5.414) 6.939 8.594 ( 3.277 -5.309 -0.812) 6.291 8.594 ( 3.277 5.309 -0.812) 6.291 8.714 ( 8.077 -5.836 1.190) 10.035 8.714 ( 8.077 5.836 1.190) 10.035 9.407 ( -3.137 -8.242 3.532) 9.500 9.407 ( -3.137 8.242 3.532) 9.500 9.814 ( 9.237 -8.564 -1.010) 12.636 9.814 ( 9.237 8.564 -1.010) 12.636 10.259 ( -0.594 -0.379 -4.399) 4.455 10.259 ( -0.594 0.379 -4.399) 4.455 10.383 ( -1.381 -2.362 3.270) 4.264 10.383 ( -1.381 2.362 3.270) 4.264 12.942 ( 0.147 -1.676 -0.665) 1.809 12.942 ( 0.147 1.676 -0.665) 1.809 13.146 ( -3.561 -1.265 1.397) 4.029 13.146 ( -3.561 1.265 1.397) 4.029 13.328 ( -1.455 -1.190 -0.162) 1.886 13.328 ( -1.455 1.190 -0.162) 1.886 13.383 ( -2.396 -1.427 -0.722) 2.880 13.383 ( -2.396 1.427 -0.722) 2.880 14.023 ( 3.249 -1.594 -0.002) 3.619 14.023 ( 3.249 1.594 -0.002) 3.619 14.299 ( 3.797 -1.270 1.515) 4.280 14.299 ( 3.797 1.270 1.515) 4.280 14.481 ( -0.603 -1.086 -0.346) 1.290 14.481 ( -0.603 1.086 -0.346) 1.290 14.689 ( 0.458 -2.255 -0.997) 2.508 14.689 ( 0.458 2.255 -0.997) 2.508 14.886 ( -1.026 -3.689 0.678) 3.888 14.886 ( -1.026 3.689 0.678) 3.888 14.911 ( 0.743 -2.303 -1.363) 2.778 14.911 ( 0.743 2.303 -1.363) 2.778 15.350 ( -2.076 -2.691 0.155) 3.403 15.350 ( -2.076 2.691 0.155) 3.403 15.606 ( -2.409 -4.901 1.144) 5.579 15.606 ( -2.409 4.901 1.144) 5.579 15.784 ( -0.687 -7.846 -3.867) 8.774 15.784 ( -0.687 7.846 -3.867) 8.774 16.138 ( 9.763 -2.262 3.023) 10.468 16.138 ( 9.763 2.262 3.023) 10.468 16.740 ( -9.564 -8.072 -0.271) 12.518 16.740 ( -9.564 8.072 -0.271) 12.518 17.027 ( 1.580 -2.575 -0.624) 3.085 17.027 ( 1.580 2.575 -0.624) 3.085 18.256 ( -0.345 -0.466 1.129) 1.269 18.256 ( -0.345 0.466 1.129) 1.269 18.389 ( -1.330 -1.675 -0.890) 2.317 18.389 ( -1.330 1.675 -0.890) 2.317 18.773 ( -0.056 -0.761 2.412) 2.530 18.773 ( -0.056 0.761 2.412) 2.530 18.949 ( 3.158 -1.916 0.019) 3.694 18.949 ( 3.158 1.916 0.019) 3.694 19.038 ( 0.291 -1.713 0.644) 1.853 19.038 ( 0.291 1.713 0.644) 1.853 19.379 ( -3.197 -2.460 -0.189) 4.038 19.379 ( -3.197 2.460 -0.189) 4.038 19.683 ( -2.899 -2.118 1.308) 3.821 19.683 ( -2.899 2.118 1.308) 3.821 19.962 ( 3.525 -1.566 -2.792) 4.762 19.962 ( 3.525 1.566 -2.792) 4.762 20.479 ( 1.707 -1.876 0.950) 2.708 20.479 ( 1.707 1.876 0.950) 2.708 20.875 ( -3.294 -0.526 -1.649) 3.721 20.875 ( -3.294 0.526 -1.649) 3.721 21.434 ( -5.538 -2.380 -0.692) 6.067 21.434 ( -5.538 2.380 -0.692) 6.067 21.540 ( -3.975 -1.197 1.573) 4.440 21.540 ( -3.975 1.197 1.573) 4.440 21.873 ( 1.222 -0.400 0.791) 1.510 21.873 ( 1.222 0.400 0.791) 1.510 21.922 ( 2.642 -0.194 -0.263) 2.662 21.922 ( 2.642 0.194 -0.263) 2.662 22.070 ( 0.830 -1.000 -1.595) 2.058 22.070 ( 0.830 1.000 -1.595) 2.058 22.261 ( 6.121 -1.320 0.266) 6.268 22.261 ( 6.121 1.320 0.266) 6.268 ======================= Grid point 113 (61/64) ======================= q-point: ( 0.33 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( 0.896 -7.039 -1.354) 7.223 1.047 ( 0.896 7.039 -1.354) 7.223 1.592 ( -1.591 -4.463 -0.046) 4.738 1.592 ( -1.591 4.463 -0.046) 4.738 1.777 ( -3.165 -4.801 -4.101) 7.063 1.777 ( -3.165 4.801 -4.101) 7.063 1.981 ( -1.665 -2.319 4.460) 5.296 1.981 ( -1.665 2.319 4.460) 5.296 2.131 ( 6.210 -6.033 9.378) 12.764 2.131 ( 6.210 6.033 9.378) 12.764 2.224 ( -6.133 -3.952 -1.233) 7.399 2.224 ( -6.133 3.952 -1.233) 7.399 2.446 ( 1.719 -6.920 3.076) 7.766 2.446 ( 1.719 6.920 3.076) 7.766 2.599 ( -4.219 -3.454 1.244) 5.592 2.599 ( -4.219 3.454 1.244) 5.592 2.691 ( -0.691 -3.503 0.038) 3.571 2.691 ( -0.691 3.503 0.038) 3.571 2.994 ( 1.674 -7.777 0.344) 7.963 2.994 ( 1.674 7.777 0.344) 7.963 3.054 ( 1.991 -1.205 -0.882) 2.489 3.054 ( 1.991 1.205 -0.882) 2.489 3.188 ( -2.477 -3.654 5.194) 6.817 3.188 ( -2.477 3.654 5.194) 6.817 3.230 ( -2.723 -6.436 -8.095) 10.694 3.230 ( -2.723 6.436 -8.095) 10.694 3.304 ( 1.099 -3.538 -5.086) 6.293 3.304 ( 1.099 3.538 -5.086) 6.293 3.486 ( 2.527 -5.258 -2.733) 6.442 3.486 ( 2.527 5.258 -2.733) 6.442 3.566 ( 0.472 -4.074 -0.535) 4.136 3.566 ( 0.472 4.074 -0.535) 4.136 3.716 ( -1.696 -5.261 3.985) 6.814 