----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 19:53:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [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 11.086534340010791 0.000000000000000 0.000000000000000 b 0.000000000000000 11.734221589999999 0.000000000000000 c -5.883005058291565 0.000000000000000 10.304160290944377 Atomic positions (fractional): *1 Tl 0.78796826566781 0.88507798985524 0.88583003522586 204.383 *2 Tl 0.15706229575435 0.75094626348452 0.72885062190838 204.383 *3 Tl 0.19636240253567 0.48985389721616 0.96983673126737 204.383 4 Tl 0.80363759746433 0.98985389721616 0.53016326873263 204.383 5 Tl 0.21203173433219 0.11492201014476 0.11416996477414 204.383 6 Tl 0.78796826566781 0.61492201014476 0.38583003522586 204.383 7 Tl 0.19636240253567 0.01014610278384 0.46983673126737 204.383 8 Tl 0.21203173433219 0.38507798985524 0.61416996477414 204.383 9 Tl 0.80363759746433 0.51014610278384 0.03016326873264 204.383 10 Tl 0.84293770424565 0.25094626348452 0.77114937809162 204.383 11 Tl 0.15706229575435 0.74905373651548 0.22885062190838 204.383 12 Tl 0.84293770424565 0.24905373651548 0.27114937809162 204.383 *13 Ag 0.88437698020527 0.33994929496097 0.56531880156396 107.868 *14 Ag 0.47017711540877 0.36110524762420 0.92480767922401 107.868 15 Ag 0.52982288459123 0.86110524762420 0.57519232077599 107.868 16 Ag 0.47017711540877 0.13889475237580 0.42480767922401 107.868 *17 Ag 0.46991077145569 0.13110725498340 0.05347084044939 107.868 18 Ag 0.46991077145569 0.36889274501660 0.55347084044939 107.868 19 Ag 0.53008922854431 0.86889274501660 0.94652915955061 107.868 20 Ag 0.53008922854431 0.63110725498340 0.44652915955061 107.868 21 Ag 0.11562301979473 0.66005070503903 0.43468119843604 107.868 22 Ag 0.52982288459123 0.63889475237580 0.07519232077599 107.868 23 Ag 0.88437698020527 0.16005070503903 0.06531880156396 107.868 24 Ag 0.11562301979473 0.83994929496097 0.93468119843604 107.868 *25 Sb 0.82625081710200 0.58220938487283 0.73915961411454 121.760 26 Sb 0.82625081710200 0.91779061512717 0.23915961411454 121.760 *27 Sb 0.49493798755062 0.14654384145102 0.75266172166254 121.760 28 Sb 0.50506201244938 0.85345615854898 0.24733827833746 121.760 29 Sb 0.17374918289800 0.41779061512717 0.26084038588546 121.760 30 Sb 0.17374918289800 0.08220938487283 0.76084038588546 121.760 31 Sb 0.49493798755062 0.35345615854898 0.25266172166254 121.760 32 Sb 0.50506201244938 0.64654384145102 0.74733827833746 121.760 *33 S 0.73743774055544 0.74849581058401 0.10147743674852 32.065 *34 S 0.40871831612056 0.83898423382458 0.70666351089743 32.065 *35 S 0.00083236806000 0.47343624764037 0.32220083023067 32.065 36 S 0.99916763194000 0.52656375235963 0.67779916976933 32.065 37 S 0.99916763194000 0.97343624764037 0.17779916976933 32.065 *38 S 0.35658410511506 0.57942703018147 0.52259761050954 32.065 *39 S 0.62946267141491 0.42876083506053 0.15614998218035 32.065 40 S 0.64341589488494 0.07942703018147 0.97740238949046 32.065 41 S 0.59128168387944 0.16101576617542 0.29333648910257 32.065 *42 S 0.99406057478925 0.67352857267483 0.94957013862326 32.065 43 S 0.35658410511506 0.92057296981853 0.02259761050954 32.065 44 S 0.26256225944456 0.25150418941599 0.89852256325148 32.065 45 S 0.64341589488494 0.42057296981853 0.47740238949046 32.065 46 S 0.00083236806000 0.02656375235963 0.82220083023067 32.065 47 S 0.73743774055544 0.75150418941599 0.60147743674852 32.065 48 S 0.26256225944456 0.24849581058401 0.39852256325148 32.065 49 S 0.37053732858509 0.92876083506053 0.34385001781966 32.065 50 S 0.37053732858509 0.57123916493947 0.84385001781965 32.065 51 S 0.59128168387944 0.33898423382458 0.79333648910257 32.065 52 S 0.00593942521075 0.32647142732517 0.05042986137674 32.065 53 S 0.40871831612056 0.66101576617542 0.20666351089743 32.065 54 S 0.00593942521075 0.17352857267483 0.55042986137674 32.065 55 S 0.62946267141491 0.07123916493947 0.65614998218035 32.065 56 S 0.99406057478925 0.82647142732517 0.44957013862326 32.065 -------------------------------- unit cell --------------------------------- Lattice vectors: a 11.086534340010791 0.000000000000000 0.000000000000000 b 0.000000000000000 11.734221589999999 0.000000000000000 c -5.883005058291565 0.000000000000000 10.304160290944377 Atomic positions (fractional): *1 Tl 0.78796826566781 0.88507798985524 0.88583003522586 204.383 > 1 *2 Tl 0.15706229575435 0.75094626348452 0.72885062190838 204.383 > 2 *3 Tl 0.19636240253567 0.48985389721616 0.96983673126737 204.383 > 3 4 Tl 0.80363759746433 0.98985389721616 0.53016326873263 204.383 > 4 5 Tl 0.21203173433219 0.11492201014476 0.11416996477414 204.383 > 5 6 Tl 0.78796826566781 0.61492201014476 0.38583003522586 204.383 > 6 7 Tl 0.19636240253567 0.01014610278384 0.46983673126737 204.383 > 7 8 Tl 0.21203173433219 0.38507798985524 0.61416996477414 204.383 > 8 9 Tl 0.80363759746433 0.51014610278384 0.03016326873264 204.383 > 9 10 Tl 0.84293770424565 0.25094626348452 0.77114937809162 204.383 > 10 11 Tl 0.15706229575435 0.74905373651548 0.22885062190838 204.383 > 11 12 Tl 0.84293770424565 0.24905373651548 0.27114937809162 204.383 > 12 *13 Ag 0.88437698020527 0.33994929496097 0.56531880156396 107.868 > 13 *14 Ag 0.47017711540877 0.36110524762420 0.92480767922401 107.868 > 14 15 Ag 0.52982288459123 0.86110524762420 0.57519232077599 107.868 > 15 16 Ag 0.47017711540877 0.13889475237580 0.42480767922401 107.868 > 16 *17 Ag 0.46991077145569 0.13110725498340 0.05347084044939 107.868 > 17 18 Ag 0.46991077145569 0.36889274501660 0.55347084044939 107.868 > 18 19 Ag 0.53008922854431 0.86889274501660 0.94652915955061 107.868 > 19 20 Ag 0.53008922854431 0.63110725498340 0.44652915955061 107.868 > 20 21 Ag 0.11562301979473 0.66005070503903 0.43468119843604 107.868 > 21 22 Ag 0.52982288459123 0.63889475237580 0.07519232077599 107.868 > 22 23 Ag 0.88437698020527 0.16005070503903 0.06531880156396 107.868 > 23 24 Ag 0.11562301979473 0.83994929496097 0.93468119843604 107.868 > 24 *25 Sb 0.82625081710200 0.58220938487283 0.73915961411454 121.760 > 25 26 Sb 0.82625081710200 0.91779061512717 0.23915961411454 121.760 > 26 *27 Sb 0.49493798755062 0.14654384145102 0.75266172166254 121.760 > 27 28 Sb 0.50506201244938 0.85345615854898 0.24733827833746 121.760 > 28 29 Sb 0.17374918289800 0.41779061512717 0.26084038588546 121.760 > 29 30 Sb 0.17374918289800 0.08220938487283 0.76084038588546 121.760 > 30 31 Sb 0.49493798755062 0.35345615854898 0.25266172166254 121.760 > 31 32 Sb 0.50506201244938 0.64654384145102 0.74733827833746 121.760 > 32 *33 S 0.73743774055544 0.74849581058401 0.10147743674852 32.065 > 33 *34 S 0.40871831612056 0.83898423382458 0.70666351089743 32.065 > 34 *35 S 0.00083236806000 0.47343624764037 0.32220083023067 32.065 > 35 36 S 0.99916763194000 0.52656375235963 0.67779916976933 32.065 > 36 37 S 0.99916763194000 0.97343624764037 0.17779916976933 32.065 > 37 *38 S 0.35658410511506 0.57942703018147 0.52259761050954 32.065 > 38 *39 S 0.62946267141491 0.42876083506053 0.15614998218035 32.065 > 39 40 S 0.64341589488494 0.07942703018147 0.97740238949046 32.065 > 40 41 S 0.59128168387944 0.16101576617542 0.29333648910257 32.065 > 41 *42 S 0.99406057478925 0.67352857267483 0.94957013862326 32.065 > 42 43 S 0.35658410511506 0.92057296981853 0.02259761050954 32.065 > 43 44 S 0.26256225944456 0.25150418941599 0.89852256325148 32.065 > 44 45 S 0.64341589488494 0.42057296981853 0.47740238949046 32.065 > 45 46 S 0.00083236806000 0.02656375235963 0.82220083023067 32.065 > 46 47 S 0.73743774055544 0.75150418941599 0.60147743674852 32.065 > 47 48 S 0.26256225944456 0.24849581058401 0.39852256325148 32.065 > 48 49 S 0.37053732858509 0.92876083506053 0.34385001781966 32.065 > 49 50 S 0.37053732858509 0.57123916493947 0.84385001781965 32.065 > 50 51 S 0.59128168387944 0.33898423382458 0.79333648910257 32.065 > 51 52 S 0.00593942521075 0.32647142732517 0.05042986137674 32.065 > 52 53 S 0.40871831612056 0.66101576617542 0.20666351089743 32.065 > 53 54 S 0.00593942521075 0.17352857267483 0.55042986137674 32.065 > 54 55 S 0.62946267141491 0.07123916493947 0.65614998218035 32.065 > 55 56 S 0.99406057478925 0.82647142732517 0.44957013862326 32.065 > 56 -------------------------------- super cell -------------------------------- Lattice vectors: a 22.173068680021583 0.000000000000000 0.000000000000000 b 0.000000000000000 11.734221589999999 0.000000000000000 c -5.883005058291565 0.000000000000000 10.304160290944377 Atomic positions (fractional): *1 Tl 0.39398413283390 0.88507798985524 0.88583003522586 204.383 > 1 2 Tl 0.89398413283390 0.88507798985524 0.88583003522586 204.383 > 1 *3 Tl 0.07853114787717 0.75094626348452 0.72885062190838 204.383 > 2 4 Tl 0.57853114787717 0.75094626348452 0.72885062190838 204.383 > 2 *5 Tl 0.09818120126783 0.48985389721616 0.96983673126737 204.383 > 3 6 Tl 0.59818120126783 0.48985389721616 0.96983673126737 204.383 > 3 7 Tl 0.40181879873217 0.98985389721616 0.53016326873263 204.383 > 4 8 Tl 0.90181879873217 0.98985389721616 0.53016326873263 204.383 > 4 9 Tl 0.10601586716610 0.11492201014476 0.11416996477414 204.383 > 5 10 Tl 0.60601586716610 0.11492201014476 0.11416996477414 204.383 > 5 11 Tl 0.39398413283390 0.61492201014476 0.38583003522586 204.383 > 6 12 Tl 0.89398413283390 0.61492201014476 0.38583003522586 204.383 > 6 13 Tl 0.09818120126783 0.01014610278384 0.46983673126737 204.383 > 7 14 Tl 0.59818120126783 0.01014610278384 0.46983673126737 204.383 > 7 15 Tl 0.10601586716610 0.38507798985524 0.61416996477414 204.383 > 8 16 Tl 0.60601586716610 0.38507798985524 0.61416996477414 204.383 > 8 17 Tl 0.40181879873217 0.51014610278384 0.03016326873264 204.383 > 9 18 Tl 0.90181879873217 0.51014610278384 0.03016326873264 204.383 > 9 19 Tl 0.42146885212283 0.25094626348452 0.77114937809162 204.383 > 10 20 Tl 0.92146885212283 0.25094626348452 0.77114937809162 204.383 > 10 21 Tl 0.07853114787717 0.74905373651548 0.22885062190838 204.383 > 11 22 Tl 0.57853114787717 0.74905373651548 0.22885062190838 204.383 > 11 23 Tl 0.42146885212283 0.24905373651548 0.27114937809162 204.383 > 12 24 Tl 0.92146885212283 0.24905373651548 0.27114937809162 204.383 > 12 *25 Ag 0.44218849010264 0.33994929496097 0.56531880156396 107.868 > 13 26 Ag 0.94218849010264 0.33994929496097 0.56531880156396 107.868 > 13 *27 Ag 0.23508855770438 0.36110524762420 0.92480767922401 107.868 > 14 28 Ag 0.73508855770438 0.36110524762420 0.92480767922401 107.868 > 14 29 Ag 0.26491144229562 0.86110524762420 0.57519232077599 107.868 > 15 30 Ag 0.76491144229562 0.86110524762420 0.57519232077599 107.868 > 15 31 Ag 0.23508855770438 0.13889475237580 0.42480767922401 107.868 > 16 32 Ag 0.73508855770438 0.13889475237580 0.42480767922401 107.868 > 16 *33 Ag 0.23495538572785 0.13110725498340 0.05347084044939 107.868 > 17 34 Ag 0.73495538572785 0.13110725498340 0.05347084044939 107.868 > 17 35 Ag 0.23495538572785 0.36889274501660 0.55347084044939 107.868 > 18 36 Ag 0.73495538572785 0.36889274501660 0.55347084044939 107.868 > 18 37 Ag 0.26504461427215 0.86889274501660 0.94652915955061 107.868 > 19 38 Ag 0.76504461427215 0.86889274501660 0.94652915955061 107.868 > 19 39 Ag 0.26504461427215 0.63110725498340 0.44652915955061 107.868 > 20 40 Ag 0.76504461427215 0.63110725498340 0.44652915955061 107.868 > 20 41 Ag 0.05781150989736 0.66005070503903 0.43468119843604 107.868 > 21 42 Ag 0.55781150989736 0.66005070503903 0.43468119843604 107.868 > 21 43 Ag 0.26491144229562 0.63889475237580 0.07519232077599 107.868 > 22 44 Ag 0.76491144229562 0.63889475237580 0.07519232077599 107.868 > 22 45 Ag 0.44218849010264 0.16005070503903 0.06531880156396 107.868 > 23 46 Ag 0.94218849010264 0.16005070503903 0.06531880156396 107.868 > 23 47 Ag 0.05781150989736 0.83994929496097 0.93468119843604 107.868 > 24 48 Ag 0.55781150989736 0.83994929496097 0.93468119843604 107.868 > 24 *49 Sb 0.41312540855100 0.58220938487283 0.73915961411454 121.760 > 25 50 Sb 0.91312540855100 0.58220938487283 0.73915961411454 121.760 > 25 51 Sb 0.41312540855100 0.91779061512717 0.23915961411454 121.760 > 26 52 Sb 0.91312540855100 0.91779061512717 0.23915961411454 121.760 > 26 *53 Sb 0.24746899377531 0.14654384145102 0.75266172166254 121.760 > 27 54 Sb 0.74746899377531 0.14654384145102 0.75266172166254 121.760 > 27 55 Sb 0.25253100622469 0.85345615854898 0.24733827833746 121.760 > 28 56 Sb 0.75253100622469 0.85345615854898 0.24733827833746 121.760 > 28 57 Sb 0.08687459144900 0.41779061512717 0.26084038588546 121.760 > 29 58 Sb 0.58687459144900 0.41779061512717 0.26084038588546 121.760 > 29 59 Sb 0.08687459144900 0.08220938487283 0.76084038588546 121.760 > 30 60 Sb 0.58687459144900 0.08220938487283 0.76084038588546 121.760 > 30 61 Sb 0.24746899377531 0.35345615854898 0.25266172166254 121.760 > 31 62 Sb 0.74746899377531 0.35345615854898 0.25266172166254 121.760 > 31 63 Sb 0.25253100622469 0.64654384145102 0.74733827833746 121.760 > 32 64 Sb 0.75253100622469 0.64654384145102 0.74733827833746 121.760 > 32 *65 S 0.36871887027772 0.74849581058401 0.10147743674852 32.065 > 33 66 S 0.86871887027772 0.74849581058401 0.10147743674852 32.065 > 33 *67 S 0.20435915806028 0.83898423382458 0.70666351089743 32.065 > 34 68 S 0.70435915806028 0.83898423382458 0.70666351089743 32.065 > 34 *69 S 0.00041618403000 0.47343624764037 0.32220083023067 32.065 > 35 70 S 0.50041618403000 0.47343624764037 0.32220083023067 32.065 > 35 71 S 0.49958381597000 0.52656375235963 0.67779916976933 32.065 > 36 72 S 0.99958381597000 0.52656375235963 0.67779916976933 32.065 > 36 73 S 0.49958381597000 0.97343624764037 0.17779916976933 32.065 > 37 74 S 0.99958381597000 0.97343624764037 0.17779916976933 32.065 > 37 *75 S 0.17829205255753 0.57942703018147 0.52259761050954 32.065 > 38 76 S 0.67829205255753 0.57942703018147 0.52259761050954 32.065 > 38 *77 S 0.31473133570746 0.42876083506053 0.15614998218035 32.065 > 39 78 S 0.81473133570746 0.42876083506053 0.15614998218035 32.065 > 39 79 S 0.32170794744247 0.07942703018147 0.97740238949046 32.065 > 40 80 S 0.82170794744247 0.07942703018147 0.97740238949046 32.065 > 40 81 S 0.29564084193972 0.16101576617542 0.29333648910257 32.065 > 41 82 S 0.79564084193972 0.16101576617542 0.29333648910257 32.065 > 41 *83 S 0.49703028739462 0.67352857267483 0.94957013862326 32.065 > 42 84 S 0.99703028739462 0.67352857267483 0.94957013862326 32.065 > 42 85 S 0.17829205255753 0.92057296981853 0.02259761050954 32.065 > 43 86 S 0.67829205255753 0.92057296981853 0.02259761050954 32.065 > 43 87 S 0.13128112972228 0.25150418941599 0.89852256325148 32.065 > 44 88 S 0.63128112972228 0.25150418941599 0.89852256325148 32.065 > 44 89 S 0.32170794744247 0.42057296981853 0.47740238949046 32.065 > 45 90 S 0.82170794744247 0.42057296981853 0.47740238949046 32.065 > 45 91 S 0.00041618403000 0.02656375235963 0.82220083023067 32.065 > 46 92 S 0.50041618403000 0.02656375235963 0.82220083023067 32.065 > 46 93 S 0.36871887027772 0.75150418941599 0.60147743674852 32.065 > 47 94 S 0.86871887027772 0.75150418941599 0.60147743674852 32.065 > 47 95 S 0.13128112972228 0.24849581058401 0.39852256325148 32.065 > 48 96 S 0.63128112972228 0.24849581058401 0.39852256325148 32.065 > 48 97 S 0.18526866429254 0.92876083506053 0.34385001781966 32.065 > 49 98 S 0.68526866429254 0.92876083506053 0.34385001781966 32.065 > 49 99 S 0.18526866429254 0.57123916493947 0.84385001781965 32.065 > 50 100 S 0.68526866429254 0.57123916493947 0.84385001781965 32.065 > 50 101 S 0.29564084193972 0.33898423382458 0.79333648910257 32.065 > 51 102 S 0.79564084193972 0.33898423382458 0.79333648910257 32.065 > 51 103 S 0.00296971260538 0.32647142732517 0.05042986137674 32.065 > 52 104 S 0.50296971260538 0.32647142732517 0.05042986137674 32.065 > 52 105 S 0.20435915806028 0.66101576617542 0.20666351089743 32.065 > 53 106 S 0.70435915806028 0.66101576617542 0.20666351089743 32.065 > 53 107 S 0.00296971260538 0.17352857267483 0.55042986137674 32.065 > 54 108 S 0.50296971260538 0.17352857267483 0.55042986137674 32.065 > 54 109 S 0.31473133570746 0.07123916493947 0.65614998218035 32.065 > 55 110 S 0.81473133570746 0.07123916493947 0.65614998218035 32.065 > 55 111 S 0.49703028739462 0.82647142732517 0.44957013862326 32.065 > 56 112 S 0.99703028739462 0.82647142732517 0.44957013862326 32.065 > 56 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.7718112 0.0000000 -0.2017058 0.0000000 10.7545187 0.0000000 -0.2017087 0.0000000 11.2903873 -------------------------- Born effective charges -------------------------- 1 Tl 2.3930181 -0.4300563 -0.2070054 -0.3189364 2.0856599 -0.1971278 -0.2863137 0.0149855 2.3989713 2 Tl 2.4354244 0.2796321 0.3754546 0.0139174 2.0660344 -0.3847159 0.4386072 -0.3305242 1.8457026 3 Tl 2.2806714 -0.2627716 0.1103027 -0.3171106 2.2721547 -0.0607915 -0.0566369 -0.2081779 2.1539095 4 Tl 2.2806714 0.2627716 0.1103027 0.3171106 2.2721547 0.0607915 -0.0566369 0.2081779 2.1539095 5 Tl 2.3930181 -0.4300563 -0.2070054 -0.3189364 2.0856599 -0.1971278 -0.2863137 0.0149855 2.3989713 6 Tl 2.3930181 0.4300563 -0.2070054 0.3189364 2.0856599 0.1971278 -0.2863137 -0.0149855 2.3989713 7 Tl 2.2806714 0.2627716 0.1103027 0.3171106 2.2721547 0.0607915 -0.0566369 0.2081779 2.1539095 8 Tl 2.3930181 0.4300563 -0.2070054 0.3189364 2.0856599 0.1971278 -0.2863137 -0.0149855 2.3989713 9 Tl 2.2806714 -0.2627716 0.1103027 -0.3171106 2.2721547 -0.0607915 -0.0566369 -0.2081779 2.1539095 10 Tl 2.4354244 -0.2796321 0.3754546 -0.0139174 2.0660344 0.3847159 0.4386072 0.3305242 1.8457026 11 Tl 2.4354244 -0.2796321 0.3754546 -0.0139174 2.0660344 0.3847159 0.4386072 0.3305242 1.8457026 12 Tl 2.4354244 0.2796321 0.3754546 0.0139174 2.0660344 -0.3847159 0.4386072 -0.3305242 1.8457026 13 Ag 0.7670918 -0.1282484 0.3133351 -0.0491151 1.2211532 0.2175465 0.4210196 0.1882427 0.5000981 14 Ag 0.7651936 0.2176933 0.0292366 -0.0677846 1.1285413 -0.0460061 -0.0629643 -0.1625926 1.0204875 15 Ag 0.7651936 -0.2176933 0.0292366 0.0677846 1.1285413 0.0460061 -0.0629643 0.1625926 1.0204875 16 Ag 0.7651936 -0.2176933 0.0292366 0.0677846 1.1285413 0.0460061 -0.0629643 0.1625926 1.0204875 17 Ag 0.8453625 -0.0384913 -0.0953201 0.0496696 0.9011703 0.1278961 0.0563989 -0.2940733 0.6629901 18 Ag 0.8453625 0.0384913 -0.0953201 -0.0496696 0.9011703 -0.1278961 0.0563989 0.2940733 0.6629901 19 Ag 0.8453625 -0.0384913 -0.0953201 0.0496696 0.9011703 0.1278961 0.0563989 -0.2940733 0.6629901 20 Ag 0.8453625 0.0384913 -0.0953201 -0.0496696 0.9011703 -0.1278961 0.0563989 0.2940733 0.6629901 21 Ag 0.7670918 -0.1282484 0.3133351 -0.0491151 1.2211532 0.2175465 0.4210196 0.1882427 0.5000981 22 Ag 0.7651936 0.2176933 0.0292366 -0.0677846 1.1285413 -0.0460061 -0.0629643 -0.1625926 1.0204875 23 Ag 0.7670918 0.1282484 0.3133351 0.0491151 1.2211532 -0.2175465 0.4210196 -0.1882427 0.5000981 24 Ag 0.7670918 0.1282484 0.3133351 0.0491151 1.2211532 -0.2175465 0.4210196 -0.1882427 0.5000981 25 Sb 2.7191804 -0.8408401 0.7004571 -0.8049962 2.0998725 0.6268559 0.2180035 0.1069830 3.5204440 26 Sb 2.7191804 0.8408401 0.7004571 0.8049962 2.0998725 -0.6268559 0.2180035 -0.1069830 3.5204440 27 Sb 1.7857434 -0.5634341 -0.7268233 -0.0673723 3.2667123 -0.2982361 -1.0673427 -0.5108037 3.0027367 28 Sb 1.7857434 -0.5634341 -0.7268233 -0.0673723 3.2667123 -0.2982361 -1.0673427 -0.5108037 3.0027367 29 Sb 2.7191804 -0.8408401 0.7004571 -0.8049962 2.0998725 0.6268559 0.2180035 0.1069830 3.5204440 30 Sb 2.7191804 0.8408401 0.7004571 0.8049962 2.0998725 -0.6268559 0.2180035 -0.1069830 3.5204440 31 Sb 1.7857434 0.5634341 -0.7268233 0.0673723 3.2667123 0.2982361 -1.0673427 0.5108037 3.0027367 32 Sb 1.7857434 0.5634341 -0.7268233 0.0673723 3.2667123 0.2982361 -1.0673427 0.5108037 3.0027367 33 S -1.4513054 -0.7157780 -0.2187642 -0.0531059 -2.4813326 -0.3441853 0.2111475 -0.6075029 -2.2145297 34 S -2.1651338 -0.1125770 0.1075216 0.4044859 -2.9292023 0.4112309 0.0846321 0.0651933 -1.4685303 35 S -3.1699687 -0.1981137 -0.0783489 0.6998477 -2.2735293 -0.2484520 0.1777664 -0.1277548 -2.7079266 36 S -3.1699687 -0.1981137 -0.0783489 0.6998477 -2.2735293 -0.2484520 0.1777664 -0.1277548 -2.7079266 37 S -3.1699687 0.1981137 -0.0783489 -0.6998477 -2.2735293 0.2484520 0.1777664 0.1277548 -2.7079266 38 S -1.8961867 -0.1359587 0.0465931 -0.3021020 -1.9958548 -0.5620776 -0.3404530 -0.5173295 -3.4135846 39 S -3.0369253 -0.1873292 0.1413772 -0.2162432 -2.5735956 0.4137541 0.7807950 0.4565152 -2.2692908 40 S -1.8961867 0.1359587 0.0465931 0.3021020 -1.9958548 0.5620776 -0.3404530 0.5173295 -3.4135846 41 S -2.1651338 -0.1125770 0.1075216 0.4044859 -2.9292023 0.4112309 0.0846321 0.0651933 -1.4685303 42 S -2.2721656 0.2683911 -0.4980160 0.3256027 -2.7877839 -0.4774159 -0.5746596 -0.7652526 -3.0314778 43 S -1.8961867 0.1359587 0.0465931 0.3021020 -1.9958548 0.5620776 -0.3404530 0.5173295 -3.4135846 44 S -1.4513054 -0.7157780 -0.2187642 -0.0531059 -2.4813326 -0.3441853 0.2111475 -0.6075029 -2.2145297 45 S -1.8961867 -0.1359587 0.0465931 -0.3021020 -1.9958548 -0.5620776 -0.3404530 -0.5173295 -3.4135846 46 S -3.1699687 0.1981137 -0.0783489 -0.6998477 -2.2735293 0.2484520 0.1777664 0.1277548 -2.7079266 47 S -1.4513054 0.7157780 -0.2187642 0.0531059 -2.4813326 0.3441853 0.2111475 0.6075029 -2.2145297 48 S -1.4513054 0.7157780 -0.2187642 0.0531059 -2.4813326 0.3441853 0.2111475 0.6075029 -2.2145297 49 S -3.0369253 0.1873292 0.1413772 0.2162432 -2.5735956 -0.4137541 0.7807950 -0.4565152 -2.2692908 50 S -3.0369253 -0.1873292 0.1413772 -0.2162432 -2.5735956 0.4137541 0.7807950 0.4565152 -2.2692908 51 S -2.1651338 0.1125770 0.1075216 -0.4044859 -2.9292023 -0.4112309 0.0846321 -0.0651933 -1.4685303 52 S -2.2721656 0.2683911 -0.4980160 0.3256027 -2.7877839 -0.4774159 -0.5746596 -0.7652526 -3.0314778 53 S -2.1651338 0.1125770 0.1075216 -0.4044859 -2.9292023 -0.4112309 0.0846321 -0.0651933 -1.4685303 54 S -2.2721656 -0.2683911 -0.4980160 -0.3256027 -2.7877839 0.4774159 -0.5746596 0.7652526 -3.0314778 55 S -3.0369253 0.1873292 0.1413772 0.2162432 -2.5735956 -0.4137541 0.7807950 -0.4565152 -2.2692908 56 S -2.2721656 -0.2683911 -0.4980160 -0.3256027 -2.7877839 0.4774159 -0.5746596 0.7652526 -3.0314778 ---------------------------------------------------------------------------- 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) 223 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 473 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 233 eigenvectors found. (2) Block: 500 / 568 (2) 237 eigenvectors found. (2) Block: 568 / 568 (2) 63 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 551 eigenvectors found. (1) Complementary block size: 67 (1) Compute compressed projector. (1) Use standard solver. (1) 40 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 47 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 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: 1568 / 1568 (2) Block: 250 / 568 (2) 224 eigenvectors found. (2) Block: 500 / 568 (2) 226 eigenvectors found. (2) Block: 568 / 568 (2) 54 eigenvectors found. (2) Complementary block size: 64 (2) Compute compressed projector. (2) Use standard solver. (2) 38 eigenvectors found. (1) 542 eigenvectors found. (1) Complementary block size: 82 (1) Compute compressed projector. (1) Use standard solver. (1) 54 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 47 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 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: 1568 / 1568 (2) Block: 250 / 568 (2) 224 eigenvectors found. (2) Block: 500 / 568 (2) 226 eigenvectors found. (2) Block: 568 / 568 (2) 54 eigenvectors found. (2) Complementary block size: 64 (2) Compute compressed projector. (2) Use standard solver. (2) 38 eigenvectors found. (1) 542 eigenvectors found. (1) Complementary block size: 82 (1) Compute compressed projector. (1) Use standard solver. (1) 54 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, 1540), data: False |-- (1568, 54), data: (1568, 82) @ (82, 54) |-- (568, 542), data: False |-- (568, 38), data: (568, 64) @ (64, 38) |-- (68, 54), data: True |-- (250, 226), data: True |-- (250, 224), data: True |-- (500, 472), data: False |-- (500, 26), data: (500, 54) @ (54, 26) |-- (250, 224), data: True |-- (250, 222), data: True |-- (500, 472), data: False |-- (500, 19), data: (500, 47) @ (47, 19) |-- (250, 231), data: True |-- (250, 222), data: True |-- (1568, 1540), data: False |-- (1568, 54), data: (1568, 82) @ (82, 54) |-- (568, 542), data: False |-- (568, 38), data: (568, 64) @ (64, 38) |-- (68, 54), data: True |-- (250, 226), data: True |-- (250, 224), data: True |-- (500, 472), data: False |-- (500, 26), data: (500, 54) @ (54, 26) |-- (250, 224), data: True |-- (250, 222), data: True |-- (500, 472), data: False |-- (500, 19), data: (500, 47) @ (47, 19) |-- (250, 231), data: True |-- (250, 222), data: True |-- (1568, 1541), data: False |-- (1568, 40), data: (1568, 67) @ (67, 40) |-- (568, 551), data: False |-- (568, 18), data: (568, 35) @ (35, 18) |-- (68, 63), data: True |-- (250, 237), data: True |-- (250, 233), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (500, 473), data: False |-- (500, 25), data: (500, 52) @ (52, 25) |-- (250, 225), data: True |-- (250, 223), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 1680 - Time: 1.837 Solver_block: 200 / 1680 - Time: 1.577 Solver_block: 300 / 1680 - Time: 1.582 Solver_block: 400 / 1680 - Time: 1.584 Solver_block: 500 / 1680 - Time: 1.584 Solver_block: 600 / 1680 - Time: 1.580 Solver_block: 700 / 1680 - Time: 1.593 Solver_block: 800 / 1680 - Time: 1.581 Solver_block: 900 / 1680 - Time: 1.589 Solver_block: 1000 / 1680 - Time: 1.582 Solver_block: 1100 / 1680 - Time: 1.579 Solver_block: 1200 / 1680 - Time: 1.584 Solver_block: 1300 / 1680 - Time: 1.582 Solver_block: 1400 / 1680 - Time: 1.584 Solver_block: 1500 / 1680 - Time: 1.582 Solver_block: 1600 / 1680 - Time: 1.579 Solver_block: 1680 / 1680 - Time: 1.322 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 27.733 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) 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) 223 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 473 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 233 eigenvectors found. (2) Block: 500 / 568 (2) 237 eigenvectors found. (2) Block: 568 / 568 (2) 63 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 551 eigenvectors found. (1) Complementary block size: 67 (1) Compute compressed projector. (1) Use standard solver. (1) 40 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 47 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 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: 1568 / 1568 (2) Block: 250 / 568 (2) 224 eigenvectors found. (2) Block: 500 / 568 (2) 226 eigenvectors found. (2) Block: 568 / 568 (2) 54 eigenvectors found. (2) Complementary block size: 64 (2) Compute compressed projector. (2) Use standard solver. (2) 38 eigenvectors found. (1) 542 eigenvectors found. (1) Complementary block size: 82 (1) Compute compressed projector. (1) Use standard solver. (1) 54 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 47 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 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: 1568 / 1568 (2) Block: 250 / 568 (2) 224 eigenvectors found. (2) Block: 500 / 568 (2) 226 eigenvectors found. (2) Block: 568 / 568 (2) 54 eigenvectors found. (2) Complementary block size: 64 (2) Compute compressed projector. (2) Use standard solver. (2) 38 eigenvectors found. (1) 542 eigenvectors found. (1) Complementary block size: 82 (1) Compute compressed projector. (1) Use standard solver. (1) 54 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, 1540), data: False |-- (1568, 54), data: (1568, 82) @ (82, 54) |-- (568, 542), data: False |-- (568, 38), data: (568, 64) @ (64, 38) |-- (68, 54), data: True |-- (250, 226), data: True |-- (250, 224), data: True |-- (500, 472), data: False |-- (500, 26), data: (500, 54) @ (54, 26) |-- (250, 224), data: True |-- (250, 222), data: True |-- (500, 472), data: False |-- (500, 19), data: (500, 47) @ (47, 19) |-- (250, 231), data: True |-- (250, 222), data: True |-- (1568, 1540), data: False |-- (1568, 54), data: (1568, 82) @ (82, 54) |-- (568, 542), data: False |-- (568, 38), data: (568, 64) @ (64, 38) |-- (68, 54), data: True |-- (250, 226), data: True |-- (250, 224), data: True |-- (500, 472), data: False |-- (500, 26), data: (500, 54) @ (54, 26) |-- (250, 224), data: True |-- (250, 222), data: True |-- (500, 472), data: False |-- (500, 19), data: (500, 47) @ (47, 19) |-- (250, 231), data: True |-- (250, 222), data: True |-- (1568, 1541), data: False |-- (1568, 40), data: (1568, 67) @ (67, 40) |-- (568, 551), data: False |-- (568, 18), data: (568, 35) @ (35, 18) |-- (68, 63), data: True |-- (250, 237), data: True |-- (250, 233), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (500, 473), data: False |-- (500, 25), data: (500, 52) @ (52, 25) |-- (250, 225), data: True |-- (250, 223), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 19:55:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 19:55:29]------------------------- 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 11.086534340010791 0.000000000000000 0.000000000000000 b 0.000000000000000 11.734221589999999 0.000000000000000 c -5.883005058291565 0.000000000000000 10.304160290944377 Atomic positions (fractional): 1 Tl 0.78796826566781 0.88507798985524 0.88583003522586 204.383 2 Tl 0.15706229575435 0.75094626348452 0.72885062190838 204.383 3 Tl 0.19636240253567 0.48985389721616 0.96983673126737 204.383 4 Tl 0.80363759746433 0.98985389721616 0.53016326873263 204.383 5 Tl 0.21203173433219 0.11492201014476 0.11416996477414 204.383 6 Tl 0.78796826566781 0.61492201014476 0.38583003522586 204.383 7 Tl 0.19636240253567 0.01014610278384 0.46983673126737 204.383 8 Tl 0.21203173433219 0.38507798985524 0.61416996477414 204.383 9 Tl 0.80363759746433 0.51014610278384 0.03016326873264 204.383 10 Tl 0.84293770424565 0.25094626348452 0.77114937809162 204.383 11 Tl 0.15706229575435 0.74905373651548 0.22885062190838 204.383 12 Tl 0.84293770424565 0.24905373651548 0.27114937809162 204.383 13 Ag 0.88437698020527 0.33994929496097 0.56531880156396 107.868 14 Ag 0.47017711540877 0.36110524762420 0.92480767922401 107.868 15 Ag 0.52982288459123 0.86110524762420 0.57519232077599 107.868 16 Ag 0.47017711540877 0.13889475237580 0.42480767922401 107.868 17 Ag 0.46991077145569 0.13110725498340 0.05347084044939 107.868 18 Ag 0.46991077145569 0.36889274501660 0.55347084044939 107.868 19 Ag 0.53008922854431 0.86889274501660 0.94652915955061 107.868 20 Ag 0.53008922854431 0.63110725498340 0.44652915955061 107.868 21 Ag 0.11562301979473 0.66005070503903 0.43468119843604 107.868 22 Ag 0.52982288459123 0.63889475237580 0.07519232077599 107.868 23 Ag 0.88437698020527 0.16005070503903 0.06531880156396 107.868 24 Ag 0.11562301979473 0.83994929496097 0.93468119843604 107.868 25 Sb 0.82625081710200 0.58220938487283 0.73915961411454 121.760 26 Sb 0.82625081710200 0.91779061512717 0.23915961411454 121.760 27 Sb 0.49493798755062 0.14654384145102 0.75266172166254 121.760 28 Sb 0.50506201244938 0.85345615854898 0.24733827833746 121.760 29 Sb 0.17374918289800 0.41779061512717 0.26084038588546 121.760 30 Sb 0.17374918289800 0.08220938487283 0.76084038588546 121.760 31 Sb 0.49493798755062 0.35345615854898 0.25266172166254 121.760 32 Sb 0.50506201244938 0.64654384145102 0.74733827833746 121.760 33 S 0.73743774055544 0.74849581058401 0.10147743674852 32.065 34 S 0.40871831612056 0.83898423382458 0.70666351089743 32.065 35 S 0.00083236806000 0.47343624764037 0.32220083023067 32.065 36 S 0.99916763194000 0.52656375235963 0.67779916976933 32.065 37 S 0.99916763194000 0.97343624764037 0.17779916976933 32.065 38 S 0.35658410511506 0.57942703018147 0.52259761050954 32.065 39 S 0.62946267141491 0.42876083506053 0.15614998218035 32.065 40 S 0.64341589488494 0.07942703018147 0.97740238949046 32.065 41 S 0.59128168387944 0.16101576617542 0.29333648910257 32.065 42 S 0.99406057478925 0.67352857267483 0.94957013862326 32.065 43 S 0.35658410511506 0.92057296981853 0.02259761050954 32.065 44 S 0.26256225944456 0.25150418941599 0.89852256325148 32.065 45 S 0.64341589488494 0.42057296981853 0.47740238949046 32.065 46 S 0.00083236806000 0.02656375235963 0.82220083023067 32.065 47 S 0.73743774055544 0.75150418941599 0.60147743674852 32.065 48 S 0.26256225944456 0.24849581058401 0.39852256325148 32.065 49 S 0.37053732858509 0.92876083506053 0.34385001781966 32.065 50 S 0.37053732858509 0.57123916493947 0.84385001781965 32.065 51 S 0.59128168387944 0.33898423382458 0.79333648910257 32.065 52 S 0.00593942521075 0.32647142732517 0.05042986137674 32.065 53 S 0.40871831612056 0.66101576617542 0.20666351089743 32.065 54 S 0.00593942521075 0.17352857267483 0.55042986137674 32.065 55 S 0.62946267141491 0.07123916493947 0.65614998218035 32.065 56 S 0.99406057478925 0.82647142732517 0.44957013862326 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 22.173068680021583 0.000000000000000 0.000000000000000 b 0.000000000000000 11.734221589999999 0.000000000000000 c -5.883005058291565 0.000000000000000 10.304160290944377 Atomic positions (fractional): 1 Tl 0.39398413283390 0.88507798985524 0.88583003522586 204.383 > 1 2 Tl 0.89398413283390 0.88507798985524 0.88583003522586 204.383 > 1 3 Tl 0.07853114787717 0.75094626348452 0.72885062190838 204.383 > 3 4 Tl 0.57853114787717 0.75094626348452 0.72885062190838 204.383 > 3 5 Tl 0.09818120126783 0.48985389721616 0.96983673126737 204.383 > 5 6 Tl 0.59818120126783 0.48985389721616 0.96983673126737 204.383 > 5 7 Tl 0.40181879873217 0.98985389721616 0.53016326873263 204.383 > 7 8 Tl 0.90181879873217 0.98985389721616 0.53016326873263 204.383 > 7 9 Tl 0.10601586716610 0.11492201014476 0.11416996477414 204.383 > 9 10 Tl 0.60601586716610 0.11492201014476 0.11416996477414 204.383 > 9 11 Tl 0.39398413283390 0.61492201014476 0.38583003522586 204.383 > 11 12 Tl 0.89398413283390 0.61492201014476 0.38583003522586 204.383 > 11 13 Tl 0.09818120126783 0.01014610278384 0.46983673126737 204.383 > 13 14 Tl 0.59818120126783 0.01014610278384 0.46983673126737 204.383 > 13 15 Tl 0.10601586716610 0.38507798985524 0.61416996477414 204.383 > 15 16 Tl 0.60601586716610 0.38507798985524 0.61416996477414 204.383 > 15 17 Tl 0.40181879873217 0.51014610278384 0.03016326873264 204.383 > 17 18 Tl 0.90181879873217 0.51014610278384 0.03016326873264 204.383 > 17 19 Tl 0.42146885212283 0.25094626348452 0.77114937809162 204.383 > 19 20 Tl 0.92146885212283 0.25094626348452 0.77114937809162 204.383 > 19 21 Tl 0.07853114787717 0.74905373651548 0.22885062190838 204.383 > 21 22 Tl 0.57853114787717 0.74905373651548 0.22885062190838 204.383 > 21 23 Tl 0.42146885212283 0.24905373651548 0.27114937809162 204.383 > 23 24 Tl 0.92146885212283 0.24905373651548 0.27114937809162 204.383 > 23 25 Ag 0.44218849010264 0.33994929496097 0.56531880156396 107.868 > 25 26 Ag 0.94218849010264 0.33994929496097 0.56531880156396 107.868 > 25 27 Ag 0.23508855770438 0.36110524762420 0.92480767922401 107.868 > 27 28 Ag 0.73508855770438 0.36110524762420 0.92480767922401 107.868 > 27 29 Ag 0.26491144229562 0.86110524762420 0.57519232077599 107.868 > 29 30 Ag 0.76491144229562 0.86110524762420 0.57519232077599 107.868 > 29 31 Ag 0.23508855770438 0.13889475237580 0.42480767922401 107.868 > 31 32 Ag 0.73508855770438 0.13889475237580 0.42480767922401 107.868 > 31 33 Ag 0.23495538572785 0.13110725498340 0.05347084044939 107.868 > 33 34 Ag 0.73495538572785 0.13110725498340 0.05347084044939 107.868 > 33 35 Ag 0.23495538572785 0.36889274501660 0.55347084044939 107.868 > 35 36 Ag 0.73495538572785 0.36889274501660 0.55347084044939 107.868 > 35 37 Ag 0.26504461427215 0.86889274501660 0.94652915955061 107.868 > 37 38 Ag 0.76504461427215 0.86889274501660 0.94652915955061 107.868 > 37 39 Ag 0.26504461427215 0.63110725498340 0.44652915955061 107.868 > 39 40 Ag 0.76504461427215 0.63110725498340 0.44652915955061 107.868 > 39 41 Ag 0.05781150989736 0.66005070503903 0.43468119843604 107.868 > 41 42 Ag 0.55781150989736 0.66005070503903 0.43468119843604 107.868 > 41 43 Ag 0.26491144229562 0.63889475237580 0.07519232077599 107.868 > 43 44 Ag 0.76491144229562 0.63889475237580 0.07519232077599 107.868 > 43 45 Ag 0.44218849010264 0.16005070503903 0.06531880156396 107.868 > 45 46 Ag 0.94218849010264 0.16005070503903 0.06531880156396 107.868 > 45 47 Ag 0.05781150989736 0.83994929496097 0.93468119843604 107.868 > 47 48 Ag 0.55781150989736 0.83994929496097 0.93468119843604 107.868 > 47 49 Sb 0.41312540855100 0.58220938487283 0.73915961411454 121.760 > 49 50 Sb 0.91312540855100 0.58220938487283 0.73915961411454 121.760 > 49 51 Sb 0.41312540855100 0.91779061512717 0.23915961411454 121.760 > 51 52 Sb 0.91312540855100 0.91779061512717 0.23915961411454 121.760 > 51 53 Sb 0.24746899377531 0.14654384145102 0.75266172166254 121.760 > 53 54 Sb 0.74746899377531 0.14654384145102 0.75266172166254 121.760 > 53 55 Sb 0.25253100622469 0.85345615854898 0.24733827833746 121.760 > 55 56 Sb 0.75253100622469 0.85345615854898 0.24733827833746 121.760 > 55 57 Sb 0.08687459144900 0.41779061512717 0.26084038588546 121.760 > 57 58 Sb 0.58687459144900 0.41779061512717 0.26084038588546 121.760 > 57 59 Sb 0.08687459144900 0.08220938487283 0.76084038588546 121.760 > 59 60 Sb 0.58687459144900 0.08220938487283 0.76084038588546 121.760 > 59 61 Sb 0.24746899377531 0.35345615854898 0.25266172166254 121.760 > 61 62 Sb 0.74746899377531 0.35345615854898 0.25266172166254 121.760 > 61 63 Sb 0.25253100622469 0.64654384145102 0.74733827833746 121.760 > 63 64 Sb 0.75253100622469 0.64654384145102 0.74733827833746 121.760 > 63 65 S 0.36871887027772 0.74849581058401 0.10147743674852 32.065 > 65 66 S 0.86871887027772 0.74849581058401 0.10147743674852 32.065 > 65 67 S 0.20435915806028 0.83898423382458 0.70666351089743 32.065 > 67 68 S 0.70435915806028 0.83898423382458 0.70666351089743 32.065 > 67 69 S 0.00041618403000 0.47343624764037 0.32220083023067 32.065 > 69 70 S 0.50041618403000 0.47343624764037 0.32220083023067 32.065 > 69 71 S 0.49958381597000 0.52656375235963 0.67779916976933 32.065 > 71 72 S 0.99958381597000 0.52656375235963 0.67779916976933 32.065 > 71 73 S 0.49958381597000 0.97343624764037 0.17779916976933 32.065 > 73 74 S 0.99958381597000 0.97343624764037 0.17779916976933 32.065 > 73 75 S 0.17829205255753 0.57942703018147 0.52259761050954 32.065 > 75 76 S 0.67829205255753 0.57942703018147 0.52259761050954 32.065 > 75 77 S 0.31473133570746 0.42876083506053 0.15614998218035 32.065 > 77 78 S 0.81473133570746 0.42876083506053 0.15614998218035 32.065 > 77 79 S 0.32170794744247 0.07942703018147 0.97740238949046 32.065 > 79 80 S 0.82170794744247 0.07942703018147 0.97740238949046 32.065 > 79 81 S 0.29564084193972 0.16101576617542 0.29333648910257 32.065 > 81 82 S 0.79564084193972 0.16101576617542 0.29333648910257 32.065 > 81 83 S 0.49703028739462 0.67352857267483 0.94957013862326 32.065 > 83 84 S 0.99703028739462 0.67352857267483 0.94957013862326 32.065 > 83 85 S 0.17829205255753 0.92057296981853 0.02259761050954 32.065 > 85 86 S 0.67829205255753 0.92057296981853 0.02259761050954 32.065 > 85 87 S 0.13128112972228 0.25150418941599 0.89852256325148 32.065 > 87 88 S 0.63128112972228 0.25150418941599 0.89852256325148 32.065 > 87 89 S 0.32170794744247 0.42057296981853 0.47740238949046 32.065 > 89 90 S 0.82170794744247 0.42057296981853 0.47740238949046 32.065 > 89 91 S 0.00041618403000 0.02656375235963 0.82220083023067 32.065 > 91 92 S 0.50041618403000 0.02656375235963 0.82220083023067 32.065 > 91 93 S 0.36871887027772 0.75150418941599 0.60147743674852 32.065 > 93 94 S 0.86871887027772 0.75150418941599 0.60147743674852 32.065 > 93 95 S 0.13128112972228 0.24849581058401 0.39852256325148 32.065 > 95 96 S 0.63128112972228 0.24849581058401 0.39852256325148 32.065 > 95 97 S 0.18526866429254 0.92876083506053 0.34385001781966 32.065 > 97 98 S 0.68526866429254 0.92876083506053 0.34385001781966 32.065 > 97 99 S 0.18526866429254 0.57123916493947 0.84385001781965 32.065 > 99 100 S 0.68526866429254 0.57123916493947 0.84385001781965 32.065 > 99 101 S 0.29564084193972 0.33898423382458 0.79333648910257 32.065 > 101 102 S 0.79564084193972 0.33898423382458 0.79333648910257 32.065 > 101 103 S 0.00296971260538 0.32647142732517 0.05042986137674 32.065 > 103 104 S 0.50296971260538 0.32647142732517 0.05042986137674 32.065 > 103 105 S 0.20435915806028 0.66101576617542 0.20666351089743 32.065 > 105 106 S 0.70435915806028 0.66101576617542 0.20666351089743 32.065 > 105 107 S 0.00296971260538 0.17352857267483 0.55042986137674 32.065 > 107 108 S 0.50296971260538 0.17352857267483 0.55042986137674 32.065 > 107 109 S 0.31473133570746 0.07123916493947 0.65614998218035 32.065 > 109 110 S 0.81473133570746 0.07123916493947 0.65614998218035 32.065 > 109 111 S 0.49703028739462 0.82647142732517 0.44957013862326 32.065 > 111 112 S 0.99703028739462 0.82647142732517 0.44957013862326 32.065 > 111 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.7718112 0.0000000 -0.2017058 0.0000000 10.7545187 0.0000000 -0.2017087 0.0000000 11.2903873 -------------------------- Born effective charges -------------------------- 1 Tl 2.3930181 -0.4300563 -0.2070054 -0.3189364 2.0856599 -0.1971278 -0.2863137 0.0149855 2.3989713 2 Tl 2.4354244 0.2796321 0.3754546 0.0139174 2.0660344 -0.3847159 0.4386072 -0.3305242 1.8457026 3 Tl 2.2806714 -0.2627716 0.1103027 -0.3171106 2.2721547 -0.0607915 -0.0566369 -0.2081779 2.1539095 4 Tl 2.2806714 0.2627716 0.1103027 0.3171106 2.2721547 0.0607915 -0.0566369 0.2081779 2.1539095 5 Tl 2.3930181 -0.4300563 -0.2070054 -0.3189364 2.0856599 -0.1971278 -0.2863137 0.0149855 2.3989713 6 Tl 2.3930181 0.4300563 -0.2070054 0.3189364 2.0856599 0.1971278 -0.2863137 -0.0149855 2.3989713 7 Tl 2.2806714 0.2627716 0.1103027 0.3171106 2.2721547 0.0607915 -0.0566369 0.2081779 2.1539095 8 Tl 2.3930181 0.4300563 -0.2070054 0.3189364 2.0856599 0.1971278 -0.2863137 -0.0149855 2.3989713 9 Tl 2.2806714 -0.2627716 0.1103027 -0.3171106 2.2721547 -0.0607915 -0.0566369 -0.2081779 2.1539095 10 Tl 2.4354244 -0.2796321 0.3754546 -0.0139174 2.0660344 0.3847159 0.4386072 0.3305242 1.8457026 11 Tl 2.4354244 -0.2796321 0.3754546 -0.0139174 2.0660344 0.3847159 0.4386072 0.3305242 1.8457026 12 Tl 2.4354244 0.2796321 0.3754546 0.0139174 2.0660344 -0.3847159 0.4386072 -0.3305242 1.8457026 13 Ag 0.7670918 -0.1282484 0.3133351 -0.0491151 1.2211532 0.2175465 0.4210196 0.1882427 0.5000981 14 Ag 0.7651936 0.2176933 0.0292366 -0.0677846 1.1285413 -0.0460061 -0.0629643 -0.1625926 1.0204875 15 Ag 0.7651936 -0.2176933 0.0292366 0.0677846 1.1285413 0.0460061 -0.0629643 0.1625926 1.0204875 16 Ag 0.7651936 -0.2176933 0.0292366 0.0677846 1.1285413 0.0460061 -0.0629643 0.1625926 1.0204875 17 Ag 0.8453625 -0.0384913 -0.0953201 0.0496696 0.9011703 0.1278961 0.0563989 -0.2940733 0.6629901 18 Ag 0.8453625 0.0384913 -0.0953201 -0.0496696 0.9011703 -0.1278961 0.0563989 0.2940733 0.6629901 19 Ag 0.8453625 -0.0384913 -0.0953201 0.0496696 0.9011703 0.1278961 0.0563989 -0.2940733 0.6629901 20 Ag 0.8453625 0.0384913 -0.0953201 -0.0496696 0.9011703 -0.1278961 0.0563989 0.2940733 0.6629901 21 Ag 0.7670918 -0.1282484 0.3133351 -0.0491151 1.2211532 0.2175465 0.4210196 0.1882427 0.5000981 22 Ag 0.7651936 0.2176933 0.0292366 -0.0677846 1.1285413 -0.0460061 -0.0629643 -0.1625926 1.0204875 23 Ag 0.7670918 0.1282484 0.3133351 0.0491151 1.2211532 -0.2175465 0.4210196 -0.1882427 0.5000981 24 Ag 0.7670918 0.1282484 0.3133351 0.0491151 1.2211532 -0.2175465 0.4210196 -0.1882427 0.5000981 25 Sb 2.7191804 -0.8408401 0.7004571 -0.8049962 2.0998725 0.6268559 0.2180035 0.1069830 3.5204440 26 Sb 2.7191804 0.8408401 0.7004571 0.8049962 2.0998725 -0.6268559 0.2180035 -0.1069830 3.5204440 27 Sb 1.7857434 -0.5634341 -0.7268233 -0.0673723 3.2667123 -0.2982361 -1.0673427 -0.5108037 3.0027367 28 Sb 1.7857434 -0.5634341 -0.7268233 -0.0673723 3.2667123 -0.2982361 -1.0673427 -0.5108037 3.0027367 29 Sb 2.7191804 -0.8408401 0.7004571 -0.8049962 2.0998725 0.6268559 0.2180035 0.1069830 3.5204440 30 Sb 2.7191804 0.8408401 0.7004571 0.8049962 2.0998725 -0.6268559 0.2180035 -0.1069830 3.5204440 31 Sb 1.7857434 0.5634341 -0.7268233 0.0673723 3.2667123 0.2982361 -1.0673427 0.5108037 3.0027367 32 Sb 1.7857434 0.5634341 -0.7268233 0.0673723 3.2667123 0.2982361 -1.0673427 0.5108037 3.0027367 33 S -1.4513054 -0.7157780 -0.2187642 -0.0531059 -2.4813326 -0.3441853 0.2111475 -0.6075029 -2.2145297 34 S -2.1651338 -0.1125770 0.1075216 0.4044859 -2.9292023 0.4112309 0.0846321 0.0651933 -1.4685303 35 S -3.1699687 -0.1981137 -0.0783489 0.6998477 -2.2735293 -0.2484520 0.1777664 -0.1277548 -2.7079266 36 S -3.1699687 -0.1981137 -0.0783489 0.6998477 -2.2735293 -0.2484520 0.1777664 -0.1277548 -2.7079266 37 S -3.1699687 0.1981137 -0.0783489 -0.6998477 -2.2735293 0.2484520 0.1777664 0.1277548 -2.7079266 38 S -1.8961867 -0.1359587 0.0465931 -0.3021020 -1.9958548 -0.5620776 -0.3404530 -0.5173295 -3.4135846 39 S -3.0369253 -0.1873292 0.1413772 -0.2162432 -2.5735956 0.4137541 0.7807950 0.4565152 -2.2692908 40 S -1.8961867 0.1359587 0.0465931 0.3021020 -1.9958548 0.5620776 -0.3404530 0.5173295 -3.4135846 41 S -2.1651338 -0.1125770 0.1075216 0.4044859 -2.9292023 0.4112309 0.0846321 0.0651933 -1.4685303 42 S -2.2721656 0.2683911 -0.4980160 0.3256027 -2.7877839 -0.4774159 -0.5746596 -0.7652526 -3.0314778 43 S -1.8961867 0.1359587 0.0465931 0.3021020 -1.9958548 0.5620776 -0.3404530 0.5173295 -3.4135846 44 S -1.4513054 -0.7157780 -0.2187642 -0.0531059 -2.4813326 -0.3441853 0.2111475 -0.6075029 -2.2145297 45 S -1.8961867 -0.1359587 0.0465931 -0.3021020 -1.9958548 -0.5620776 -0.3404530 -0.5173295 -3.4135846 46 S -3.1699687 0.1981137 -0.0783489 -0.6998477 -2.2735293 0.2484520 0.1777664 0.1277548 -2.7079266 47 S -1.4513054 0.7157780 -0.2187642 0.0531059 -2.4813326 0.3441853 0.2111475 0.6075029 -2.2145297 48 S -1.4513054 0.7157780 -0.2187642 0.0531059 -2.4813326 0.3441853 0.2111475 0.6075029 -2.2145297 49 S -3.0369253 0.1873292 0.1413772 0.2162432 -2.5735956 -0.4137541 0.7807950 -0.4565152 -2.2692908 50 S -3.0369253 -0.1873292 0.1413772 -0.2162432 -2.5735956 0.4137541 0.7807950 0.4565152 -2.2692908 51 S -2.1651338 0.1125770 0.1075216 -0.4044859 -2.9292023 -0.4112309 0.0846321 -0.0651933 -1.4685303 52 S -2.2721656 0.2683911 -0.4980160 0.3256027 -2.7877839 -0.4774159 -0.5746596 -0.7652526 -3.0314778 53 S -2.1651338 0.1125770 0.1075216 -0.4044859 -2.9292023 -0.4112309 0.0846321 -0.0651933 -1.4685303 54 S -2.2721656 -0.2683911 -0.4980160 -0.3256027 -2.7877839 0.4774159 -0.5746596 0.7652526 -3.0314778 55 S -3.0369253 0.1873292 0.1413772 0.2162432 -2.5735956 -0.4137541 0.7807950 -0.4565152 -2.2692908 56 S -2.2721656 -0.2683911 -0.4980160 -0.3256027 -2.7877839 0.4774159 -0.5746596 0.7652526 -3.0314778 ---------------------------------------------------------------------------- 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] [-0.0050 0.0000 0.0087] [ 0.0050 0.0000 -0.0087] Computing fc3[ 3, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0050 0.0000 0.0087] [ 0.0050 0.0000 -0.0087] Computing fc3[ 5, 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] [-0.0050 0.0000 0.0087] [ 0.0050 0.0000 -0.0087] 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] [-0.0050 0.0000 0.0087] [ 0.0050 0.0000 -0.0087] Computing fc3[ 27, 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] [-0.0050 0.0000 0.0087] [ 0.0050 0.0000 -0.0087] 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] [-0.0050 0.0000 0.0087] [ 0.0050 0.0000 -0.0087] 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] [-0.0050 0.0000 0.0087] [ 0.0050 0.0000 -0.0087] Computing fc3[ 53, 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] [-0.0050 0.0000 0.0087] [ 0.0050 0.0000 -0.0087] 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] [-0.0050 0.0000 0.0087] [ 0.0050 0.0000 -0.0087] Computing fc3[ 67, 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] [-0.0050 0.0000 0.0087] [ 0.0050 0.0000 -0.0087] Computing fc3[ 69, 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] [-0.0050 0.0000 0.0087] [ 0.0050 0.0000 -0.0087] Computing fc3[ 75, 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] [-0.0050 0.0000 0.0087] [ 0.0050 0.0000 -0.0087] Computing fc3[ 77, 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] [-0.0050 0.0000 0.0087] [ 0.0050 0.0000 -0.0087] Computing fc3[ 83, 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] [-0.0050 0.0000 0.0087] [ 0.0050 0.0000 -0.0087] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yx) -0.00000000 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 19:56:33]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 19:56:34]------------------------- 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 11.086534340010791 0.000000000000000 0.000000000000000 b 0.000000000000000 11.734221589999999 0.000000000000000 c -5.883005058291565 0.000000000000000 10.304160290944377 Atomic positions (fractional): 1 Tl 0.78796826566781 0.88507798985524 0.88583003522586 204.383 2 Tl 0.15706229575435 0.75094626348452 0.72885062190838 204.383 3 Tl 0.19636240253567 0.48985389721616 0.96983673126737 204.383 4 Tl 0.80363759746433 0.98985389721616 0.53016326873263 204.383 5 Tl 0.21203173433219 0.11492201014476 0.11416996477414 204.383 6 Tl 0.78796826566781 0.61492201014476 0.38583003522586 204.383 7 Tl 0.19636240253567 0.01014610278384 0.46983673126737 204.383 8 Tl 0.21203173433219 0.38507798985524 0.61416996477414 204.383 9 Tl 0.80363759746433 0.51014610278384 0.03016326873264 204.383 10 Tl 0.84293770424565 0.25094626348452 0.77114937809162 204.383 11 Tl 0.15706229575435 0.74905373651548 0.22885062190838 204.383 12 Tl 0.84293770424565 0.24905373651548 0.27114937809162 204.383 13 Ag 0.88437698020527 0.33994929496097 0.56531880156396 107.868 14 Ag 0.47017711540877 0.36110524762420 