3.716 ( -1.696 5.261 3.985) 6.814 3.839 ( 0.666 -2.468 0.941) 2.723 3.839 ( 0.666 2.468 0.941) 2.723 3.946 ( 2.834 -6.802 -0.915) 7.426 3.946 ( 2.834 6.802 -0.915) 7.426 4.061 ( 4.742 -5.441 -3.460) 8.004 4.061 ( 4.742 5.441 -3.460) 8.004 4.227 ( 7.911 -5.866 2.992) 10.293 4.227 ( 7.911 5.866 2.992) 10.293 4.290 ( -3.384 -3.836 -4.941) 7.112 4.290 ( -3.384 3.836 -4.941) 7.112 4.428 ( -1.227 -3.356 3.727) 5.163 4.428 ( -1.227 3.356 3.727) 5.163 4.628 ( -2.206 -4.848 0.104) 5.327 4.628 ( -2.206 4.848 0.104) 5.327 4.732 ( -4.570 -0.845 -0.069) 4.648 4.732 ( -4.570 0.845 -0.069) 4.648 4.848 ( 2.370 -1.557 -0.156) 2.840 4.848 ( 2.370 1.557 -0.156) 2.840 5.328 ( -3.698 -3.270 -1.999) 5.326 5.328 ( -3.698 3.270 -1.999) 5.326 5.403 ( 0.807 -3.916 -3.856) 5.555 5.403 ( 0.807 3.916 -3.856) 5.555 5.466 ( -0.377 -0.936 0.792) 1.283 5.466 ( -0.377 0.936 0.792) 1.283 5.629 ( -3.306 -3.228 -1.605) 4.892 5.629 ( -3.306 3.228 -1.605) 4.892 5.758 ( -1.504 -5.676 -4.461) 7.374 5.758 ( -1.504 5.676 -4.461) 7.374 5.839 ( -4.497 -5.312 2.276) 7.322 5.839 ( -4.497 5.312 2.276) 7.322 6.149 ( 3.277 -3.453 7.922) 9.242 6.149 ( 3.277 3.453 7.922) 9.242 6.395 ( 2.724 -5.490 0.499) 6.149 6.395 ( 2.724 5.490 0.499) 6.149 6.529 ( -1.443 -3.692 2.894) 4.908 6.529 ( -1.443 3.692 2.894) 4.908 6.752 ( 1.269 -1.829 4.729) 5.227 6.752 ( 1.269 1.829 4.729) 5.227 6.808 ( -2.220 -5.640 -1.051) 6.152 6.808 ( -2.220 5.640 -1.051) 6.152 6.981 ( 7.912 -3.060 -3.906) 9.339 6.981 ( 7.912 3.060 -3.906) 9.339 7.296 ( -5.544 -1.039 6.878) 8.895 7.296 ( -5.544 1.039 6.878) 8.895 7.348 ( 4.753 -3.896 -5.427) 8.199 7.348 ( 4.753 3.896 -5.427) 8.199 7.488 ( -5.452 -1.926 -4.327) 7.222 7.488 ( -5.452 1.926 -4.327) 7.222 7.629 ( -1.616 -3.339 4.081) 5.515 7.629 ( -1.616 3.339 4.081) 5.515 7.868 ( 0.045 -5.009 -1.967) 5.381 7.868 ( 0.045 5.009 -1.967) 5.381 7.976 ( -1.380 -3.240 0.021) 3.522 7.976 ( -1.380 3.240 0.021) 3.522 8.226 ( 2.378 -1.963 -0.244) 3.093 8.226 ( 2.378 1.963 -0.244) 3.093 8.263 ( -2.537 -3.540 -0.952) 4.459 8.263 ( -2.537 3.540 -0.952) 4.459 8.645 ( 1.577 -4.623 -2.088) 5.312 8.645 ( 1.577 4.623 -2.088) 5.312 8.885 ( 6.950 -4.823 2.012) 8.695 8.885 ( 6.950 4.823 2.012) 8.695 9.420 ( 3.719 -8.820 0.880) 9.612 9.420 ( 3.719 8.820 0.880) 9.612 9.937 ( 2.065 -2.658 0.091) 3.368 9.937 ( 2.065 2.658 0.091) 3.368 10.257 ( 1.845 -1.775 -4.312) 5.015 10.257 ( 1.845 1.775 -4.312) 5.015 10.359 ( -1.493 -4.189 3.795) 5.846 10.359 ( -1.493 4.189 3.795) 5.846 12.959 ( 1.731 -2.692 -0.560) 3.249 12.959 ( 1.731 2.692 -0.560) 3.249 13.071 ( -3.791 -2.479 1.018) 4.643 13.071 ( -3.791 2.479 1.018) 4.643 13.295 ( -1.556 -1.134 0.171) 1.933 13.295 ( -1.556 1.134 0.171) 1.933 13.324 ( -2.777 -1.429 -0.922) 3.256 13.324 ( -2.777 1.429 -0.922) 3.256 14.098 ( 3.750 -2.168 0.483) 4.359 14.098 ( 3.750 2.168 0.483) 4.359 14.338 ( -0.853 -1.273 0.585) 1.640 14.338 ( -0.853 1.273 0.585) 1.640 14.528 ( 5.576 -0.989 -1.043) 5.758 14.528 ( 5.576 0.989 -1.043) 5.758 14.667 ( -2.578 -2.843 2.267) 4.458 14.667 ( -2.578 2.843 2.267) 4.458 14.878 ( 0.839 -1.014 0.287) 1.347 14.878 ( 0.839 1.014 0.287) 1.347 14.933 ( 0.860 -0.831 -1.245) 1.726 14.933 ( 0.860 0.831 -1.245) 1.726 15.292 ( -3.565 -4.566 -2.158) 6.182 15.292 ( -3.565 4.566 -2.158) 6.182 15.507 ( -4.978 -2.706 -0.266) 5.673 15.507 ( -4.978 2.706 -0.266) 5.673 15.867 ( 7.066 -6.722 -1.252) 9.833 15.867 ( 7.066 6.722 -1.252) 9.833 16.293 ( 2.563 -3.874 2.699) 5.372 16.293 ( 2.563 3.874 2.699) 5.372 16.579 ( -3.899 -6.168 -0.994) 7.364 16.579 ( -3.899 6.168 -0.994) 7.364 16.999 ( -3.612 -0.925 0.302) 3.741 16.999 ( -3.612 0.925 0.302) 3.741 18.249 ( -0.489 -0.854 1.862) 2.106 18.249 ( -0.489 0.854 1.862) 2.106 18.363 ( -0.844 -2.123 -2.193) 3.167 18.363 ( -0.844 2.123 -2.193) 3.167 18.790 ( 1.144 -1.066 2.827) 3.230 18.790 ( 1.144 1.066 2.827) 3.230 19.010 ( 1.859 -1.403 -1.406) 2.720 19.010 ( 1.859 1.403 -1.406) 2.720 19.056 ( 2.090 -3.384 1.136) 4.136 19.056 ( 2.090 3.384 1.136) 4.136 19.298 ( -4.352 -3.186 -0.445) 5.412 19.298 ( -4.352 3.186 -0.445) 5.412 19.647 ( -0.879 -1.184 0.714) 1.638 19.647 ( -0.879 1.184 0.714) 1.638 19.998 ( 0.507 -2.172 -1.835) 2.889 19.998 ( 0.507 2.172 -1.835) 2.889 20.551 ( 5.184 -3.231 0.939) 6.180 20.551 ( 5.184 3.231 0.939) 6.180 20.786 ( -5.065 -3.015 -0.760) 5.943 20.786 ( -5.065 3.015 -0.760) 5.943 21.325 ( -4.776 -1.854 -0.469) 5.144 21.325 ( -4.776 1.854 -0.469) 5.144 21.469 ( -2.514 -1.146 0.362) 2.787 21.469 ( -2.514 1.147 0.362) 2.787 21.875 ( -0.496 -0.783 -0.090) 0.931 21.875 ( -0.496 0.783 -0.090) 0.931 21.996 ( 3.342 -0.619 2.247) 4.075 21.996 ( 3.342 0.619 2.247) 4.075 22.097 ( 1.655 -0.680 -2.380) 2.978 22.097 ( 1.655 0.680 -2.380) 2.978 22.364 ( 3.657 -0.884 0.049) 3.763 22.364 ( 3.657 0.884 0.049) 3.763 ======================= Grid point 115 (62/64) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( 1.618 -4.752 -8.539) 9.905 1.071 ( 1.618 4.752 -8.539) 9.905 1.612 ( -0.023 -0.463 1.769) 1.828 1.612 ( -0.023 0.463 1.769) 1.828 1.698 ( -1.753 -2.229 -2.826) 4.003 1.698 ( -1.753 2.229 -2.826) 4.003 1.949 ( -1.215 -0.655 5.210) 5.390 1.949 ( -1.215 0.655 5.210) 5.390 2.133 ( 1.286 -5.219 -1.830) 5.678 2.133 ( 1.286 5.219 -1.830) 5.678 2.317 ( 7.958 -2.426 8.375) 11.805 2.317 ( 7.958 2.426 8.375) 11.805 2.432 ( -4.730 -6.358 0.421) 7.935 2.432 ( -4.730 6.358 0.421) 7.935 2.501 ( -1.800 -3.456 1.407) 4.143 2.501 ( -1.800 3.456 1.407) 4.143 2.730 ( 1.623 -4.311 6.455) 7.930 2.730 ( 1.623 4.311 6.455) 7.930 3.002 ( -1.502 -4.938 1.773) 5.458 3.002 ( -1.502 4.938 1.773) 5.458 3.061 ( -2.502 -4.777 -2.216) 5.830 3.061 ( -2.502 4.777 -2.216) 5.830 3.109 ( -3.425 -6.084 -4.728) 8.432 3.109 ( -3.425 6.084 -4.727) 8.432 3.186 ( 0.695 -3.782 2.714) 4.706 3.186 ( 0.695 3.782 2.714) 4.706 3.364 ( 4.322 -6.321 -9.131) 11.917 3.364 ( 4.322 6.321 -9.131) 11.917 3.501 ( -2.497 -1.120 2.545) 3.737 3.501 ( -2.497 1.120 2.545) 3.737 3.592 ( 2.538 -4.464 -4.062) 6.548 3.592 ( 2.538 4.464 -4.062) 6.548 3.687 ( -1.180 -3.290 6.254) 7.165 3.687 ( -1.180 3.290 6.254) 7.165 3.840 ( 0.170 -1.251 2.887) 3.151 3.840 ( 0.170 1.251 2.887) 3.151 3.948 ( -1.709 -2.636 -6.202) 6.952 3.948 ( -1.709 2.636 -6.202) 6.952 4.115 ( 0.016 -3.424 -3.749) 5.077 4.115 ( 0.016 3.424 -3.749) 5.077 4.268 ( 1.695 -3.423 -4.403) 5.829 4.268 ( 1.695 3.423 -4.403) 5.829 4.376 ( 0.579 -1.449 3.467) 3.802 4.376 ( 0.579 1.449 3.467) 3.802 4.413 ( 1.618 -2.666 4.419) 5.408 4.413 ( 1.618 2.666 4.419) 5.408 4.587 ( -0.641 -1.242 -3.791) 4.041 4.587 ( -0.641 1.242 -3.791) 4.041 4.650 ( -1.060 -1.349 4.841) 5.136 4.650 ( -1.060 1.349 4.841) 5.136 4.942 ( 5.636 -4.011 -3.576) 7.787 4.942 ( 5.636 4.011 -3.576) 7.787 5.211 ( -5.398 -0.653 -1.089) 5.546 5.211 ( -5.398 0.653 -1.089) 5.546 5.394 ( -0.304 -1.270 -2.639) 2.944 5.394 ( -0.304 1.270 -2.639) 2.944 5.468 ( -0.902 -3.376 -0.421) 3.519 5.468 ( -0.902 3.376 -0.421) 3.519 5.592 ( -0.850 -4.449 -0.283) 4.538 5.592 ( -0.850 4.449 -0.283) 4.538 5.742 ( -1.889 -6.374 -0.780) 6.693 5.742 ( -1.889 6.374 -0.780) 6.693 5.792 ( 3.215 -5.795 -2.620) 7.126 5.792 ( 3.215 5.795 -2.620) 7.126 6.236 ( 3.101 -5.225 9.842) 11.567 6.236 ( 3.101 5.225 9.842) 11.567 6.399 ( -1.818 -4.409 -4.980) 6.896 6.399 ( -1.818 4.409 -4.980) 6.896 6.563 ( 3.559 -2.834 4.265) 6.236 6.563 ( 3.559 2.834 4.265) 6.236 6.705 ( -3.022 -1.837 2.501) 4.331 6.705 ( -3.022 1.837 2.501) 4.331 6.834 ( 2.020 -2.554 -0.234) 3.265 6.834 ( 2.020 2.554 -0.234) 3.265 7.109 ( -4.112 -4.612 -0.331) 6.188 7.109 ( -4.112 4.612 -0.331) 6.188 7.179 ( 2.241 -1.777 4.847) 5.628 7.179 ( 2.241 1.777 4.847) 5.628 7.383 ( -3.117 -3.932 -3.149) 5.924 7.383 ( -3.117 3.932 -3.149) 5.924 7.427 ( 2.582 -2.970 -5.204) 6.524 7.427 ( 2.582 2.970 -5.204) 6.524 7.624 ( 0.381 -3.248 4.713) 5.737 7.624 ( 0.381 3.248 4.713) 5.737 7.860 ( -1.831 -0.302 0.589) 1.947 7.860 ( -1.831 0.302 0.589) 1.947 7.956 ( 1.153 -1.011 -2.704) 3.109 7.956 ( 1.153 1.011 -2.704) 3.109 8.179 ( -4.197 -1.661 -0.272) 4.522 8.179 ( -4.197 1.661 -0.272) 4.522 8.299 ( 2.775 -1.963 1.750) 3.823 8.299 ( 2.775 1.963 