0.92480767922401 107.868 15 Ag 0.52982288459123 0.86110524762420 0.57519232077599 107.868 16 Ag 0.47017711540877 0.13889475237580 0.42480767922401 107.868 17 Ag 0.46991077145569 0.13110725498340 0.05347084044939 107.868 18 Ag 0.46991077145569 0.36889274501660 0.55347084044939 107.868 19 Ag 0.53008922854431 0.86889274501660 0.94652915955061 107.868 20 Ag 0.53008922854431 0.63110725498340 0.44652915955061 107.868 21 Ag 0.11562301979473 0.66005070503903 0.43468119843604 107.868 22 Ag 0.52982288459123 0.63889475237580 0.07519232077599 107.868 23 Ag 0.88437698020527 0.16005070503903 0.06531880156396 107.868 24 Ag 0.11562301979473 0.83994929496097 0.93468119843604 107.868 25 Sb 0.82625081710200 0.58220938487283 0.73915961411454 121.760 26 Sb 0.82625081710200 0.91779061512717 0.23915961411454 121.760 27 Sb 0.49493798755062 0.14654384145102 0.75266172166254 121.760 28 Sb 0.50506201244938 0.85345615854898 0.24733827833746 121.760 29 Sb 0.17374918289800 0.41779061512717 0.26084038588546 121.760 30 Sb 0.17374918289800 0.08220938487283 0.76084038588546 121.760 31 Sb 0.49493798755062 0.35345615854898 0.25266172166254 121.760 32 Sb 0.50506201244938 0.64654384145102 0.74733827833746 121.760 33 S 0.73743774055544 0.74849581058401 0.10147743674852 32.065 34 S 0.40871831612056 0.83898423382458 0.70666351089743 32.065 35 S 0.00083236806000 0.47343624764037 0.32220083023067 32.065 36 S 0.99916763194000 0.52656375235963 0.67779916976933 32.065 37 S 0.99916763194000 0.97343624764037 0.17779916976933 32.065 38 S 0.35658410511506 0.57942703018147 0.52259761050954 32.065 39 S 0.62946267141491 0.42876083506053 0.15614998218035 32.065 40 S 0.64341589488494 0.07942703018147 0.97740238949046 32.065 41 S 0.59128168387944 0.16101576617542 0.29333648910257 32.065 42 S 0.99406057478925 0.67352857267483 0.94957013862326 32.065 43 S 0.35658410511506 0.92057296981853 0.02259761050954 32.065 44 S 0.26256225944456 0.25150418941599 0.89852256325148 32.065 45 S 0.64341589488494 0.42057296981853 0.47740238949046 32.065 46 S 0.00083236806000 0.02656375235963 0.82220083023067 32.065 47 S 0.73743774055544 0.75150418941599 0.60147743674852 32.065 48 S 0.26256225944456 0.24849581058401 0.39852256325148 32.065 49 S 0.37053732858509 0.92876083506053 0.34385001781966 32.065 50 S 0.37053732858509 0.57123916493947 0.84385001781965 32.065 51 S 0.59128168387944 0.33898423382458 0.79333648910257 32.065 52 S 0.00593942521075 0.32647142732517 0.05042986137674 32.065 53 S 0.40871831612056 0.66101576617542 0.20666351089743 32.065 54 S 0.00593942521075 0.17352857267483 0.55042986137674 32.065 55 S 0.62946267141491 0.07123916493947 0.65614998218035 32.065 56 S 0.99406057478925 0.82647142732517 0.44957013862326 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 22.173068680021583 0.000000000000000 0.000000000000000 b 0.000000000000000 11.734221589999999 0.000000000000000 c -5.883005058291565 0.000000000000000 10.304160290944377 Atomic positions (fractional): 1 Tl 0.39398413283390 0.88507798985524 0.88583003522586 204.383 > 1 2 Tl 0.89398413283390 0.88507798985524 0.88583003522586 204.383 > 1 3 Tl 0.07853114787717 0.75094626348452 0.72885062190838 204.383 > 3 4 Tl 0.57853114787717 0.75094626348452 0.72885062190838 204.383 > 3 5 Tl 0.09818120126783 0.48985389721616 0.96983673126737 204.383 > 5 6 Tl 0.59818120126783 0.48985389721616 0.96983673126737 204.383 > 5 7 Tl 0.40181879873217 0.98985389721616 0.53016326873263 204.383 > 7 8 Tl 0.90181879873217 0.98985389721616 0.53016326873263 204.383 > 7 9 Tl 0.10601586716610 0.11492201014476 0.11416996477414 204.383 > 9 10 Tl 0.60601586716610 0.11492201014476 0.11416996477414 204.383 > 9 11 Tl 0.39398413283390 0.61492201014476 0.38583003522586 204.383 > 11 12 Tl 0.89398413283390 0.61492201014476 0.38583003522586 204.383 > 11 13 Tl 0.09818120126783 0.01014610278384 0.46983673126737 204.383 > 13 14 Tl 0.59818120126783 0.01014610278384 0.46983673126737 204.383 > 13 15 Tl 0.10601586716610 0.38507798985524 0.61416996477414 204.383 > 15 16 Tl 0.60601586716610 0.38507798985524 0.61416996477414 204.383 > 15 17 Tl 0.40181879873217 0.51014610278384 0.03016326873264 204.383 > 17 18 Tl 0.90181879873217 0.51014610278384 0.03016326873264 204.383 > 17 19 Tl 0.42146885212283 0.25094626348452 0.77114937809162 204.383 > 19 20 Tl 0.92146885212283 0.25094626348452 0.77114937809162 204.383 > 19 21 Tl 0.07853114787717 0.74905373651548 0.22885062190838 204.383 > 21 22 Tl 0.57853114787717 0.74905373651548 0.22885062190838 204.383 > 21 23 Tl 0.42146885212283 0.24905373651548 0.27114937809162 204.383 > 23 24 Tl 0.92146885212283 0.24905373651548 0.27114937809162 204.383 > 23 25 Ag 0.44218849010264 0.33994929496097 0.56531880156396 107.868 > 25 26 Ag 0.94218849010264 0.33994929496097 0.56531880156396 107.868 > 25 27 Ag 0.23508855770438 0.36110524762420 0.92480767922401 107.868 > 27 28 Ag 0.73508855770438 0.36110524762420 0.92480767922401 107.868 > 27 29 Ag 0.26491144229562 0.86110524762420 0.57519232077599 107.868 > 29 30 Ag 0.76491144229562 0.86110524762420 0.57519232077599 107.868 > 29 31 Ag 0.23508855770438 0.13889475237580 0.42480767922401 107.868 > 31 32 Ag 0.73508855770438 0.13889475237580 0.42480767922401 107.868 > 31 33 Ag 0.23495538572785 0.13110725498340 0.05347084044939 107.868 > 33 34 Ag 0.73495538572785 0.13110725498340 0.05347084044939 107.868 > 33 35 Ag 0.23495538572785 0.36889274501660 0.55347084044939 107.868 > 35 36 Ag 0.73495538572785 0.36889274501660 0.55347084044939 107.868 > 35 37 Ag 0.26504461427215 0.86889274501660 0.94652915955061 107.868 > 37 38 Ag 0.76504461427215 0.86889274501660 0.94652915955061 107.868 > 37 39 Ag 0.26504461427215 0.63110725498340 0.44652915955061 107.868 > 39 40 Ag 0.76504461427215 0.63110725498340 0.44652915955061 107.868 > 39 41 Ag 0.05781150989736 0.66005070503903 0.43468119843604 107.868 > 41 42 Ag 0.55781150989736 0.66005070503903 0.43468119843604 107.868 > 41 43 Ag 0.26491144229562 0.63889475237580 0.07519232077599 107.868 > 43 44 Ag 0.76491144229562 0.63889475237580 0.07519232077599 107.868 > 43 45 Ag 0.44218849010264 0.16005070503903 0.06531880156396 107.868 > 45 46 Ag 0.94218849010264 0.16005070503903 0.06531880156396 107.868 > 45 47 Ag 0.05781150989736 0.83994929496097 0.93468119843604 107.868 > 47 48 Ag 0.55781150989736 0.83994929496097 0.93468119843604 107.868 > 47 49 Sb 0.41312540855100 0.58220938487283 0.73915961411454 121.760 > 49 50 Sb 0.91312540855100 0.58220938487283 0.73915961411454 121.760 > 49 51 Sb 0.41312540855100 0.91779061512717 0.23915961411454 121.760 > 51 52 Sb 0.91312540855100 0.91779061512717 0.23915961411454 121.760 > 51 53 Sb 0.24746899377531 0.14654384145102 0.75266172166254 121.760 > 53 54 Sb 0.74746899377531 0.14654384145102 0.75266172166254 121.760 > 53 55 Sb 0.25253100622469 0.85345615854898 0.24733827833746 121.760 > 55 56 Sb 0.75253100622469 0.85345615854898 0.24733827833746 121.760 > 55 57 Sb 0.08687459144900 0.41779061512717 0.26084038588546 121.760 > 57 58 Sb 0.58687459144900 0.41779061512717 0.26084038588546 121.760 > 57 59 Sb 0.08687459144900 0.08220938487283 0.76084038588546 121.760 > 59 60 Sb 0.58687459144900 0.08220938487283 0.76084038588546 121.760 > 59 61 Sb 0.24746899377531 0.35345615854898 0.25266172166254 121.760 > 61 62 Sb 0.74746899377531 0.35345615854898 0.25266172166254 121.760 > 61 63 Sb 0.25253100622469 0.64654384145102 0.74733827833746 121.760 > 63 64 Sb 0.75253100622469 0.64654384145102 0.74733827833746 121.760 > 63 65 S 0.36871887027772 0.74849581058401 0.10147743674852 32.065 > 65 66 S 0.86871887027772 0.74849581058401 0.10147743674852 32.065 > 65 67 S 0.20435915806028 0.83898423382458 0.70666351089743 32.065 > 67 68 S 0.70435915806028 0.83898423382458 0.70666351089743 32.065 > 67 69 S 0.00041618403000 0.47343624764037 0.32220083023067 32.065 > 69 70 S 0.50041618403000 0.47343624764037 0.32220083023067 32.065 > 69 71 S 0.49958381597000 0.52656375235963 0.67779916976933 32.065 > 71 72 S 0.99958381597000 0.52656375235963 0.67779916976933 32.065 > 71 73 S 0.49958381597000 0.97343624764037 0.17779916976933 32.065 > 73 74 S 0.99958381597000 0.97343624764037 0.17779916976933 32.065 > 73 75 S 0.17829205255753 0.57942703018147 0.52259761050954 32.065 > 75 76 S 0.67829205255753 0.57942703018147 0.52259761050954 32.065 > 75 77 S 0.31473133570746 0.42876083506053 0.15614998218035 32.065 > 77 78 S 0.81473133570746 0.42876083506053 0.15614998218035 32.065 > 77 79 S 0.32170794744247 0.07942703018147 0.97740238949046 32.065 > 79 80 S 0.82170794744247 0.07942703018147 0.97740238949046 32.065 > 79 81 S 0.29564084193972 0.16101576617542 0.29333648910257 32.065 > 81 82 S 0.79564084193972 0.16101576617542 0.29333648910257 32.065 > 81 83 S 0.49703028739462 0.67352857267483 0.94957013862326 32.065 > 83 84 S 0.99703028739462 0.67352857267483 0.94957013862326 32.065 > 83 85 S 0.17829205255753 0.92057296981853 0.02259761050954 32.065 > 85 86 S 0.67829205255753 0.92057296981853 0.02259761050954 32.065 > 85 87 S 0.13128112972228 0.25150418941599 0.89852256325148 32.065 > 87 88 S 0.63128112972228 0.25150418941599 0.89852256325148 32.065 > 87 89 S 0.32170794744247 0.42057296981853 0.47740238949046 32.065 > 89 90 S 0.82170794744247 0.42057296981853 0.47740238949046 32.065 > 89 91 S 0.00041618403000 0.02656375235963 0.82220083023067 32.065 > 91 92 S 0.50041618403000 0.02656375235963 0.82220083023067 32.065 > 91 93 S 0.36871887027772 0.75150418941599 0.60147743674852 32.065 > 93 94 S 0.86871887027772 0.75150418941599 0.60147743674852 32.065 > 93 95 S 0.13128112972228 0.24849581058401 0.39852256325148 32.065 > 95 96 S 0.63128112972228 0.24849581058401 0.39852256325148 32.065 > 95 97 S 0.18526866429254 0.92876083506053 0.34385001781966 32.065 > 97 98 S 0.68526866429254 0.92876083506053 0.34385001781966 32.065 > 97 99 S 0.18526866429254 0.57123916493947 0.84385001781965 32.065 > 99 100 S 0.68526866429254 0.57123916493947 0.84385001781965 32.065 > 99 101 S 0.29564084193972 0.33898423382458 0.79333648910257 32.065 > 101 102 S 0.79564084193972 0.33898423382458 0.79333648910257 32.065 > 101 103 S 0.00296971260538 0.32647142732517 0.05042986137674 32.065 > 103 104 S 0.50296971260538 0.32647142732517 0.05042986137674 32.065 > 103 105 S 0.20435915806028 0.66101576617542 0.20666351089743 32.065 > 105 106 S 0.70435915806028 0.66101576617542 0.20666351089743 32.065 > 105 107 S 0.00296971260538 0.17352857267483 0.55042986137674 32.065 > 107 108 S 0.50296971260538 0.17352857267483 0.55042986137674 32.065 > 107 109 S 0.31473133570746 0.07123916493947 0.65614998218035 32.065 > 109 110 S 0.81473133570746 0.07123916493947 0.65614998218035 32.065 > 109 111 S 0.49703028739462 0.82647142732517 0.44957013862326 32.065 > 111 112 S 0.99703028739462 0.82647142732517 0.44957013862326 32.065 > 111 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 10.7718112 0.0000000 -0.2017058 0.0000000 10.7545187 0.0000000 -0.2017087 0.0000000 11.2903873 -------------------------- Born effective charges -------------------------- 1 Tl 2.3930181 -0.4300563 -0.2070054 -0.3189364 2.0856599 -0.1971278 -0.2863137 0.0149855 2.3989713 2 Tl 2.4354244 0.2796321 0.3754546 0.0139174 2.0660344 -0.3847159 0.4386072 -0.3305242 1.8457026 3 Tl 2.2806714 -0.2627716 0.1103027 -0.3171106 2.2721547 -0.0607915 -0.0566369 -0.2081779 2.1539095 4 Tl 2.2806714 0.2627716 0.1103027 0.3171106 2.2721547 0.0607915 -0.0566369 0.2081779 2.1539095 5 Tl 2.3930181 -0.4300563 -0.2070054 -0.3189364 2.0856599 -0.1971278 -0.2863137 0.0149855 2.3989713 6 Tl 2.3930181 0.4300563 -0.2070054 0.3189364 2.0856599 0.1971278 -0.2863137 -0.0149855 2.3989713 7 Tl 2.2806714 0.2627716 0.1103027 0.3171106 2.2721547 0.0607915 -0.0566369 0.2081779 2.1539095 8 Tl 2.3930181 0.4300563 -0.2070054 0.3189364 2.0856599 0.1971278 -0.2863137 -0.0149855 2.3989713 9 Tl 2.2806714 -0.2627716 0.1103027 -0.3171106 2.2721547 -0.0607915 -0.0566369 -0.2081779 2.1539095 10 Tl 2.4354244 -0.2796321 0.3754546 -0.0139174 2.0660344 0.3847159 0.4386072 0.3305242 1.8457026 11 Tl 2.4354244 -0.2796321 0.3754546 -0.0139174 2.0660344 0.3847159 0.4386072 0.3305242 1.8457026 12 Tl 2.4354244 0.2796321 0.3754546 0.0139174 2.0660344 -0.3847159 0.4386072 -0.3305242 1.8457026 13 Ag 0.7670918 -0.1282484 0.3133351 -0.0491151 1.2211532 0.2175465 0.4210196 0.1882427 0.5000981 14 Ag 0.7651936 0.2176933 0.0292366 -0.0677846 1.1285413 -0.0460061 -0.0629643 -0.1625926 1.0204875 15 Ag 0.7651936 -0.2176933 0.0292366 0.0677846 1.1285413 0.0460061 -0.0629643 0.1625926 1.0204875 16 Ag 0.7651936 -0.2176933 0.0292366 0.0677846 1.1285413 0.0460061 -0.0629643 0.1625926 1.0204875 17 Ag 0.8453625 -0.0384913 -0.0953201 0.0496696 0.9011703 0.1278961 0.0563989 -0.2940733 0.6629901 18 Ag 0.8453625 0.0384913 -0.0953201 -0.0496696 0.9011703 -0.1278961 0.0563989 0.2940733 0.6629901 19 Ag 0.8453625 -0.0384913 -0.0953201 0.0496696 0.9011703 0.1278961 0.0563989 -0.2940733 0.6629901 20 Ag 0.8453625 0.0384913 -0.0953201 -0.0496696 0.9011703 -0.1278961 0.0563989 0.2940733 0.6629901 21 Ag 0.7670918 -0.1282484 0.3133351 -0.0491151 1.2211532 0.2175465 0.4210196 0.1882427 0.5000981 22 Ag 0.7651936 0.2176933 0.0292366 -0.0677846 1.1285413 -0.0460061 -0.0629643 -0.1625926 1.0204875 23 Ag 0.7670918 0.1282484 0.3133351 0.0491151 1.2211532 -0.2175465 0.4210196 -0.1882427 0.5000981 24 Ag 0.7670918 0.1282484 0.3133351 0.0491151 1.2211532 -0.2175465 0.4210196 -0.1882427 0.5000981 25 Sb 2.7191804 -0.8408401 0.7004571 -0.8049962 2.0998725 0.6268559 0.2180035 0.1069830 3.5204440 26 Sb 2.7191804 0.8408401 0.7004571 0.8049962 2.0998725 -0.6268559 0.2180035 -0.1069830 3.5204440 27 Sb 1.7857434 -0.5634341 -0.7268233 -0.0673723 3.2667123 -0.2982361 -1.0673427 -0.5108037 3.0027367 28 Sb 1.7857434 -0.5634341 -0.7268233 -0.0673723 3.2667123 -0.2982361 -1.0673427 -0.5108037 3.0027367 29 Sb 2.7191804 -0.8408401 0.7004571 -0.8049962 2.0998725 0.6268559 0.2180035 0.1069830 3.5204440 30 Sb 2.7191804 0.8408401 0.7004571 0.8049962 2.0998725 -0.6268559 0.2180035 -0.1069830 3.5204440 31 Sb 1.7857434 0.5634341 -0.7268233 0.0673723 3.2667123 0.2982361 -1.0673427 0.5108037 3.0027367 32 Sb 1.7857434 0.5634341 -0.7268233 0.0673723 3.2667123 0.2982361 -1.0673427 0.5108037 3.0027367 33 S -1.4513054 -0.7157780 -0.2187642 -0.0531059 -2.4813326 -0.3441853 0.2111475 -0.6075029 -2.2145297 34 S -2.1651338 -0.1125770 0.1075216 0.4044859 -2.9292023 0.4112309 0.0846321 0.0651933 -1.4685303 35 S -3.1699687 -0.1981137 -0.0783489 0.6998477 -2.2735293 -0.2484520 0.1777664 -0.1277548 -2.7079266 36 S -3.1699687 -0.1981137 -0.0783489 0.6998477 -2.2735293 -0.2484520 0.1777664 -0.1277548 -2.7079266 37 S -3.1699687 0.1981137 -0.0783489 -0.6998477 -2.2735293 0.2484520 0.1777664 0.1277548 -2.7079266 38 S -1.8961867 -0.1359587 0.0465931 -0.3021020 -1.9958548 -0.5620776 -0.3404530 -0.5173295 -3.4135846 39 S -3.0369253 -0.1873292 0.1413772 -0.2162432 -2.5735956 0.4137541 0.7807950 0.4565152 -2.2692908 40 S -1.8961867 0.1359587 0.0465931 0.3021020 -1.9958548 0.5620776 -0.3404530 0.5173295 -3.4135846 41 S -2.1651338 -0.1125770 0.1075216 0.4044859 -2.9292023 0.4112309 0.0846321 0.0651933 -1.4685303 42 S -2.2721656 0.2683911 -0.4980160 0.3256027 -2.7877839 -0.4774159 -0.5746596 -0.7652526 -3.0314778 43 S -1.8961867 0.1359587 0.0465931 0.3021020 -1.9958548 0.5620776 -0.3404530 0.5173295 -3.4135846 44 S -1.4513054 -0.7157780 -0.2187642 -0.0531059 -2.4813326 -0.3441853 0.2111475 -0.6075029 -2.2145297 45 S -1.8961867 -0.1359587 0.0465931 -0.3021020 -1.9958548 -0.5620776 -0.3404530 -0.5173295 -3.4135846 46 S -3.1699687 0.1981137 -0.0783489 -0.6998477 -2.2735293 0.2484520 0.1777664 0.1277548 -2.7079266 47 S -1.4513054 0.7157780 -0.2187642 0.0531059 -2.4813326 0.3441853 0.2111475 0.6075029 -2.2145297 48 S -1.4513054 0.7157780 -0.2187642 0.0531059 -2.4813326 0.3441853 0.2111475 0.6075029 -2.2145297 49 S -3.0369253 0.1873292 0.1413772 0.2162432 -2.5735956 -0.4137541 0.7807950 -0.4565152 -2.2692908 50 S -3.0369253 -0.1873292 0.1413772 -0.2162432 -2.5735956 0.4137541 0.7807950 0.4565152 -2.2692908 51 S -2.1651338 0.1125770 0.1075216 -0.4044859 -2.9292023 -0.4112309 0.0846321 -0.0651933 -1.4685303 52 S -2.2721656 0.2683911 -0.4980160 0.3256027 -2.7877839 -0.4774159 -0.5746596 -0.7652526 -3.0314778 53 S -2.1651338 0.1125770 0.1075216 -0.4044859 -2.9292023 -0.4112309 0.0846321 -0.0651933 -1.4685303 54 S -2.2721656 -0.2683911 -0.4980160 -0.3256027 -2.7877839 0.4774159 -0.5746596 0.7652526 -3.0314778 55 S -3.0369253 0.1873292 0.1413772 0.2162432 -2.5735956 -0.4137541 0.7807950 -0.4565152 -2.2692908 56 S -2.2721656 -0.2683911 -0.4980160 -0.3256027 -2.7877839 0.4774159 -0.5746596 0.7652526 -3.0314778 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 4 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: 0.38, Number of G-points: 297, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/39) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.707 ( 0.000 0.000 0.000) 0.000 0.732 ( 0.000 0.000 0.000) 0.000 0.735 ( 0.000 0.000 0.000) 0.000 0.780 ( 0.000 0.000 0.000) 0.000 0.796 ( 0.000 0.000 0.000) 0.000 0.798 ( 0.000 0.000 0.000) 0.000 0.817 ( 0.000 0.000 0.000) 0.000 0.853 ( 0.000 0.000 0.000) 0.000 0.877 ( 0.000 0.000 0.000) 0.000 0.899 ( 0.000 0.000 0.000) 0.000 0.906 ( 0.000 0.000 0.000) 0.000 0.923 ( 0.000 0.000 0.000) 0.000 0.934 ( 0.000 0.000 0.000) 0.000 0.940 ( 0.000 0.000 0.000) 0.000 0.968 ( 0.000 0.000 0.000) 0.000 1.003 ( 0.000 0.000 0.000) 0.000 1.011 ( 0.000 0.000 0.000) 0.000 1.037 ( 0.000 0.000 0.000) 0.000 1.067 ( 0.000 0.000 0.000) 0.000 1.078 ( 0.000 0.000 0.000) 0.000 1.106 ( 0.000 0.000 0.000) 0.000 1.123 ( 0.000 0.000 0.000) 0.000 1.134 ( 0.000 0.000 0.000) 0.000 1.137 ( 0.000 0.000 0.000) 0.000 1.138 ( 0.000 0.000 0.000) 0.000 1.139 ( 0.000 0.000 0.000) 0.000 1.168 ( 0.000 0.000 0.000) 0.000 1.176 ( 0.000 0.000 0.000) 0.000 1.182 ( 0.000 0.000 0.000) 0.000 1.199 ( 0.000 0.000 0.000) 0.000 1.219 ( 0.000 0.000 0.000) 0.000 1.251 ( 0.000 0.000 0.000) 0.000 1.262 ( 0.000 0.000 0.000) 0.000 1.269 ( 0.000 0.000 0.000) 0.000 1.286 ( 0.000 0.000 0.000) 0.000 1.293 ( 0.000 0.000 0.000) 0.000 1.309 ( 0.000 0.000 0.000) 0.000 1.312 ( 0.000 0.000 0.000) 0.000 1.367 ( 0.000 0.000 0.000) 0.000 1.396 ( 0.000 0.000 0.000) 0.000 1.404 ( 0.000 0.000 0.000) 0.000 1.428 ( 0.000 0.000 0.000) 0.000 1.444 ( 0.000 0.000 0.000) 0.000 1.455 ( 0.000 0.000 0.000) 0.000 1.456 ( 0.000 0.000 0.000) 0.000 1.500 ( 0.000 0.000 0.000) 0.000 1.543 ( 0.000 0.000 0.000) 0.000 1.560 ( 0.000 0.000 0.000) 0.000 1.573 ( 0.000 0.000 0.000) 0.000 1.590 ( 0.000 0.000 0.000) 0.000 1.602 ( 0.000 0.000 0.000) 0.000 1.630 ( 0.000 0.000 0.000) 0.000 1.675 ( 0.000 0.000 0.000) 0.000 1.677 ( 0.000 0.000 0.000) 0.000 1.685 ( 0.000 0.000 0.000) 0.000 1.710 ( 0.000 0.000 0.000) 0.000 1.724 ( 0.000 0.000 0.000) 0.000 1.762 ( 0.000 0.000 0.000) 0.000 1.804 ( 0.000 0.000 0.000) 0.000 1.811 ( 0.000 0.000 0.000) 0.000 1.944 ( 0.000 0.000 0.000) 0.000 1.980 ( 0.000 0.000 0.000) 0.000 2.031 ( 0.000 0.000 0.000) 0.000 2.036 ( 0.000 0.000 0.000) 0.000 2.062 ( 0.000 0.000 0.000) 0.000 2.105 ( 0.000 0.000 0.000) 0.000 2.158 ( 0.000 0.000 0.000) 0.000 2.169 ( 0.000 0.000 0.000) 0.000 2.182 ( 0.000 0.000 0.000) 0.000 2.205 ( 0.000 0.000 0.000) 0.000 2.207 ( 0.000 0.000 0.000) 0.000 2.245 ( 0.000 0.000 0.000) 0.000 2.271 ( 0.000 0.000 0.000) 0.000 2.348 ( 0.000 0.000 0.000) 0.000 2.382 ( 0.000 0.000 0.000) 0.000 2.451 ( 0.000 0.000 0.000) 0.000 2.484 ( 0.000 0.000 0.000) 0.000 2.538 ( 0.000 0.000 0.000) 0.000 2.598 ( 0.000 0.000 0.000) 0.000 2.601 ( 0.000 0.000 0.000) 0.000 2.648 ( 0.000 0.000 0.000) 0.000 2.651 ( 0.000 0.000 0.000) 0.000 2.653 ( 0.000 0.000 0.000) 0.000 2.743 ( 0.000 0.000 0.000) 0.000 2.782 ( 0.000 0.000 0.000) 0.000 2.827 ( 0.000 0.000 0.000) 0.000 2.906 ( 0.000 0.000 0.000) 0.000 2.931 ( 0.000 0.000 0.000) 0.000 2.965 ( 0.000 0.000 0.000) 0.000 2.987 ( 0.000 0.000 0.000) 0.000 3.123 ( 0.000 0.000 0.000) 0.000 3.415 ( 0.000 0.000 0.000) 0.000 3.481 ( 0.000 0.000 0.000) 0.000 3.606 ( 0.000 0.000 0.000) 0.000 3.687 ( 0.000 0.000 0.000) 0.000 3.689 ( 0.000 0.000 0.000) 0.000 3.712 ( 0.000 0.000 0.000) 0.000 4.083 ( 0.000 0.000 0.000) 0.000 4.097 ( 0.000 0.000 0.000) 0.000 4.215 ( 0.000 0.000 0.000) 0.000 4.281 ( 0.000 0.000 0.000) 0.000 4.479 ( 0.000 0.000 0.000) 0.000 4.818 ( 0.000 0.000 0.000) 0.000 5.094 ( 0.000 0.000 0.000) 0.000 5.121 ( 0.000 0.000 0.000) 0.000 5.137 ( 0.000 0.000 0.000) 0.000 5.280 ( 0.000 0.000 0.000) 0.000 5.302 ( 0.000 0.000 0.000) 0.000 5.413 ( 0.000 0.000 0.000) 0.000 5.445 ( 0.000 0.000 0.000) 0.000 5.452 ( 0.000 0.000 0.000) 0.000 5.454 ( 0.000 0.000 0.000) 0.000 5.521 ( 0.000 0.000 0.000) 0.000 5.527 ( 0.000 0.000 0.000) 0.000 5.627 ( 0.000 0.000 0.000) 0.000 5.722 ( 0.000 0.000 0.000) 0.000 5.988 ( 0.000 0.000 0.000) 0.000 6.004 ( 0.000 0.000 0.000) 0.000 6.119 ( 0.000 0.000 0.000) 0.000 6.131 ( 0.000 0.000 0.000) 0.000 6.137 ( 0.000 0.000 0.000) 0.000 6.251 ( 0.000 0.000 0.000) 0.000 6.274 ( 0.000 0.000 0.000) 0.000 6.306 ( 0.000 0.000 0.000) 0.000 6.312 ( 0.000 0.000 0.000) 0.000 6.343 ( 0.000 0.000 0.000) 0.000 6.410 ( 0.000 0.000 0.000) 0.000 6.525 ( 0.000 0.000 0.000) 0.000 6.529 ( 0.000 0.000 0.000) 0.000 6.549 ( 0.000 0.000 0.000) 0.000 6.820 ( 0.000 0.000 0.000) 0.000 6.856 ( 0.000 0.000 0.000) 0.000 6.908 ( 0.000 0.000 0.000) 0.000 6.985 ( 0.000 0.000 0.000) 0.000 7.181 ( 0.000 0.000 0.000) 0.000 7.183 ( 0.000 0.000 0.000) 0.000 7.326 ( 0.000 0.000 0.000) 0.000 7.397 ( 0.000 0.000 0.000) 0.000 7.455 ( 0.000 0.000 0.000) 0.000 7.548 ( 0.000 0.000 0.000) 0.000 7.693 ( 0.000 0.000 0.000) 0.000 8.321 ( 0.000 0.000 0.000) 0.000 8.398 ( 0.000 0.000 0.000) 0.000 8.600 ( 0.000 0.000 0.000) 0.000 8.700 ( 0.000 0.000 0.000) 0.000 8.729 ( 0.000 0.000 0.000) 0.000 8.762 ( 0.000 0.000 0.000) 0.000 8.865 ( 0.000 0.000 0.000) 0.000 8.871 ( 0.000 0.000 0.000) 0.000 8.880 ( 0.000 0.000 0.000) 0.000 8.912 ( 0.000 0.000 0.000) 0.000 8.918 ( 0.000 0.000 0.000) 0.000 9.049 ( 0.000 0.000 0.000) 0.000 9.064 ( 0.000 0.000 0.000) 0.000 9.067 ( 0.000 0.000 0.000) 0.000 9.074 ( 0.000 0.000 0.000) 0.000 9.328 ( 0.000 0.000 0.000) 0.000 9.469 ( 0.000 0.000 0.000) 0.000 9.620 ( 0.000 0.000 0.000) 0.000 9.749 ( 0.000 0.000 0.000) 0.000 9.752 ( 0.000 0.000 0.000) 0.000 9.815 ( 0.000 0.000 0.000) 0.000 9.889 ( 0.000 0.000 0.000) 0.000 9.945 ( 0.000 0.000 0.000) 0.000 9.963 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/39) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.275 ( 11.369 0.000 6.012) 12.861 0.285 ( 11.921 0.000 5.699) 13.213 0.479 ( 18.065 0.000 10.719) 21.006 0.702 ( -0.446 0.000 0.193) 0.486 0.728 ( 0.734 0.000 -0.822) 1.101 0.746 ( 1.407 0.000 -1.044) 1.752 0.779 ( 0.623 0.000 -1.486) 1.611 0.794 ( -0.893 0.000 0.230) 0.923 0.799 ( -0.503 0.000 0.466) 0.686 0.818 ( -0.487 0.000 1.115) 1.217 0.850 ( 0.145 0.000 0.164) 0.218 0.852 ( -1.217 0.000 -2.742) 3.000 0.873 ( -1.993 0.000 -0.964) 2.214 0.903 ( -1.432 0.000 -0.139) 1.438 0.920 ( 0.797 0.000 -0.824) 1.146 0.949 ( 2.571 0.000 0.681) 2.660 0.967 ( 1.552 0.000 1.541) 2.187 0.984 ( 0.442 0.000 1.015) 1.107 1.005 ( -0.444 0.000 1.495) 1.560 1.022 ( -0.293 0.000 -0.465) 0.550 1.025 ( -2.798 0.000 0.422) 2.829 1.062 ( -1.017 0.000 -0.135) 1.026 1.068 ( -0.415 0.000 -0.155) 0.443 1.096 ( 2.000 0.000 -0.848) 2.173 1.107 ( -1.686 0.000 -1.650) 2.359 1.114 ( -0.434 0.000 0.365) 0.567 1.132 ( -0.766 0.000 0.537) 0.936 1.148 ( 0.959 0.000 -0.931) 1.337 1.158 ( -0.017 0.000 -0.656) 0.656 1.170 ( -0.761 0.000 1.775) 1.931 1.182 ( 1.593 0.000 0.124) 1.598 1.193 ( -2.042 0.000 0.524) 2.108 1.217 ( 0.893 0.000 0.234) 0.923 1.219 ( 0.368 0.000 1.412) 1.459 1.245 ( -0.518 0.000 0.629) 0.815 1.252 ( -2.855 0.000 1.097) 3.059 1.262 ( -0.182 0.000 -0.636) 0.661 1.266 ( 0.537 0.000 -0.187) 0.569 1.290 ( 1.021 0.000 -1.164) 1.549 1.322 ( 0.681 0.000 0.124) 0.693 1.336 ( 0.904 0.000 -1.052) 1.387 1.344 ( -0.263 0.000 -1.488) 1.512 1.389 ( -2.478 0.000 -0.435) 2.516 1.417 ( 0.834 0.000 -0.364) 0.910 1.427 ( -1.521 0.000 1.934) 2.460 1.437 ( -0.579 0.000 0.156) 0.600 1.459 ( 1.404 0.000 0.475) 1.482 1.479 ( -1.043 0.000 -0.303) 1.086 1.505 ( 0.434 0.000 -0.977) 1.069 1.511 ( -0.560 0.000 -1.469) 1.572 1.539 ( -0.377 0.000 0.509) 0.633 1.590 ( -3.542 0.000 -3.682) 5.109 1.606 ( 1.532 0.000 1.900) 2.441 1.625 ( 1.545 0.000 0.335) 1.581 1.640 ( 1.621 0.000 3.936) 4.257 1.658 ( 0.967 0.000 -0.772) 1.237 1.675 ( -0.078 0.000 -0.006) 0.078 1.686 ( 0.334 0.000 -0.559) 0.651 1.723 ( -0.056 0.000 -0.665) 0.668 1.771 ( -1.259 0.000 2.154) 2.495 1.774 ( 1.229 0.000 -1.864) 2.233 1.797 ( -0.378 0.000 -0.228) 0.441 1.821 ( 2.047 0.000 -1.030) 2.292 1.928 ( -1.836 0.000 1.193) 2.190 1.971 ( -0.207 0.000 -1.390) 1.406 1.999 ( -2.268 0.000 -1.155) 2.545 2.033 ( -0.169 0.000 -1.012) 1.026 2.046 ( -1.721 0.000 0.578) 1.816 2.119 ( -2.173 0.000 -2.278) 3.148 2.121 ( -2.557 0.000 -2.462) 3.550 2.182 ( -1.149 0.000 -0.230) 1.171 2.192 ( -0.426 0.000 -0.454) 0.623 2.208 ( 1.781 0.000 0.659) 1.899 2.245 ( 