1.750) 3.823 8.660 ( 0.592 -1.865 -3.283) 3.822 8.660 ( 0.592 1.865 -3.283) 3.822 8.961 ( 0.416 -2.710 1.391) 3.075 8.961 ( 0.416 2.710 1.391) 3.075 9.493 ( 1.674 -2.801 -2.124) 3.893 9.493 ( 1.674 2.801 -2.124) 3.893 9.937 ( 0.078 -0.957 -0.876) 1.300 9.937 ( 0.078 0.957 -0.876) 1.300 10.244 ( -4.550 -6.613 5.174) 9.550 10.244 ( -4.550 6.613 5.174) 9.550 10.380 ( 3.617 -6.267 -3.270) 7.940 10.380 ( 3.617 6.267 -3.270) 7.940 12.981 ( -1.647 -3.042 2.071) 4.032 12.981 ( -1.647 3.042 2.071) 4.032 13.033 ( 2.048 -2.733 -2.430) 4.192 13.033 ( 2.048 2.733 -2.430) 4.192 13.271 ( -0.715 -1.479 1.381) 2.146 13.271 ( -0.715 1.479 1.381) 2.146 13.294 ( 0.120 -1.405 -1.027) 1.744 13.294 ( 0.120 1.405 -1.027) 1.744 14.150 ( 0.554 -0.379 0.134) 0.685 14.150 ( 0.554 0.379 0.134) 0.685 14.315 ( -0.248 -0.705 0.187) 0.770 14.315 ( -0.248 0.705 0.187) 0.770 14.564 ( -3.883 -1.518 0.738) 4.233 14.564 ( -3.883 1.518 0.738) 4.233 14.683 ( 4.880 -0.484 1.478) 5.122 14.683 ( 4.880 0.484 1.478) 5.122 14.902 ( -1.009 -4.398 1.028) 4.628 14.902 ( -1.009 4.398 1.028) 4.628 14.937 ( 1.587 -3.561 -2.920) 4.871 14.937 ( 1.587 3.562 -2.920) 4.871 15.223 ( -1.996 -2.302 -2.011) 3.651 15.223 ( -1.996 2.302 -2.011) 3.651 15.456 ( -0.087 -0.678 0.097) 0.691 15.456 ( -0.087 0.678 0.097) 0.691 15.970 ( -0.003 -1.311 0.411) 1.374 15.970 ( -0.003 1.311 0.411) 1.374 16.260 ( -0.090 -1.265 -0.037) 1.269 16.260 ( -0.090 1.265 -0.037) 1.269 16.580 ( -0.563 -1.214 1.753) 2.205 16.580 ( -0.563 1.214 1.753) 2.205 16.943 ( -0.232 -1.614 0.544) 1.719 16.943 ( -0.232 1.614 0.544) 1.719 18.244 ( -0.298 -1.023 2.235) 2.476 18.244 ( -0.298 1.023 2.235) 2.476 18.356 ( 0.593 -1.276 -3.205) 3.501 18.356 ( 0.593 1.276 -3.205) 3.501 18.813 ( 0.557 -1.351 2.276) 2.705 18.813 ( 0.557 1.351 2.276) 2.705 19.014 ( -0.607 -0.700 -0.746) 1.189 19.014 ( -0.607 0.700 -0.746) 1.189 19.102 ( 0.666 -0.456 -0.247) 0.844 19.102 ( 0.666 0.456 -0.247) 0.844 19.238 ( -0.310 -2.484 -0.110) 2.506 19.238 ( -0.310 2.484 -0.110) 2.506 19.644 ( 0.387 -0.712 0.144) 0.823 19.644 ( 0.387 0.712 0.144) 0.823 19.992 ( -0.638 -1.445 -0.586) 1.685 19.992 ( -0.638 1.445 -0.586) 1.685 20.652 ( -0.023 -4.028 2.029) 4.510 20.652 ( -0.023 4.028 2.029) 4.510 20.694 ( 0.328 -4.531 -1.909) 4.928 20.694 ( 0.328 4.531 -1.909) 4.928 21.271 ( 0.020 -0.190 -0.608) 0.637 21.271 ( 0.020 0.190 -0.608) 0.637 21.446 ( 0.047 -0.178 0.034) 0.187 21.446 ( 0.047 0.178 0.034) 0.187 21.865 ( -0.368 -0.043 0.224) 0.433 21.865 ( -0.368 0.043 0.224) 0.433 22.036 ( 0.192 -0.633 2.837) 2.913 22.036 ( 0.192 0.633 2.837) 2.913 22.116 ( 0.393 -0.523 -3.432) 3.494 22.116 ( 0.393 0.523 -3.432) 3.494 22.400 ( -0.153 -0.434 0.286) 0.542 22.400 ( -0.153 0.434 0.286) 0.542 ======================= Grid point 117 (63/64) ======================= q-point: (-0.33 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( 2.378 -8.105 -6.445) 10.624 1.093 ( 2.378 8.105 -6.445) 10.624 1.541 ( -3.145 -4.032 3.225) 6.046 1.541 ( -3.145 4.032 3.225) 6.046 1.752 ( 4.301 -0.977 -0.151) 4.413 1.752 ( 4.301 0.977 -0.151) 4.413 1.950 ( -1.186 -4.118 6.546) 7.823 1.950 ( -1.186 4.118 6.546) 7.823 2.212 ( 1.070 -5.370 -2.506) 6.022 2.212 ( 1.070 5.370 -2.506) 6.022 2.328 ( 2.064 -2.933 -7.252) 8.091 2.328 ( 2.064 2.933 -7.252) 8.091 2.436 ( -0.940 -8.837 8.565) 12.342 2.436 ( -0.940 8.837 8.565) 12.342 2.546 ( 5.590 -5.722 3.656) 8.795 2.546 ( 5.590 5.722 3.656) 8.795 2.726 ( -0.899 -2.377 -0.052) 2.542 2.726 ( -0.899 2.377 -0.052) 2.542 2.932 ( -4.743 -7.142 1.436) 8.693 2.932 ( -4.743 7.142 1.436) 8.693 3.032 ( 0.548 -6.470 3.612) 7.430 3.032 ( 0.548 6.470 3.612) 7.430 3.102 ( 2.134 -6.546 0.865) 6.939 3.102 ( 2.134 6.546 0.865) 6.939 3.207 ( 1.170 -5.901 -0.933) 6.087 3.207 ( 1.170 5.901 -0.933) 6.087 3.380 ( -3.446 -4.965 -3.489) 6.979 3.380 ( -3.446 4.965 -3.489) 6.979 3.460 ( 0.470 -5.080 -3.453) 6.161 3.460 ( 0.470 5.080 -3.453) 6.161 3.611 ( -1.447 -2.438 -1.398) 3.161 3.611 ( -1.447 2.438 -1.398) 3.161 3.687 ( 1.194 -2.249 3.990) 4.733 3.687 ( 1.194 2.249 3.990) 4.733 3.854 ( -0.602 -1.581 6.179) 6.406 3.854 ( -0.602 1.581 6.179) 6.406 3.921 ( 0.062 -5.500 -6.242) 8.320 3.921 ( 0.062 5.500 -6.242) 8.320 4.068 ( -2.958 -2.374 -3.577) 5.214 4.068 ( -2.958 2.374 -3.577) 5.214 4.223 ( -4.931 -2.866 -3.985) 6.958 4.223 ( -4.931 2.866 -3.985) 6.958 4.342 ( -1.906 -4.445 -2.821) 5.599 4.342 ( -1.906 4.445 -2.821) 5.599 4.435 ( 0.061 -1.418 1.776) 2.274 4.435 ( 0.061 1.418 1.776) 2.274 4.622 ( 4.003 -3.991 0.782) 5.706 4.622 ( 4.003 3.991 0.782) 5.706 4.708 ( 3.259 -1.559 0.457) 3.642 4.708 ( 3.259 1.559 0.457) 3.642 4.986 ( -0.614 -5.623 -7.458) 9.360 4.986 ( -0.614 5.623 -7.458) 9.360 5.197 ( 3.399 -2.184 8.462) 9.377 5.197 ( 3.399 2.184 8.462) 9.377 5.372 ( -2.399 -5.915 -2.444) 6.835 5.372 ( -2.399 5.915 -2.444) 6.835 5.461 ( 1.540 -4.033 0.021) 4.317 5.461 ( 1.540 4.033 0.021) 4.317 5.605 ( 2.866 -4.234 2.159) 5.550 5.605 ( 2.866 4.234 2.159) 5.550 5.726 ( 0.697 -4.390 -0.170) 4.448 5.726 ( 0.697 4.390 -0.170) 4.448 5.903 ( 6.762 -4.767 -3.609) 9.026 5.903 ( 6.762 4.767 -3.609) 9.026 6.273 ( -1.169 -6.284 5.822) 8.646 6.273 ( -1.169 6.284 5.822) 8.646 6.313 ( -4.653 -3.728 -5.089) 7.838 6.313 ( -4.653 3.728 -5.089) 7.838 6.642 ( 3.709 -2.090 -0.822) 4.336 6.642 ( 3.709 2.090 -0.822) 4.336 6.701 ( 0.881 -4.460 1.020) 4.659 6.701 ( 0.881 4.460 1.020) 4.659 6.817 ( -4.854 -3.332 4.478) 7.397 6.817 ( -4.854 3.332 4.478) 7.397 6.961 ( -3.707 -2.745 -3.850) 6.008 6.961 ( -3.707 2.745 -3.850) 6.008 7.270 ( 1.139 -3.342 4.271) 5.541 7.270 ( 1.139 3.342 4.271) 5.541 7.350 ( 0.144 -2.018 0.836) 2.189 7.350 ( 0.144 2.018 0.836) 2.189 7.475 ( 3.344 -2.993 -4.322) 6.231 7.475 ( 3.344 2.993 -4.322) 6.231 7.654 ( 2.135 -3.991 2.734) 5.288 7.654 ( 2.135 3.991 2.734) 5.288 7.807 ( -2.805 -2.639 2.555) 4.622 7.807 ( -2.805 2.639 2.555) 4.622 8.003 ( 2.669 -2.969 -1.996) 4.463 8.003 ( 2.669 2.969 -1.996) 4.463 8.099 ( -3.551 -3.227 6.067) 7.735 8.099 ( -3.551 3.227 6.067) 7.735 8.345 ( 2.041 -2.816 -3.639) 5.034 8.345 ( 2.041 2.816 -3.639) 5.034 8.656 ( -1.070 -4.335 -2.796) 5.268 8.656 ( -1.070 4.335 -2.796) 5.268 8.907 ( -5.840 -5.776 -0.019) 8.214 8.907 ( -5.840 5.776 -0.019) 8.214 9.472 ( -1.633 -7.598 -4.334) 8.899 9.472 ( -1.633 7.598 -4.334) 8.899 9.938 ( -2.908 -4.879 0.279) 5.687 9.938 ( -2.908 4.879 0.279) 5.687 10.152 ( -2.817 -3.155 5.653) 7.060 10.152 ( -2.817 3.155 5.653) 7.060 10.437 ( 2.020 -6.433 -3.535) 7.613 10.437 ( 2.020 6.433 -3.535) 7.613 12.946 ( -1.109 -2.362 0.604) 2.678 12.946 ( -1.109 2.362 0.604) 2.678 13.096 ( 3.558 -1.860 -1.317) 4.225 13.096 ( 3.558 1.860 -1.317) 4.225 13.283 ( 1.588 -0.852 1.412) 2.290 13.283 ( 1.588 0.852 1.412) 2.290 13.316 ( 1.942 -1.386 -0.222) 2.396 13.316 ( 1.942 1.386 -0.222) 2.396 14.114 ( -3.382 -2.129 -0.982) 4.115 14.114 ( -3.382 2.129 -0.982) 4.115 14.335 ( 0.929 -1.296 0.863) 1.813 14.335 ( 0.929 1.296 0.863) 1.813 14.476 ( -3.934 -1.542 3.030) 5.200 14.476 ( -3.934 1.542 3.030) 5.200 14.743 ( -0.023 -1.798 -3.469) 3.908 14.743 ( -0.023 1.798 -3.469) 3.908 14.865 ( -0.228 -4.480 -0.122) 4.487 14.865 ( -0.228 4.480 -0.122) 4.487 14.960 ( -0.295 -4.154 -2.532) 4.874 14.960 ( -0.295 4.154 -2.532) 4.874 15.245 ( 3.938 -3.371 2.000) 5.556 15.245 ( 3.938 3.371 2.000) 5.556 15.498 ( 4.184 -3.014 0.666) 5.200 15.498 ( 4.184 3.014 0.666) 5.200 15.854 ( -8.445 -7.690 0.127) 11.422 15.854 ( -8.445 7.690 0.127) 11.422 16.319 ( -0.291 -3.964 0.151) 3.978 16.319 ( -0.291 3.964 0.151) 3.978 16.548 ( 1.984 -5.488 2.083) 6.196 16.548 ( 1.984 5.488 2.083) 6.196 16.992 ( 3.170 -1.880 0.939) 3.803 16.992 ( 3.170 1.880 0.939) 3.803 18.243 ( -0.018 -1.613 1.894) 2.488 18.243 ( -0.018 1.613 1.894) 2.488 18.376 ( 1.647 -0.423 -2.874) 3.339 18.376 ( 1.647 0.423 -2.874) 3.339 18.813 ( -0.746 -1.181 0.869) 1.645 18.813 ( -0.746 1.181 0.869) 1.645 18.991 ( -1.696 -0.690 0.059) 1.832 18.991 ( -1.696 0.690 0.059) 1.832 19.072 ( -2.300 -2.414 -0.272) 3.346 19.072 ( -2.300 2.414 -0.272) 3.346 19.291 ( 4.338 -4.479 0.116) 6.237 19.291 ( 4.338 4.479 0.116) 6.237 19.662 ( 1.543 -2.584 -0.616) 3.073 19.662 ( 1.543 2.584 -0.616) 3.073 19.972 ( -1.565 -0.868 0.517) 1.863 19.972 ( -1.565 0.868 0.517) 1.863 20.560 ( -4.718 -4.908 0.084) 6.808 20.560 ( -4.718 4.908 0.084) 6.808 20.787 ( 4.953 -3.528 -0.867) 6.143 20.787 ( 4.953 3.528 -0.867) 6.143 21.324 ( 4.614 -2.091 -0.306) 5.075 21.324 ( 4.614 2.091 -0.306) 5.075 21.474 ( 3.142 -1.076 -0.164) 3.325 21.474 ( 3.142 1.076 -0.164) 3.325 21.863 ( 0.076 -0.781 0.970) 1.248 21.863 ( 0.076 0.781 0.970) 1.248 22.012 ( -2.757 -0.824 1.143) 3.096 22.012 ( -2.757 0.824 1.143) 3.096 22.097 ( -1.733 -0.546 -2.873) 3.400 22.097 ( -1.733 0.546 -2.873) 3.400 22.360 ( -3.785 -0.835 0.480) 3.905 22.360 ( -3.785 0.835 0.480) 3.905 ======================= Grid point 119 (64/64) ======================= q-point: (-0.17 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( 5.199 -9.785 -0.472) 11.090 1.171 ( 5.199 9.785 -0.472) 11.090 1.550 ( 3.168 -11.618 8.223) 14.582 1.550 ( 3.168 11.618 8.223) 14.582 1.812 ( -1.545 -5.899 5.264) 8.056 1.812 ( -1.545 5.899 5.264) 8.056 1.881 ( -3.365 -5.668 5.059) 8.309 1.881 ( -3.365 5.668 5.059) 8.309 2.140 ( -3.854 -1.839 -3.440) 5.483 2.140 ( -3.854 1.839 -3.440) 5.483 2.380 ( -2.181 -1.378 -5.875) 6.416 2.380 ( -2.181 1.378 -5.875) 6.416 2.485 ( 8.138 -4.450 -5.283) 10.674 2.485 ( 8.138 4.450 -5.283) 10.674 2.614 ( 0.049 -6.241 3.817) 7.316 2.614 ( 0.049 6.241 3.817) 7.316 2.755 ( 2.411 -3.939 -5.411) 7.113 2.755 ( 2.411 3.939 -5.411) 7.113 2.879 ( -0.337 -3.883 7.943) 8.847 2.879 ( -0.337 3.883 7.943) 8.847 3.018 ( -0.921 -4.549 -1.764) 4.965 3.018 ( -0.921 4.549 -1.764) 4.965 3.146 ( -0.966 -9.291 3.365) 9.929 3.146 ( -0.966 9.291 3.365) 9.929 3.259 ( 2.267 -7.762 1.505) 8.225 3.259 ( 2.267 7.762 1.505) 8.225 3.337 ( 2.445 -2.158 0.086) 3.262 3.337 ( 2.445 2.158 0.086) 3.262 3.466 ( 0.473 -3.455 -4.430) 5.638 3.466 ( 0.473 3.455 -4.430) 5.638 3.548 ( -2.334 -3.796 1.463) 4.690 3.548 ( -2.334 3.796 1.463) 4.690 3.720 ( -0.250 -5.278 -1.614) 5.525 3.720 ( -0.250 5.278 -1.614) 5.525 3.811 ( -2.996 -8.045 6.333) 10.668 3.811 ( -2.996 8.045 6.333) 10.668 3.889 ( -2.873 -7.216 -2.890) 8.287 3.889 ( -2.873 7.216 -2.890) 8.287 4.056 ( 1.253 -3.391 -3.153) 4.797 4.056 ( 1.253 3.391 -3.153) 4.797 4.126 ( -2.580 -6.776 -3.256) 7.948 4.126 ( -2.580 6.776 -3.256) 7.948 4.309 ( -1.364 -5.862 -4.084) 7.273 4.309 ( -1.364 5.862 -4.084) 7.273 4.437 ( 0.004 -1.337 -0.098) 1.340 4.437 ( 0.004 1.337 -0.098) 1.340 4.657 ( -0.274 -1.572 -2.118) 2.652 4.657 ( -0.274 1.572 -2.118) 2.652 4.771 ( 2.936 -2.447 -0.973) 3.944 4.771 ( 2.936 2.447 -0.973) 3.944 4.973 ( 0.255 -4.068 0.479) 4.104 4.973 ( 0.255 4.068 0.479) 4.104 5.253 ( -0.014 -1.000 5.334) 5.427 5.253 ( -0.014 1.000 5.334) 5.427 5.350 ( 1.163 -3.902 -1.714) 4.418 5.350 ( 1.163 3.902 -1.714) 4.418 5.503 ( 1.938 -4.692 2.176) 5.523 5.503 ( 1.938 4.692 2.176) 5.523 5.676 ( 2.614 -4.093 0.551) 4.888 5.676 ( 2.614 4.093 0.551) 4.888 5.777 ( 4.322 -2.949 0.627) 5.269 5.777 ( 4.322 2.949 0.627) 5.269 6.020 ( 4.170 -2.198 -0.444) 4.735 6.020 ( 4.170 2.198 -0.444) 4.735 6.157 ( -5.769 -5.573 -4.822) 9.359 6.157 ( -5.769 5.573 -4.822) 9.359 6.320 ( 2.311 -4.466 4.544) 6.777 6.320 ( 2.311 4.466 4.544) 6.777 6.592 ( -8.414 -2.709 -1.495) 8.965 6.592 ( -8.414 2.709 -1.495) 8.965 6.685 ( 0.524 -1.364 -3.855) 4.123 6.685 ( 0.524 1.364 -3.855) 4.123 6.823 ( 3.230 -2.904 2.047) 4.802 6.823 ( 3.230 2.904 2.047) 4.802 6.922 ( -1.676 -0.694 -5.243) 5.548 6.922 ( -1.676 0.694 -5.243) 5.548 7.267 ( 0.834 -3.284 2.036) 3.953 7.267 ( 0.834 3.284 2.036) 3.953 7.379 ( 0.063 -1.128 2.939) 3.149 7.379 ( 0.063 1.128 2.939) 3.149 7.541 ( 4.491 -1.835 1.366) 5.040 7.541 ( 4.491 1.835 1.366) 5.040 7.684 ( -0.105 -3.326 -0.443) 3.357 7.684 ( -0.105 3.326 -0.443) 3.357 7.790 ( 0.722 -1.741 6.234) 6.512 7.790 ( 0.722 1.741 6.234) 6.512 7.996 ( -3.885 -3.824 2.710) 6.088 7.996 ( -3.885 3.824 2.710) 6.088 8.105 ( 3.561 -1.942 2.578) 4.806 8.105 ( 3.561 1.942 2.578) 4.806 8.370 ( 0.918 -3.765 -5.530) 6.753 8.370 ( 0.918 