3.053 0.000 -0.191) 3.059 2.254 ( -1.119 0.000 -0.051) 1.121 2.300 ( 1.677 0.000 0.405) 1.725 2.375 ( 1.080 0.000 1.287) 1.680 2.399 ( 1.514 0.000 0.438) 1.576 2.464 ( 1.473 0.000 -0.621) 1.599 2.487 ( 0.953 0.000 -1.933) 2.155 2.534 ( 0.850 0.000 -2.054) 2.223 2.589 ( -2.679 0.000 -1.619) 3.130 2.615 ( -0.109 0.000 2.238) 2.240 2.623 ( 1.048 0.000 1.770) 2.057 2.652 ( -0.134 0.000 0.228) 0.264 2.670 ( -1.462 0.000 2.301) 2.726 2.702 ( -1.311 0.000 -3.046) 3.316 2.803 ( 0.832 0.000 0.083) 0.836 2.829 ( 0.377 0.000 0.010) 0.377 2.889 ( -2.430 0.000 -0.488) 2.479 2.954 ( -0.857 0.000 0.601) 1.046 2.986 ( 1.220 0.000 1.582) 1.998 3.063 ( 2.785 0.000 4.036) 4.904 3.085 ( -2.579 0.000 -1.954) 3.236 3.419 ( -0.267 0.000 0.340) 0.432 3.482 ( 0.468 0.000 -0.732) 0.868 3.592 ( -0.413 0.000 -1.174) 1.244 3.691 ( -0.028 0.000 0.217) 0.219 3.694 ( -0.926 0.000 1.097) 1.436 3.706 ( -0.040 0.000 -0.304) 0.307 4.075 ( -0.662 0.000 -0.190) 0.689 4.089 ( -0.459 0.000 -0.481) 0.665 4.212 ( -0.234 0.000 -0.153) 0.280 4.489 ( 0.430 0.000 0.800) 0.909 4.514 ( 0.696 0.000 -2.724) 2.812 4.828 ( 0.287 0.000 1.057) 1.095 5.104 ( 0.637 0.000 0.527) 0.826 5.125 ( 0.385 0.000 0.033) 0.387 5.175 ( -3.237 0.000 5.571) 6.443 5.270 ( -0.474 0.000 -0.945) 1.057 5.279 ( -1.589 0.000 -1.408) 2.123 5.401 ( -2.168 0.000 -2.928) 3.643 5.431 ( -1.253 0.000 -0.642) 1.408 5.441 ( -0.027 0.000 -0.341) 0.342 5.451 ( 1.221 0.000 -1.846) 2.213 5.546 ( 0.887 0.000 0.975) 1.318 5.562 ( 1.572 0.000 1.960) 2.512 5.647 ( -0.696 0.000 -0.121) 0.707 5.900 ( 0.169 0.000 0.429) 0.461 5.989 ( 0.244 0.000 -0.246) 0.347 6.023 ( 0.598 0.000 1.590) 1.699 6.074 ( -2.077 0.000 -0.652) 2.177 6.153 ( 0.565 0.000 0.464) 0.732 6.220 ( -0.950 0.000 -1.073) 1.434 6.265 ( -0.769 0.000 -0.867) 1.159 6.289 ( -0.652 0.000 0.615) 0.897 6.303 ( -3.527 0.000 3.860) 5.229 6.322 ( 1.750 0.000 1.615) 2.381 6.363 ( 2.083 0.000 1.239) 2.423 6.439 ( 1.123 0.000 0.638) 1.292 6.506 ( 2.464 0.000 -2.754) 3.695 6.511 ( -1.636 0.000 0.421) 1.689 6.640 ( 3.868 0.000 5.647) 6.845 6.725 ( -3.478 0.000 -5.314) 6.351 6.904 ( 3.585 0.000 -4.266) 5.572 6.966 ( 0.309 0.000 4.961) 4.971 6.967 ( -1.385 0.000 -1.069) 1.750 7.127 ( -4.396 0.000 -0.748) 4.459 7.197 ( 1.194 0.000 0.130) 1.201 7.341 ( 0.569 0.000 1.363) 1.478 7.391 ( -0.705 0.000 -0.351) 0.788 7.495 ( 3.815 0.000 -0.485) 3.846 7.548 ( -0.479 0.000 0.926) 1.043 7.687 ( -0.363 0.000 -0.428) 0.561 8.314 ( -0.606 0.000 -0.186) 0.633 8.402 ( 0.500 0.000 -0.091) 0.509 8.646 ( 2.774 0.000 -3.508) 4.473 8.702 ( 0.234 0.000 -0.298) 0.379 8.756 ( 0.185 0.000 -1.000) 1.017 8.842 ( 0.142 0.000 -4.279) 4.282 8.863 ( -0.798 0.000 -0.792) 1.124 8.867 ( -0.698 0.000 0.631) 0.941 8.916 ( 3.549 0.000 0.883) 3.657 8.946 ( 1.135 0.000 1.730) 2.069 8.961 ( -1.186 0.000 3.399) 3.600 9.022 ( 0.083 0.000 -1.867) 1.869 9.079 ( 0.802 0.000 0.516) 0.954 9.102 ( 0.850 0.000 2.057) 2.225 9.266 ( -4.866 0.000 5.707) 7.500 9.295 ( -3.376 0.000 0.236) 3.384 9.475 ( 0.570 0.000 -0.120) 0.582 9.617 ( -0.138 0.000 -0.395) 0.419 9.748 ( 0.487 0.000 -1.265) 1.356 9.761 ( 0.596 0.000 0.603) 0.848 9.821 ( 0.189 0.000 0.585) 0.615 9.885 ( -0.068 0.000 -0.318) 0.325 9.953 ( -0.921 0.000 -0.244) 0.953 9.981 ( -0.172 0.000 0.304) 0.349 ======================= Grid point 2 (3/39) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.517 ( 8.911 0.000 3.447) 9.554 0.531 ( 8.954 0.000 4.021) 9.815 0.677 ( -1.166 0.000 2.901) 3.127 0.685 ( -1.965 0.000 -0.717) 2.092 0.738 ( -1.033 0.000 -1.501) 1.822 0.743 ( -3.653 0.000 -1.745) 4.048 0.764 ( -0.922 0.000 -1.591) 1.839 0.794 ( -0.526 0.000 1.597) 1.681 0.800 ( -0.077 0.000 -1.280) 1.283 0.819 ( -0.372 0.000 -0.076) 0.380 0.853 ( -0.281 0.000 0.104) 0.300 0.861 ( 0.824 0.000 -0.505) 0.967 0.891 ( -1.681 0.000 -0.952) 1.932 0.901 ( -0.270 0.000 -0.095) 0.286 0.901 ( 10.046 0.000 2.849) 10.442 0.965 ( -1.132 0.000 0.205) 1.150 0.972 ( 0.963 0.000 0.288) 1.006 1.000 ( 0.203 0.000 0.956) 0.978 1.012 ( 1.131 0.000 -0.999) 1.509 1.023 ( -0.190 0.000 2.106) 2.115 1.051 ( -0.209 0.000 -0.404) 0.455 1.054 ( 4.113 0.000 3.291) 5.268 1.071 ( 0.769 0.000 0.997) 1.259 1.073 ( -1.685 0.000 -1.614) 2.333 1.107 ( 0.419 0.000 -0.755) 0.863 1.117 ( -0.616 0.000 -0.695) 0.929 1.120 ( 0.747 0.000 0.702) 1.025 1.149 ( -0.555 0.000 -0.736) 0.922 1.157 ( 0.649 0.000 -0.705) 0.958 1.161 ( -1.798 0.000 2.100) 2.764 1.164 ( -0.887 0.000 -0.372) 0.962 1.191 ( 0.147 0.000 -0.278) 0.314 1.211 ( -1.387 0.000 0.553) 1.493 1.226 ( 0.113 0.000 -0.029) 0.117 1.234 ( -1.776 0.000 0.317) 1.804 1.248 ( -0.146 0.000 0.343) 0.373 1.252 ( 0.588 0.000 -0.221) 0.628 1.290 ( 1.698 0.000 -0.074) 1.699 1.322 ( 2.138 0.000 0.447) 2.184 1.323 ( -0.320 0.000 -1.069) 1.116 1.333 ( -0.489 0.000 -1.625) 1.697 1.340 ( -0.881 0.000 0.194) 0.902 1.357 ( 0.774 0.000 0.781) 1.100 1.376 ( -4.661 0.000 -2.314) 5.203 1.409 ( -1.330 0.000 -1.202) 1.793 1.414 ( -1.598 0.000 0.225) 1.614 1.430 ( -0.181 0.000 -0.871) 0.890 1.478 ( 0.015 0.000 0.650) 0.650 1.501 ( -0.477 0.000 0.075) 0.482 1.510 ( 0.417 0.000 -0.115) 0.432 1.523 ( 0.046 0.000 -0.717) 0.719 1.574 ( 1.675 0.000 1.400) 2.183 1.647 ( 1.269 0.000 -0.035) 1.269 1.654 ( 1.076 0.000 -0.052) 1.078 1.675 ( 1.177 0.000 -0.007) 1.177 1.679 ( -0.274 0.000 0.886) 0.928 1.689 ( 1.227 0.000 0.134) 1.234 1.692 ( -1.251 0.000 -1.041) 1.627 1.709 ( 0.480 0.000 2.342) 2.391 1.745 ( -2.294 0.000 -0.206) 2.303 1.746 ( -1.131 0.000 -1.787) 2.115 1.795 ( 0.014 0.000 -0.062) 0.064 1.855 ( 1.423 0.000 0.194) 1.436 1.921 ( -0.374 0.000 1.359) 1.410 1.934 ( -2.553 0.000 -0.851) 2.691 1.948 ( -0.454 0.000 -1.474) 1.542 2.004 ( -2.236 0.000 -0.167) 2.242 2.017 ( -0.057 0.000 -0.764) 0.766 2.086 ( 0.165 0.000 -0.558) 0.582 2.099 ( 0.611 0.000 0.148) 0.629 2.154 ( -1.471 0.000 -0.800) 1.675 2.156 ( -1.242 0.000 0.008) 1.242 2.239 ( -0.073 0.000 -0.496) 0.501 2.266 ( 2.480 0.000 0.647) 2.563 2.284 ( 0.686 0.000 0.625) 0.928 2.313 ( -0.257 0.000 -0.490) 0.553 2.416 ( 1.402 0.000 1.487) 2.044 2.436 ( 1.512 0.000 0.995) 1.810 2.471 ( -0.341 0.000 -1.882) 1.913 2.476 ( 0.226 0.000 -1.146) 1.168 2.522 ( 0.455 0.000 -2.438) 2.480 2.543 ( -1.227 0.000 0.799) 1.464 2.632 ( -0.403 0.000 1.681) 1.728 2.652 ( 0.811 0.000 -0.494) 0.950 2.656 ( 0.384 0.000 -0.131) 0.405 2.657 ( -1.849 0.000 2.259) 2.919 2.664 ( -0.113 0.000 -1.712) 1.716 2.814 ( 0.777 0.000 -0.325) 0.842 2.845 ( -1.827 0.000 -0.127) 1.832 2.848 ( 0.949 0.000 0.847) 1.272 2.944 ( -0.479 0.000 0.110) 0.491 3.010 ( -1.499 0.000 -1.151) 1.890 3.033 ( 0.540 0.000 0.670) 0.861 3.138 ( 1.411 0.000 1.830) 2.311 3.401 ( -0.987 0.000 -0.611) 1.160 3.483 ( 0.248 0.000 -0.399) 0.470 3.584 ( 0.310 0.000 -0.268) 0.410 3.684 ( -0.290 0.000 -0.223) 0.366 3.689 ( -0.239 0.000 0.067) 0.249 3.708 ( 0.049 0.000 0.177) 0.184 4.062 ( -0.418 0.000 -0.121) 0.435 4.077 ( -0.223 0.000 -0.330) 0.399 4.207 ( -0.158 0.000 -0.048) 0.165 4.499 ( -0.089 0.000 -0.781) 0.786 4.503 ( 0.237 0.000 0.461) 0.518 4.843 ( 0.175 0.000 0.718) 0.739 5.119 ( 0.339 0.000 0.356) 0.491 5.137 ( 0.811 0.000 0.113) 0.819 5.169 ( -1.312 0.000 1.023) 1.664 5.236 ( -1.087 0.000 -0.945) 1.440 5.253 ( -0.240 0.000 -0.550) 0.600 5.344 ( -1.176 0.000 -1.294) 1.748 5.413 ( -0.280 0.000 -0.285) 0.399 5.441 ( 0.177 0.000 -0.095) 0.200 5.454 ( 0.350 0.000 -0.424) 0.550 5.562 ( 0.219 0.000 0.282) 0.357 5.599 ( 0.672 0.000 0.885) 1.112 5.631 ( -0.670 0.000 0.030) 0.671 5.912 ( 0.701 0.000 -0.271) 0.751 5.991 ( 0.227 0.000 -0.197) 0.301 6.043 ( -0.021 0.000 1.136) 1.136 6.044 ( -0.893 0.000 0.083) 0.897 6.176 ( 1.693 0.000 -0.001) 1.693 6.208 ( 1.322 0.000 -1.978) 2.379 6.250 ( -0.459 0.000 -0.209) 0.504 6.252 ( -2.434 0.000 -0.230) 2.445 6.259 ( -2.895 0.000 1.193) 3.131 6.399 ( 2.563 0.000 2.691) 3.716 6.410 ( 1.188 0.000 1.061) 1.593 6.451 ( 0.337 0.000 0.040) 0.339 6.492 ( -1.127 0.000 0.186) 1.142 6.536 ( 1.856 0.000 -0.960) 2.090 6.619 ( -2.759 0.000 -2.690) 3.854 6.779 ( 5.444 0.000 3.456) 6.448 6.912 ( -3.825 0.000 -0.654) 3.881 6.916 ( 1.176 0.000 -1.388) 1.819 7.007 ( 0.147 0.000 1.753) 1.759 7.046 ( -2.292 0.000 -1.308) 2.639 7.217 ( 0.668 0.000 0.059) 0.671 7.366 ( 0.640 0.000 0.585) 0.867 7.372 ( -0.593 0.000 -0.287) 0.659 7.543 ( 2.459 0.000 -2.996) 3.876 7.554 ( -0.808 0.000 3.289) 3.386 7.676 ( -0.271 0.000 -0.313) 0.414 8.302 ( -0.355 0.000 -0.091) 0.367 8.410 ( 0.349 0.000 -0.042) 0.352 8.660 ( 0.817 0.000 -0.477) 0.946 8.699 ( -0.047 0.000 -0.288) 0.292 8.755 ( 0.399 0.000 -0.483) 0.626 8.807 ( -0.097 0.000 -1.890) 1.893 8.844 ( -0.613 0.000 -0.152) 0.631 8.858 ( -0.520 0.000 0.243) 0.574 8.970 ( 0.526 0.000 -0.116) 0.539 8.981 ( -0.087 0.000 2.090) 2.092 8.982 ( 1.342 0.000 0.337) 1.384 9.038 ( 3.258 0.000 0.426) 3.286 9.098 ( 0.663 0.000 0.167) 0.684 9.112 ( -1.185 0.000 -0.449) 1.267 9.236 ( -1.878 0.000 1.101) 2.177 9.236 ( -2.629 0.000 0.571) 2.690 9.482 ( 0.249 0.000 -0.063) 0.257 9.610 ( -0.126 0.000 -0.301) 0.326 9.745 ( 0.100 0.000 -0.309) 0.325 9.777 ( 0.310 0.000 0.360) 0.475 9.829 ( 0.107 0.000 0.300) 0.318 9.890 ( 0.744 0.000 0.106) 0.751 9.927 ( -1.320 0.000 -0.433) 1.389 9.981 ( -0.046 0.000 0.079) 0.091 ======================= Grid point 5 (4/39) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 26 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.216 ( 0.000 9.803 0.000) 9.803 0.275 ( 0.000 12.146 0.000) 12.146 0.544 ( 0.000 17.950 0.000) 17.950 0.632 ( 0.000 -2.881 0.000) 2.881 0.655 ( 0.000 -5.133 0.000) 5.133 0.740 ( 0.000 0.428 0.000) 0.428 0.775 ( 0.000 -1.525 0.000) 1.525 0.793 ( 0.000 1.047 0.000) 1.047 0.813 ( 0.000 1.132 0.000) 1.132 0.815 ( 0.000 0.144 0.000) 0.144 0.831 ( 0.000 -1.089 0.000) 1.089 0.872 ( 0.000 -0.078 0.000) 0.078 0.887 ( 0.000 0.067 0.000) 0.067 0.914 ( 0.000 -0.136 0.000) 0.136 0.924 ( 0.000 -1.403 0.000) 1.403 0.945 ( 0.000 -1.331 0.000) 1.331 0.954 ( 0.000 2.057 0.000) 2.057 0.963 ( 0.000 -0.222 0.000) 0.222 1.016 ( 0.000 0.240 0.000) 0.240 1.028 ( 0.000 1.209 0.000) 1.209 1.037 ( 0.000 0.925 0.000) 0.925 1.054 ( 0.000 -0.722 0.000) 0.722 1.079 ( 0.000 -1.346 0.000) 1.346 1.098 ( 0.000 0.732 0.000) 0.732 1.120 ( 0.000 -2.447 0.000) 2.447 1.121 ( 0.000 -0.735 0.000) 0.735 1.122 ( 0.000 -0.352 0.000) 0.352 1.146 ( 0.000 0.076 0.000) 0.076 1.151 ( 0.000 0.610 0.000) 0.610 1.170 ( 0.000 0.219 0.000) 0.219 1.182 ( 0.000 0.346 0.000) 0.346 1.185 ( 0.000 0.299 0.000) 0.299 1.191 ( 0.000 0.193 0.000) 0.193 1.220 ( 0.000 -2.396 0.000) 2.396 1.226 ( 0.000 0.373 0.000) 0.373 1.256 ( 0.000 -1.195 0.000) 1.195 1.263 ( 0.000 -0.468 0.000) 0.468 1.278 ( 0.000 -0.744 0.000) 0.744 1.305 ( 0.000 1.655 0.000) 1.655 1.309 ( 0.000 0.865 0.000) 0.865 1.332 ( 0.000 -0.277 0.000) 0.277 1.340 ( 0.000 -0.989 0.000) 0.989 1.396 ( 0.000 -1.872 0.000) 1.872 1.401 ( 0.000 -2.263 0.000) 2.263 1.430 ( 0.000 1.920 0.000) 1.920 1.457 ( 0.000 0.446 0.000) 0.446 1.479 ( 0.000 1.213 0.000) 1.213 1.494 ( 0.000 -0.083 0.000) 0.083 1.525 ( 0.000 0.321 0.000) 0.321 1.531 ( 0.000 -1.421 0.000) 1.421 1.541 ( 0.000 0.780 0.000) 0.780 1.588 ( 0.000 -0.300 0.000) 0.300 1.598 ( 0.000 -0.426 0.000) 0.426 1.599 ( 0.000 -0.132 0.000) 0.132 1.622 ( 0.000 1.751 0.000) 1.751 1.659 ( 0.000 -1.811 0.000) 1.811 1.659 ( 0.000 -1.484 0.000) 1.484 1.697 ( 0.000 1.271 0.000) 1.271 1.716 ( 0.000 0.501 0.000) 0.501 1.760 ( 0.000 2.598 0.000) 2.598 1.771 ( 0.000 -3.281 0.000) 3.281 1.800 ( 0.000 1.397 0.000) 1.397 1.839 ( 0.000 1.858 0.000) 1.858 1.936 ( 0.000 -0.144 0.000) 0.144 1.976 ( 0.000 -0.271 0.000) 0.271 1.991 ( 0.000 -3.459 0.000) 3.459 2.012 ( 0.000 -1.568 0.000) 1.568 2.042 ( 0.000 -1.672 0.000) 1.672 2.104 ( 0.000 0.323 0.000) 0.323 2.138 ( 0.000 -1.204 0.000) 1.204 2.182 ( 0.000 0.732 0.000) 0.732 2.194 ( 0.000 0.947 0.000) 0.947 2.216 ( 0.000 0.880 0.000) 0.880 2.227 ( 0.000 -0.991 0.000) 0.991 2.262 ( 0.000 0.351 0.000) 0.351 2.272 ( 0.000 -0.247 0.000) 0.247 2.364 ( 0.000 0.965 0.000) 0.965 2.390 ( 0.000 0.962 0.000) 0.962 2.439 ( 0.000 -2.981 0.000) 2.981 2.463 ( 0.000 -1.356 0.000) 1.356 2.559 ( 0.000 0.428 0.000) 0.428 2.581 ( 0.000 -0.872 0.000) 0.872 2.608 ( 0.000 0.423 0.000) 0.423 2.647 ( 0.000 -0.680 0.000) 0.680 2.652 ( 0.000 0.475 0.000) 0.475 2.660 ( 0.000 0.521 0.000) 0.521 2.750 ( 0.000 0.408 0.000) 0.408 2.772 ( 0.000 -0.690 0.000) 0.690 2.840 ( 0.000 0.936 0.000) 0.936 2.885 ( 0.000 -1.558 0.000) 1.558 2.917 ( 0.000 -0.639 0.000) 0.639 2.926 ( 0.000 -0.389 0.000) 0.389 3.120 ( 0.000 7.804 0.000) 7.804 3.188 ( 0.000 5.322 0.000) 5.322 3.403 ( 0.000 -2.507 0.000) 2.507 3.431 ( 0.000 -4.524 0.000) 4.524 3.577 ( 0.000 -1.461 0.000) 1.461 3.635 ( 0.000 -2.681 0.000) 2.681 3.724 ( 0.000 0.745 0.000) 0.745 3.724 ( 0.000 1.110 0.000) 1.110 4.120 ( 0.000 2.743 0.000) 2.743 4.201 ( 0.000 -1.056 0.000) 1.056 4.267 ( 0.000 1.428 0.000) 1.428 4.294 ( 0.000 0.655 0.000) 0.655 4.778 ( 0.000 3.511 0.000) 3.511 4.894 ( 0.000 6.693 0.000) 6.693 5.074 ( 0.000 -6.513 0.000) 6.513 5.126 ( 0.000 1.199 0.000) 1.199 5.202 ( 0.000 4.052 0.000) 4.052 5.235 ( 0.000 -4.498 0.000) 4.498 5.258 ( 0.000 -4.301 0.000) 4.301 5.325 ( 0.000 -2.762 0.000) 2.762 5.421 ( 0.000 -1.649 0.000) 1.649 5.433 ( 0.000 -2.793 0.000) 2.793 5.456 ( 0.000 -0.036 0.000) 0.036 5.518 ( 0.000 0.045 0.000) 0.045 5.563 ( 0.000 -3.996 0.000) 3.996 5.573 ( 0.000 -0.319 0.000) 0.319 5.857 ( 0.000 9.465 0.000) 9.465 6.010 ( 0.000 0.533 0.000) 0.533 6.042 ( 0.000 2.028 0.000) 2.028 6.143 ( 0.000 1.492 0.000) 1.492 6.158 ( 0.000 2.589 0.000) 2.589 6.173 ( 0.000 -3.077 0.000) 3.077 6.245 ( 0.000 -3.608 0.000) 3.608 6.274 ( 0.000 -0.210 0.000) 0.210 6.311 ( 0.000 0.592 0.000) 0.592 6.333 ( 0.000 2.011 0.000) 2.011 6.364 ( 0.000 1.161 0.000) 1.161 6.420 ( 0.000 0.686 0.000) 0.686 6.470 ( 0.000 -2.861 0.000) 2.861 6.491 ( 0.000 -2.840 0.000) 2.840 6.614 ( 0.000 3.757 0.000) 3.757 6.799 ( 0.000 -2.766 0.000) 2.766 6.858 ( 0.000 0.147 0.000) 0.147 6.877 ( 0.000 -1.638 0.000) 1.638 7.014 ( 0.000 2.646 0.000) 2.646 7.153 ( 0.000 -2.544 0.000) 2.544 7.271 ( 0.000 0.534 0.000) 0.534 7.304 ( 0.000 -1.207 0.000) 1.207 7.425 ( 0.000 2.287 0.000) 2.287 7.515 ( 0.000 4.422 0.000) 4.422 7.532 ( 0.000 -1.748 0.000) 1.748 7.672 ( 0.000 -2.023 0.000) 2.023 8.413 ( 0.000 2.169 0.000) 2.169 8.438 ( 0.000 3.546 0.000) 3.546 8.554 ( 0.000 -3.448 0.000) 3.448 8.650 ( 0.000 -4.966 0.000) 4.966 8.730 ( 0.000 2.120 0.000) 2.120 8.814 ( 0.000 2.802 0.000) 2.802 8.839 ( 0.000 -2.364 0.000) 2.364 8.887 ( 0.000 0.245 0.000) 0.245 8.928 ( 0.000 1.368 0.000) 1.368 8.931 ( 0.000 0.987 0.000) 0.987 9.002 ( 0.000 -1.554 0.000) 1.554 9.010 ( 0.000 -2.233 0.000) 2.233 9.066 ( 0.000 0.216 0.000) 0.216 9.098 ( 0.000 0.626 0.000) 0.626 9.310 ( 0.000 -1.120 0.000) 1.120 9.320 ( 0.000 -0.883 0.000) 0.883 9.515 ( 0.000 3.811 0.000) 3.811 9.656 ( 0.000 3.076 0.000) 3.076 9.710 ( 0.000 -3.614 0.000) 3.614 9.762 ( 0.000 0.641 0.000) 0.641 9.816 ( 0.000 -0.013 0.000) 0.013 9.841 ( 0.000 -2.951 0.000) 2.951 9.978 ( 0.000 1.702 0.000) 1.702 10.012 ( 0.000 -0.197 0.000) 0.197 ======================= Grid point 6 (5/39) ======================= q-point: ( 0.20 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.337 ( 6.854 7.523 1.772) 10.330 0.374 ( 6.148 4.911 10.807) 13.368 0.640 ( 2.863 -4.299 0.916) 5.245 0.661 ( 2.438 -0.294 1.187) 2.728 0.679 ( 2.985 4.696 2.388) 6.055 0.739 ( 2.063 0.574 -0.609) 2.226 0.761 ( -0.148 -1.264 -0.767) 1.486 0.788 ( 0.046 1.097 -1.432) 1.804 0.801 ( -1.057 -0.344 0.312) 1.154 0.825 ( -0.606 0.293 0.912) 1.134 0.836 ( -0.524 0.331 -0.107) 0.629 0.864 ( -0.332 0.621 -0.097) 0.711 0.888 ( 0.377 -0.568 -2.453) 2.546 0.910 ( 1.994 1.067 -1.870) 2.934 0.915 ( -0.329 -0.056 0.443) 0.555 0.939 ( -0.889 1.008 -0.274) 1.371 0.968 ( 1.602 0.199 1.919) 2.508 0.982 ( -0.097 -0.397 0.274) 0.492 1.011 ( 0.056 -0.487 0.468) 0.678 1.020 ( -2.604 -0.221 0.776) 2.726 1.034 ( -1.479 -0.560 -0.271) 1.605 1.053 ( -1.023 -0.022 0.354) 1.083 1.062 ( 0.046 -1.106 -0.537) 1.230 1.079 ( 0.948 -0.927 -0.345) 1.370 1.099 ( 0.334 1.310 -0.596) 1.478 1.121 ( -0.228 -0.562 0.262) 0.661 1.125 ( 0.493 0.146 -1.074) 1.191 1.150 ( 0.422 0.310 -2.410) 2.467 1.157 ( -0.466 0.316 0.351) 0.663 1.163 ( -0.856 -0.714 1.689) 2.024 1.182 ( -0.225 0.436 0.443) 0.661 1.201 ( -0.753 0.058 1.054) 1.296 1.208 ( 1.382 -0.483 0.511) 1.551 1.219 ( 0.619 -0.133 1.194) 1.351 1.236 ( 0.458 -0.511 0.250) 0.730 1.247 ( -0.031 -0.673 1.094) 1.285 1.254 ( -0.661 -0.552 -1.405) 1.648 1.278 ( -0.730 1.266 -0.664) 1.605 1.297 ( 0.488 0.356 1.464) 1.583 1.317 ( 0.218 -1.388 -1.251) 1.881 1.322 ( 0.461 0.034 -0.268) 0.534 1.339 ( 0.242 0.520 -0.204) 0.609 1.382 ( -0.215 -1.858 0.740) 2.012 1.402 ( -1.809 0.746 -1.879) 2.713 1.432 ( 0.313 -1.334 0.293) 1.402 1.452 ( -0.963 1.061 0.818) 1.650 1.471 ( -0.897 -1.402 -0.888) 1.887 1.489 ( -0.898 0.867 -0.569) 1.371 1.502 ( 0.342 0.104 -0.028) 0.359 1.517 ( -1.512 1.861 0.892) 2.559 1.541 ( 0.038 -0.531 -0.121) 0.546 1.566 ( -1.594 -1.399 -1.274) 2.474 1.621 ( 1.744 0.463 -0.645) 1.916 1.639 ( 0.935 0.469 1.936) 2.201 1.642 ( 1.760 0.459 2.628) 3.196 1.654 ( -0.012 1.573 -0.202) 1.586 1.667 ( 0.640 -0.525 0.245) 0.864 1.696 ( 0.346 0.186 -0.532) 0.662 1.730 ( 0.843 -0.849 -0.310) 1.236 1.755 ( -0.140 -0.275 -1.013) 1.059 1.791 ( 1.173 -0.300 0.298) 1.247 1.800 ( -1.335 1.158 1.249) 2.164 1.835 ( 0.625 1.296 -0.811) 1.651 1.923 ( -0.730 -0.274 -0.137) 0.792 1.956 ( -0.777 -2.184 -2.109) 3.134 1.972 ( -0.977 -1.550 -0.970) 2.074 2.009 ( -1.029 -1.425 1.090) 2.068 2.028 ( -1.477 -1.096 -0.431) 1.889 2.088 ( -1.936 -0.037 -1.306) 2.336 2.137 ( -1.049 -1.388 -0.247) 1.757 2.156 ( 0.317 0.238 -1.936) 1.976 2.204 ( -2.564 0.140 -0.024) 2.568 2.226 ( 2.912 -0.594 -1.510) 3.334 2.242 ( 1.147 0.028 0.167) 1.160 2.258 ( 1.060 1.444 1.626) 2.419 2.304 ( 0.984 -0.045 -0.010) 0.986 2.375 ( 1.091 0.309 0.670) 1.317 2.402 ( 1.293 0.290 0.108) 1.330 2.443 ( 0.927 -2.154 -0.433) 2.385 2.462 ( 0.351 -0.984 -0.412) 1.123 2.558 ( 0.311 1.248 -0.076) 1.289 2.589 ( -1.410 0.435 -0.323) 1.511 2.606 ( 0.481 -1.040 1.237) 1.686 2.637 ( -0.403 0.500 0.858) 1.071 2.647 ( -0.121 -0.206 0.457) 0.516 2.668 ( -0.393 0.190 0.696) 0.821 2.722 ( -1.480 1.441 -1.138) 2.358 2.783 ( 0.468 -1.128 0.932) 1.537 2.842 ( 0.418 0.985 -0.112) 1.076 2.878 ( -1.457 -0.829 -0.669) 1.805 2.914 ( -0.775 -1.284 0.430) 1.560 2.955 ( 1.255 -2.461 2.186) 3.523 3.147 ( 1.206 6.823 0.210) 6.932 3.159 ( -1.222 5.492 -0.214) 5.630 3.392 ( -1.097 -3.149 -0.309) 3.349 3.430 ( 0.467 -4.519 -0.894) 4.630 3.575 ( 0.400 -0.429 -0.501) 0.771 3.648 ( 0.479 -2.551 0.892) 2.745 3.712 ( -0.666 0.780 -0.739) 1.264 3.721 ( -0.280 0.708 -0.067) 0.765 4.112 ( -0.617 2.858 -0.335) 2.943 4.172 ( -2.202 3.243 0.182) 3.924 4.218 ( -0.425 1.392 -1.760) 2.283 4.377 ( 2.899 -4.448 1.409) 5.492 4.681 ( -3.662 8.873 -3.120) 10.094 4.893 ( -0.034 6.203 0.459) 6.220 5.092 ( 0.682 -6.287 0.615) 6.354 5.122 ( -0.757 -0.113 1.099) 1.339 5.188 ( -0.682 3.791 0.451) 3.878 5.211 ( -1.286 -3.679 -1.689) 4.247 5.266 ( 0.157 -3.236 -0.686) 3.312 5.332 ( 0.402 -4.327 -0.188) 4.349 5.402 ( -2.081 -1.801 0.802) 2.867 5.426 ( -0.367 -1.724 -0.101) 1.765 5.436 ( -0.200 0.842 -2.181) 2.346 5.517 ( -0.619 -0.494 0.358) 0.869 5.574 ( 0.685 0.045 0.871) 1.110 5.605 ( 2.186 -5.023 -0.351) 5.489 5.909 ( 2.406 6.015 0.817) 6.530 6.005 ( 0.715 0.432 -0.203) 0.859 6.077 ( -0.395 1.056 2.086) 2.371 6.118 ( -1.001 3.882 -1.100) 4.157 6.155 ( -0.381 0.088 -0.307) 0.497 6.192 ( 0.208 -1.198 3.251) 3.470 6.248 ( -0.348 -1.528 -1.571) 2.219 6.257 ( -0.293 -1.223 0.603) 1.395 6.310 ( -1.497 0.372 0.389) 1.591 6.346 ( 0.071 -0.876 0.031) 0.880 6.373 ( 1.445 2.421 2.558) 3.807 6.426 ( 1.073 -0.877 0.399) 1.442 6.462 ( 0.521 -1.886 -1.512) 2.473 6.511 ( 0.878 -2.054 0.687) 2.336 6.663 ( 3.164 2.239 3.117) 4.974 6.733 ( -2.681 0.361 -4.238) 5.028 6.889 ( 2.710 -0.828 -1.937) 3.432 6.913 ( 1.651 -2.588 1.539) 3.434 7.008 ( -1.796 2.006 1.990) 3.349 7.111 ( -4.412 -2.005 -0.289) 4.855 7.237 ( -0.196 2.642 -0.705) 2.742 7.313 ( 0.644 -1.319 -0.300) 1.499 7.429 ( 0.212 2.523 -0.133) 2.535 7.526 ( 1.844 -0.522 -2.601) 3.231 7.545 ( 0.052 2.131 2.899) 3.599 7.668 ( -0.213 -1.826 -0.356) 1.872 8.377 ( -1.740 4.247 -0.697) 4.642 8.442 ( 0.435 3.572 0.036) 3.599 8.572 ( 1.483 -4.676 -1.297) 5.074 8.663 ( 0.509 -5.059 0.476) 5.107 8.749 ( 2.163 0.844 -1.447) 2.736 8.808 ( 0.165 -0.945 -1.427) 1.720 8.868 ( 0.271 0.716 -0.200) 0.791 8.876 ( 0.081 -0.339 1.984) 2.014 8.914 ( -0.177 1.496 -1.246) 1.954 8.959 ( 0.592 0.758 2.743) 2.906 8.987 ( 0.246 -2.040 -1.700) 2.667 9.005 ( -0.025 0.613 0.339) 0.701 9.063 ( -0.241 -0.370 0.056) 0.445 9.115 ( 0.757 0.216 1.966) 2.117 9.281 ( -2.544 -0.335 -0.250) 2.578 9.303 ( -3.456 0.348 2.731) 4.418 9.519 ( 0.382 3.889 0.119) 3.909 9.641 ( -0.474 2.651 -0.962) 2.859 9.722 ( 0.806 -3.527 0.573) 3.663 9.763 ( 1.072 0.849 -1.675) 2.162 9.814 ( -1.027 -0.986 1.163) 1.838 9.839 ( 0.182 -2.739 -0.396) 2.773 9.966 ( -0.945 1.705 -0.247) 1.965 10.004 ( -0.311 0.452 -0.183) 0.579 ======================= Grid point 7 (6/39) ======================= q-point: ( 0.40 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.504 ( 8.003 1.353 1.108) 8.192 0.582 ( 4.859 1.871 7.726) 9.317 0.657 ( -1.350 -1.107 1.282) 2.166 0.687 ( -0.457 -2.114 -0.906) 2.345 0.707 ( -0.640 -1.583 2.139) 2.737 0.729 ( -0.881 -0.111 -1.857) 2.059 0.760 ( -0.895 -0.833 -2.231) 2.544 0.776 ( 0.312 -1.211 -1.300) 1.804 0.789 ( -2.080 0.213 0.249) 2.105 0.830 ( 1.125 -0.429 0.531) 1.316 0.853 ( -0.094 -0.132 -0.333) 0.371 0.867 ( -0.121 -1.299 0.515) 1.402 0.876 ( 0.348 -1.029 0.055) 1.087 0.882 ( -1.523 1.156 -1.143) 2.228 0.929 ( 0.897 -2.038 0.356) 2.255 0.934 ( 1.672 1.449 -1.728) 2.807 0.958 ( -0.728 -2.415 0.329) 2.544 0.981 ( -0.269 0.185 0.106) 0.343 0.996 ( 0.554 1.118 -0.915) 1.547 1.027 ( 0.119 -0.913 -0.746) 1.185 1.040 ( -1.323 -0.829 0.293) 1.588 1.053 ( 0.105 -0.488 0.348) 0.608 1.085 ( 3.083 1.774 2.687) 4.458 1.104 ( 0.315 0.693 -0.593) 0.965 1.105 ( 1.711 -0.307 0.772) 1.902 1.123 ( -0.229 0.796 -0.333) 0.893 1.129 ( 0.444 0.979 -0.101) 1.080 1.137 ( 0.576 -0.398 -0.231) 0.737 1.158 ( -0.233 0.211 0.421) 0.525 1.170 ( 0.037 0.259 0.732) 0.777 1.176 ( -0.407 0.814 1.347) 1.626 1.194 ( -1.031 0.789 -0.349) 1.345 1.207 ( 0.237 -0.558 -0.171) 0.630 1.227 ( -0.819 0.008 -0.813) 1.154 1.228 ( -0.611 -0.507 -0.236) 0.828 1.254 ( -0.621 0.871 -0.160) 1.081 1.270 ( 2.008 0.765 2.013) 2.944 1.295 ( 0.728 -1.253 -0.089) 1.451 1.303 ( 0.578 0.131 1.022) 1.181 1.314 ( 0.491 0.097 -0.199) 0.538 1.333 ( 0.870 0.881 -0.761) 1.453 1.339 ( 0.052 -1.345 -0.060) 1.348 1.367 ( -1.277 0.915 0.598) 1.681 1.382 ( -2.357 1.208 -2.324) 3.524 1.407 ( -1.171 -0.063 0.584) 1.310 1.423 ( -0.050 0.811 -0.718) 1.084 1.452 ( -1.553 0.810 -0.974) 2.004 1.481 ( 0.104 -1.363 0.504) 1.457 1.489 ( -0.040 -0.792 -0.033) 0.793 1.498 ( -1.094 -0.117 0.412) 1.174 1.520 ( -0.373 0.350 -1.191) 1.297 1.584 ( 1.940 -0.333 1.288) 2.352 1.643 ( 0.852 0.185 0.334) 0.933 1.659 ( 0.589 -0.049 1.035) 1.192 1.676 ( 0.807 0.281 0.630) 1.062 1.683 ( -0.161 -0.032 -0.622) 0.644 1.695 ( 1.850 0.950 -0.041) 2.080 1.705 ( 0.694 0.877 1.864) 2.173 1.713 ( -1.392 1.231 -2.201) 2.881 1.735 ( -0.197 -0.645 -0.918) 1.139 1.767 ( -2.137 1.739 0.214) 2.764 1.809 ( 0.313 0.625 0.196) 0.726 1.847 ( 0.689 -0.429 -0.065) 0.814 1.916 ( -1.515 -1.907 -0.041) 2.436 1.928 ( 0.601 -0.080 -0.089) 0.613 1.947 ( -0.530 -0.731 -1.251) 1.542 1.975 ( -1.495 -1.282 -0.634) 2.069 1.993 ( -1.566 -1.110 0.159) 1.926 2.071 ( 0.931 -0.392 0.036) 1.010 2.107 ( -0.901 -1.680 -1.361) 2.342 2.132 ( -1.291 1.059 -0.754) 1.832 2.174 ( -0.557 -0.435 0.321) 0.776 2.250 ( 0.664 0.665 -0.495) 1.062 2.263 ( 0.639 -0.262 0.373) 0.785 2.285 ( 1.073 0.406 0.587) 1.289 2.307 ( -0.550 -0.482 -0.318) 0.797 2.415 ( 1.578 0.043 1.019) 1.879 2.431 ( 1.462 -0.644 -0.029) 1.598 2.450 ( 0.183 -0.629 -0.267) 0.708 2.471 ( 0.822 -0.657 -0.506) 1.168 2.540 ( -1.950 1.503 -0.845) 2.603 2.568 ( 0.411 2.114 0.293) 2.173 2.620 ( -0.621 -1.767 -0.113) 1.876 2.638 ( -0.160 -1.146 1.488) 1.885 2.661 ( 0.462 0.576 0.283) 0.791 2.671 ( 0.394 0.566 -0.328) 0.763 2.693 ( -0.830 3.025 0.324) 3.154 2.803 ( 1.026 -0.879 0.585) 1.472 2.837 ( -1.850 -0.554 -0.703) 2.055 2.859 ( 1.060 -0.286 0.771) 1.342 2.892 ( -1.461 -1.035 -0.529) 1.866 2.991 ( 0.738 -2.921 0.933) 3.154 3.105 ( -1.206 6.136 -1.018) 6.336 3.202 ( 1.223 4.936 1.116) 5.207 3.359 ( -1.189 -4.024 -0.866) 4.284 3.430 ( 0.289 -4.347 -0.420) 4.377 3.584 ( 0.580 0.538 0.003) 0.792 3.660 ( 0.104 -2.077 0.386) 2.115 3.695 ( -0.317 0.741 -0.483) 0.940 3.715 ( -0.264 0.136 -0.027) 0.298 4.097 ( -0.414 2.957 -0.267) 2.998 4.149 ( -0.539 5.345 -0.029) 5.372 4.199 ( -0.308 -0.702 -0.517) 0.925 4.414 ( 0.645 -5.531 0.137) 5.570 4.628 ( -0.718 9.207 -0.518) 9.249 4.899 ( -0.030 5.571 0.462) 5.590 5.103 ( 0.132 -8.197 0.120) 8.199 5.127 ( 0.236 0.551 0.670) 0.899 5.171 ( -1.023 -2.209 -1.019) 2.639 5.184 ( -0.110 3.367 -0.196) 3.374 5.256 ( -0.208 -3.190 -0.508) 3.237 5.335 ( 0.060 -4.769 0.064) 4.770 5.379 ( -1.239 2.658 