3.765 -5.530) 6.753 8.600 ( -3.618 -8.063 -1.559) 8.974 8.600 ( -3.618 8.063 -1.559) 8.974 8.754 ( -8.037 -5.965 -2.268) 10.262 8.754 ( -8.037 5.965 -2.268) 10.262 9.479 ( 3.347 -8.413 -3.721) 9.789 9.479 ( 3.347 8.413 -3.721) 9.789 9.774 ( -11.282 -9.644 3.202) 15.184 9.774 ( -11.282 9.644 3.202) 15.184 10.184 ( 3.458 -3.138 2.774) 5.431 10.184 ( 3.458 3.138 2.774) 5.431 10.447 ( -0.504 -4.314 -3.054) 5.310 10.447 ( -0.504 4.314 -3.054) 5.310 12.941 ( 0.270 -1.137 -0.502) 1.272 12.941 ( 0.270 1.137 -0.502) 1.272 13.163 ( 2.939 -1.372 -0.156) 3.247 13.163 ( 2.939 1.372 -0.156) 3.247 13.321 ( 1.714 -1.607 0.634) 2.434 13.321 ( 1.714 1.607 0.634) 2.434 13.363 ( 2.404 -0.606 1.048) 2.692 13.363 ( 2.404 0.606 1.048) 2.692 14.038 ( -3.505 -1.743 -1.503) 4.193 14.038 ( -3.505 1.743 -1.503) 4.193 14.298 ( -3.862 -2.311 1.678) 4.803 14.298 ( -3.862 2.311 1.678) 4.803 14.465 ( 1.802 -2.321 1.034) 3.115 14.465 ( 1.802 2.321 1.034) 3.115 14.701 ( -2.282 -1.856 -1.964) 3.536 14.701 ( -2.282 1.856 -1.964) 3.536 14.890 ( 1.287 -3.301 -0.930) 3.663 14.890 ( 1.287 3.301 -0.930) 3.663 14.933 ( -1.159 -5.009 -2.359) 5.657 14.933 ( -1.159 5.009 -2.359) 5.657 15.332 ( 3.456 -3.151 1.975) 5.077 15.332 ( 3.456 3.151 1.975) 5.077 15.612 ( 5.001 -3.234 0.852) 6.016 15.612 ( 5.001 3.234 0.852) 6.016 15.717 ( -2.775 -6.809 2.151) 7.661 15.717 ( -2.775 6.809 2.151) 7.661 16.188 ( -9.408 -3.983 -1.703) 10.357 16.188 ( -9.408 3.983 -1.703) 10.357 16.709 ( 10.405 -10.382 2.737) 14.951 16.709 ( 10.405 10.382 2.737) 14.951 17.018 ( -1.211 -2.848 0.229) 3.103 17.018 ( -1.211 2.848 0.229) 3.103 18.249 ( 0.296 -1.501 1.476) 2.126 18.249 ( 0.296 1.501 1.476) 2.126 18.403 ( 1.143 -1.171 -1.855) 2.474 18.403 ( 1.143 1.171 -1.855) 2.474 18.796 ( -0.814 -1.046 0.371) 1.376 18.796 ( -0.814 1.046 0.371) 1.376 18.945 ( -2.583 -1.184 0.031) 2.841 18.945 ( -2.583 1.184 0.031) 2.841 19.040 ( -0.838 -1.176 0.677) 1.595 19.040 ( -0.838 1.176 0.677) 1.595 19.374 ( 3.375 -2.621 0.213) 4.278 19.374 ( 3.375 2.621 0.213) 4.278 19.707 ( 2.976 -3.427 -0.732) 4.597 19.707 ( 2.976 3.427 -0.732) 4.597 19.924 ( -3.168 -2.021 0.532) 3.795 19.924 ( -3.168 2.021 0.532) 3.795 20.493 ( -2.027 -4.029 -0.281) 4.519 20.493 ( -2.027 4.029 -0.281) 4.519 20.871 ( 3.423 -2.016 -1.326) 4.188 20.871 ( 3.423 2.016 -1.326) 4.188 21.416 ( 4.273 -2.311 1.040) 4.968 21.416 ( 4.273 2.311 1.040) 4.968 21.576 ( 5.978 -1.974 -1.773) 6.541 21.576 ( 5.978 1.974 -1.773) 6.541 21.865 ( -0.609 -1.049 1.167) 1.683 21.865 ( -0.609 1.049 1.167) 1.683 21.936 ( -4.025 -1.055 -1.041) 4.289 21.936 ( -4.025 1.055 -1.041) 4.289 22.057 ( -1.228 -0.637 -0.584) 1.502 22.057 ( -1.228 0.637 -0.584) 1.502 22.261 ( -5.711 -1.470 0.358) 5.908 22.261 ( -5.711 1.470 0.358) 5.908 =================== 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 3/30240 10.0 250.453 137.647 228.937 0.000 73.785 0.000 3/30240 20.0 42.329 21.147 43.151 0.000 9.965 0.000 3/30240 30.0 16.832 8.777 17.812 0.000 3.594 0.000 3/30240 40.0 9.570 5.243 10.317 0.000 1.915 0.000 3/30240 50.0 6.496 3.707 7.096 0.000 1.238 0.000 3/30240 60.0 4.875 2.874 5.382 0.000 0.894 0.000 3/30240 70.0 3.896 2.357 4.337 0.000 0.693 0.000 3/30240 80.0 3.248 2.006 3.639 0.000 0.564 0.000 3/30240 90.0 2.789 1.753 3.141 0.000 0.474 0.000 3/30240 100.0 2.448 1.560 2.768 0.000 0.409 0.000 3/30240 110.0 2.185 1.408 2.477 0.000 0.360 0.000 3/30240 120.0 1.976 1.285 2.244 0.000 0.321 0.000 3/30240 130.0 1.805 1.183 2.053 0.000 0.290 0.000 3/30240 140.0 1.663 1.096 1.893 0.000 0.264 0.000 3/30240 150.0 1.544 1.023 1.757 0.000 0.243 0.000 3/30240 160.0 1.441 0.959 1.640 0.000 0.225 0.000 3/30240 170.0 1.353 0.903 1.538 0.000 0.210 0.000 3/30240 180.0 1.275 0.853 1.448 0.000 0.196 0.000 3/30240 190.0 1.206 0.809 1.369 0.000 0.184 0.000 3/30240 200.0 1.145 0.770 1.298 0.000 0.174 0.000 3/30240 210.0 1.090 0.734 1.235 0.000 0.164 0.000 3/30240 220.0 1.041 0.701 1.177 0.000 0.156 0.000 3/30240 230.0 0.996 0.672 1.125 0.000 0.149 0.000 3/30240 240.0 0.955 0.645 1.077 0.000 0.142 0.000 3/30240 250.0 0.917 0.620 1.033 0.000 0.136 0.000 3/30240 260.0 0.883 0.597 0.993 0.000 0.130 0.000 3/30240 270.0 0.851 0.575 0.956 0.000 0.125 0.000 3/30240 280.0 0.821 0.555 0.922 0.000 0.120 0.000 3/30240 290.0 0.794 0.537 0.890 0.000 0.116 0.000 3/30240 300.0 0.768 0.520 0.860 0.000 0.111 0.000 3/30240 310.0 0.744 0.504 0.832 0.000 0.108 0.000 3/30240 320.0 0.721 0.488 0.806 0.000 0.104 0.000 3/30240 330.0 0.700 0.474 0.781 0.000 0.101 0.000 3/30240 340.0 0.680 0.461 0.758 0.000 0.098 0.000 3/30240 350.0 0.661 0.448 0.737 0.000 0.095 0.000 3/30240 360.0 0.644 0.436 0.716 0.000 0.092 0.000 3/30240 370.0 0.627 0.424 0.697 0.000 0.089 0.000 3/30240 380.0 0.611 0.414 0.679 0.000 0.087 0.000 3/30240 390.0 0.596 0.403 0.661 0.000 0.084 0.000 3/30240 400.0 0.581 0.394 0.645 0.000 0.082 0.000 3/30240 410.0 0.568 0.384 0.629 0.000 0.080 0.000 3/30240 420.0 0.555 0.375 0.614 0.000 0.078 0.000 3/30240 430.0 0.542 0.367 0.600 0.000 0.076 0.000 3/30240 440.0 0.530 0.359 0.586 0.000 0.075 0.000 3/30240 450.0 0.519 0.351 0.573 0.000 0.073 0.000 3/30240 460.0 0.508 0.344 0.561 0.000 0.071 0.000 3/30240 470.0 0.497 0.336 0.549 0.000 0.070 0.000 3/30240 480.0 0.487 0.330 0.538 0.000 0.068 0.000 3/30240 490.0 0.477 0.323 0.527 0.000 0.067 0.000 3/30240 500.0 0.468 0.317 0.516 0.000 0.065 0.000 3/30240 510.0 0.459 0.311 0.506 0.000 0.064 0.000 3/30240 520.0 0.451 0.305 0.496 0.000 0.063 0.000 3/30240 530.0 0.442 0.299 0.487 0.000 0.062 0.000 3/30240 540.0 0.434 0.294 0.478 0.000 0.060 0.000 3/30240 550.0 0.427 0.289 0.469 0.000 0.059 0.000 3/30240 560.0 0.419 0.284 0.461 0.000 0.058 0.000 3/30240 570.0 0.412 0.279 0.453 0.000 0.057 0.000 3/30240 580.0 0.405 0.274 0.445 0.000 0.056 0.000 3/30240 590.0 0.398 0.269 0.438 0.000 0.055 0.000 3/30240 600.0 0.392 0.265 0.430 0.000 0.054 0.000 3/30240 610.0 0.386 0.261 0.423 0.000 0.053 0.000 3/30240 620.0 0.380 0.257 0.417 0.000 0.052 0.000 3/30240 630.0 0.374 0.253 0.410 0.000 0.052 0.000 3/30240 640.0 0.368 0.249 0.404 0.000 0.051 0.000 3/30240 650.0 0.362 0.245 0.397 0.000 0.050 0.000 3/30240 660.0 0.357 0.241 0.391 0.000 0.049 0.000 3/30240 670.0 0.352 0.238 0.386 0.000 0.048 0.000 3/30240 680.0 0.347 0.234 0.380 0.000 0.048 0.000 3/30240 690.0 0.342 0.231 0.374 0.000 0.047 0.000 3/30240 700.0 0.337 0.228 0.369 0.000 0.046 0.000 3/30240 710.0 0.332 0.225 0.364 0.000 0.046 0.000 3/30240 720.0 0.328 0.221 0.359 0.000 0.045 0.000 3/30240 730.0 0.323 0.218 0.354 0.000 0.044 0.000 3/30240 740.0 0.319 0.216 0.349 0.000 0.044 0.000 3/30240 750.0 0.315 0.213 0.345 0.000 0.043 0.000 3/30240 760.0 0.311 0.210 0.340 0.000 0.043 0.000 3/30240 770.0 0.307 0.207 0.336 0.000 0.042 0.000 3/30240 780.0 0.303 0.205 0.331 0.000 0.042 0.000 3/30240 790.0 0.299 0.202 0.327 0.000 0.041 0.000 3/30240 800.0 0.295 0.200 0.323 0.000 0.040 0.000 3/30240 810.0 0.292 0.197 0.319 0.000 0.040 0.000 3/30240 820.0 0.288 0.195 0.315 0.000 0.039 0.000 3/30240 830.0 0.285 0.192 0.311 0.000 0.039 0.000 3/30240 840.0 0.282 0.190 0.308 0.000 0.039 0.000 3/30240 850.0 0.278 0.188 0.304 0.000 0.038 0.000 3/30240 860.0 0.275 0.186 0.301 0.000 0.038 0.000 3/30240 870.0 0.272 0.184 0.297 0.000 0.037 0.000 3/30240 880.0 0.269 0.182 0.294 0.000 0.037 0.000 3/30240 890.0 0.266 0.180 0.291 0.000 0.036 0.000 3/30240 900.0 0.263 0.178 0.287 0.000 0.036 0.000 3/30240 910.0 0.260 0.176 0.284 0.000 0.036 0.000 3/30240 920.0 0.257 0.174 0.281 0.000 0.035 0.000 3/30240 930.0 0.255 0.172 0.278 0.000 0.035 0.000 3/30240 940.0 0.252 0.170 0.275 0.000 0.034 0.000 3/30240 950.0 0.249 0.168 0.272 0.000 0.034 0.000 3/30240 960.0 0.247 0.167 0.269 0.000 0.034 0.000 3/30240 970.0 0.244 0.165 0.267 0.000 0.033 0.000 3/30240 980.0 0.242 0.163 0.264 0.000 0.033 0.000 3/30240 990.0 0.239 0.162 0.261 0.000 0.033 0.000 3/30240 1000.0 0.237 0.160 0.259 0.000 0.032 0.000 3/30240 Thermal conductivity related properties were written into "kappa-m665.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:20:18]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|