0.951) 3.082 5.414 ( 0.235 -1.725 -1.505) 2.302 5.426 ( 0.129 -1.210 -0.081) 1.220 5.505 ( -0.655 -1.237 0.108) 1.404 5.594 ( 0.417 -0.867 0.529) 1.098 5.628 ( 0.812 -4.150 -0.435) 4.251 5.940 ( 0.764 5.941 0.019) 5.990 6.025 ( 0.621 0.201 0.568) 0.865 6.070 ( 0.082 2.015 0.091) 2.019 6.093 ( -1.674 3.174 0.082) 3.589 6.158 ( 1.163 -1.060 -0.377) 1.619 6.216 ( 0.743 0.106 -1.805) 1.955 6.219 ( -1.829 -1.909 1.584) 3.082 6.254 ( 0.645 0.763 -0.610) 1.171 6.278 ( -2.470 1.112 0.896) 2.853 6.362 ( 0.694 -2.559 0.795) 2.769 6.434 ( 2.281 0.978 1.030) 2.688 6.452 ( 0.487 0.341 1.416) 1.536 6.464 ( 0.014 -1.986 0.165) 1.993 6.525 ( 0.191 -1.424 -0.362) 1.481 6.648 ( -1.841 2.531 -2.606) 4.072 6.765 ( 3.963 -1.550 2.063) 4.729 6.905 ( 0.450 -0.155 -1.221) 1.311 6.924 ( -1.160 0.194 -0.066) 1.178 7.004 ( 0.088 0.020 1.134) 1.138 7.037 ( -2.641 -0.751 -0.237) 2.755 7.243 ( 0.522 1.969 -0.081) 2.039 7.318 ( 0.091 -1.870 -0.004) 1.873 7.429 ( -0.020 2.805 0.007) 2.805 7.529 ( 0.382 -1.466 -0.590) 1.626 7.575 ( 0.724 1.824 0.665) 2.072 7.660 ( -0.151 -1.444 -0.252) 1.474 8.352 ( -0.591 4.197 -0.240) 4.245 8.450 ( 0.338 3.628 0.009) 3.644 8.577 ( 0.229 -5.313 -0.408) 5.334 8.670 ( 0.142 -4.240 -0.031) 4.243 8.770 ( 1.298 1.021 -0.750) 1.814 8.797 ( 0.346 -0.570 -1.401) 1.551 8.852 ( -0.806 0.967 0.684) 1.432 8.881 ( -0.677 1.026 -0.447) 1.308 8.935 ( 1.376 -1.339 0.982) 2.157 8.966 ( -0.982 -1.631 -0.088) 1.906 8.993 ( 1.171 0.522 0.722) 1.472 9.044 ( 2.135 1.249 0.572) 2.538 9.054 ( -0.664 -1.869 -0.166) 1.990 9.147 ( 0.578 0.171 1.125) 1.277 9.226 ( -2.567 0.252 -0.064) 2.580 9.269 ( -1.634 1.247 0.475) 2.109 9.527 ( 0.265 4.014 0.081) 4.023 9.628 ( -0.147 2.094 -0.434) 2.144 9.740 ( 0.382 -3.467 0.314) 3.502 9.767 ( 0.805 1.603 -0.946) 2.028 9.803 ( -0.945 -3.330 0.656) 3.523 9.843 ( 0.289 -2.032 -0.029) 2.053 9.947 ( -0.646 1.946 -0.169) 2.058 10.000 ( -0.066 0.473 -0.058) 0.481 ======================= Grid point 10 (7/39) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 26 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.422 ( 0.000 -9.628 0.000) 9.628 0.422 ( 0.000 9.628 0.000) 9.628 0.500 ( 0.000 -8.728 0.000) 8.728 0.500 ( 0.000 8.728 0.000) 8.728 0.751 ( 0.000 -0.724 0.000) 0.724 0.751 ( 0.000 0.724 0.000) 0.724 0.808 ( 0.000 -1.657 0.000) 1.657 0.808 ( 0.000 1.657 0.000) 1.657 0.811 ( 0.000 -0.717 0.000) 0.717 0.811 ( 0.000 0.717 0.000) 0.717 0.886 ( 0.000 -1.429 0.000) 1.429 0.886 ( 0.000 1.429 0.000) 1.429 0.895 ( 0.000 -0.087 0.000) 0.087 0.895 ( 0.000 0.087 0.000) 0.087 0.938 ( 0.000 -0.870 0.000) 0.870 0.938 ( 0.000 0.870 0.000) 0.870 0.981 ( 0.000 -3.102 0.000) 3.102 0.981 ( 0.000 3.102 0.000) 3.102 1.013 ( 0.000 -3.117 0.000) 3.117 1.013 ( 0.000 3.117 0.000) 3.117 1.050 ( 0.000 -0.771 0.000) 0.771 1.050 ( 0.000 0.771 0.000) 0.771 1.060 ( 0.000 -2.306 0.000) 2.306 1.060 ( 0.000 2.306 0.000) 2.306 1.098 ( 0.000 -1.578 0.000) 1.578 1.098 ( 0.000 1.578 0.000) 1.578 1.144 ( 0.000 -1.851 0.000) 1.851 1.144 ( 0.000 1.851 0.000) 1.851 1.159 ( 0.000 -0.663 0.000) 0.663 1.159 ( 0.000 0.663 0.000) 0.663 1.190 ( 0.000 -0.632 0.000) 0.632 1.190 ( 0.000 0.632 0.000) 0.632 1.198 ( 0.000 -0.389 0.000) 0.389 1.198 ( 0.000 0.389 0.000) 0.389 1.239 ( 0.000 -0.658 0.000) 0.658 1.239 ( 0.000 0.658 0.000) 0.658 1.247 ( 0.000 -1.816 0.000) 1.816 1.247 ( 0.000 1.816 0.000) 1.816 1.312 ( 0.000 -0.865 0.000) 0.865 1.312 ( 0.000 0.865 0.000) 0.865 1.349 ( 0.000 -1.753 0.000) 1.753 1.349 ( 0.000 1.753 0.000) 1.753 1.359 ( 0.000 -1.209 0.000) 1.209 1.359 ( 0.000 1.209 0.000) 1.209 1.459 ( 0.000 -0.308 0.000) 0.308 1.459 ( 0.000 0.308 0.000) 0.308 1.498 ( 0.000 -1.164 0.000) 1.164 1.498 ( 0.000 1.164 0.000) 1.164 1.507 ( 0.000 -0.824 0.000) 0.824 1.507 ( 0.000 0.824 0.000) 0.824 1.573 ( 0.000 -0.743 0.000) 0.743 1.573 ( 0.000 0.743 0.000) 0.743 1.605 ( 0.000 -0.323 0.000) 0.323 1.605 ( 0.000 0.323 0.000) 0.323 1.634 ( 0.000 -0.198 0.000) 0.198 1.634 ( 0.000 0.198 0.000) 0.198 1.675 ( 0.000 -3.718 0.000) 3.718 1.675 ( 0.000 3.718 0.000) 3.718 1.715 ( 0.000 -0.448 0.000) 0.448 1.715 ( 0.000 0.448 0.000) 0.448 1.806 ( 0.000 -1.087 0.000) 1.087 1.806 ( 0.000 1.087 0.000) 1.087 1.903 ( 0.000 -3.813 0.000) 3.813 1.903 ( 0.000 3.813 0.000) 3.813 1.966 ( 0.000 -1.597 0.000) 1.597 1.966 ( 0.000 1.597 0.000) 1.597 2.000 ( 0.000 -1.622 0.000) 1.622 2.000 ( 0.000 1.622 0.000) 1.622 2.116 ( 0.000 -0.787 0.000) 0.787 2.116 ( 0.000 0.787 0.000) 0.787 2.196 ( 0.000 -0.505 0.000) 0.505 2.196 ( 0.000 0.505 0.000) 0.505 2.231 ( 0.000 -0.150 0.000) 0.150 2.231 ( 0.000 0.150 0.000) 0.150 2.261 ( 0.000 -0.139 0.000) 0.139 2.261 ( 0.000 0.139 0.000) 0.139 2.386 ( 0.000 -1.601 0.000) 1.601 2.386 ( 0.000 1.601 0.000) 1.601 2.425 ( 0.000 -2.016 0.000) 2.016 2.425 ( 0.000 2.016 0.000) 2.016 2.568 ( 0.000 -0.440 0.000) 0.440 2.568 ( 0.000 0.440 0.000) 0.440 2.625 ( 0.000 -1.137 0.000) 1.137 2.625 ( 0.000 1.137 0.000) 1.137 2.663 ( 0.000 -0.317 0.000) 0.317 2.663 ( 0.000 0.317 0.000) 0.317 2.759 ( 0.000 -0.506 0.000) 0.506 2.759 ( 0.000 0.506 0.000) 0.506 2.860 ( 0.000 -0.926 0.000) 0.926 2.860 ( 0.000 0.926 0.000) 0.926 2.917 ( 0.000 -0.399 0.000) 0.399 2.917 ( 0.000 0.399 0.000) 0.399 3.289 ( 0.000 -7.524 0.000) 7.524 3.289 ( 0.000 7.524 0.000) 7.524 3.315 ( 0.000 -6.005 0.000) 6.005 3.315 ( 0.000 6.005 0.000) 6.005 3.583 ( 0.000 -1.818 0.000) 1.818 3.583 ( 0.000 1.818 0.000) 1.818 3.734 ( 0.000 -0.106 0.000) 0.106 3.734 ( 0.000 0.106 0.000) 0.106 4.172 ( 0.000 -1.862 0.000) 1.862 4.172 ( 0.000 1.862 0.000) 1.862 4.294 ( 0.000 -0.786 0.000) 0.786 4.294 ( 0.000 0.786 0.000) 0.786 4.901 ( 0.000 -7.867 0.000) 7.867 4.901 ( 0.000 7.867 0.000) 7.867 5.079 ( 0.000 -9.771 0.000) 9.771 5.079 ( 0.000 9.771 0.000) 9.771 5.169 ( 0.000 -2.635 0.000) 2.635 5.169 ( 0.000 2.635 0.000) 2.635 5.286 ( 0.000 -2.986 0.000) 2.986 5.286 ( 0.000 2.986 0.000) 2.986 5.396 ( 0.000 -0.086 0.000) 0.086 5.396 ( 0.000 0.086 0.000) 0.086 5.472 ( 0.000 -2.059 0.000) 2.059 5.472 ( 0.000 2.059 0.000) 2.059 5.556 ( 0.000 -1.133 0.000) 1.133 5.556 ( 0.000 1.133 0.000) 1.133 6.012 ( 0.000 -2.014 0.000) 2.014 6.012 ( 0.000 2.014 0.000) 2.014 6.080 ( 0.000 -4.739 0.000) 4.739 6.080 ( 0.000 4.739 0.000) 4.739 6.173 ( 0.000 -2.081 0.000) 2.081 6.173 ( 0.000 2.081 0.000) 2.081 6.242 ( 0.000 -3.182 0.000) 3.182 6.242 ( 0.000 3.182 0.000) 3.182 6.335 ( 0.000 -1.693 0.000) 1.693 6.335 ( 0.000 1.693 0.000) 1.693 6.411 ( 0.000 -2.972 0.000) 2.972 6.411 ( 0.000 2.972 0.000) 2.972 6.440 ( 0.000 -0.143 0.000) 0.143 6.440 ( 0.000 0.143 0.000) 0.143 6.707 ( 0.000 -4.887 0.000) 4.887 6.707 ( 0.000 4.887 0.000) 4.887 6.861 ( 0.000 -0.240 0.000) 0.240 6.861 ( 0.000 0.240 0.000) 0.240 7.085 ( 0.000 -3.601 0.000) 3.601 7.085 ( 0.000 3.601 0.000) 3.601 7.285 ( 0.000 -0.718 0.000) 0.718 7.285 ( 0.000 0.718 0.000) 0.718 7.482 ( 0.000 -2.769 0.000) 2.769 7.482 ( 0.000 2.769 0.000) 2.769 7.608 ( 0.000 -3.887 0.000) 3.887 7.608 ( 0.000 3.887 0.000) 3.887 8.476 ( 0.000 -3.546 0.000) 3.546 8.476 ( 0.000 3.546 0.000) 3.546 8.537 ( 0.000 -5.361 0.000) 5.361 8.537 ( 0.000 5.361 0.000) 5.361 8.783 ( 0.000 -2.702 0.000) 2.702 8.783 ( 0.000 2.702 0.000) 2.702 8.868 ( 0.000 -1.979 0.000) 1.979 8.868 ( 0.000 1.979 0.000) 1.979 8.958 ( 0.000 -0.114 0.000) 0.114 8.958 ( 0.000 0.114 0.000) 0.114 8.970 ( 0.000 -0.035 0.000) 0.035 8.970 ( 0.000 0.035 0.000) 0.035 9.086 ( 0.000 -1.356 0.000) 1.356 9.086 ( 0.000 1.356 0.000) 1.356 9.302 ( 0.000 -0.466 0.000) 0.466 9.302 ( 0.000 0.466 0.000) 0.466 9.613 ( 0.000 -5.006 0.000) 5.006 9.613 ( 0.000 5.006 0.000) 5.006 9.732 ( 0.000 -3.446 0.000) 3.446 9.732 ( 0.000 3.446 0.000) 3.446 9.812 ( 0.000 -0.199 0.000) 0.199 9.812 ( 0.000 0.199 0.000) 0.199 10.004 ( 0.000 -0.723 0.000) 0.723 10.004 ( 0.000 0.723 0.000) 0.723 ======================= Grid point 12 (8/39) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 38 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.469 ( 1.478 -1.051 5.783) 6.061 0.469 ( 1.478 1.051 5.783) 6.061 0.553 ( 4.502 -2.359 1.470) 5.291 0.553 ( 4.502 2.359 1.470) 5.291 0.731 ( -1.158 -0.568 -0.365) 1.340 0.731 ( -1.158 0.568 -0.365) 1.340 0.798 ( -0.179 -1.302 -0.969) 1.633 0.798 ( -0.179 1.302 -0.969) 1.633 0.820 ( -1.253 -1.293 -1.150) 2.137 0.820 ( -1.253 1.293 -1.150) 2.137 0.844 ( -1.544 -1.687 -0.302) 2.307 0.844 ( -1.544 1.687 -0.302) 2.307 0.914 ( 0.263 -0.376 -0.369) 0.589 0.914 ( 0.263 0.376 -0.369) 0.589 0.928 ( 0.871 -1.584 -0.343) 1.840 0.928 ( 0.871 1.584 -0.343) 1.840 0.980 ( -0.712 -2.182 0.416) 2.333 0.980 ( -0.712 2.182 0.416) 2.333 1.021 ( 0.273 -1.322 -0.262) 1.375 1.021 ( 0.273 1.322 -0.262) 1.375 1.032 ( -0.864 -0.916 -0.580) 1.386 1.032 ( -0.864 0.916 -0.580) 1.386 1.088 ( 0.456 -1.549 -0.945) 1.871 1.088 ( 0.456 1.549 -0.945) 1.871 1.104 ( 1.158 -2.586 2.048) 3.496 1.104 ( 1.158 2.586 2.048) 3.496 1.138 ( 0.533 -1.546 -1.588) 2.280 1.138 ( 0.533 1.546 -1.588) 2.280 1.164 ( -0.067 -0.474 1.361) 1.443 1.164 ( -0.067 0.474 1.361) 1.443 1.188 ( -0.226 -0.466 -0.462) 0.694 1.188 ( -0.226 0.466 -0.462) 0.694 1.221 ( 1.475 -0.240 2.021) 2.514 1.221 ( 1.475 0.240 2.021) 2.514 1.236 ( -0.443 -0.682 -1.055) 1.332 1.236 ( -0.443 0.682 -1.055) 1.332 1.253 ( 0.459 -2.561 0.620) 2.675 1.253 ( 0.459 2.561 0.620) 2.675 1.302 ( 0.635 -0.973 -0.370) 1.219 1.302 ( 0.635 0.973 -0.370) 1.219 1.342 ( -1.018 -1.950 1.494) 2.659 1.342 ( -1.018 1.950 1.494) 2.659 1.373 ( 0.723 -2.250 -0.526) 2.421 1.373 ( 0.723 2.250 -0.526) 2.421 1.438 ( -1.259 -1.432 -0.981) 2.145 1.438 ( -1.259 1.432 -0.981) 2.145 1.479 ( -1.468 -1.416 0.276) 2.058 1.479 ( -1.468 1.416 0.276) 2.058 1.516 ( 0.154 -1.373 -1.059) 1.741 1.516 ( 0.154 1.373 -1.059) 1.741 1.548 ( -1.133 -0.802 1.094) 1.768 1.548 ( -1.133 0.802 1.094) 1.768 1.638 ( 0.435 -0.406 1.048) 1.205 1.638 ( 0.435 0.406 1.048) 1.205 1.656 ( 1.175 -0.669 0.327) 1.391 1.656 ( 1.175 0.669 0.327) 1.391 1.690 ( 1.795 -0.807 0.686) 2.084 1.690 ( 1.795 0.807 0.686) 2.084 1.715 ( 1.097 -0.346 -0.968) 1.504 1.715 ( 1.097 0.346 -0.968) 1.504 1.807 ( -0.315 -0.835 0.283) 0.936 1.807 ( -0.315 0.835 0.283) 0.936 1.887 ( -1.339 -3.321 -0.293) 3.593 1.887 ( -1.339 3.321 -0.293) 3.593 1.939 ( -0.997 -1.423 -1.768) 2.479 1.939 ( -0.997 1.423 -1.768) 2.479 2.006 ( -0.229 -0.890 0.539) 1.066 2.006 ( -0.229 0.890 0.539) 1.066 2.103 ( -1.348 -1.322 -0.814) 2.056 2.103 ( -1.348 1.322 -0.814) 2.056 2.181 ( -1.128 -1.608 -1.816) 2.675 2.181 ( -1.128 1.608 -1.816) 2.675 2.231 ( 2.059 -0.649 0.137) 2.163 2.231 ( 2.059 0.649 0.137) 2.163 2.291 ( 0.686 -1.155 0.593) 1.468 2.291 ( 0.686 1.155 0.593) 1.468 2.391 ( 1.045 -1.216 -0.050) 1.605 2.391 ( 1.045 1.216 -0.050) 1.605 2.435 ( 0.533 -1.317 0.755) 1.609 2.435 ( 0.533 1.317 0.755) 1.609 2.580 ( 0.693 -0.933 1.117) 1.611 2.580 ( 0.693 0.933 1.117) 1.611 2.614 ( -1.447 -1.299 0.066) 1.946 2.614 ( -1.447 1.299 0.066) 1.946 2.664 ( 0.290 -0.647 0.162) 0.728 2.664 ( 0.290 0.647 0.162) 0.728 2.755 ( -0.654 -1.556 0.832) 1.882 2.755 ( -0.654 1.556 0.832) 1.882 2.862 ( -0.181 -0.763 -0.344) 0.856 2.862 ( -0.181 0.763 -0.344) 0.856 2.914 ( -0.231 -1.166 0.577) 1.321 2.914 ( -0.231 1.166 0.577) 1.321 3.287 ( -1.564 -5.838 -0.843) 6.102 3.287 ( -1.564 5.838 -0.843) 6.102 3.302 ( 0.860 -6.898 -0.477) 6.968 3.302 ( 0.860 6.898 -0.477) 6.968 3.595 ( 0.911 -2.075 0.367) 2.296 3.595 ( 0.911 2.075 0.367) 2.296 3.725 ( -0.631 -0.326 -0.462) 0.847 3.725 ( -0.631 0.326 -0.462) 0.847 4.168 ( -0.379 -1.962 -0.078) 1.999 4.168 ( -0.379 1.962 -0.078) 1.999 4.291 ( -0.117 -3.939 -0.405) 3.962 4.291 ( -0.117 3.939 -0.405) 3.962 4.884 ( -1.050 -10.334 -0.606) 10.405 4.884 ( -1.050 10.334 -0.606) 10.405 5.077 ( 0.222 -10.054 -0.714) 10.082 5.077 ( 0.222 10.054 -0.714) 10.082 5.157 ( -0.812 -2.093 -0.308) 2.266 5.157 ( -0.812 2.093 -0.308) 2.266 5.276 ( -0.860 -3.009 0.042) 3.130 5.276 ( -0.860 3.009 0.042) 3.130 5.389 ( -0.616 -1.404 0.897) 1.776 5.389 ( -0.616 1.404 0.897) 1.776 5.486 ( 0.675 -3.360 -0.536) 3.469 5.486 ( 0.675 3.360 -0.536) 3.469 5.558 ( 0.523 -1.115 -0.413) 1.299 5.558 ( 0.523 1.115 -0.413) 1.299 6.005 ( 1.654 -1.718 -1.641) 2.895 6.005 ( 1.654 1.718 -1.641) 2.895 6.117 ( -0.545 -3.050 2.643) 4.073 6.117 ( -0.545 3.050 2.643) 4.073 6.176 ( 0.335 -2.747 -0.174) 2.773 6.176 ( 0.335 2.747 -0.174) 2.773 6.237 ( -0.094 -2.523 0.160) 2.529 6.237 ( -0.094 2.523 0.160) 2.529 6.319 ( -1.513 -1.040 0.764) 1.989 6.319 ( -1.513 1.040 0.764) 1.989 6.422 ( 0.435 -0.453 0.611) 0.876 6.422 ( 0.435 0.453 0.611) 0.876 6.448 ( 1.262 -2.346 0.494) 2.709 6.448 ( 1.262 2.346 0.494) 2.709 6.716 ( 0.730 -2.104 -0.827) 2.375 6.716 ( 0.730 2.104 -0.827) 2.375 6.879 ( 2.042 -0.261 -0.149) 2.064 6.879 ( 2.042 0.261 -0.149) 2.064 7.058 ( -2.972 -2.609 0.831) 4.041 7.058 ( -2.972 2.609 0.831) 4.041 7.284 ( 0.290 -1.683 -0.601) 1.810 7.284 ( 0.290 1.683 -0.601) 1.810 7.484 ( 0.316 -2.530 -0.221) 2.559 7.484 ( 0.316 2.530 -0.221) 2.559 7.613 ( 0.390 -3.196 0.054) 3.220 7.613 ( 0.390 3.196 0.054) 3.220 8.471 ( -0.443 -4.483 -0.290) 4.514 8.471 ( -0.443 4.483 -0.290) 4.514 8.545 ( 0.720 -5.460 -0.004) 5.507 8.545 ( 0.720 5.460 -0.004) 5.507 8.777 ( 1.003 -1.719 -1.864) 2.727 8.777 ( 1.003 1.719 -1.864) 2.727 8.879 ( -0.125 -0.458 1.142) 1.237 8.879 ( -0.125 0.458 1.142) 1.237 8.947 ( -0.316 -1.638 -0.793) 1.847 8.947 ( -0.316 1.638 -0.793) 1.847 8.983 ( 0.908 -1.648 0.692) 2.005 8.983 ( 0.908 1.648 0.692) 2.005 9.091 ( -0.308 -2.102 1.516) 2.609 9.091 ( -0.308 2.102 1.516) 2.609 9.289 ( -1.828 -1.033 0.653) 2.199 9.289 ( -1.828 1.033 0.653) 2.199 9.621 ( 0.601 -5.138 0.248) 5.179 9.621 ( 0.601 5.138 0.248) 5.179 9.722 ( -0.251 -3.970 -1.292) 4.183 9.722 ( -0.251 3.970 -1.292) 4.183 9.811 ( -0.249 -0.972 0.312) 1.050 9.811 ( -0.249 0.972 0.312) 1.050 9.997 ( -0.451 -0.987 -0.234) 1.110 9.997 ( -0.451 0.987 -0.234) 1.110 ======================= Grid point 14 (9/39) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 38 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.566 ( 3.213 -3.589 3.162) 5.762 0.566 ( 3.213 3.589 3.162) 5.762 0.645 ( 1.128 -1.640 1.672) 2.599 0.645 ( 1.128 1.640 1.672) 2.599 0.701 ( -1.070 -1.766 -0.283) 2.085 0.701 ( -1.070 1.766 -0.283) 2.085 0.770 ( 0.113 -1.082 -0.064) 1.090 0.770 ( 0.113 1.082 -0.064) 1.090 0.802 ( -0.284 -2.163 -0.617) 2.267 0.802 ( -0.284 2.163 -0.617) 2.267 0.842 ( 0.259 -0.680 0.531) 0.900 0.842 ( 0.259 0.680 0.531) 0.900 0.874 ( -2.006 -2.001 -0.618) 2.899 0.874 ( -2.006 2.001 -0.618) 2.899 0.926 ( -0.088 -0.470 -2.631) 2.674 0.926 ( -0.088 0.470 -2.631) 2.674 0.976 ( -0.080 -1.047 0.197) 1.069 0.976 ( -0.080 1.047 0.197) 1.069 1.010 ( -0.487 -0.253 -0.321) 0.636 1.010 ( -0.487 0.253 -0.321) 0.636 1.040 ( 0.487 -0.659 0.304) 0.874 1.040 ( 0.487 0.659 0.304) 0.874 1.099 ( 1.125 -0.242 0.509) 1.259 1.099 ( 1.125 0.242 0.509) 1.259 1.120 ( 0.203 -0.857 -0.253) 0.916 1.120 ( 0.203 0.857 -0.253) 0.916 1.144 ( 0.229 -0.536 0.062) 0.586 1.144 ( 0.229 0.536 0.062) 0.586 1.167 ( -0.181 -0.360 0.665) 0.777 1.167 ( -0.181 0.360 0.665) 0.777 1.186 ( 0.203 -0.666 0.161) 0.715 1.186 ( 0.203 0.666 0.161) 0.715 1.222 ( 0.045 -0.148 -0.867) 0.881 1.222 ( 0.045 0.148 -0.867) 0.881 1.250 ( -1.070 -2.812 0.606) 3.069 1.250 ( -1.070 2.812 0.606) 3.069 1.271 ( 0.305 -0.584 0.818) 1.050 1.271 ( 0.305 0.584 0.818) 1.050 1.304 ( 0.043 -1.351 -0.085) 1.354 1.304 ( 0.043 1.351 -0.085) 1.354 1.354 ( 1.903 -1.631 -0.381) 2.536 1.354 ( 1.903 1.631 -0.381) 2.536 1.384 ( 0.557 -0.914 1.223) 1.625 1.384 ( 0.557 0.914 1.223) 1.625 1.426 ( -1.415 -1.327 -0.886) 2.132 1.426 ( -1.415 1.327 -0.886) 2.132 1.444 ( -0.120 -0.600 0.192) 0.641 1.444 ( -0.120 0.600 0.192) 0.641 1.494 ( -1.706 -0.831 -0.235) 1.912 1.494 ( -1.706 0.831 -0.235) 1.912 1.549 ( 0.361 -2.300 0.367) 2.356 1.549 ( 0.361 2.300 0.367) 2.356 1.662 ( 0.512 -0.537 0.944) 1.200 1.662 ( 0.512 0.537 0.944) 1.200 1.666 ( 0.538 -0.673 0.127) 0.871 1.666 ( 0.538 0.673 0.127) 0.871 1.717 ( 0.505 -0.866 -0.912) 1.356 1.717 ( 0.505 0.866 -0.912) 1.356 1.736 ( 1.122 -0.273 -0.051) 1.156 1.736 ( 1.122 0.273 -0.051) 1.156 1.803 ( -0.227 -1.090 0.474) 1.210 1.803 ( -0.227 1.090 0.474) 1.210 1.863 ( -0.831 -2.175 -0.019) 2.328 1.863 ( -0.831 2.175 -0.019) 2.328 1.919 ( 0.599 -0.376 -0.988) 1.215 1.919 ( 0.599 0.376 -0.988) 1.215 1.981 ( -2.488 -0.853 -0.133) 2.633 1.981 ( -2.488 0.853 -0.133) 2.633 2.077 ( 0.169 -0.925 -0.733) 1.192 2.077 ( 0.169 0.925 -0.733) 1.192 2.153 ( -0.675 -1.128 -0.656) 1.469 2.153 ( -0.675 1.128 -0.656) 1.469 2.259 ( 0.674 -0.277 0.079) 0.733 2.259 ( 0.674 0.277 0.079) 0.733 2.296 ( -0.088 -0.551 0.123) 0.571 2.296 ( -0.088 0.551 0.123) 0.571 2.419 ( 1.149 -0.352 0.189) 1.217 2.419 ( 1.149 0.352 0.189) 1.217 2.454 ( 0.897 -0.736 0.272) 1.192 2.454 ( 0.897 0.736 0.272) 1.192 2.580 ( -1.585 -1.952 -0.227) 2.524 2.580 ( -1.585 1.952 -0.227) 2.524 2.609 ( 0.599 -1.561 1.412) 2.189 2.609 ( 0.599 1.561 1.412) 2.189 2.670 ( 0.290 -0.355 -0.651) 0.796 2.670 ( 0.290 0.355 -0.651) 0.796 2.764 ( 0.371 -2.987 1.563) 3.391 2.764 ( 0.371 2.987 1.563) 3.391 2.834 ( -1.463 -0.521 -1.169) 1.943 2.834 ( -1.463 0.521 -1.169) 1.943 2.928 ( 0.516 -2.803 0.650) 2.923 2.928 ( 0.516 2.803 0.650) 2.923 3.242 ( -1.228 -6.398 -1.129) 6.612 3.242 ( -1.228 6.398 -1.129) 6.612 3.320 ( 0.650 -5.700 0.135) 5.739 3.320 ( 0.650 5.700 0.135) 5.739 3.613 ( 0.517 -2.048 0.210) 2.123 3.613 ( 0.517 2.048 0.210) 2.123 3.710 ( -0.415 -0.566 -0.265) 0.751 3.710 ( -0.415 0.566 -0.265) 0.751 4.160 ( -0.251 -2.452 -0.105) 2.467 4.160 ( -0.251 2.452 -0.105) 2.467 4.283 ( -0.207 -6.336 -0.325) 6.347 4.283 ( -0.207 6.336 -0.325) 6.347 4.866 ( -0.367 -12.194 -0.227) 12.202 4.866 ( -0.367 12.194 -0.227) 12.202 5.074 ( 0.027 -9.994 -0.216) 9.996 5.074 ( 0.027 9.994 -0.216) 9.996 5.144 ( -0.240 -1.028 -0.158) 1.068 5.144 ( -0.240 1.028 -0.158) 1.068 5.264 ( -0.460 -3.493 0.057) 3.524 5.264 ( -0.460 3.493 0.057) 3.524 5.393 ( -0.035 -1.217 0.578) 1.347 5.393 ( -0.035 1.217 0.578) 1.347 5.479 ( -0.252 -4.121 -0.617) 4.175 5.479 ( -0.252 4.121 -0.617) 4.175 5.565 ( 0.495 -0.739 -0.239) 0.921 5.565 ( 0.495 0.739 -0.239) 0.921 6.031 ( 1.345 -0.854 -0.156) 1.601 6.031 ( 1.345 0.854 -0.156) 1.601 6.115 ( -0.619 -1.606 0.619) 1.829 6.115 ( -0.619 1.606 0.619) 1.829 6.154 ( -0.979 -1.810 -0.828) 2.218 6.154 ( -0.979 1.810 -0.828) 2.218 6.255 ( 0.393 -1.569 0.461) 1.682 6.255 ( 0.393 1.569 0.461) 1.682 6.307 ( -0.583 -2.097 0.713) 2.290 6.307 ( -0.583 2.097 0.713) 2.290 6.436 ( 0.751 -0.239 -0.195) 0.812 6.436 ( 0.751 0.239 -0.195) 0.812 6.483 ( 0.647 -2.041 1.359) 2.536 6.483 ( 0.647 2.041 1.359) 2.536 6.712 ( 0.338 -3.111 -1.089) 3.313 6.712 ( 0.338 3.111 -1.089) 3.313 6.915 ( 1.277 -0.815 0.050) 1.515 6.915 ( 1.277 0.815 0.050) 1.515 7.017 ( -1.810 -1.012 0.534) 2.141 7.017 ( -1.810 1.012 0.534) 2.141 7.283 ( 0.124 -1.681 -0.201) 1.698 7.283 ( 0.124 1.681 -0.201) 1.698 7.486 ( 0.080 -2.449 -0.130) 2.454 7.486 ( 0.080 2.449 -0.130) 2.454 7.620 ( 0.274 -2.183 -0.018) 2.201 7.620 ( 0.274 2.183 -0.018) 2.201 8.459 ( -0.355 -5.505 -0.227) 5.521 8.459 ( -0.355 5.505 -0.227) 5.521 8.555 ( 0.347 -5.738 -0.034) 5.749 8.555 ( 0.347 5.738 -0.034) 5.749 8.786 ( 1.208 -0.619 -0.972) 1.669 8.786 ( 1.208 0.619 -0.972) 1.669 8.876 ( -0.806 -1.146 0.436) 1.467 8.876 ( -0.806 1.146 0.436) 1.467 8.936 ( -0.297 -1.026 -0.059) 1.070 8.936 ( -0.297 1.026 -0.059) 1.070 9.013 ( 1.442 -1.377 0.117) 1.997 9.013 ( 1.442 1.377 0.117) 1.997 9.101 ( -0.415 -3.284 1.286) 3.552 9.101 ( -0.415 3.284 1.286) 3.552 9.260 ( -1.275 -1.777 0.039) 2.188 9.260 ( -1.275 1.777 0.039) 2.188 9.635 ( 0.528 -5.530 0.244) 5.560 9.635 ( 0.528 5.530 0.244) 5.560 9.703 ( -0.332 -4.402 -0.784) 4.483 9.703 ( -0.332 4.402 -0.784) 4.483 9.810 ( -0.076 -1.655 0.179) 1.667 9.810 ( -0.076 1.655 0.179) 1.667 9.988 ( -0.251 -1.473 -0.119) 1.499 9.988 ( -0.251 1.473 -0.119) 1.499 ======================= Grid point 25 (10/39) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.178 ( -3.108 0.000 9.090) 9.606 0.218 ( 2.277 0.000 10.776) 11.014 0.536 ( -2.716 0.000 24.887) 25.035 0.659 ( 2.859 0.000 -5.103) 5.849 0.705 ( 1.087 0.000 -2.332) 2.572 0.710 ( -0.409 0.000 -3.850) 3.872 0.763 ( -0.149 0.000 0.564) 0.584 0.770 ( 1.436 0.000 -1.183) 1.861 0.804 ( -1.018 0.000 0.422) 1.102 0.838 ( -1.175 0.000 -3.589) 3.776 0.839 ( 0.235 0.000 1.541) 1.559 0.870 ( -1.715 0.000 0.995) 1.983 0.898 ( 0.857 0.000 -0.242) 0.891 0.915 ( -1.551 0.000 0.109) 1.555 0.933 ( 0.777 0.000 3.022) 3.121 0.950 ( -2.697 0.000 -0.615) 2.766 0.961 ( 0.107 0.000 -0.343) 0.359 0.989 ( 2.631 0.000 -0.530) 2.684 0.994 ( 0.434 0.000 2.147) 2.191 1.040 ( -0.399 0.000 1.518) 1.570 1.043 ( 2.912 0.000 1.605) 3.325 1.059 ( -0.701 0.000 0.411) 0.813 1.064 ( -1.908 0.000 -3.497) 3.984 1.084 ( 0.401 0.000 0.019) 0.402 1.104 ( 0.183 0.000 -0.182) 0.258 1.123 ( 1.133 0.000 -0.838) 1.409 1.133 ( 2.874 0.000 -0.187) 2.880 1.152 ( -2.445 0.000 1.258) 2.750 1.152 ( -0.352 0.000 -1.157) 1.210 1.181 ( -2.924 0.000 0.548) 2.975 1.194 ( -0.540 0.000 0.918) 1.065 1.195 ( 1.105 0.000 0.149) 1.115 1.214 ( 1.495 0.000 1.317) 1.993 1.241 ( -1.092 0.000 1.632) 1.964 1.251 ( 0.370 0.000 0.863) 0.939 1.265 ( 0.074 0.000 -1.323) 1.325 1.266 ( -1.149 0.000 -0.351) 1.201 1.272 ( 0.893 0.000 -2.018) 2.206 1.291 ( -0.327 0.000 1.251) 1.293 1.306 ( 0.719 0.000 -0.332) 0.792 1.342 ( -0.522 0.000 -1.621) 1.703 1.346 ( -1.510 0.000 -0.788) 1.703 1.409 ( -0.438 0.000 0.541) 0.696 1.414 ( -0.519 0.000 0.585) 0.782 1.443 ( 1.087 0.000 0.596) 1.240 1.445 ( 0.520 0.000 0.489) 0.713 1.446 ( 1.269 0.000 -0.948) 1.584 1.476 ( -1.190 0.000 2.762) 3.008 1.502 ( 2.057 0.000 0.331) 2.084 1.511 ( -1.063 0.000 -1.930) 2.203 1.548 ( -1.390 0.000 -0.338) 1.431 1.601 ( 0.290 0.000 0.878) 0.925 1.602 ( -0.304 0.000 -1.366) 1.399 1.618 ( 0.291 0.000 1.233) 1.267 1.625 ( -0.356 0.000 0.154) 0.388 1.676 ( -0.146 0.000 0.318) 0.350 1.683 ( -0.173 0.000 -0.417) 0.451 1.690 ( -1.865 0.000 1.122) 2.177 1.722 ( 1.812 0.000 1.051) 2.095 1.752 ( -2.137 0.000 2.527) 3.309 1.783 ( 0.342 0.000 -1.544) 1.581 1.798 ( 0.188 0.000 1.879) 1.888 1.835 ( -3.282 0.000 0.582) 3.333 1.930 ( 1.316 0.000 -1.858) 2.277 1.978 ( -0.889 0.000 0.733) 1.152 2.019 ( -1.223 0.000 -1.060) 1.619 2.030 ( -0.691 0.000 -0.555) 0.886 2.074 ( -0.496 0.000 0.987) 1.105 2.100 ( 1.064 0.000 -0.578) 1.210 2.127 ( 1.156 0.000 -2.334) 2.605 2.159 ( 0.943 0.000 -0.766) 1.215 2.168 ( -0.664 0.000 -0.884) 1.105 2.212 ( -0.848 0.000 -1.938) 2.116 2.221 ( 0.515 0.000 0.815) 0.964 2.274 ( 0.823 0.000 1.020) 1.310 2.282 ( 0.187 0.000 -0.073) 0.201 2.378 ( 0.785 0.000 -0.376) 0.871 2.384 ( -0.646 0.000 0.654) 0.919 2.445 ( 0.127 0.000 -0.586) 0.599 2.464 ( -0.560 0.000 -1.871) 1.953 2.507 ( 0.122 0.000 -1.153) 1.159 2.595 ( 1.546 0.000 0.054) 1.547 2.596 ( 1.987 0.000 -1.911) 2.757 2.627 ( -1.542 0.000 -0.076) 1.544 2.637 ( 0.897 0.000 -1.653) 1.881 2.716 ( -1.818 0.000 -1.898) 2.628 2.722 ( -0.908 0.000 3.506) 3.621 2.780 ( 0.806 0.000 -0.084) 0.811 2.830 ( -0.210 0.000 -0.108) 0.236 2.904 ( 0.206 0.000 -1.605) 1.618 2.978 ( 1.241 0.000 1.753) 2.148 2.980 ( -0.804 0.000 1.243) 1.480 3.037 ( 4.070 0.000 3.788) 5.560 3.102 ( -1.125 0.000 -1.808) 2.130 3.430 ( -0.231 0.000 1.023) 1.049 3.456 ( 0.599 0.000 -2.136) 2.219 3.602 ( -1.322 0.000 -0.142) 1.330 3.696 ( 0.071 0.000 -1.589) 1.591 3.699 ( -0.144 0.000 0.964) 0.974 3.754 ( -1.678 0.000 0.009) 1.678 4.080 ( -0.212 0.000 -0.227) 0.311 4.091 ( -0.178 0.000 -0.486) 0.518 4.227 ( -1.105 0.000 1.122) 1.575 4.317 ( 9.429 0.000 -1.108) 9.494 4.503 ( -0.456 0.000 2.275) 2.320 4.754 ( 3.891 0.000 -5.444) 6.692 5.107 ( -0.116 0.000 1.249) 1.254 5.125 ( -0.214 0.000 0.669) 0.702 5.269 ( -0.499 0.000 -1.156) 1.259 5.296 ( -0.702 0.000 -2.324) 2.428 5.371 ( 0.091 0.000 4.201) 4.202 5.408 ( -1.848 0.000 -2.126) 2.817 5.423 ( -4.251 0.000 -0.262) 4.259 5.465 ( -1.516 0.000 0.058) 1.517 5.472 ( -3.582 0.000 2.232) 4.221 5.521 ( 1.633 0.000 0.902) 1.866 5.581 ( -0.111 0.000 3.325) 3.327 5.657 ( 1.605 0.000 1.297) 2.064 5.791 ( 7.174 0.000 -1.227) 7.278 5.976 ( 0.310 0.000 -1.237) 1.275 6.019 ( 0.934 0.000 0.689) 1.161 6.072 ( 0.834 0.000 -3.291) 3.396 6.123 ( 1.595 0.000 -2.095) 2.633 6.141 ( 3.332 0.000 -2.906) 4.421 6.273 ( 2.615 0.000 1.459) 2.995 6.290 ( -2.665 0.000 -0.350) 2.688 6.304 ( 0.272 0.000 2.199) 2.216 6.341 ( 1.396 0.000 2.493) 2.858 6.347 ( -1.583 0.000 0.550) 1.676 6.403 ( 2.739 0.000 -0.476) 2.780 6.462 ( -0.219 0.000 -2.476) 2.486 6.522 ( 0.355 0.000 -0.873) 0.942 6.630 ( 2.777 0.000 4.180) 5.019 6.805 ( -4.130 0.000 -3.523) 5.428 6.890 ( -3.382 0.000 -0.299) 3.395 6.967 ( -0.495 0.000 -1.722) 1.792 7.035 ( -0.481 0.000 4.203) 4.231 7.177 ( -0.429 0.000 -0.476) 0.641 7.209 ( -0.640 0.000 2.458) 2.540 7.391 ( 0.236 0.000 -1.361) 1.382 7.410 ( -3.540 0.000 0.128) 3.543 7.418 ( 1.371 0.000 -1.870) 2.319 7.590 ( -1.243 0.000 3.111) 3.350 7.691 ( -0.683 0.000 -0.270) 0.734 8.329 ( -0.770 0.000 0.737) 1.066 8.390 ( 0.617 0.000 -0.780) 0.995 8.628 ( -3.085 0.000 1.044) 3.256 8.698 ( -0.125 0.000 -0.031) 0.129 8.742 ( -0.035 0.000 -1.797) 1.797 8.796 ( -0.820 0.000 -3.556) 3.650 8.873 ( 1.554 0.000 0.311) 1.585 8.875 ( -0.990 0.000 0.282) 1.029 8.901 ( -1.571 0.000 2.312) 2.795 8.946 ( -0.026 0.000 1.017) 1.017 8.999 ( 0.040 0.000 -2.536) 2.536 9.028 ( -1.679 0.000 1.863) 2.508 9.060 ( 1.506 0.000 -0.622) 1.630 9.104 ( 1.009 0.000 1.656) 1.939 9.268 ( 6.927 0.000 -0.832) 6.977 9.310 ( 1.041 0.000 -1.709) 2.001 9.490 ( -1.177 0.000 1.901) 2.236 9.607 ( 0.675 0.000 -1.284) 1.450 9.757 ( 0.552 0.000 0.505) 0.748 9.790 ( -3.238 0.000 -1.034) 3.399 9.862 ( -2.455 0.000 2.211) 3.304 9.887 ( -0.406 0.000 -0.071) 0.412 9.952 ( 2.560 0.000 -1.069) 2.774 9.958 ( 0.057 0.000 -0.538) 0.541 ======================= Grid point 26 (11/39) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.353 ( 10.455 0.000 3.730) 11.101 0.428 ( 7.816 0.000 7.980) 11.170 0.660 ( 1.048 0.000 -4.164) 4.294 0.664 ( 3.431 0.000 -4.637) 5.768 0.715 ( 0.930 0.000 -0.549) 1.079 0.734 ( 2.883 0.000 0.080) 2.884 0.769 ( -1.304 0.000 -4.769) 4.945 0.789 ( 1.410 0.000 -0.820) 1.631 0.790 ( -1.995 0.000 0.386) 2.032 0.842 ( 3.090 0.000 11.615) 12.020 0.844 ( -1.526 0.000 0.673) 1.668 0.860 ( -0.317 0.000 0.686) 0.756 0.893 ( -1.353 0.000 2.751) 3.065 0.909 ( -0.978 0.000 0.116) 0.985 0.914 ( -0.657 0.000 1.411) 1.556 0.961 ( 0.197 0.000 -0.263) 0.329 0.975 ( 0.908 0.000 1.325) 1.606 1.005 ( -1.215 0.000 -0.904) 1.514 1.015 ( -0.253 0.000 1.129) 1.157 1.041 ( 0.560 0.000 0.786) 0.965 1.042 ( 1.808 0.000 2.024) 2.714 1.062 ( -0.547 0.000 -0.329) 0.638 1.079 ( -2.174 0.000 1.531) 2.659 1.082 ( 0.060 0.000 2.186) 2.187 1.098 ( -0.427 0.000 -0.133) 0.447 1.110 ( 0.181 0.000 -1.400) 1.412 1.118 ( -0.768 0.000 -1.393) 1.591 1.134 ( -0.413 0.000 0.842) 0.938 1.147 ( 0.459 0.000 -0.799) 0.922 1.182 ( 0.172 0.000 0.118) 0.209 1.208 ( 0.527 0.000 -0.750) 0.917 1.209 ( -1.213 0.000 -3.223) 3.444 1.225 ( -1.912 0.000 0.500) 1.977 1.227 ( 0.868 0.000 3.095) 3.215 1.239 ( -0.753 0.000 -0.041) 0.754 1.250 ( 0.351 0.000 -0.706) 0.788 1.261 ( 1.153 0.000 0.739) 1.369 1.265 ( 0.020 0.000 2.034) 2.034 1.309 ( -0.509 0.000 0.751) 0.907 1.322 ( 0.948 0.000 -0.224) 0.974 1.326 ( -0.081 0.000 -0.781) 0.785 1.334 ( 0.974 0.000 1.507) 1.794 1.388 ( -2.014 0.000 0.001) 2.014 1.407 ( -0.043 0.000 -0.774) 0.775 1.425 ( -1.154 0.000 -0.185) 1.169 1.458 ( -3.210 0.000 -0.717) 3.289 1.473 ( -0.939 0.000 0.298) 0.985 1.490 ( -0.547 0.000 1.049) 1.183 1.492 ( 0.263 0.000 2.326) 2.341 1.496 ( 0.857 0.000 -0.773) 1.154 1.524 ( -2.599 0.000 -2.327) 3.489 1.574 ( 0.754 0.000 2.197) 2.323 1.606 ( 1.647 0.000 -3.213) 3.611 1.628 ( 0.426 0.000 0.306) 0.525 1.651 ( 1.248 0.000 0.567) 1.371 1.679 ( 0.327 0.000 0.438) 0.547 1.684 ( 0.289 0.000 -0.302) 0.418 1.704 ( 0.194 0.000 1.629) 1.641 1.731 ( -0.556 0.000 -1.748) 1.834 1.750 ( -1.118 0.000 2.772) 2.989 1.753 ( -0.540 0.000 -1.910) 1.984 1.808 ( -1.224 0.000 1.037) 1.604 1.851 ( 1.277 0.000 2.710) 2.996 1.924 ( 0.746 0.000 -2.297) 2.415 1.953 ( -2.270 0.000 0.846) 2.423 1.989 ( -2.376 0.000 0.288) 2.393 2.002 ( -0.495 0.000 -1.868) 1.933 2.063 ( -2.048 0.000 0.997) 2.277 2.081 ( -0.736 0.000 -1.151) 1.366 2.099 ( -1.086 0.000 -0.495) 1.193 2.163 ( -1.127 0.000 -2.960) 3.168 2.170 ( -0.430 0.000 -1.159) 1.236 2.208 ( 3.900 0.000 0.635) 3.951 2.226 ( 0.998 0.000 -1.049) 1.448 2.291 ( 0.039 0.000 2.000) 2.001 2.298 ( 1.118 0.000 -0.501) 1.225 2.389 ( 1.258 0.000 -0.308) 1.295 2.406 ( 2.190 0.000 0.289) 2.209 2.451 ( 0.829 0.000 -0.750) 1.118 2.453 ( 0.599 0.000 -0.930) 1.106 2.498 ( -0.164 0.000 -0.897) 0.912 2.587 ( -1.685 0.000 0.995) 1.957 2.604 ( 1.727 0.000 -2.956) 3.423 2.637 ( 0.947 0.000 0.293) 0.992 2.639 ( 0.886 0.000 -1.578) 1.810 2.670 ( -1.241 0.000 -0.377) 1.297 2.718 ( -2.305 0.000 1.945) 3.016 2.794 ( 0.778 0.000 -0.478) 0.913 2.837 ( 0.740 0.000 0.435) 0.858 2.875 ( -1.377 0.000 -1.068) 1.743 2.971 ( -1.436 0.000 1.190) 1.865 3.022 ( 0.898 0.000 2.264) 2.436 3.043 ( -2.386 0.000 -1.980) 3.101 3.120 ( 2.129 0.000 1.394) 2.545 3.417 ( -1.393 0.000 -0.843) 1.628 3.461 ( 1.409 0.000 -0.881) 1.662 3.587 ( -0.363 0.000 0.981) 1.046 3.678 ( 0.027 0.000 -1.469) 1.470 3.704 ( -0.609 0.000 1.071) 1.232 3.727 ( -1.361 0.000 0.753) 1.556 4.070 ( -0.594 0.000 -0.225) 0.635 4.080 ( -0.404 0.000 -0.286) 0.495 4.217 ( -0.820 0.000 0.520) 0.971 4.423 ( 5.383 0.000 -4.482) 7.005 4.516 ( -0.624 0.000 1.782) 1.888 4.763 ( 3.497 0.000 -5.922) 6.877 5.121 ( 0.089 0.000 1.011) 1.015 5.137 ( 0.147 0.000 1.578) 1.585 5.238 ( -2.225 0.000 -1.929) 2.945 5.249 ( -0.091 0.000 -0.846) 0.851 5.339 ( -6.528 0.000 7.750) 10.133 5.356 ( -1.726 0.000 -1.171) 2.086 5.416 ( 0.778 0.000 -0.491) 0.920 5.436 ( -1.595 0.000 0.928) 1.845 5.461 ( -0.476 0.000 1.003) 1.110 5.555 ( 1.005 0.000 0.399) 1.081 5.610 ( -0.174 0.000 2.199) 2.206 5.665 ( -1.340 0.000 1.038) 1.695 5.858 ( 3.353 0.000 -2.157) 3.987 5.969 ( 0.822 0.000 -1.809) 1.987 6.046 ( 1.041 0.000 0.237) 1.067 6.049 ( -0.154 0.000 -1.886) 1.893 6.129 ( 2.121 0.000 -2.378) 3.187 6.139 ( 1.809 0.000 -4.666) 5.005 6.256 ( -0.763 0.000 -0.086) 0.768 6.307 ( -2.536 0.000 0.825) 2.667 6.308 ( -0.424 0.000 0.125) 0.442 6.366 ( 2.205 0.000 2.009) 2.983 6.397 ( 1.513 0.000 1.988) 2.498 6.447 ( 1.891 0.000 -0.801) 2.053 6.468 ( 2.927 0.000 -0.923) 3.069 6.500 ( -1.084 0.000 -1.997) 2.272 6.664 ( -5.571 0.000 -2.324) 6.036 6.737 ( 3.821 0.000 3.929) 5.481 6.884 ( 1.150 0.000 0.995) 1.520 6.944 ( -0.287 0.000 -1.093) 1.130 7.057 ( -2.042 0.000 3.837) 4.346 7.106 ( -5.218 0.000 -1.433) 5.412 7.227 ( -0.449 0.000 2.666) 2.704 7.372 ( -0.207 0.000 -1.834) 1.846 7.378 ( -0.769 0.000 1.667) 1.835 7.454 ( 3.558 0.000 -1.752) 3.966 7.609 ( -0.735 0.000 3.636) 3.710 7.680 ( -0.293 0.000 -0.422) 0.513 8.318 ( -1.062 0.000 0.543) 1.193 8.396 ( 0.818 0.000 -0.573) 0.999 8.643 ( 1.202 0.000 1.703) 2.085 8.700 ( 0.232 0.000 0.061) 0.240 8.734 ( 0.733 0.000 -0.900) 1.160 8.762 ( 1.150 0.000 -3.255) 3.453 8.860 ( -0.903 0.000 -0.079) 0.907 8.887 ( -1.891 0.000 1.280) 2.284 8.931 ( 4.040 0.000 0.526) 4.074 8.952 ( 0.271 0.000 -0.256) 0.372 8.995 ( 1.267 0.000 -0.653) 1.425 9.035 ( -1.314 0.000 3.381) 3.628 9.075 ( 1.191 0.000 -1.081) 1.609 9.121 ( -0.249 0.000 -0.080) 0.261 9.271 ( -1.495 0.000 -2.357) 2.791 9.282 ( -2.013 0.000 -1.597) 2.570 9.492 ( -0.655 0.000 1.725) 1.845 9.601 ( 0.261 0.000 -1.077) 1.108 9.747 ( -0.962 0.000 0.068) 0.964 9.779 ( 0.585 0.000 1.120) 1.263 9.857 ( -1.333 0.000 2.482) 2.817 9.881 ( 0.008 0.000 -0.042) 0.042 9.942 ( -0.906 0.000 -0.859) 1.249 9.967 ( 0.937 0.000 -1.344) 1.638 ======================= Grid point 27 (12/39) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.551 ( 7.878 0.000 0.725) 7.911 0.609 ( 2.395 0.000 2.962) 3.809 0.626 ( -5.643 0.000 -7.322) 9.244 0.672 ( 3.836 0.000 -2.420) 4.536 0.678 ( 2.365 0.000 -3.932) 4.588 0.691 ( -2.249 0.000 1.658) 2.794 0.752 ( 0.466 0.000 -0.533) 0.708 0.793 ( 1.500 0.000 0.979) 1.791 0.800 ( 0.264 0.000 -1.092) 1.124 0.805 ( -1.459 0.000 -0.760) 1.645 0.854 ( -0.421 0.000 -0.145) 0.445 0.890 ( -0.462 0.000 1.499) 1.568 0.903 ( -0.361 0.000 0.599) 0.699 0.908 ( -1.685 0.000 2.523) 3.034 0.928 ( 1.002 0.000 -0.832) 1.303 0.974 ( 1.050 0.000 -0.009) 1.050 0.999 ( -1.115 0.000 2.224) 2.488 1.008 ( -1.175 0.000 0.664) 1.350 1.010 ( 0.425 0.000 -0.534) 0.682 1.024 ( -1.234 0.000 -0.559) 1.355 1.053 ( 0.025 0.000 -0.222) 0.223 1.076 ( -0.407 0.000 -0.109) 0.421 1.081 ( -0.995 0.000 0.993) 1.406 1.097 ( 1.078 0.000 -0.857) 1.378 1.104 ( -1.592 0.000 -2.678) 3.115 1.106 ( 0.898 0.000 0.413) 0.989 1.142 ( -0.816 0.000 0.184) 0.837 1.142 ( 0.158 0.000 2.617) 2.622 1.154 ( 2.266 0.000 3.261) 3.971 1.165 ( 1.975 0.000 -1.573) 2.525 1.177 ( -0.878 0.000 -0.062) 0.880 1.196 ( -1.460 0.000 1.760) 2.287 1.211 ( -1.526 0.000 0.485) 1.601 1.219 ( 0.456 0.000 -0.173) 0.488 1.239 ( -4.633 0.000 -0.089) 4.634 1.248 ( -0.228 0.000 0.007) 0.228 1.290 ( 0.755 0.000 -0.296) 0.811 1.294 ( -0.528 0.000 1.258) 1.364 1.310 ( 0.405 0.000 -1.049) 1.124 1.321 ( -0.890 0.000 -0.689) 1.125 1.340 ( 1.532 0.000 2.310) 2.771 1.352 ( -0.889 0.000 1.210) 1.502 1.380 ( 0.178 0.000 4.160) 4.163 1.381 ( -0.384 0.000 0.859) 0.942 1.403 ( -2.216 0.000 -0.449) 2.261 1.408 ( -0.283 0.000 1.404) 1.432 1.434 ( -0.059 0.000 1.203) 1.204 1.485 ( -0.459 0.000 -0.847) 0.963 1.487 ( -0.775 0.000 -0.017) 0.775 1.514 ( 0.085 0.000 0.480) 0.487 1.520 ( 1.029 0.000 0.414) 1.110 1.602 ( -1.038 0.000 0.304) 1.082 1.611 ( 3.298 0.000 -4.565) 5.632 1.649 ( 1.331 0.000 0.345) 1.375 1.667 ( -0.392 0.000 -2.187) 2.222 1.675 ( 0.869 0.000 0.488) 0.997 1.695 ( -0.676 0.000 1.457) 1.606 1.696 ( -0.482 0.000 -1.683) 1.751 1.704 ( 1.124 0.000 0.936) 1.462 1.723 ( -1.717 0.000 0.054) 1.718 1.772 ( -0.692 0.000 2.709) 2.796 1.794 ( -0.864 0.000 -0.060) 0.866 1.876 ( -0.077 0.000 -0.477) 0.483 1.916 ( -0.458 0.000 0.420) 0.622 1.936 ( -1.490 0.000 0.935) 1.759 1.937 ( 0.209 0.000 -0.397) 0.448 2.008 ( 1.030 0.000 0.099) 1.034 2.015 ( -2.470 0.000 1.100) 2.704 2.085 ( 0.832 0.000 0.568) 1.008 2.108 ( 0.147 0.000 0.528) 0.548 2.133 ( 0.892 0.000 -0.775) 1.182 2.140 ( -0.376 0.000 -1.471) 1.518 2.237 ( 0.783 0.000 -0.005) 0.783 2.271 ( 1.342 0.000 -0.298) 1.375 2.300 ( -0.881 0.000 0.671) 1.107 2.303 ( 0.781 0.000 -0.459) 0.905 2.404 ( 0.783 0.000 -1.839) 1.998 2.442 ( -0.209 0.000 -1.031) 1.052 2.461 ( 2.367 0.000 0.552) 2.431 2.462 ( 1.307 0.000 -0.062) 1.308 2.497 ( 1.338 0.000 -0.056) 1.339 2.579 ( -1.170 0.000 2.159) 2.456 2.603 ( 0.940 0.000 -2.212) 2.403 2.630 ( -1.010 0.000 -1.379) 1.709 2.636 ( 1.167 0.000 -1.993) 2.310 2.670 ( 0.612 0.000 0.703) 0.932 2.690 ( -2.444 0.000 1.353) 2.794 2.806 ( 0.958 0.000 0.002) 0.958 2.842 ( -0.902 0.000 -0.816) 1.216 2.851 ( 0.079 0.000 -0.308) 0.318 2.957 ( -1.246 0.000 1.065) 1.639 3.003 ( -0.065 0.000 0.527) 0.531 3.041 ( -0.704 0.000 -0.352) 0.787 3.135 ( -0.212 0.000 -1.905) 1.917 3.394 ( 0.156 0.000 0.165) 0.226 3.477 ( 0.832 0.000 -0.198) 0.855 3.600 ( -0.305 0.000 1.730) 1.757 3.674 ( 0.611 0.000 -0.570) 0.835 3.698 ( -0.849 0.000 0.784) 1.155 3.717 ( -0.496 0.000 0.425) 0.653 4.060 ( -0.230 0.000 0.051) 0.236 4.078 ( 0.077 0.000 0.359) 0.368 4.211 ( -0.321 0.000 0.540) 0.628 4.452 ( 3.027 0.000 -3.777) 4.841 4.514 ( -0.942 0.000 0.720) 1.186 4.754 ( 3.138 0.000 -7.322) 7.966 5.125 ( -0.313 0.000 0.226) 0.386 5.148 ( -0.820 0.000 0.540) 0.982 5.209 ( -0.212 0.000 1.675) 1.688 5.251 ( 0.348 0.000 0.311) 0.467 5.311 ( -5.484 0.000 7.650) 9.412 5.338 ( 0.257 0.000 1.043) 1.074 5.423 ( 0.746 0.000 -0.620) 0.970 5.430 ( -0.752 0.000 1.586) 1.755 5.467 ( 0.074 0.000 0.773) 0.777 5.563 ( -0.100 0.000 -0.326) 0.341 5.615 ( -1.020 0.000 0.786) 1.288 5.650 ( -1.341 0.000 1.473) 1.992 5.886 ( 1.968 0.000 -1.829) 2.686 5.970 ( 1.510 0.000 -2.129) 2.610 6.029 ( 0.039 0.000 -1.630) 1.631 6.042 ( -0.627 0.000 -1.427) 1.559 6.148 ( 3.388 0.000 -3.039) 4.551 6.158 ( 2.585 0.000 -1.412) 2.946 6.247 ( -0.948 0.000 -0.195) 0.968 6.261 ( -1.594 0.000 1.090) 1.930 6.281 ( -2.623 0.000 0.407) 2.654 6.417 ( -0.391 0.000 -0.443) 0.591 6.423 ( -1.244 0.000 -0.546) 1.358 6.434 ( 1.890 0.000 -1.469) 2.394 6.475 ( -0.042 0.000 -1.420) 1.420 6.520 ( 2.796 0.000 -0.578) 2.855 6.598 ( 0.640 0.000 0.598) 0.876 6.834 ( 2.782 0.000 2.162) 3.523 6.894 ( -5.291 0.000 -1.450) 5.486 6.922 ( 1.145 0.000 1.484) 1.874 7.030 ( 0.050 0.000 -0.139) 0.147 7.040 ( -2.686 0.000 1.478) 3.066 7.241 ( -0.898 0.000 2.255) 2.427 7.357 ( 0.639 0.000 -1.380) 1.521 7.385 ( -0.756 0.000 1.265) 1.473 7.487 ( 2.274 0.000 -2.231) 3.186 7.626 ( -1.874 0.000 3.534) 4.000 7.677 ( 0.155 0.000 0.291) 0.329 8.308 ( -0.596 0.000 0.766) 0.970 8.405 ( 0.678 0.000 -0.580) 0.892 8.674 ( 0.262 0.000 1.544) 1.566 8.706 ( 0.069 0.000 0.503) 0.508 8.748 ( 1.041 0.000 0.192) 1.059 8.777 ( 2.723 0.000 -0.905) 2.869 8.848 ( -0.265 0.000 0.405) 0.484 8.867 ( -1.275 0.000 0.779) 1.494 8.947 ( -0.004 0.000 -1.387) 1.387 8.982 ( 0.921 0.000 -0.284) 0.963 9.028 ( -2.553 0.000 1.907) 3.187 9.050 ( 3.700 0.000 0.684) 3.763 9.086 ( 1.215 0.000 -1.342) 1.811 9.092 ( -1.166 0.000 -1.522) 1.918 9.216 ( -1.391 0.000 -2.320) 2.705 9.219 ( -2.170 0.000 -2.190) 3.083 9.498 ( -0.641 0.000 1.517) 1.647 9.600 ( 0.636 0.000 -0.754) 0.987 9.742 ( 0.279 0.000 0.058) 0.285 9.789 ( -0.697 0.000 0.850) 1.099 9.856 ( -1.444 0.000 2.116) 2.562 9.892 ( 0.756 0.000 0.135) 0.768 9.915 ( -0.527 0.000 -0.704) 0.880 9.966 ( 0.650 0.000 -1.399) 1.542 ======================= Grid point 28 (13/39) ======================= q-point: (-0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.415 ( -9.890 0.000 -3.989) 10.664 0.473 ( -11.169 0.000 -1.655) 11.291 0.643 ( 1.278 0.000 0.908) 1.568 0.679 ( 0.180 0.000 -2.754) 2.760 0.743 ( 2.331 0.000 0.694) 2.432 0.749 ( 4.475 0.000 -0.299) 4.485 0.772 ( 1.413 0.000 -0.053) 1.414 0.781 ( -0.172 0.000 -1.379) 1.389 0.806 ( 0.574 0.000 1.125) 1.263 0.833 ( 1.338 0.000 1.397) 1.935 0.855 ( 0.051 0.000 0.198) 0.204 0.873 ( -3.472 0.000 0.294) 3.484 0.889 ( -8.631 0.000 1.455) 8.753 0.894 ( -0.960 0.000 -1.094) 1.456 0.935 ( -0.348 0.000 1.459) 1.500 0.953 ( -0.549 0.000 0.092) 0.557 0.974 ( -0.083 0.000 0.050) 0.096 0.986 ( 0.640 0.000 -0.737) 0.976 0.990 ( 0.147 0.000 -0.379) 0.406 1.019 ( -3.636 0.000 -1.108) 3.801 1.025 ( 0.150 0.000 -1.287) 1.295 1.052 ( 1.121 0.000 -0.774) 1.363 1.054 ( -0.988 0.000 -0.665) 1.191 1.091 ( 0.360 0.000 1.722) 1.760 1.103 ( -0.254 0.000 -2.343) 2.357 1.104 ( -1.055 0.000 -1.193) 1.593 1.140 ( 1.629 0.000 1.869) 2.479 1.147 ( 0.025 0.000 -1.962) 1.962 1.158 ( -0.400 0.000 -0.003) 0.400 1.161 ( 1.516 0.000 3.647) 3.949 1.195 ( -1.546 0.000 2.843) 3.236 1.197 ( -0.075 0.000 0.307) 0.316 1.209 ( 0.526 0.000 1.617) 1.701 1.212 ( -0.709 0.000 -1.693) 1.835 1.238 ( 0.092 0.000 -0.135) 0.163 1.240 ( -0.525 0.000 0.517) 0.737 1.281 ( -1.100 0.000 -1.089) 1.548 1.282 ( -0.844 0.000 2.616) 2.749 1.315 ( -0.013 0.000 0.311) 0.312 1.334 ( 2.021 0.000 -0.497) 2.081 1.348 ( -0.395 0.000 0.667) 0.775 1.361 ( 0.706 0.000 0.039) 0.707 1.362 ( -0.888 0.000 0.938) 1.292 1.385 ( 0.856 0.000 -2.045) 2.217 1.433 ( -0.035 0.000 0.565) 0.566 1.438 ( -1.667 0.000 1.952) 2.567 1.470 ( 0.739 0.000 2.812) 2.907 1.483 ( -0.787 0.000 1.133) 1.380 1.496 ( 3.216 0.000 -0.020) 3.216 1.513 ( 0.397 0.000 0.596) 0.716 1.526 ( -1.032 0.000 -0.306) 1.076 1.571 ( 0.532 0.000 1.486) 1.579 1.601 ( 0.093 0.000 -3.739) 3.740 1.636 ( -1.762 0.000 -2.970) 3.453 1.642 ( 0.343 0.000 -2.501) 2.524 1.674 ( -0.024 0.000 0.958) 0.958 1.687 ( -0.982 0.000 0.191) 1.000 1.698 ( -0.244 0.000 0.033) 0.246 1.733 ( 0.701 0.000 1.037) 1.252 1.747 ( -0.350 0.000 2.773) 2.796 1.774 ( 0.317 0.000 0.951) 1.002 1.809 ( 1.296 0.000 2.346) 2.680 1.861 ( -0.605 0.000 -0.895) 1.080 1.894 ( -0.763 0.000 -0.871) 1.157 1.952 ( 1.682 0.000 -0.399) 1.728 1.963 ( 2.304 0.000 1.721) 2.876 2.017 ( 0.995 0.000 0.505) 1.116 2.035 ( 0.971 0.000 1.224) 1.562 2.097 ( 0.403 0.000 0.053) 0.407 2.126 ( 0.513 0.000 3.118) 3.160 2.143 ( 1.530 0.000 -1.071) 1.867 2.158 ( 1.708 0.000 -0.440) 1.764 2.244 ( -2.035 0.000 -1.364) 2.450 2.252 ( 0.476 0.000 0.724) 0.867 2.285 ( -0.849 0.000 0.562) 1.019 2.310 ( -0.152 0.000 -1.019) 1.030 2.387 ( -0.878 0.000 -0.872) 1.237 2.415 ( -1.041 0.000 -1.228) 1.610 2.493 ( 2.078 0.000 -0.371) 2.111 2.496 ( -0.286 0.000 1.149) 1.184 2.544 ( 2.083 0.000 0.951) 2.290 2.577 ( 0.577 0.000 -4.883) 4.917 2.581 ( -0.498 0.000 -2.951) 2.993 2.594 ( -1.284 0.000 3.614) 3.835 2.637 ( 0.777 0.000 -1.295) 1.510 2.669 ( -1.086 0.000 1.306) 1.698 2.704 ( 1.725 0.000 1.560) 2.326 2.800 ( -0.414 0.000 -1.827) 1.873 2.844 ( -0.583 0.000 0.976) 1.137 2.857 ( 1.987 0.000 1.075) 2.259 2.950 ( -0.473 0.000 0.257) 0.538 2.993 ( -1.720 0.000 -2.497) 3.033 3.050 ( 2.772 0.000 1.459) 3.132 3.078 ( -2.614 0.000 -3.649) 4.489 3.415 ( 0.539 0.000 0.889) 1.040 3.483 ( 0.252 0.000 -0.599) 0.650 3.608 ( -0.591 0.000 1.973) 2.060 3.681 ( 0.469 0.000 -0.153) 0.494 3.695 ( -0.349 0.000 0.590) 0.685 3.717 ( -0.165 0.000 0.759) 0.776 4.065 ( 0.493 0.000 0.306) 0.580 4.086 ( 0.303 0.000 0.335) 0.452 4.218 ( -0.095 0.000 1.391) 1.394 4.454 ( 2.139 0.000 -5.875) 6.253 4.501 ( -1.035 0.000 0.460) 1.132 4.733 ( 3.360 0.000 -7.525) 8.241 5.117 ( -0.803 0.000 0.256) 0.842 5.131 ( -0.988 0.000 0.260) 1.022 5.239 ( -0.860 0.000 3.759) 3.856 5.266 ( 0.723 0.000 0.662) 0.980 5.300 ( -3.359 0.000 6.255) 7.100 5.382 ( 1.943 0.000 2.615) 3.258 5.432 ( 0.657 0.000 0.225) 0.694 5.439 ( -0.072 0.000 1.861) 1.863 5.478 ( 0.101 0.000 1.090) 1.095 5.543 ( -0.909 0.000 -1.919) 2.124 5.594 ( -1.911 0.000 0.859) 2.096 5.654 ( -0.248 0.000 1.997) 2.013 5.876 ( -0.504 0.000 -4.331) 4.361 5.980 ( 1.323 0.000 -1.339) 1.882 6.017 ( -0.317 0.000 -1.132) 1.175 6.024 ( 1.860 0.000 -1.979) 2.716 6.149 ( 1.396 0.000 -6.021) 6.180 6.152 ( -0.519 0.000 -2.198) 2.258 6.261 ( 0.291 0.000 0.541) 0.614 6.262 ( 1.581 0.000 0.993) 1.867 6.272 ( 0.589 0.000 1.877) 1.967 6.353 ( -3.131 0.000 -1.303) 3.391 6.382 ( -1.604 0.000 -1.551) 2.231 6.444 ( 0.396 0.000 -1.992) 2.031 6.478 ( 1.305 0.000 0.310) 1.341 6.540 ( 0.380 0.000 -1.008) 1.077 6.696 ( 5.469 0.000 4.907) 7.348 6.715 ( -8.645 0.000 -2.598) 9.027 6.927 ( 3.670 0.000 0.951) 3.791 6.939 ( -0.299 0.000 -0.866) 0.917 7.003 ( -2.647 0.000 2.174) 3.425 7.070 ( 2.667 0.000 0.868) 2.804 7.236 ( -1.936 0.000 1.678) 2.562 7.368 ( 1.641 0.000 -0.801) 1.826 7.375 ( -1.686 0.000 1.825) 2.485 7.488 ( 0.557 0.000 -2.792) 2.847 7.612 ( -3.241 0.000 3.288) 4.616 7.689 ( 0.345 0.000 0.965) 1.025 8.313 ( 0.016 0.000 1.178) 1.178 8.405 ( 0.083 0.000 -0.756) 0.761 8.696 ( 0.193 0.000 2.493) 2.500 8.710 ( -0.209 0.000 0.359) 0.415 8.766 ( 0.147 0.000 0.681) 0.697 8.815 ( 1.954 0.000 -1.267) 2.328 8.861 ( -0.255 0.000 0.698) 0.743 8.874 ( 1.749 0.000 2.643) 3.169 8.924 ( -0.571 0.000 -1.403) 1.515 8.965 ( -2.356 0.000 -1.379) 2.730 8.993 ( -2.779 0.000 1.215) 3.033 9.037 ( -0.632 0.000 0.248) 0.679 9.081 ( -0.093 0.000 -1.311) 1.314 9.104 ( -1.110 0.000 -1.408) 1.794 9.174 ( -0.087 0.000 -4.305) 4.306 9.207 ( 4.452 0.000 -1.835) 4.816 9.499 ( -0.968 0.000 1.525) 1.806 9.605 ( 0.781 0.000 -0.951) 1.230 9.759 ( 0.976 0.000 1.223) 1.565 9.774 ( -1.220 0.000 -0.108) 1.225 9.849 ( -1.628 0.000 2.024) 2.598 9.889 ( -0.261 0.000 0.155) 0.303 9.931 ( 1.530 0.000 -0.022) 1.530 9.962 ( 0.594 0.000 -1.751) 1.849 ======================= Grid point 29 (14/39) ======================= q-point: (-0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.239 ( -9.315 0.000 6.349) 11.273 0.252 ( -12.212 0.000 2.691) 12.504 0.536 ( -19.013 0.000 13.537) 23.339 0.660 ( 1.793 0.000 -3.801) 4.202 0.735 ( -1.234 0.000 -2.822) 3.080 0.739 ( -1.120 0.000 -0.036) 1.120 0.765 ( 0.850 0.000 -1.376) 1.617 0.779 ( -0.532 0.000 -0.954) 1.092 0.803 ( 0.595 0.000 1.598) 1.705 0.823 ( -0.031 0.000 0.804) 0.804 0.875 ( 0.115 0.000 3.205) 3.207 0.877 ( 0.616 0.000 -1.007) 1.180 0.893 ( 1.444 0.000 -1.152) 1.847 0.900 ( 1.349 0.000 -0.611) 1.481 0.932 ( 0.857 0.000 -1.017) 1.329 0.945 ( -0.225 0.000 2.433) 2.443 0.951 ( -0.342 0.000 0.335) 0.479 0.970 ( -0.722 0.000 -0.021) 0.722 0.999 ( 0.766 0.000 -1.607) 1.780 1.001 ( -1.043 0.000 -1.550) 1.868 1.019 ( 0.687 0.000 1.590) 1.732 1.066 ( 0.799 0.000 -0.472) 0.929 1.073 ( 2.737 0.000 -0.084) 2.738 1.092 ( 1.835 0.000 -1.640) 2.461 1.094 ( -0.386 0.000 -0.522) 0.649 1.101 ( -0.331 0.000 0.579) 0.667 1.130 ( -0.647 0.000 -1.297) 1.450 1.165 ( -0.082 0.000 1.445) 1.447 1.165 ( -0.178 0.000 1.270) 1.282 1.177 ( -0.355 0.000 -1.111) 1.166 1.193 ( -0.452 0.000 -0.109) 0.465 1.199 ( -1.147 0.000 2.322) 2.590 1.212 ( -1.476 0.000 0.293) 1.505 1.228 ( 0.819 0.000 0.407) 0.915 1.229 ( 1.383 0.000 0.413) 1.443 1.237 ( -0.228 0.000 1.556) 1.573 1.265 ( 0.542 0.000 0.427) 0.690 1.283 ( -1.187 0.000 0.972) 1.534 1.308 ( -1.092 0.000 -0.137) 1.100 1.318 ( -1.079 0.000 -0.511) 1.194 1.360 ( 0.324 0.000 -0.308) 0.447 1.373 ( -0.412 0.000 -1.319) 1.382 1.400 ( 2.705 0.000 0.265) 2.718 1.407 ( -0.019 0.000 3.095) 3.095 1.419 ( -0.966 0.000 -0.709) 1.198 1.426 ( 1.496 0.000 0.840) 1.716 1.457 ( -1.064 0.000 -0.439) 1.151 1.477 ( -0.266 0.000 -0.372) 0.457 1.492 ( -1.288 0.000 -1.709) 2.140 1.548 ( -0.382 0.000 -0.211) 0.436 1.559 ( 2.283 0.000 1.267) 2.611 1.573 ( 1.026 0.000 0.713) 1.250 1.583 ( -0.742 0.000 -1.788) 1.935 1.614 ( -1.048 0.000 -0.574) 1.195 1.636 ( 2.525 0.000 0.750) 2.634 1.676 ( -0.297 0.000 0.463) 0.550 1.679 ( -0.401 0.000 1.446) 1.501 1.696 ( -0.317 0.000 -0.568) 0.651 1.736 ( -1.463 0.000 -0.159) 1.472 1.756 ( 0.389 0.000 1.709) 1.753 1.779 ( -0.989 0.000 -0.041) 0.990 1.828 ( -1.723 0.000 -0.696) 1.858 1.863 ( 0.054 0.000 3.950) 3.951 1.906 ( 2.568 0.000 -1.104) 2.795 1.975 ( 0.951 0.000 -0.384) 1.026 2.017 ( 1.820 0.000 0.027) 1.820 2.045 ( 1.565 0.000 0.552) 1.660 2.052 ( -0.598 0.000 1.123) 1.272 2.116 ( 1.207 0.000 -1.860) 2.217 2.150 ( 2.227 0.000 -2.498) 3.347 2.157 ( 0.638 0.000 -3.232) 3.294 2.187 ( 0.212 0.000 1.293) 1.310 2.201 ( -0.680 0.000 1.855) 1.976 2.249 ( -2.958 0.000 -1.266) 3.217 2.282 ( -1.181 0.000 -1.260) 1.727 2.289 ( -0.420 0.000 -0.229) 0.479 2.361 ( -0.111 0.000 1.806) 1.809 2.386 ( -0.657 0.000 -1.049) 1.238 2.472 ( -2.018 0.000 -0.637) 2.116 2.495 ( -1.493 0.000 -0.908) 1.747 2.527 ( -0.104 0.000 -3.069) 3.071 2.568 ( 3.069 0.000 -2.098) 3.717 2.571 ( 0.802 0.000 0.140) 0.814 2.638 ( 0.970 0.000 -1.462) 1.755 2.640 ( 0.782 0.000 0.993) 1.264 2.682 ( -0.026 0.000 3.899) 3.899 2.746 ( 0.816 0.000 -1.171) 1.428 2.779 ( 0.477 0.000 0.032) 0.478 2.843 ( -1.090 0.000 0.808) 1.357 2.914 ( 1.530 0.000 3.291) 3.629 2.923 ( -1.062 0.000 -2.498) 2.715 2.955 ( 0.307 0.000 -1.087) 1.130 3.001 ( -1.746 0.000 -0.732) 1.893 3.106 ( 1.763 0.000 0.061) 1.764 3.423 ( -0.291 0.000 0.894) 0.941 3.473 ( -0.014 0.000 -1.564) 1.564 3.617 ( -0.638 0.000 1.115) 1.284 3.692 ( 1.049 0.000 0.140) 1.058 3.695 ( -0.319 0.000 0.565) 0.649 3.730 ( 0.601 0.000 1.905) 1.998 4.079 ( 0.496 0.000 0.349) 0.607 4.093 ( 0.342 0.000 -0.168) 0.381 4.229 ( -0.680 0.000 1.717) 1.847 4.355 ( -4.382 0.000 -11.432) 12.243 4.493 ( -0.740 0.000 1.412) 1.594 4.734 ( 4.372 0.000 -5.753) 7.225 5.105 ( -0.823 0.000 0.706) 1.084 5.125 ( -0.319 0.000 0.755) 0.820 5.260 ( -0.140 0.000 6.090) 6.091 5.280 ( 0.090 0.000 0.013) 0.091 5.315 ( -1.408 0.000 3.989) 4.230 5.435 ( 0.991 0.000 0.848) 1.304 5.450 ( 0.164 0.000 0.907) 0.921 5.467 ( 0.571 0.000 1.376) 1.490 5.501 ( -0.416 0.000 -1.567) 1.621 5.503 ( 1.198 0.000 2.210) 2.514 5.570 ( -2.046 0.000 1.992) 2.855 5.671 ( -0.684 0.000 -0.074) 0.688 5.751 ( -4.793 0.000 -6.585) 8.145 5.982 ( 0.278 0.000 -0.880) 0.923 6.006 ( -0.099 0.000 0.013) 0.099 6.058 ( 3.898 0.000 -2.693) 4.738 6.121 ( 0.853 0.000 -2.373) 2.522 6.127 ( -0.072 0.000 -1.501) 1.502 6.253 ( -0.525 0.000 -0.571) 0.776 6.287 ( -0.507 0.000 0.461) 0.685 6.293 ( 0.811 0.000 1.738) 1.918 6.339 ( 0.939 0.000 1.539) 1.803 6.354 ( -1.882 0.000 0.465) 1.939 6.412 ( -0.999 0.000 -2.756) 2.931 6.511 ( 1.463 0.000 0.043) 1.464 6.513 ( -1.131 0.000 -3.923) 4.083 6.583 ( -2.789 0.000 1.781) 3.309 6.850 ( 2.970 0.000 3.563) 4.639 6.897 ( 0.126 0.000 -1.162) 1.169 6.978 ( 0.969 0.000 -0.105) 0.974 7.007 ( -0.031 0.000 2.144) 2.144 7.135 ( 3.883 0.000 0.112) 3.884 7.212 ( -2.122 0.000 1.437) 2.562 7.388 ( 1.237 0.000 -0.827) 1.488 7.392 ( 0.916 0.000 4.364) 4.459 7.450 ( -1.279 0.000 -2.693) 2.981 7.591 ( -2.431 0.000 3.113) 3.950 7.702 ( -0.220 0.000 0.878) 0.905 8.327 ( -0.089 0.000 1.156) 1.160 8.395 ( -0.058 0.000 -1.029) 1.031 8.705 ( -0.451 0.000 -0.037) 0.452 8.716 ( -0.311 0.000 -2.498) 2.517 8.763 ( -0.552 0.000 -0.512) 0.753 8.825 ( 1.274 0.000 -1.649) 2.083 8.865 ( -0.103 0.000 -0.019) 0.105 8.909 ( -2.117 0.000 0.829) 2.273 8.913 ( -1.263 0.000 0.882) 1.541 8.936 ( -0.949 0.000 0.965) 1.353 8.994 ( 4.103 0.000 6.067) 7.324 9.040 ( -0.702 0.000 -2.399) 2.499 9.067 ( 0.466 0.000 0.988) 1.093 9.074 ( 0.081 0.000 0.936) 0.940 9.099 ( -2.113 0.000 -3.824) 4.369 9.278 ( 4.071 0.000 -1.377) 4.298 9.495 ( -1.344 0.000 1.713) 2.177 9.606 ( 0.739 0.000 -1.345) 1.534 9.755 ( -0.463 0.000 -0.187) 0.499 9.805 ( 1.717 0.000 1.754) 2.455 9.850 ( -0.219 0.000 2.995) 3.003 9.891 ( -0.072 0.000 0.277) 0.286 9.947 ( -0.155 0.000 -2.412) 2.417 9.953 ( 0.943 0.000 -0.297) 0.988 ======================= Grid point 30 (15/39) ======================= q-point: ( 0.00 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.322 ( -1.237 9.689 4.652) 10.819 0.422 ( 1.117 8.289 10.073) 13.093 0.626 ( -0.919 0.018 5.738) 5.811 0.655 ( 0.183 -2.942 -0.700) 3.030 0.676 ( -0.227 5.941 2.651) 6.510 0.714 ( 1.069 -2.131 -0.888) 2.544 0.736 ( -0.511 2.006 -1.608) 2.621 0.775 ( 0.747 1.325 0.030) 1.522 0.806 ( 0.562 0.735 -0.048) 0.926 0.819 ( 1.372 -1.068 -2.431) 2.989 0.845 ( -0.584 0.237 1.329) 1.471 0.859 ( -0.287 -1.292 3.068) 3.342 0.870 ( -0.982 -0.152 -1.512) 1.809 0.903 ( -1.373 0.044 -0.393) 1.429 0.932 ( 0.759 -0.848 -0.440) 1.220 0.962 ( 1.861 -1.825 0.288) 2.623 0.963 ( -1.831 1.008 0.253) 2.106 0.970 ( -0.149 0.496 0.698) 0.870 1.013 ( 1.323 0.374 0.000) 1.375 1.024 ( -1.012 -0.243 -0.002) 1.040 1.043 ( 0.761 -0.662 0.050) 1.009 1.061 ( -0.140 -0.408 -0.368) 0.567 1.071 ( 0.216 0.517 0.841) 1.011 1.088 ( 0.197 0.777 -0.468) 0.928 1.105 ( -0.076 -1.252 -0.435) 1.328 1.117 ( -1.617 -0.326 -0.664) 1.778 1.121 ( -0.763 0.311 0.584) 1.009 1.153 ( -1.929 0.430 0.709) 2.100 1.164 ( 0.810 -0.439 -0.271) 0.960 1.167 ( 1.933 1.680 0.153) 2.566 1.189 ( -0.287 -1.795 0.311) 1.844 1.203 ( 0.587 0.523 0.059) 0.789 1.206 ( -0.690 -0.580 1.851) 2.059 1.224 ( -0.344 -0.683 0.737) 1.062 1.232 ( 0.295 -0.511 1.755) 1.852 1.255 ( -0.089 -0.309 -0.688) 0.759 1.264 ( 0.385 -0.829 0.368) 0.985 1.289 ( -1.268 1.140 0.092) 1.708 1.301 ( -0.074 0.896 -1.393) 1.658 1.311 ( -0.181 -1.395 0.122) 1.412 1.327 ( -1.035 -0.757 0.168) 1.293 1.347 ( -0.553 1.512 0.733) 1.769 1.401 ( -0.391 -1.137 0.906) 1.506 1.408 ( 0.269 -1.937 0.403) 1.996 1.414 ( -0.205 0.763 -0.894) 1.193 1.468 ( 0.693 -1.033 -0.484) 1.334 1.478 ( 1.148 1.143 0.552) 1.712 1.490 ( -0.286 0.344 -0.152) 0.472 1.498 ( -0.451 -0.044 -1.022) 1.118 1.512 ( 0.776 1.439 -0.870) 1.852 1.553 ( -0.083 -0.667 -0.029) 0.673 1.579 ( 2.247 -0.943 0.181) 2.443 1.584 ( -1.342 -1.041 -1.457) 2.237 1.622 ( 0.842 1.123 0.815) 1.623 1.637 ( 0.487 1.085 1.435) 1.864 1.666 ( -0.259 -1.071 0.695) 1.303 1.682 ( -0.060 -0.528 1.514) 1.605 1.710 ( -1.794 0.881 -0.177) 2.007 1.727 ( -0.914 0.180 2.503) 2.670 1.751 ( -0.203 -0.381 -0.277) 0.513 1.793 ( -0.613 -0.194 1.025) 1.210 1.817 ( 0.701 1.213 1.201) 1.845 1.827 ( -0.862 0.625 -0.287) 1.103 1.921 ( 0.562 -0.588 -1.870) 2.040 1.954 ( -1.511 -1.271 -0.524) 2.043 1.998 ( -1.775 -1.551 0.108) 2.360 2.015 ( 0.380 -1.135 0.018) 1.197 2.051 ( -0.179 -2.176 0.679) 2.286 2.099 ( -0.128 0.013 -1.047) 1.055 2.125 ( 1.309 -0.385 -1.172) 1.799 2.149 ( -0.388 0.229 -2.586) 2.625 2.184 ( -0.531 0.621 0.024) 0.817 2.216 ( -0.867 -0.801 -2.882) 3.114 2.227 ( 0.711 0.442 -0.594) 1.026 2.248 ( 1.108 -0.604 1.494) 1.955 2.287 ( 0.709 0.075 0.675) 0.982 2.376 ( 0.703 0.087 0.369) 0.798 2.378 ( -0.603 0.043 -0.667) 0.900 2.439 ( -0.212 -0.561 0.020) 0.600 2.460 ( -0.376 -0.465 0.029) 0.598 2.538 ( 0.843 1.497 -1.576) 2.331 2.571 ( 1.935 -1.006 -0.948) 2.378 2.603 ( 1.024 0.207 -0.387) 1.114 2.630 ( 1.083 -0.406 -1.563) 1.945 2.644 ( -0.601 1.260 0.460) 1.470 2.703 ( -0.970 -1.077 2.322) 2.737 2.739 ( -0.735 1.371 -0.406) 1.608 2.779 ( 0.515 -0.224 0.201) 0.597 2.839 ( -0.157 0.824 -0.110) 0.846 2.883 ( 0.059 -1.497 -0.616) 1.620 2.927 ( 0.320 -0.969 0.982) 1.417 2.956 ( 1.028 -2.374 2.296) 3.459 3.126 ( 1.184 6.945 0.516) 7.064 3.179 ( -1.095 5.531 -0.411) 5.653 3.406 ( 0.100 -3.634 -0.647) 3.692 3.410 ( -0.328 -3.614 -1.043) 3.776 3.581 ( -0.996 -0.717 0.686) 1.406 3.654 ( 0.223 -3.020 1.279) 3.287 3.707 ( -0.051 0.782 -1.224) 1.454 3.733 ( -0.552 -0.213 0.298) 0.662 4.119 ( -0.272 2.895 -0.042) 2.908 4.190 ( 1.401 2.826 -2.879) 4.271 4.219 ( -2.580 0.580 0.012) 2.644 4.305 ( 3.897 -0.847 -0.622) 4.037 4.664 ( 0.324 9.980 -4.381) 10.904 4.810 ( 3.971 5.066 -5.413) 8.411 5.093 ( 0.030 -2.537 0.338) 2.559 5.147 ( -0.459 -0.676 0.580) 1.003 5.213 ( -1.263 -3.698 -0.685) 3.967 5.254 ( -0.851 -3.573 -0.299) 3.685 5.282 ( 0.398 -2.902 2.663) 3.959 5.359 ( -3.537 -2.401 3.731) 5.674 5.394 ( 0.550 -1.421 -1.636) 2.236 5.427 ( -0.523 -2.053 0.738) 2.243 5.486 ( -1.694 0.455 0.576) 1.847 5.534 ( 0.058 -0.107 0.259) 0.287 5.583 ( -1.214 -2.154 2.699) 3.661 5.605 ( -1.456 -1.200 3.861) 4.298 5.855 ( 3.414 5.535 -0.843) 6.558 5.993 ( -0.065 0.485 -0.966) 1.083 6.069 ( 3.260 1.414 -0.347) 3.570 6.094 ( 1.652 0.990 -4.115) 4.543 6.116 ( 1.069 1.306 -2.656) 3.147 6.149 ( 1.763 1.184 -2.317) 3.143 6.249 ( 0.803 -2.587 1.045) 2.903 6.282 ( -2.008 -1.117 -0.123) 2.301 6.322 ( 1.045 1.526 1.856) 2.621 6.355 ( -0.169 1.108 1.231) 1.664 6.369 ( -0.637 2.340 1.285) 2.744 6.410 ( 1.936 0.260 -0.659) 2.062 6.436 ( -0.642 -1.895 -1.345) 2.411 6.502 ( 0.771 -2.191 -0.111) 2.326 6.649 ( 1.900 1.911 2.734) 3.839 6.778 ( -3.974 -2.448 -2.240) 5.177 6.872 ( -1.536 -0.821 0.484) 1.808 6.902 ( 0.849 -2.857 1.228) 3.223 7.060 ( -0.331 1.930 3.544) 4.049 7.169 ( -0.682 -2.033 0.927) 2.336 7.240 ( -0.059 2.107 -0.786) 2.249 7.321 ( -1.602 -3.046 -0.004) 3.442 7.430 ( -0.403 2.165 0.359) 2.231 7.470 ( 0.860 2.281 -1.776) 3.016 7.590 ( -1.110 0.175 2.976) 3.181 7.672 ( -0.535 -1.770 -0.055) 1.850 8.391 ( -0.489 3.968 -0.742) 4.066 8.430 ( 0.668 3.563 -0.734) 3.699 8.580 ( -2.118 -3.961 1.681) 4.796 8.660 ( -0.003 -5.651 -0.095) 5.652 8.717 ( -0.485 1.567 -0.920) 1.881 8.792 ( -0.074 0.327 -2.372) 2.396 8.853 ( 0.206 -1.157 1.216) 1.691 8.891 ( 1.084 0.293 0.027) 1.123 8.910 ( -1.321 1.206 -0.261) 1.808 8.950 ( 0.884 -1.734 -1.498) 2.456 8.983 ( 0.596 0.852 2.451) 2.663 9.032 ( -1.640 -0.719 0.361) 1.826 9.072 ( -0.595 1.280 0.455) 1.483 9.114 ( 1.179 0.790 1.603) 2.141 9.273 ( 2.728 0.242 -1.876) 3.320 9.321 ( 2.154 -0.863 -1.294) 2.657 9.527 ( -0.642 3.357 1.240) 3.636 9.621 ( 0.519 2.327 -1.942) 3.075 9.714 ( 0.509 -3.642 0.296) 3.689 9.765 ( -1.543 -2.222 -1.335) 3.016 9.841 ( -0.611 -0.405 3.073) 3.160 9.862 ( -1.414 -1.116 1.520) 2.357 9.966 ( 0.377 1.411 -1.131) 1.847 9.990 ( 0.778 0.615 -1.811) 2.065 ======================= Grid point 31 (16/39) ======================= q-point: ( 0.20 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.393 ( 4.807 5.939 3.911) 8.583 0.565 ( 4.304 6.893 6.154) 10.194 0.647 ( 1.567 -2.390 -2.555) 3.833 0.677 ( 0.323 -1.410 -0.485) 1.526 0.696 ( 0.880 0.274 -3.005) 3.143 0.720 ( 1.307 -2.106 0.115) 2.482 0.736 ( 1.581 0.402 -1.239) 2.049 0.775 ( -1.605 -0.074 0.005) 1.607 0.817 ( -0.695 0.503 -2.926) 3.049 0.831 ( -0.011 0.089 -0.308) 0.320 0.851 ( -0.356 -0.695 0.816) 1.130 0.856 ( 1.555 0.122 4.433) 4.700 0.884 ( -0.523 -0.620 0.384) 0.898 0.892 ( 0.494 -1.198 3.063) 3.326 0.923 ( -0.816 1.106 2.157) 2.558 0.948 ( 0.235 -0.635 -1.202) 1.380 0.966 ( -1.126 -0.070 0.675) 1.315 0.995 ( -1.464 -0.987 0.411) 1.812 1.017 ( -0.161 -1.134 0.471) 1.238 1.030 ( -0.108 -0.299 0.098) 0.333 1.031 ( -0.121 -1.416 -0.916) 1.691 1.060 ( -0.211 0.147 0.095) 0.274 1.069 ( -0.183 0.611 0.954) 1.148 1.083 ( 0.136 -1.237 2.126) 2.463 1.096 ( 0.175 0.550 -0.488) 0.756 1.120 ( 0.021 0.532 0.721) 0.896 1.127 ( 0.585 1.185 0.477) 1.405 1.136 ( 0.356 0.884 1.452) 1.737 1.153 ( -0.508 1.227 -0.463) 1.406 1.185 ( -0.550 0.060 -0.171) 0.579 1.189 ( 0.885 -0.901 -0.518) 1.365 1.212 ( -0.498 -0.424 -1.600) 1.728 1.219 ( -0.852 -0.481 0.662) 1.181 1.233 ( 0.098 -0.170 1.281) 1.296 1.238 ( -0.345 0.067 0.649) 0.738 1.257 ( 1.019 0.497 0.463) 1.225 1.269 ( 0.394 0.285 1.625) 1.697 1.275 ( -0.017 1.337 0.471) 1.418 1.304 ( -0.051 -1.706 0.051) 1.708 1.317 ( 0.219 -0.122 0.636) 0.683 1.322 ( 0.152 0.876 0.335) 0.951 1.341 ( 0.144 0.676 0.763) 1.030 1.390 ( -0.743 0.528 0.598) 1.090 1.394 ( -0.891 -1.050 0.226) 1.395 1.425 ( 0.013 -0.639 -0.997) 1.184 1.452 ( -2.240 -0.788 -0.542) 2.436 1.472 ( -0.387 -0.547 0.426) 0.794 1.485 ( -0.338 0.508 -0.029) 0.611 1.501 ( -0.407 -0.017 0.269) 0.488 1.513 ( -2.645 1.236 -0.720) 3.007 1.536 ( -0.226 0.646 0.195) 0.711 1.563 ( 1.240 -0.574 0.914) 1.644 1.615 ( 1.599 -0.424 -0.535) 1.739 1.637 ( 1.100 2.295 -2.416) 3.509 1.654 ( 1.165 1.158 0.047) 1.644 1.677 ( 0.052 -0.053 -0.261) 0.271 1.689 ( -0.228 -1.011 1.062) 1.484 1.705 ( 0.565 0.860 1.250) 1.618 1.735 ( -1.469 -0.393 0.806) 1.721 1.742 ( -0.468 -0.562 1.761) 1.907 1.787 ( -0.522 2.462 -0.495) 2.565 1.811 ( -0.536 0.194 0.190) 0.601 1.847 ( 0.497 -0.815 1.399) 1.694 1.906 ( 0.464 -1.569 -2.248) 2.781 1.928 ( -0.791 -1.848 0.811) 2.168 1.969 ( -1.272 -1.676 0.280) 2.123 2.008 ( -2.145 0.645 -0.845) 2.394 2.037 ( -2.113 -1.635 0.863) 2.808 2.061 ( -0.820 -0.778 -1.391) 1.792 2.099 ( -0.652 -0.575 -2.247) 2.410 2.134 ( -0.070 -1.086 -1.537) 1.883 2.178 ( -0.214 -0.848 -1.346) 1.605 2.211 ( 2.433 0.783 -0.625) 2.631 2.243 ( 1.833 0.491 -0.150) 1.903 2.288 ( 0.319 0.111 1.461) 1.499 2.301 ( 0.806 0.217 -0.470) 0.957 2.373 ( 1.434 -0.460 -0.655) 1.642 2.405 ( 1.963 -0.532 0.215) 2.046 2.441 ( 0.381 -0.040 0.433) 0.578 2.456 ( 0.191 0.087 -0.269) 0.341 2.536 ( 0.114 2.222 -1.753) 2.833 2.580 ( 0.212 -0.112 -1.155) 1.180 2.607 ( 0.264 -0.005 -0.326) 0.420 2.629 ( 0.663 -0.613 -1.365) 1.637 2.654 ( 0.467 1.036 0.475) 1.232 2.692 ( -1.367 0.680 1.003) 1.826 2.724 ( -1.415 1.509 0.879) 2.248 2.791 ( 0.666 -0.281 0.013) 0.723 2.845 ( 0.445 0.521 -0.034) 0.686 2.863 ( -0.967 -0.746 -0.424) 1.292 2.924 ( -1.813 -1.793 0.493) 2.598 2.986 ( 0.699 -2.978 0.788) 3.159 3.125 ( -1.657 5.964 -0.551) 6.214 3.185 ( 1.588 4.891 0.977) 5.234 3.377 ( -1.772 -3.921 -1.163) 4.457 3.413 ( 1.211 -4.075 -0.363) 4.267 3.584 ( 0.051 0.413 1.467) 1.525 3.667 ( 0.105 -2.127 0.235) 2.142 3.693 ( -0.351 0.389 -0.364) 0.638 3.723 ( -0.590 -0.296 -0.161) 0.680 4.107 ( -0.840 2.980 -0.132) 3.099 4.156 ( -0.691 5.301 -1.421) 5.531 4.206 ( -0.712 -1.066 0.487) 1.371 4.364 ( 3.559 -4.046 -2.181) 5.813 4.632 ( -0.576 8.983 -0.848) 9.041 4.820 ( 3.444 4.983 -5.853) 8.424 5.104 ( 0.400 -4.095 0.408) 4.134 5.140 ( -0.334 -1.829 0.068) 1.861 5.186 ( -1.137 -1.136 -0.059) 1.608 5.233 ( -0.715 -1.895 0.461) 2.077 5.296 ( -3.045 -4.328 4.367) 6.861 5.344 ( -1.270 -1.726 2.121) 3.015 5.377 ( -0.428 0.780 -1.904) 2.102 5.419 ( -0.772 -1.664 0.758) 1.985 5.457 ( -1.664 0.853 0.991) 2.116 5.529 ( -1.153 -1.378 0.550) 1.879 5.608 ( 1.099 -3.632 0.897) 3.899 5.617 ( -1.451 -0.892 3.741) 4.111 5.911 ( 2.707 4.807 -0.400) 5.531 6.007 ( 1.575 0.106 0.499) 1.656 6.054 ( 0.265 2.987 -4.786) 5.648 6.101 ( 0.699 -0.270 -4.233) 4.299 6.110 ( 1.658 1.195 -0.467) 2.097 6.154 ( 2.104 1.362 -3.469) 4.280 6.245 ( -0.925 -0.992 0.145) 1.364 6.270 ( -0.568 -1.526 0.431) 1.685 6.334 ( -2.159 1.036 1.211) 2.683 6.357 ( 0.726 -1.103 1.677) 2.134 6.408 ( 1.159 1.383 0.489) 1.870 6.433 ( 2.162 -1.353 0.944) 2.719 6.450 ( 1.380 -0.675 -0.102) 1.539 6.504 ( 0.663 -0.338 -1.545) 1.715 6.674 ( -3.956 0.959 -2.089) 4.575 6.729 ( 2.864 -0.779 2.895) 4.146 6.878 ( 1.143 -0.216 0.627) 1.321 6.923 ( 1.022 -1.703 -0.209) 1.998 7.063 ( -3.000 0.675 2.892) 4.221 7.108 ( -4.929 -0.435 -0.252) 4.955 7.242 ( 0.110 1.458 1.453) 2.062 7.316 ( 0.350 -2.188 -0.069) 2.217 7.433 ( -0.101 2.473 0.457) 2.516 7.477 ( 2.064 1.322 -1.964) 3.141 7.607 ( -0.588 0.013 3.059) 3.115 7.663 ( -0.251 -1.467 -0.157) 1.497 8.368 ( -1.190 4.108 -0.007) 4.277 8.437 ( 0.786 3.736 -0.522) 3.853 8.580 ( -0.295 -4.628 1.355) 4.831 8.668 ( 0.715 -4.913 0.097) 4.965 8.720 ( 1.882 0.838 -1.063) 2.318 8.767 ( 0.688 -0.322 -2.091) 2.225 8.871 ( -0.301 0.976 0.528) 1.149 8.894 ( -0.782 0.451 0.017) 0.903 8.914 ( 1.775 0.364 0.722) 1.950 8.954 ( 0.999 -2.194 -1.135) 2.665 9.004 ( -0.588 0.751 -0.017) 0.954 9.027 ( 0.654 -0.478 2.647) 2.768 9.064 ( -1.064 0.829 0.115) 1.354 9.146 ( 0.639 1.236 0.702) 1.559 9.264 ( -1.502 -0.533 -1.355) 2.092 9.298 ( -1.702 0.265 -2.377) 2.935 9.531 ( -0.282 3.545 1.115) 3.727 9.613 ( 0.538 1.727 -1.298) 2.227 9.732 ( 0.433 -2.720 -0.102) 2.756 9.742 ( 0.664 -2.544 -0.472) 2.671 9.847 ( -1.870 -0.728 1.846) 2.727 9.858 ( -0.741 -0.944 2.258) 2.558 9.953 ( -0.430 1.300 -1.067) 1.735 9.986 ( 0.770 0.559 -1.540) 1.810 ======================= Grid point 32 (17/39) ======================= q-point: ( 0.40 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.538 ( 6.344 0.983 1.913) 6.699 0.601 ( -3.741 -1.342 -6.002) 7.198 0.629 ( -0.262 -1.588 -4.247) 4.542 0.663 ( -1.616 0.088 -0.379) 1.662 0.689 ( 2.068 0.842 1.097) 2.487 0.739 ( -0.581 -1.268 0.285) 1.423 0.745 ( 0.709 -0.300 0.483) 0.909 0.757 ( 1.985 2.267 0.592) 3.071 0.793 ( -1.411 -0.220 -0.891) 1.683 0.834 ( 1.953 0.814 -0.569) 2.191 0.852 ( -0.014 -0.120 -0.080) 0.145 0.868 ( -1.531 -0.990 0.422) 1.871 0.876 ( -0.632 -0.560 0.549) 1.008 0.919 ( -1.306 0.327 2.569) 2.900 0.940 ( -0.784 -2.310 0.667) 2.529 0.949 ( -0.151 -1.598 0.433) 1.663 0.969 ( 0.809 -0.394 1.094) 1.416 0.979 ( 0.000 -0.035 1.029) 1.029 1.006 ( -1.149 -0.978 1.312) 1.999 1.023 ( 0.327 -0.726 0.685) 1.050 1.033 ( -0.763 -1.748 -0.604) 2.000 1.047 ( 0.543 -0.666 -0.146) 0.872 1.083 ( 0.946 1.164 -1.673) 2.247 1.103 ( -0.035 -0.431 -0.812) 0.920 1.107 ( 0.660 -0.242 -0.943) 1.176 1.128 ( -0.901 -0.150 0.228) 0.941 1.140 ( 0.203 1.249 1.179) 1.730 1.152 ( 0.522 0.313 0.354) 0.704 1.156 ( 0.325 0.566 0.310) 0.723 1.180 ( 0.916 0.447 0.226) 1.044 1.188 ( -0.227 0.600 -0.268) 0.695 1.201 ( -1.740 0.710 1.601) 2.469 1.214 ( -0.677 0.982 1.285) 1.753 1.219 ( -0.614 -0.167 0.795) 1.018 1.242 ( -0.197 -0.095 0.485) 0.533 1.260 ( -0.928 0.149 -0.301) 0.986 1.279 ( 0.167 -1.383 -0.180) 1.404 1.291 ( -0.652 -0.442 -1.127) 1.375 1.316 ( -1.195 -0.351 0.139) 1.253 1.324 ( 1.560 0.521 0.036) 1.645 1.332 ( 0.131 -0.010 0.141) 0.193 1.350 ( -1.084 0.527 0.061) 1.207 1.368 ( -1.554 0.553 1.304) 2.103 1.394 ( 0.449 1.060 2.723) 2.957 1.416 ( -1.880 1.002 1.239) 2.464 1.428 ( 0.879 -0.112 1.398) 1.656 1.443 ( -0.913 0.487 0.265) 1.068 1.470 ( -0.634 0.142 -0.962) 1.161 1.487 ( -0.533 0.027 0.240) 0.585 1.496 ( -0.498 -1.690 0.493) 1.829 1.544 ( -0.022 0.672 1.667) 1.798 1.591 ( 0.503 -0.232 -1.990) 2.065 1.625 ( 1.672 0.283 -1.518) 2.276 1.652 ( -0.224 0.244 -2.861) 2.881 1.660 ( 1.992 1.509 -1.392) 2.860 1.677 ( 0.988 -0.505 -0.130) 1.117 1.686 ( -0.242 0.009 0.220) 0.327 1.717 ( -0.588 1.346 1.840) 2.355 1.720 ( -0.016 1.113 1.455) 1.832 1.759 ( -1.822 2.297 -0.120) 2.935 1.766 ( -0.887 -0.144 2.962) 3.096 1.808 ( 0.039 0.594 -0.250) 0.646 1.856 ( 0.052 -1.796 -0.254) 1.814 1.897 ( 0.317 -1.831 -0.829) 2.035 1.942 ( 0.100 -0.075 1.305) 1.311 1.945 ( -1.100 0.802 0.145) 1.369 1.970 ( 0.385 -2.329 0.764) 2.481 1.999 ( -2.086 -1.442 0.502) 2.585 2.072 ( 1.728 -1.003 0.094) 2.001 2.086 ( -0.201 -1.368 -0.571) 1.496 2.123 ( 0.806 0.678 -0.056) 1.054 2.160 ( 0.249 -0.328 -1.587) 1.640 2.243 ( 1.245 0.457 -0.199) 1.341 2.272 ( 0.360 -0.407 0.359) 0.651 2.294 ( -0.288 -0.084 -1.328) 1.361 2.298 ( 0.192 -0.012 0.655) 0.683 2.399 ( 1.241 -0.087 -1.060) 1.635 2.443 ( 1.522 -1.153 0.273) 1.928 2.448 ( -0.243 0.505 -0.644) 0.854 2.472 ( 1.255 -0.049 0.652) 1.415 2.511 ( 0.443 1.476 -1.256) 1.988 2.578 ( 0.034 0.622 -0.422) 0.753 2.592 ( -0.085 -1.378 -2.406) 2.774 2.622 ( 0.259 -0.932 -2.035) 2.253 2.664 ( -0.095 1.745 0.929) 1.979 2.686 ( -0.179 0.935 0.747) 1.210 2.702 ( -1.757 1.743 0.386) 2.505 2.811 ( 1.481 -0.177 0.313) 1.524 2.818 ( -1.459 -1.074 -1.343) 2.255 2.876 ( 0.014 1.863 -0.276) 1.884 2.886 ( -1.231 -3.419 1.155) 3.813 2.992 ( -0.228 -2.947 -0.876) 3.083 3.104 ( -0.275 5.959 0.615) 5.997 3.206 ( -0.023 5.129 -0.565) 5.160 3.352 ( 0.136 -3.912 0.387) 3.934 3.431 ( 0.570 -4.008 0.350) 4.064 3.601 ( -0.352 0.527 1.601) 1.722 3.666 ( -0.078 -1.259 -0.101) 1.265 3.689 ( -0.041 -0.041 0.290) 0.296 3.713 ( -0.062 -0.374 -0.227) 0.442 4.097 ( -0.142 3.018 0.243) 3.031 4.142 ( 0.005 4.851 -0.569) 4.885 4.203 ( -0.116 -0.720 0.863) 1.130 4.388 ( 1.873 -4.817 -2.527) 5.753 4.623 ( -0.112 8.820 0.086) 8.821 4.813 ( 3.055 5.210 -6.661) 8.991 5.112 ( 0.390 -5.141 0.169) 5.158 5.137 ( -0.608 -0.423 0.239) 0.778 5.181 ( -0.268 -1.114 2.107) 2.398 5.241 ( -0.310 -0.482 2.177) 2.251 5.274 ( -3.212 -5.211 3.178) 6.897 5.346 ( -0.876 -2.386 1.916) 3.183 5.350 ( -0.122 0.592 -1.749) 1.851 5.423 ( 0.191 -1.094 0.738) 1.334 5.454 ( -0.446 0.952 1.888) 2.161 5.510 ( -1.062 -2.410 0.295) 2.650 5.619 ( -1.811 -0.704 2.529) 3.189 5.639 ( 0.546 -2.531 1.626) 3.058 5.938 ( 0.946 5.884 -0.538) 5.984 6.010 ( 0.745 0.950 -3.344) 3.555 6.053 ( 1.513 2.669 -1.049) 3.242 6.063 ( 0.315 0.626 -2.270) 2.376 6.139 ( 2.459 -1.358 -1.303) 3.097 6.160 ( 1.790 1.305 -2.952) 3.691 6.237 ( -1.478 -1.668 0.699) 2.335 6.248 ( -0.001 0.201 -0.352) 0.405 6.303 ( -2.603 1.362 0.838) 3.055 6.370 ( -0.665 -2.637 -0.056) 2.721 6.430 ( 1.773 -0.280 -1.013) 2.061 6.447 ( -0.441 0.605 -1.585) 1.753 6.463 ( -0.850 -0.805 -0.920) 1.489 6.505 ( 1.521 -1.271 -1.112) 2.272 6.634 ( 1.281 3.214 1.207) 3.664 6.805 ( 1.119 -3.089 1.918) 3.804 6.894 ( -0.209 0.760 -0.452) 0.909 6.927 ( -0.291 0.061 0.458) 0.546 7.020 ( -1.264 -0.052 0.634) 1.415 7.047 ( -3.076 -0.209 1.054) 3.258 7.257 ( -0.357 1.297 1.422) 1.958 7.319 ( 0.218 -1.785 -0.187) 1.808 7.434 ( -0.275 2.747 0.525) 2.810 7.494 ( 1.727 0.312 -1.674) 2.425 7.622 ( -1.404 -0.096 2.912) 3.234 7.663 ( 0.080 -1.212 0.439) 1.292 8.356 ( -0.521 4.113 0.711) 4.207 8.446 ( 0.595 3.677 -0.519) 3.761 8.589 ( -0.082 -5.403 1.442) 5.593 8.678 ( -0.167 -4.541 0.651) 4.590 8.757 ( 2.377 0.931 -0.346) 2.577 8.780 ( 2.124 0.168 -0.383) 2.164 8.859 ( -1.461 0.985 -0.094) 1.765 8.880 ( -0.067 0.947 0.375) 1.021 8.943 ( 0.162 -0.930 -0.028) 0.945 8.954 ( -0.028 -2.169 -0.888) 2.344 9.018 ( 0.846 -0.755 1.336) 1.752 9.034 ( -0.942 1.004 -1.015) 1.711 9.057 ( 0.301 -0.632 0.122) 0.711 9.149 ( -0.236 1.171 -0.820) 1.449 9.205 ( -1.686 -0.107 -2.030) 2.641 9.251 ( -0.786 1.415 -1.848) 2.457 9.537 ( -0.393 3.621 0.914) 3.755 9.615 ( 0.818 1.805 -0.794) 2.135 9.735 ( 0.815 -1.750 -0.732) 2.064 9.757 ( 0.453 -3.328 -0.013) 3.358 9.834 ( -1.805 -1.081 2.191) 3.038 9.865 ( -0.967 -0.986 2.029) 2.455 9.937 ( 0.081 1.790 -0.844) 1.980 9.985 ( 0.816 0.523 -1.369) 1.677 ======================= Grid point 33 (18/39) ======================= q-point: (-0.40 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.430 ( -7.305 1.743 -4.603) 8.809 0.502 ( -8.878 2.139 0.670) 9.156 0.635 ( 2.054 -1.710 -0.025) 2.673 0.660 ( 1.273 -0.899 -1.671) 2.284 0.715 ( -1.679 -2.861 1.569) 3.670 0.736 ( 1.111 -2.370 -2.194) 3.415 0.762 ( 0.624 0.597 -0.935) 1.273 0.776 ( 1.943 1.193 1.780) 2.892 0.808 ( 1.510 0.667 0.682) 1.786 0.837 ( -1.149 -0.842 0.676) 1.577 0.848 ( -0.885 -1.228 -0.767) 1.697 0.869 ( 0.558 0.480 -0.919) 1.177 0.883 ( -0.066 -0.342 0.972) 1.033 0.916 ( -0.717 0.451 1.479) 1.704 0.935 ( -0.684 -2.825 0.553) 2.959 0.947 ( -0.002 -1.156 0.012) 1.156 0.960 ( 0.813 1.450 -0.528) 1.744 0.993 ( -0.710 0.136 -0.861) 1.125 1.003 ( -0.816 0.825 1.140) 1.626 1.018 ( -0.883 1.529 -0.159) 1.772 1.034 ( -0.712 1.055 -0.200) 1.288 1.051 ( -0.791 0.550 0.358) 1.028 1.075 ( 0.261 -0.085 -3.789) 3.799 1.085 ( -1.202 0.506 1.041) 1.669 1.093 ( 1.096 0.340 -0.052) 1.148 1.122 ( -3.463 0.748 -0.083) 3.544 1.139 ( -1.071 1.201 0.979) 1.884 1.148 ( 1.431 -0.431 1.803) 2.342 1.152 ( -0.654 0.566 0.344) 0.931 1.162 ( 0.282 -0.833 0.035) 0.880 1.200 ( -1.151 -0.242 2.826) 3.061 1.207 ( 0.424 0.884 0.592) 1.145 1.212 ( -0.563 0.955 -0.725) 1.325 1.220 ( -0.430 -0.550 -0.290) 0.756 1.237 ( 0.816 0.953 -0.048) 1.256 1.248 ( -0.321 0.126 0.825) 0.894 1.263 ( -0.954 -1.239 -0.198) 1.576 1.287 ( -1.428 0.128 0.069) 1.435 1.299 ( 0.106 -0.187 0.756) 0.786 1.309 ( -0.131 -2.206 -1.392) 2.612 1.342 ( -0.373 -0.203 0.391) 0.577 1.352 ( -0.140 -0.502 0.362) 0.634 1.368 ( 1.815 0.879 0.464) 2.070 1.392 ( -0.069 -0.160 -0.083) 0.193 1.435 ( -0.851 -0.268 1.968) 2.161 1.446 ( -0.380 -0.082 0.952) 1.028 1.462 ( 0.806 -1.569 -0.996) 2.025 1.470 ( 1.271 -0.247 -1.266) 1.810 1.484 ( 1.259 0.487 2.436) 2.785 1.504 ( -0.208 -0.756 0.442) 0.900 1.551 ( -0.647 0.682 -0.235) 0.969 1.560 ( -0.039 -0.332 0.225) 0.403 1.615 ( -0.137 0.324 -2.653) 2.676 1.641 ( 0.138 -0.020 -0.523) 0.542 1.652 ( -0.676 2.220 -2.444) 3.370 1.662 ( -0.031 -0.382 -0.509) 0.638 1.695 ( -0.813 0.184 0.095) 0.839 1.712 ( -1.570 1.293 1.377) 2.457 1.734 ( 0.438 0.521 0.037) 0.682 1.768 ( 0.395 1.323 2.565) 2.913 1.778 ( -0.652 -0.087 1.386) 1.535 1.809 ( 0.178 -0.023 0.770) 0.791 1.850 ( -0.207 -1.209 -0.550) 1.345 1.900 ( 0.873 -0.377 -0.796) 1.240 1.952 ( 1.241 0.458 0.562) 1.437 1.972 ( 0.946 0.345 1.439) 1.756 1.988 ( 0.151 -2.317 1.801) 2.939 2.009 ( 1.623 -1.926 1.594) 2.981 2.070 ( 0.342 -0.313 -0.207) 0.508 2.113 ( 1.741 -1.661 -0.819) 2.542 2.153 ( 1.263 0.853 0.158) 1.533 2.164 ( 1.491 -0.002 0.538) 1.585 2.250 ( -0.289 0.053 -1.024) 1.065 2.263 ( -0.761 0.796 -0.974) 1.470 2.269 ( -0.678 -0.428 0.733) 1.086 2.312 ( 0.206 -0.440 -0.212) 0.530 2.388 ( -0.902 0.217 -0.883) 1.281 2.417 ( -1.060 0.551 -1.314) 1.776 2.461 ( 0.030 -2.654 0.203) 2.662 2.485 ( -1.213 -1.400 0.579) 1.940 2.539 ( 2.002 0.534 -0.258) 2.088 2.567 ( 1.325 -0.369 -4.441) 4.649 2.572 ( 0.426 0.203 -0.730) 0.869 2.606 ( 0.318 -0.618 -0.971) 1.194 2.658 ( -0.847 1.475 0.433) 1.755 2.676 ( -1.271 0.586 0.391) 1.453 2.711 ( 1.357 0.645 1.263) 1.963 2.781 ( -0.651 -1.650 -1.627) 2.407 2.849 ( 1.458 -0.093 0.708) 1.624 2.857 ( -0.223 0.711 0.744) 1.053 2.903 ( 0.377 -1.592 0.434) 1.692 2.958 ( -1.303 -2.475 -2.344) 3.649 3.133 ( 1.948 6.133 1.492) 6.606 3.172 ( -1.983 6.578 -1.684) 7.074 3.379 ( 1.009 -3.519 1.222) 3.860 3.438 ( 0.021 -4.173 -0.079) 4.174 3.601 ( -1.234 0.025 1.623) 2.039 3.659 ( -0.868 -1.682 0.297) 1.916 3.699 ( 0.853 0.372 -0.045) 0.932 3.718 ( 0.534 -0.098 0.248) 0.597 4.105 ( 0.487 3.104 0.537) 3.188 4.141 ( 0.743 3.671 -0.723) 3.815 4.222 ( 0.556 0.513 1.742) 1.899 4.376 ( 0.059 -4.528 -3.645) 5.813 4.635 ( 1.597 9.227 0.008) 9.364 4.799 ( 3.322 5.719 -6.921) 9.573 5.118 ( -0.579 -2.806 0.590) 2.925 5.129 ( -0.526 -0.416 0.893) 1.117 5.211 ( 0.456 -3.275 2.633) 4.227 5.241 ( -2.833 -1.211 3.244) 4.474 5.271 ( 0.489 -3.159 0.663) 3.264 5.344 ( 1.179 -3.963 -0.822) 4.216 5.355 ( -0.611 -1.464 2.463) 2.930 5.432 ( -0.176 -1.388 0.583) 1.516 5.474 ( -0.111 1.271 2.527) 2.831 5.503 ( 0.383 -1.493 -0.366) 1.584 5.603 ( -2.494 0.230 2.320) 3.414 5.653 ( -1.450 -2.545 2.044) 3.572 5.931 ( -0.946 7.034 -1.642) 7.285 6.005 ( 1.636 0.943 -2.053) 2.789 6.032 ( 0.394 0.865 -2.107) 2.311 6.091 ( 2.091 3.641 -0.424) 4.220 6.127 ( -0.345 -0.244 -4.424) 4.444 6.153 ( 0.708 -0.077 -2.792) 2.882 6.241 ( 1.151 -2.556 1.111) 3.015 6.265 ( -0.969 0.095 0.033) 0.974 6.277 ( 1.743 0.590 0.643) 1.950 6.345 ( -0.626 -2.503 -0.954) 2.751 6.382 ( -2.492 1.882 -2.625) 4.080 6.431 ( -0.146 -0.893 -2.395) 2.560 6.464 ( 0.749 -0.943 0.872) 1.487 6.512 ( 0.168 -2.437 -1.236) 2.738 6.719 ( 2.890 1.799 3.726) 5.047 6.736 ( -5.301 1.316 -0.377) 5.476 6.925 ( -0.405 -0.565 -0.281) 0.749 6.934 ( 1.719 -0.503 0.805) 1.963 6.995 ( -2.573 -0.041 0.866) 2.715 7.049 ( 2.595 -1.532 0.847) 3.131 7.256 ( -1.083 1.586 1.006) 2.168 7.324 ( 0.277 -1.621 0.410) 1.695 7.436 ( -0.218 2.941 0.827) 3.063 7.500 ( 0.827 0.503 -1.973) 2.198 7.612 ( -2.833 0.239 2.710) 3.928 7.673 ( 0.073 -1.481 0.928) 1.749 8.365 ( 0.384 4.280 1.145) 4.447 8.445 ( -0.009 3.538 -0.647) 3.597 8.610 ( -0.150 -5.616 2.740) 6.250 8.672 ( -0.797 -4.742 -0.202) 4.813 8.780 ( 0.245 1.291 0.419) 1.379 8.826 ( 0.150 1.061 -2.124) 2.379 8.827 ( 0.897 -0.929 1.515) 1.991 8.905 ( 1.449 1.029 1.755) 2.497 8.911 ( -2.355 -1.673 -0.931) 3.035 8.941 ( -0.174 -0.575 -1.991) 2.080 9.005 ( -0.983 0.222 1.120) 1.507 9.035 ( -1.848 0.233 -0.057) 1.864 9.056 ( 0.935 -1.037 0.352) 1.440 9.110 ( -1.181 -0.687 -2.281) 2.659 9.215 ( 3.448 0.802 -1.096) 3.705 9.226 ( 0.885 2.433 -3.523) 4.372 9.535 ( -0.822 3.418 0.924) 3.635 9.624 ( 1.031 2.152 -0.919) 2.557 9.733 ( -0.766 -3.295 -0.202) 3.389 9.768 ( 1.596 -1.098 -0.574) 2.020 9.827 ( -1.740 -1.209 2.551) 3.317 9.865 ( -1.161 -1.063 2.006) 2.549 9.943 ( 1.239 1.749 -0.656) 2.241 9.987 ( 0.898 0.634 -1.345) 1.737 ======================= Grid point 34 (19/39) ======================= q-point: (-0.20 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.308 ( -4.372 6.215 4.558) 8.861 0.379 ( -6.686 6.897 5.720) 11.180 0.632 ( -0.736 -3.764 -0.334) 3.850 0.669 ( -1.056 0.364 0.727) 1.333 0.698 ( -2.988 0.431 4.434) 5.364 0.721 ( -0.033 -0.167 -2.253) 2.260 0.750 ( -5.342 2.881 0.324) 6.077 0.781 ( 0.404 1.083 -0.771) 1.390 0.817 ( -0.523 1.331 -0.712) 1.597 0.821 ( 0.219 0.189 -0.512) 0.588 0.832 ( 0.813 -0.822 0.324) 1.201 0.857 ( -0.583 -0.660 0.048) 0.882 0.890 ( -0.268 -0.066 -0.937) 0.977 0.912 ( 0.561 -0.055 -0.184) 0.593 0.930 ( 0.770 -1.157 -0.645) 1.533 0.936 ( -0.737 -0.038 -0.737) 1.043 0.959 ( 0.260 1.071 1.582) 1.928 0.985 ( -0.788 -0.807 0.566) 1.262 1.002 ( 0.828 0.583 -0.416) 1.095 1.017 ( -0.175 0.473 0.601) 0.785 1.040 ( 0.126 1.414 0.042) 1.421 1.055 ( 1.718 -0.080 0.364) 1.758 1.066 ( 1.095 -0.466 -0.609) 1.337 1.086 ( -0.439 -0.651 0.978) 1.254 1.101 ( 0.996 0.612 -0.215) 1.188 1.114 ( 1.082 0.315 -1.335) 1.747 1.128 ( -0.392 1.313 -0.005) 1.370 1.143 ( -0.471 0.321 0.829) 1.006 1.164 ( -0.148 -0.668 -0.694) 0.974 1.178 ( -0.835 0.094 -0.457) 0.957 1.191 ( -0.468 -0.950 0.493) 1.168 1.205 ( -1.200 0.195 0.917) 1.523 1.211 ( -1.641 -0.551 2.500) 3.041 1.213 ( 0.446 -0.789 1.402) 1.670 1.230 ( -0.687 0.790 0.288) 1.086 1.255 ( 0.244 -0.728 0.554) 0.947 1.267 ( -0.401 -0.930 -1.673) 1.956 1.277 ( 1.316 0.666 0.826) 1.691 1.296 ( 0.242 0.496 1.438) 1.540 1.316 ( 0.295 -0.902 -0.769) 1.221 1.333 ( -0.150 -0.367 -0.260) 0.474 1.367 ( -0.607 -1.095 2.488) 2.785 1.374 ( -0.006 -1.833 -0.187) 1.842 1.416 ( -1.424 -1.106 -0.513) 1.874 1.431 ( 1.566 0.215 0.336) 1.616 1.441 ( 0.865 1.689 -0.056) 1.898 1.471 ( 0.165 -1.268 -1.420) 1.911 1.483 ( 1.474 2.134 -1.251) 2.880 1.501 ( -0.306 0.735 -0.072) 0.800 1.517 ( 1.568 -1.825 1.262) 2.717 1.543 ( -0.388 -0.043 -0.503) 0.637 1.575 ( 0.659 -0.301 -0.208) 0.753 1.589 ( -0.255 -0.615 -1.650) 1.780 1.607 ( -0.504 0.461 -0.755) 1.018 1.647 ( -0.457 0.739 -0.695) 1.113 1.660 ( -0.442 0.319 2.412) 2.473 1.674 ( -0.772 -1.879 0.534) 2.100 1.721 ( -0.405 1.049 1.652) 1.999 1.732 ( -0.618 0.590 0.310) 0.909 1.763 ( -0.991 0.003 -0.237) 1.019 1.790 ( -0.017 0.536 1.234) 1.346 1.811 ( -1.550 -1.123 1.477) 2.418 1.843 ( -0.551 0.065 0.144) 0.574 1.913 ( 1.657 0.320 -1.133) 2.032 1.971 ( 0.601 0.284 -0.908) 1.125 2.002 ( 0.139 -2.015 2.088) 2.905 2.014 ( -0.061 -2.135 1.457) 2.585 2.035 ( 0.522 -1.376 0.365) 1.517 2.097 ( 1.575 -0.370 -0.582) 1.719 2.121 ( 1.012 -1.387 -1.337) 2.176 2.166 ( 1.524 0.976 -2.811) 3.344 2.195 ( 0.390 0.315 0.717) 0.875 2.219 ( -0.527 1.107 -1.476) 1.919 2.243 ( -1.602 -0.515 0.524) 1.763 2.271 ( -0.763 -0.943 1.480) 1.914 2.286 ( -1.908 -0.240 -2.302) 2.999 2.368 ( -0.314 0.601 0.202) 0.708 2.395 ( -0.508 0.759 -0.234) 0.943 2.444 ( -0.722 -2.346 -0.641) 2.537 2.469 ( -0.746 -1.603 0.440) 1.822 2.546 ( 0.336 0.827 -1.972) 2.165 2.552 ( 1.264 -0.224 -1.457) 1.942 2.583 ( 1.734 0.455 -1.213) 2.165 2.621 ( 1.463 -0.689 -1.146) 1.983 2.652 ( -0.131 0.508 -0.086) 0.532 2.679 ( -0.083 -0.430 2.816) 2.850 2.744 ( 0.871 0.189 0.001) 0.891 2.769 ( 0.456 -0.812 0.046) 0.932 2.849 ( -0.731 0.565 0.286) 0.967 2.886 ( 0.207 -1.558 0.225) 1.588 2.915 ( 0.557 -0.758 0.788) 1.227 2.917 ( 0.130 -0.478 -1.033) 1.146 3.125 ( -1.009 7.648 -0.865) 7.762 3.180 ( 1.203 5.721 0.663) 5.883 3.400 ( 0.411 -2.903 0.689) 3.012 3.429 ( -0.330 -4.076 -1.147) 4.247 3.594 ( -1.227 -1.007 1.201) 1.991 3.647 ( -0.785 -2.363 0.746) 2.599 3.711 ( 0.657 0.705 -0.540) 1.104 3.731 ( 0.292 0.062 0.505) 0.587 4.118 ( 0.294 2.979 0.209) 3.001 4.160 ( 2.414 2.415 -0.968) 3.549 4.251 ( 0.664 1.306 1.414) 2.036 4.311 ( -2.243 -1.777 -4.427) 5.271 4.674 ( 3.553 9.754 -3.162) 10.852 4.796 ( 3.890 5.719 -6.157) 9.260 5.103 ( -1.180 -2.176 0.086) 2.477 5.138 ( -0.160 -0.182 1.908) 1.923 5.227 ( -1.553 -2.040 3.047) 3.982 5.238 ( 0.383 -3.744 0.427) 3.788 5.279 ( -0.399 -1.812 0.272) 1.875 5.365 ( -0.781 -3.995 2.860) 4.975 5.382 ( 1.887 -3.892 0.147) 4.328 5.429 ( -0.465 -1.804 0.110) 1.866 5.491 ( -0.510 0.348 1.644) 1.757 5.520 ( 1.403 -0.637 0.100) 1.545 5.589 ( -2.055 0.866 3.488) 4.140 5.622 ( -3.934 -2.471 1.697) 4.946 5.863 ( -2.264 8.517 -3.435) 9.458 6.016 ( -0.421 0.864 0.064) 0.964 6.022 ( 1.771 1.240 -2.162) 3.057 6.086 ( 2.216 0.792 -4.200) 4.815 6.122 ( 1.375 0.906 -1.332) 2.118 6.148 ( 0.837 2.492 -1.015) 2.818 6.243 ( -0.765 -3.789 -0.586) 3.910 6.266 ( 1.008 0.696 0.802) 1.464 6.321 ( 1.489 0.493 1.269) 2.017 6.334 ( -1.126 1.173 -0.052) 1.626 6.368 ( 1.390 -0.693 1.310) 2.032 6.391 ( 0.137 -0.517 -2.763) 2.814 6.478 ( -0.723 -1.493 -0.647) 1.780 6.494 ( -0.196 -2.191 -0.740) 2.321 6.636 ( -2.863 3.863 0.210) 4.813 6.829 ( 1.798 -3.928 3.794) 5.749 6.872 ( -2.297 -0.088 -1.670) 2.841 6.924 ( -3.011 -2.225 0.468) 3.773 7.011 ( 1.608 1.804 2.213) 3.277 7.126 ( 3.782 -2.018 1.045) 4.412 7.244 ( -0.604 2.233 0.103) 2.316 7.337 ( 0.039 -2.306 0.949) 2.494 7.440 ( -0.612 2.229 0.844) 2.460 7.483 ( 0.054 1.951 -2.429) 3.116 7.589 ( -2.481 0.290 3.053) 3.945 7.679 ( -0.429 -1.921 0.722) 2.097 8.387 ( 0.897 4.110 0.423) 4.228 8.435 ( -0.144 3.530 -0.840) 3.631 8.618 ( -2.325 -6.584 1.184) 7.082 8.659 ( -0.305 -4.889 0.953) 4.991 8.761 ( -2.719 0.821 -0.853) 2.965 8.798 ( 0.430 2.278 -1.103) 2.567 8.862 ( -0.831 -2.190 1.120) 2.596 8.867 ( 0.339 0.221 -0.432) 0.592 8.925 ( 0.247 -0.721 -0.647) 1.000 8.951 ( 0.648 0.765 1.936) 2.181 8.977 ( -1.195 -0.492 -2.375) 2.704 9.035 ( -0.267 -1.325 2.226) 2.604 9.067 ( 0.429 0.718 0.742) 1.118 9.096 ( 0.312 0.362 0.187) 0.513 9.217 ( 3.912 4.145 -3.913) 6.914 9.273 ( 3.609 -0.604 -0.877) 3.763 9.529 ( -0.913 3.225 1.151) 3.544 9.629 ( 0.895 2.665 -1.708) 3.289 9.715 ( -0.610 -3.571 -0.218) 3.629 9.791 ( 1.137 -2.383 -1.167) 2.887 9.823 ( -1.798 -0.286 3.487) 3.934 9.866 ( -1.080 -1.092 1.948) 2.481 9.960 ( 1.370 1.729 -0.916) 2.388 9.990 ( 1.038 0.717 -1.487) 1.950 ======================= Grid point 35 (20/39) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 38 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.502 ( 1.732 -6.021 3.348) 7.104 0.502 ( 1.732 6.021 3.348) 7.104 0.564 ( -2.226 -4.705 8.156) 9.676 0.564 ( -2.226 4.705 8.156) 9.676 0.707 ( 1.048 -1.063 -3.623) 3.918 0.707 ( 1.048 1.063 -3.623) 3.918 0.797 ( 0.066 -1.509 -1.066) 1.849 0.797 ( 0.066 1.509 -1.066) 1.849 0.826 ( 1.827 -0.607 -0.291) 1.947 0.826 ( 1.827 0.607 -0.291) 1.947 0.857 ( 0.081 -1.240 0.060) 1.244 0.857 ( 0.081 1.240 0.060) 1.244 0.878 ( -2.247 -1.477 -1.418) 3.039 0.878 ( -2.247 1.477 -1.418) 3.039 0.927 ( 0.671 -0.894 -0.642) 1.289 0.927 ( 0.671 0.894 -0.642) 1.289 0.994 ( -0.994 -0.312 -0.058) 1.043 0.994 ( -0.994 0.312 -0.058) 1.043 1.013 ( -0.106 -0.603 -1.036) 1.204 1.013 ( -0.106 0.603 -1.036) 1.204 1.054 ( -0.789 -0.634 0.170) 1.026 1.054 ( -0.789 0.634 0.170) 1.026 1.079 ( 1.576 -3.096 1.689) 3.863 1.079 ( 1.576 3.096 1.689) 3.863 1.124 ( -1.003 -3.421 2.618) 4.423 1.124 ( -1.003 3.421 2.618) 4.423 1.139 ( -1.487 -1.602 0.092) 2.188 1.139 ( -1.487 1.602 0.092) 2.188 1.153 ( 0.749 -1.108 -0.486) 1.423 1.153 ( 0.749 1.108 -0.486) 1.423 1.193 ( 0.128 -0.628 0.183) 0.666 1.193 ( 0.128 0.628 0.183) 0.666 1.221 ( -0.067 -1.110 0.733) 1.332 1.221 ( -0.067 1.110 0.733) 1.332 1.245 ( 0.562 -2.706 0.542) 2.816 1.245 ( 0.562 2.706 0.542) 2.816 1.254 ( -0.772 -0.627 1.697) 1.967 1.254 ( -0.772 0.627 1.697) 1.967 1.302 ( -0.997 -0.423 -0.239) 1.109 1.302 ( -0.997 0.423 -0.239) 1.109 1.350 ( 1.714 -2.212 0.188) 2.804 1.350 ( 1.714 2.212 0.188) 2.804 1.379 ( -1.046 -1.105 1.725) 2.300 1.379 ( -1.046 1.105 1.725) 2.300 1.442 ( -0.537 -1.211 -1.927) 2.338 1.442 ( -0.537 1.211 -1.927) 2.338 1.489 ( 0.073 -0.383 -0.238) 0.457 1.489 ( 0.073 0.383 -0.238) 0.457 1.510 ( 0.131 -1.109 -0.085) 1.119 1.510 ( 0.131 1.109 -0.085) 1.119 1.550 ( 0.780 -0.963 -1.248) 1.759 1.550 ( 0.780 0.963 -1.248) 1.759 1.614 ( 2.141 -2.360 -0.504) 3.226 1.614 ( 2.141 2.360 -0.504) 3.226 1.650 ( 0.728 -0.257 1.998) 2.142 1.650 ( 0.728 0.257 1.998) 2.142 1.690 ( -1.172 -1.723 1.119) 2.365 1.690 ( -1.172 1.723 1.119) 2.365 1.732 ( -1.988 -0.642 1.863) 2.799 1.732 ( -1.988 0.642 1.863) 2.799 1.806 ( 0.618 -1.507 -0.090) 1.631 1.806 ( 0.618 1.507 -0.090) 1.631 1.886 ( -0.299 -3.308 -1.376) 3.595 1.886 ( -0.299 3.308 -1.376) 3.595 1.965 ( -2.009 -1.770 -0.162) 2.682 1.965 ( -2.009 1.770 -0.162) 2.682 2.006 ( 0.527 -1.223 0.424) 1.398 2.006 ( 0.527 1.223 0.424) 1.398 2.106 ( 0.245 -0.820 -1.199) 1.473 2.106 ( 0.245 0.820 -1.199) 1.473 2.180 ( -0.842 -2.061 -3.593) 4.227 2.180 ( -0.842 2.061 -3.593) 4.227 2.206 ( 0.143 -1.355 0.631) 1.501 2.206 ( 0.143 1.355 0.631) 1.501 2.273 ( 1.398 -1.419 0.570) 2.072 2.273 ( 1.398 1.419 0.570) 2.072 2.380 ( -0.323 -0.148 -0.618) 0.713 2.380 ( -0.323 0.148 -0.618) 0.713 2.442 ( -0.090 -0.848 1.237) 1.503 2.442 ( -0.090 0.848 1.237) 1.503 2.557 ( 1.482 -0.510 -1.023) 1.871 2.557 ( 1.482 0.510 -1.023) 1.871 2.616 ( 1.073 -0.891 -0.849) 1.633 2.616 ( 1.073 0.891 -0.849) 1.633 2.676 ( -0.535 -1.480 1.461) 2.148 2.676 ( -0.535 1.480 1.461) 2.148 2.766 ( 0.360 -1.002 0.306) 1.108 2.766 ( 0.360 1.002 0.306) 1.108 2.859 ( -0.104 -0.900 -0.037) 0.907 2.859 ( -0.104 0.900 -0.037) 0.907 2.924 ( 0.177 -0.644 0.609) 0.904 2.924 ( 0.177 0.644 0.609) 0.904 3.281 ( 0.641 -7.074 -0.874) 7.157 3.281 ( 0.641 7.074 -0.874) 7.157 3.308 ( -1.217 -5.972 -0.458) 6.112 3.308 ( -1.217 5.972 -0.458) 6.112 3.598 ( -0.278 -2.017 1.377) 2.458 3.598 ( -0.278 2.017 1.377) 2.458 3.725 ( -0.060 -0.688 -0.949) 1.174 3.725 ( -0.060 0.688 -0.949) 1.174 4.175 ( -0.134 -2.026 0.327) 2.056 4.175 ( -0.134 2.026 0.327) 2.056 4.273 ( 0.672 -2.329 -1.901) 3.081 4.273 ( 0.672 2.329 -1.901) 3.081 4.848 ( 1.816 -6.179 -3.746) 7.451 4.848 ( 1.816 6.179 -3.746) 7.451 5.056 ( 0.242 -5.524 -2.240) 5.965 5.056 ( 0.242 5.524 -2.240) 5.965 5.196 ( -1.686 -1.424 2.038) 3.004 5.196 ( -1.686 1.424 2.038) 3.004 5.306 ( -0.568 -3.135 1.615) 3.572 5.306 ( -0.568 3.135 1.615) 3.572 5.389 ( 0.399 -1.150 0.013) 1.218 5.389 ( 0.399 1.150 0.013) 1.218 5.504 ( -0.689 -1.564 1.092) 2.028 5.504 ( -0.689 1.564 1.092) 2.028 5.581 ( -2.656 -1.279 3.667) 4.705 5.581 ( -2.656 1.279 3.667) 4.705 5.959 ( 1.320 -3.703 -3.269) 5.113 5.959 ( 1.320 3.703 -3.269) 5.113 6.094 ( 3.157 -1.059 -1.850) 3.809 6.094 ( 3.157 1.059 -1.850) 3.809 6.152 ( 0.269 -2.179 -0.984) 2.406 6.152 ( 0.269 2.179 -0.984) 2.406 6.243 ( -0.142 -2.410 0.193) 2.422 6.243 ( -0.142 2.410 0.193) 2.422 6.357 ( -0.668 -1.701 1.758) 2.536 6.357 ( -0.668 1.701 1.758) 2.536 6.403 ( 0.940 -0.019 -0.597) 1.114 6.403 ( 0.940 0.019 -0.597) 1.114 6.441 ( 0.261 -2.690 0.540) 2.756 6.441 ( 0.261 2.690 0.540) 2.756 6.710 ( -0.223 -3.476 0.098) 3.485 6.710 ( -0.223 3.476 0.098) 3.485 6.868 ( -0.604 -0.520 0.602) 0.999 6.868 ( -0.604 0.520 0.602) 0.999 7.114 ( -0.665 -2.852 2.266) 3.703 7.114 ( -0.665 2.852 2.266) 3.703 7.276 ( -0.304 -1.563 -0.641) 1.716 7.276 ( -0.304 1.563 -0.641) 1.716 7.477 ( 0.001 -1.643 -0.359) 1.682 7.477 ( 0.001 1.643 -0.359) 1.682 7.622 ( -0.666 -2.567 1.090) 2.867 7.622 ( -0.666 2.567 1.090) 2.867 8.477 ( -0.302 -3.686 0.178) 3.703 8.477 ( -0.302 3.686 0.178) 3.703 8.540 ( -0.169 -4.846 0.064) 4.849 8.540 ( -0.169 4.846 0.064) 4.849 8.762 ( -1.308 -2.441 -1.748) 3.275 8.762 ( -1.308 2.441 -1.748) 3.275 8.868 ( 1.658 -1.947 0.204) 2.565 8.868 ( 1.658 1.947 0.204) 2.565 8.933 ( 0.309 -1.131 -0.749) 1.391 8.933 ( 0.309 1.131 -0.749) 1.391 9.001 ( -0.907 -1.651 1.318) 2.299 9.001 ( -0.907 1.651 1.318) 2.299 9.111 ( 0.029 -1.434 2.142) 2.578 9.111 ( 0.029 1.434 2.142) 2.578 9.287 ( 1.769 -1.352 -1.467) 2.666 9.287 ( 1.769 1.352 -1.467) 2.666 9.618 ( 0.018 -4.711 0.463) 4.734 9.618 ( 0.018 4.711 0.463) 4.734 9.697 ( 0.298 -3.815 -2.441) 4.539 9.697 ( 0.298 3.815 -2.441) 4.539 9.846 ( -1.440 -0.602 2.593) 3.026 9.846 ( -1.440 0.602 2.593) 3.026 9.988 ( 0.539 -0.590 -1.476) 1.678 9.988 ( 0.539 0.590 -1.476) 1.678 ======================= Grid point 37 (21/39) ======================= q-point: ( 0.20 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 38 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.543 ( 1.377 -6.627 2.279) 7.142 0.543 ( 1.377 6.627 2.279) 7.142 0.653 ( 0.652 -2.296 3.417) 4.168 0.653 ( 0.652 2.296 3.417) 4.168 0.678 ( 0.791 -0.744 -2.757) 2.963 0.678 ( 0.791 0.744 -2.757) 2.963 0.788 ( -0.237 -1.943 0.372) 1.992 0.788 ( -0.237 1.943 0.372) 1.992 0.810 ( -1.470 -2.030 -0.351) 2.531 0.810 ( -1.470 2.030 -0.351) 2.531 0.853 ( -0.799 -0.569 0.503) 1.103 0.853 ( -0.799 0.569 0.503) 1.103 0.884 ( 2.586 -0.481 0.305) 2.648 0.884 ( 2.586 0.481 0.305) 2.648 0.926 ( -1.827 -0.309 0.278) 1.874 0.926 ( -1.827 0.309 0.278) 1.874 0.981 ( 0.983 -1.239 -0.842) 1.792 0.981 ( 0.983 1.239 -0.842) 1.792 1.002 ( -0.779 -0.917 -0.155) 1.213 1.002 ( -0.779 0.917 -0.155) 1.213 1.042 ( -0.917 -0.905 -0.118) 1.294 1.042 ( -0.917 0.905 -0.118) 1.294 1.077 ( -0.124 -0.282 -0.047) 0.312 1.077 ( -0.124 0.282 -0.047) 0.312 1.116 ( -0.117 -1.049 -0.313) 1.100 1.116 ( -0.117 1.049 -0.313) 1.100 1.152 ( -0.133 -0.444 1.708) 1.769 1.152 ( -0.133 0.444 1.708) 1.769 1.176 ( 0.781 -1.190 -0.323) 1.460 1.176 ( 0.781 1.190 -0.323) 1.460 1.194 ( -0.491 -0.919 0.315) 1.088 1.194 ( -0.491 0.919 0.315) 1.088 1.220 ( 0.046 -0.744 0.677) 1.006 1.220 ( 0.046 0.744 0.677) 1.006 1.259 ( 0.598 -1.269 -0.792) 1.611 1.259 ( 0.598 1.269 -0.792) 1.611 1.276 ( 0.409 -0.682 2.496) 2.620 1.276 ( 0.409 0.682 2.496) 2.620 1.303 ( 0.974 -1.407 1.106) 2.038 1.303 ( 0.974 1.407 1.106) 2.038 1.339 ( -2.250 -0.880 -1.175) 2.687 1.339 ( -2.250 0.880 -1.175) 2.687 1.393 ( 0.323 -0.842 2.065) 2.253 1.393 ( 0.323 0.842 2.065) 2.253 1.426 ( 0.434 -1.309 0.328) 1.418 1.426 ( 0.434 1.309 0.328) 1.418 1.477 ( -2.063 -0.976 -0.302) 2.303 1.477 ( -2.063 0.976 -0.302) 2.303 1.503 ( 0.244 -0.859 0.001) 0.892 1.503 ( 0.244 0.859 0.001) 0.892 1.567 ( -0.220 -0.331 0.202) 0.446 1.567 ( -0.220 0.331 0.202) 0.446 1.627 ( 1.426 -2.989 -0.528) 3.354 1.627 ( 1.426 2.989 -0.528) 3.354 1.669 ( 0.427 -0.300 -0.077) 0.528 1.669 ( 0.427 0.300 -0.077) 0.528 1.707 ( 0.999 -1.583 0.010) 1.872 1.707 ( 0.999 1.583 0.010) 1.872 1.729 ( -0.985 -0.145 3.026) 3.186 1.729 ( -0.985 0.145 3.026) 3.186 1.807 ( 0.002 -1.013 -0.353) 1.073 1.807 ( 0.002 1.013 -0.353) 1.073 1.864 ( -0.188 -2.622 -1.655) 3.106 1.864 ( -0.188 2.622 -1.655) 3.106 1.926 ( -1.658 -1.671 0.240) 2.366 1.926 ( -1.658 1.671 0.240) 2.366 2.014 ( -0.626 -0.412 0.006) 0.749 2.014 ( -0.626 0.412 0.006) 0.749 2.072 ( -1.251 -1.532 -1.660) 2.582 2.072 ( -1.251 1.532 -1.660) 2.582 2.145 ( 0.037 -1.717 -1.726) 2.435 2.145 ( 0.037 1.717 -1.726) 2.435 2.232 ( 1.884 -1.106 -0.132) 2.189 2.232 ( 1.884 1.106 -0.132) 2.189 2.298 ( 0.509 -0.560 0.314) 0.820 2.298 ( 0.509 0.560 0.314) 0.820 2.385 ( 1.764 -1.195 -0.441) 2.176 2.385 ( 1.764 1.195 -0.441) 2.176 2.450 ( 0.039 -0.560 0.663) 0.869 2.450 ( 0.039 0.560 0.663) 0.869 2.571 ( 0.947 -1.020 -1.683) 2.184 2.571 ( 0.947 1.020 -1.683) 2.184 2.615 ( -0.128 -0.731 -0.845) 1.124 2.615 ( -0.128 0.731 -0.845) 1.124 2.679 ( -0.792 -1.178 1.850) 2.332 2.679 ( -0.792 1.178 1.850) 2.332 2.772 ( 0.080 -1.816 0.184) 1.828 2.772 ( 0.080 1.816 0.184) 1.828 2.851 ( -0.912 -0.437 -0.379) 1.080 2.851 ( -0.912 0.437 -0.379) 1.080 2.928 ( -0.086 -2.042 0.513) 2.108 2.928 ( -0.086 2.042 0.513) 2.108 3.258 ( -1.625 -5.745 -1.375) 6.127 3.258 ( -1.625 5.745 -1.375) 6.127 3.306 ( 1.070 -5.125 0.586) 5.268 3.306 ( 1.070 5.125 0.586) 5.268 3.615 ( 0.235 -2.245 1.445) 2.680 3.615 ( 0.235 2.245 1.445) 2.680 3.710 ( -0.270 -0.866 -1.039) 1.379 3.710 ( -0.270 0.866 -1.039) 1.379 4.169 ( -0.725 -2.470 0.199) 2.581 4.169 ( -0.725 2.470 0.199) 2.581 4.267 ( 0.825 -4.932 -1.677) 5.274 4.267 ( 0.825 4.932 -1.677) 5.274 4.841 ( 1.238 -8.317 -2.795) 8.861 4.841 ( 1.238 8.317 -2.795) 8.861 5.044 ( 1.027 -5.943 -2.094) 6.385 5.044 ( 1.027 5.943 -2.094) 6.385 5.184 ( -1.800 -0.587 2.117) 2.840 5.184 ( -1.800 0.587 2.117) 2.840 5.301 ( -1.944 -2.618 2.083) 3.869 5.301 ( -1.944 2.618 2.083) 3.869 5.394 ( 0.173 -0.795 0.037) 0.814 5.394 ( 0.173 0.795 0.037) 0.814 5.494 ( -0.989 -2.735 0.062) 2.909 5.494 ( -0.989 2.735 0.062) 2.909 5.581 ( -1.412 -1.615 3.665) 4.247 5.581 ( -1.412 1.615 3.665) 4.247 5.989 ( 3.184 -2.318 -0.098) 3.940 5.989 ( 3.184 2.318 -0.098) 3.940 6.090 ( 1.090 -0.864 -5.858) 6.021 6.090 ( 1.090 0.864 -5.858) 6.021 6.150 ( 0.322 -2.631 -0.729) 2.749 6.150 ( 0.322 2.631 -0.729) 2.749 6.245 ( 0.218 -1.226 0.099) 1.249 6.245 ( 0.218 1.226 0.099) 1.249 6.348 ( -1.870 -0.277 1.848) 2.643 6.348 ( -1.870 0.277 1.848) 2.643 6.413 ( 1.062 -0.107 -0.143) 1.077 6.413 ( 1.062 0.107 -0.143) 1.077 6.474 ( 1.349 -2.128 0.400) 2.551 6.474 ( 1.349 2.128 0.400) 2.551 6.703 ( -0.193 -1.545 -0.211) 1.571 6.703 ( -0.193 1.545 -0.211) 1.571 6.888 ( 1.608 -1.234 0.666) 2.133 6.888 ( 1.608 1.234 0.666) 2.133 7.086 ( -3.897 -1.300 1.575) 4.400 7.086 ( -3.897 1.300 1.575) 4.400 7.278 ( 0.563 -1.655 0.079) 1.750 7.278 ( 0.563 1.655 0.079) 1.750 7.478 ( 0.413 -1.370 -0.310) 1.464 7.478 ( 0.413 1.370 -0.310) 1.464 7.625 ( -0.189 -1.737 1.039) 2.033 7.625 ( -0.189 1.737 1.039) 2.033 8.469 ( -0.688 -4.988 0.165) 5.038 8.469 ( -0.688 4.988 0.165) 5.038 8.547 ( 0.635 -5.733 0.050) 5.768 8.547 ( 0.635 5.733 0.050) 5.768 8.744 ( 1.210 -1.436 -1.117) 2.185 8.744 ( 1.210 1.436 -1.117) 2.185 8.891 ( 0.345 -0.959 0.165) 1.033 8.891 ( 0.345 0.959 0.165) 1.033 8.932 ( 0.135 -0.374 -0.493) 0.633 8.932 ( 0.135 0.374 -0.493) 0.633 9.000 ( 0.068 -0.746 0.829) 1.117 9.000 ( 0.068 0.746 0.829) 1.117 9.127 ( -0.768 -2.980 1.657) 3.495 9.127 ( -0.768 2.980 1.657) 3.495 9.276 ( -0.893 -1.621 -1.784) 2.571 9.276 ( -0.893 1.621 -1.784) 2.571 9.629 ( 0.522 -4.881 0.576) 4.943 9.629 ( 0.522 4.881 0.576) 4.943 9.680 ( 0.585 -3.188 -2.107) 3.865 9.680 ( 0.585 3.188 -2.107) 3.865 9.846 ( -1.585 -0.425 2.584) 3.061 9.846 ( -1.585 0.425 2.584) 3.061 9.980 ( 0.337 -0.965 -1.414) 1.744 9.980 ( 0.337 0.965 -1.414) 1.744 ======================= Grid point 39 (22/39) ======================= q-point: ( 0.40 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 38 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.581 ( -1.564 -0.651 -2.702) 3.189 0.581 ( -1.564 0.651 -2.702) 3.189 0.622 ( 2.651 -3.270 -0.637) 4.257 0.622 ( 2.651 3.270 -0.637) 4.257 0.687 ( -0.895 -1.166 -0.611) 1.592 0.687 ( -0.895 1.166 -0.611) 1.592 0.794 ( -0.150 -1.067 0.831) 1.361 0.794 ( -0.150 1.067 0.831) 1.361 0.806 ( -0.205 -2.715 0.073) 2.724 0.806 ( -0.205 2.715 0.073) 2.724 0.853 ( -0.132 -0.427 0.618) 0.763 0.853 ( -0.132 0.427 0.618) 0.763 0.883 ( -2.775 -1.484 0.844) 3.258 0.883 ( -2.775 1.484 0.844) 3.258 0.944 ( 1.449 -1.411 3.861) 4.359 0.944 ( 1.449 1.411 3.861) 4.359 0.961 ( -0.481 -2.260 -1.120) 2.568 0.961 ( -0.481 2.260 -1.120) 2.568 1.004 ( 0.304 -0.798 0.301) 0.905 1.004 ( 0.304 0.798 0.301) 0.905 1.033 ( 0.641 -0.636 -0.093) 0.908 1.033 ( 0.641 0.636 -0.093) 0.908 1.092 ( 0.521 -0.079 -0.756) 0.922 1.092 ( 0.521 0.079 -0.756) 0.922 1.120 ( 0.891 -1.253 -0.623) 1.659 1.120 ( 0.891 1.253 -0.623) 1.659 1.155 ( -1.089 -1.511 -0.977) 2.103 1.155 ( -1.089 1.511 -0.977) 2.103 1.168 ( 0.224 -0.396 1.288) 1.366 1.168 ( 0.224 0.396 1.288) 1.366 1.207 ( 0.153 -0.733 1.152) 1.373 1.207 ( 0.153 0.733 1.152) 1.373 1.221 ( -0.755 -1.208 0.801) 1.634 1.221 ( -0.755 1.208 0.801) 1.634 1.257 ( 0.457 -0.540 -1.513) 1.671 1.257 ( 0.457 0.540 -1.513) 1.671 1.268 ( -1.841 -2.361 0.615) 3.056 1.268 ( -1.841 2.361 0.615) 3.056 1.307 ( -0.240 -1.463 0.388) 1.533 1.307 ( -0.240 1.463 0.388) 1.533 1.354 ( 1.688 -0.961 -0.105) 1.945 1.354 ( 1.688 0.961 -0.105) 1.945 1.399 ( -1.148 -0.814 0.168) 1.417 1.399 ( -1.148 0.814 0.168) 1.417 1.423 ( -0.886 -0.332 0.421) 1.035 1.423 ( -0.886 0.332 0.421) 1.035 1.462 ( -0.379 -1.479 2.042) 2.550 1.462 ( -0.379 1.479 2.042) 2.550 1.482 ( -1.331 -0.856 -0.641) 1.707 1.482 ( -1.331 0.856 -0.641) 1.707 1.564 ( -0.265 -1.725 0.391) 1.789 1.564 ( -0.265 1.725 0.391) 1.789 1.644 ( -0.049 -0.300 -1.324) 1.358 1.644 ( -0.049 0.300 -1.324) 1.358 1.677 ( 0.739 -0.638 0.279) 1.016 1.677 ( 0.739 0.638 0.279) 1.016 1.715 ( 1.464 -1.899 -1.520) 2.839 1.715 ( 1.464 1.899 -1.520) 2.839 1.751 ( -0.658 -1.051 3.564) 3.773 1.751 ( -0.658 1.051 3.564) 3.773 1.801 ( -0.326 -0.871 -0.934) 1.318 1.801 ( -0.326 0.871 -0.934) 1.318 1.850 ( 0.216 -2.100 -0.759) 2.244 1.850 ( 0.216 2.100 -0.759) 2.244 1.931 ( 0.991 -0.610 2.072) 2.377 1.931 ( 0.991 0.610 2.072) 2.377 1.972 ( -2.193 -1.313 -0.357) 2.581 1.972 ( -2.193 1.313 -0.357) 2.581 2.067 ( 1.000 -0.603 -0.358) 1.221 2.067 ( 1.000 0.603 -0.358) 1.221 2.140 ( 0.857 -1.016 -0.681) 1.494 2.140 ( 0.857 1.016 -0.681) 1.494 2.255 ( 0.799 -0.751 -0.443) 1.182 2.255 ( 0.799 0.751 -0.443) 1.182 2.299 ( -0.312 -0.234 -0.041) 0.392 2.299 ( -0.312 0.234 -0.041) 0.392 2.413 ( 1.036 -1.368 -0.502) 1.788 2.413 ( 1.036 1.368 -0.502) 1.788 2.463 ( 0.415 -0.722 0.400) 0.924 2.463 ( 0.415 0.722 0.400) 0.924 2.552 ( 0.079 -2.090 -2.154) 3.002 2.552 ( 0.079 2.090 -2.154) 3.002 2.600 ( -0.005 -1.108 -1.908) 2.206 2.600 ( -0.005 1.108 -1.908) 2.206 2.688 ( -0.451 -0.475 1.736) 1.855 2.688 ( -0.451 0.475 1.736) 1.855 2.762 ( -0.784 -3.028 -1.843) 3.630 2.762 ( -0.784 3.028 -1.843) 3.630 2.835 ( -0.406 -1.501 1.342) 2.054 2.835 ( -0.406 1.501 1.342) 2.054 2.928 ( -0.137 -2.904 -0.661) 2.981 2.928 ( -0.137 2.904 -0.661) 2.981 3.238 ( 0.188 -6.197 0.715) 6.241 3.238 ( 0.188 6.197 0.715) 6.241 3.325 ( 0.169 -5.515 0.322) 5.527 3.325 ( 0.169 5.515 0.322) 5.527 3.628 ( -0.424 -1.849 1.162) 2.225 3.628 ( -0.424 1.849 1.162) 2.225 3.701 ( 0.341 -0.751 -0.636) 1.042 3.701 ( 0.341 0.751 -0.636) 1.042 4.161 ( -0.226 -2.473 0.166) 2.489 4.161 ( -0.226 2.473 0.166) 2.489 4.269 ( 0.848 -5.878 -0.896) 6.006 4.269 ( 0.848 5.878 -0.896) 6.006 4.837 ( 1.264 -8.653 -2.319) 9.048 4.837 ( 1.264 8.653 -2.319) 9.048 5.048 ( 1.330 -6.411 -1.307) 6.677 5.048 ( 1.330 6.411 -1.307) 6.677 5.177 ( -1.426 -0.502 2.285) 2.740 5.177 ( -1.426 0.502 2.285) 2.740 5.285 ( -1.682 -2.698 1.444) 3.492 5.285 ( -1.682 2.698 1.444) 3.492 5.394 ( -0.420 -1.991 0.320) 2.059 5.394 ( -0.420 1.991 0.320) 2.059 5.485 ( 0.046 -1.742 0.195) 1.753 5.485 ( 0.046 1.742 0.195) 1.753 5.599 ( -1.333 -0.376 4.071) 4.300 5.599 ( -1.333 0.376 4.071) 4.300 6.036 ( 0.580 -0.903 -0.536) 1.200 6.036 ( 0.580 0.903 -0.536) 1.200 6.058 ( 3.015 -3.050 -4.295) 6.069 6.058 ( 3.015 3.050 -4.295) 6.069 6.149 ( 0.161 -2.639 -0.020) 2.644 6.149 ( 0.161 2.639 -0.020) 2.644 6.240 ( -0.012 -1.465 -1.414) 2.036 6.240 ( -0.012 1.465 -1.414) 2.036 6.326 ( -2.000 -1.197 0.494) 2.382 6.326 ( -2.000 1.197 0.494) 2.382 6.432 ( 0.916 -0.817 -0.210) 1.245 6.432 ( 0.916 0.817 -0.210) 1.245 6.476 ( -0.187 -1.249 -1.828) 2.222 6.476 ( -0.187 1.249 -1.828) 2.222 6.719 ( 1.082 -4.417 1.613) 4.825 6.719 ( 1.082 4.417 1.613) 4.825 6.917 ( 0.927 -0.997 0.079) 1.364 6.917 ( 0.927 0.997 0.079) 1.364 7.032 ( -2.990 -0.926 0.881) 3.252 7.032 ( -2.990 0.926 0.881) 3.252 7.287 ( 0.129 -1.386 0.402) 1.449 7.287 ( 0.129 1.386 0.402) 1.449 7.483 ( 0.330 -1.560 -0.027) 1.595 7.483 ( 0.330 1.560 -0.027) 1.595 7.634 ( -0.341 -1.207 1.246) 1.768 7.634 ( -0.341 1.207 1.246) 1.768 8.463 ( -0.310 -5.496 0.721) 5.552 8.463 ( -0.310 5.496 0.721) 5.552 8.557 ( 0.296 -5.768 0.150) 5.778 8.557 ( 0.296 5.768 0.150) 5.778 8.774 ( 2.259 -0.701 -0.015) 2.365 8.774 ( 2.259 0.701 -0.015) 2.365 8.885 ( -1.112 -1.059 0.219) 1.551 8.885 ( -1.112 1.059 0.219) 1.551 8.925 ( 0.133 -0.520 -0.940) 1.082 8.925 ( 0.133 0.520 -0.940) 1.082 9.022 ( 0.890 -1.065 0.726) 1.567 9.022 ( 0.890 1.065 0.726) 1.567 9.106 ( -2.024 -3.497 -0.776) 4.114 9.106 ( -2.024 3.497 -0.776) 4.114 9.243 ( -0.265 -1.927 -1.574) 2.502 9.243 ( -0.265 1.927 -1.574) 2.502 9.642 ( -0.020 -5.677 0.357) 5.688 9.642 ( -0.020 5.677 0.357) 5.688 9.678 ( 1.331 -3.663 -1.327) 4.117 9.678 ( 1.331 3.663 -1.327) 4.117 9.843 ( -1.648 -1.112 2.651) 3.314 9.843 ( -1.648 1.112 2.651) 3.314 9.975 ( 0.609 -1.375 -1.180) 1.912 9.975 ( 0.609 1.375 -1.180) 1.912 ======================= Grid point 41 (23/39) ======================= q-point: (-0.40 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 38 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.492 ( -3.840 -3.483 -2.167) 5.619 0.492 ( -3.840 3.483 -2.167) 5.619 0.634 ( -3.564 -2.982 0.632) 4.690 0.634 ( -3.564 2.982 0.632) 4.690 0.683 ( 2.325 -1.816 -1.188) 3.180 0.683 ( 2.325 1.816 -1.188) 3.180 0.804 ( 0.347 -2.289 0.578) 2.386 0.804 ( 0.347 2.289 0.578) 2.386 0.808 ( 0.973 -1.231 0.659) 1.702 0.808 ( 0.973 1.231 0.659) 1.702 0.840 ( -1.419 -1.583 1.269) 2.476 0.840 ( -1.419 1.583 1.269) 2.476 0.881 ( 1.922 -0.386 -0.374) 1.996 0.881 ( 1.922 0.386 -0.374) 1.996 0.953 ( -0.148 -1.666 -2.094) 2.680 0.953 ( -0.148 1.666 -2.094) 2.680 0.967 ( -0.538 -1.725 0.110) 1.810 0.967 ( -0.538 1.725 0.110) 1.810 1.029 ( 0.178 -0.876 1.993) 2.185 1.029 ( 0.178 0.876 1.993) 2.185 1.044 ( -0.228 -0.424 1.052) 1.157 1.044 ( -0.228 0.424 1.052) 1.157 1.091 ( 0.453 -0.651 -0.397) 0.887 1.091 ( 0.453 0.651 -0.397) 0.887 1.117 ( -0.744 -0.695 -0.236) 1.045 1.117 ( -0.744 0.695 -0.236) 1.045 1.135 ( 0.965 -0.649 -0.776) 1.398 1.135 ( 0.965 0.649 -0.776) 1.398 1.178 ( -0.873 -0.967 1.460) 1.957 1.178 ( -0.873 0.967 1.460) 1.957 1.202 ( -0.933 -0.876 1.454) 1.937 1.202 ( -0.933 0.876 1.454) 1.937 1.227 ( -0.365 -0.424 -0.953) 1.105 1.227 ( -0.365 0.424 -0.953) 1.105 1.244 ( -0.797 -0.312 -0.030) 0.857 1.244 ( -0.797 0.312 -0.030) 0.857 1.257 ( -0.148 -1.618 0.579) 1.724 1.257 ( -0.148 1.618 0.579) 1.724 1.312 ( 0.475 -0.711 0.296) 0.906 1.312 ( 0.475 0.711 0.296) 0.906 1.336 ( -2.057 -1.768 -1.371) 3.039 1.336 ( -2.057 1.768 -1.371) 3.039 1.386 ( 0.154 -1.056 0.845) 1.361 1.386 ( 0.154 1.056 0.845) 1.361 1.431 ( -0.693 -0.734 -0.101) 1.014 1.431 ( -0.693 0.734 -0.101) 1.014 1.449 ( 1.285 -0.936 0.118) 1.594 1.449 ( 1.285 0.936 0.118) 1.594 1.503 ( 0.941 -0.655 0.707) 1.347 1.503 ( 0.941 0.655 0.707) 1.347 1.550 ( -0.892 -0.836 -0.029) 1.223 1.550 ( -0.892 0.836 -0.029) 1.223 1.627 ( -0.026 -1.083 -1.401) 1.771 1.627 ( -0.026 1.083 -1.401) 1.771 1.674 ( -1.010 -1.083 -0.541) 1.576 1.674 ( -1.010 1.083 -0.541) 1.576 1.718 ( -0.555 -1.732 0.427) 1.868 1.718 ( -0.555 1.732 0.427) 1.868 1.758 ( -2.023 -1.290 1.274) 2.716 1.758 ( -2.023 1.290 1.274) 2.716 1.791 ( 0.771 -1.429 -0.424) 1.678 1.791 ( 0.771 1.429 -0.424) 1.678 1.859 ( 1.142 -2.530 0.262) 2.788 1.859 ( 1.142 2.530 0.262) 2.788 1.958 ( -0.238 -0.532 2.176) 2.253 1.958 ( -0.238 0.532 2.176) 2.253 1.985 ( 1.649 -0.815 0.920) 2.056 1.985 ( 1.649 0.815 0.920) 2.056 2.081 ( 1.264 -1.147 -0.591) 1.806 2.081 ( 1.264 1.147 -0.591) 1.806 2.162 ( 1.704 -0.143 0.098) 1.713 2.162 ( 1.704 0.143 0.098) 1.713 2.254 ( -0.260 -0.400 -0.460) 0.663 2.254 ( -0.260 0.400 -0.460) 0.663 2.292 ( -0.325 -1.212 -0.572) 1.379 2.292 ( -0.325 1.212 -0.572) 1.379 2.407 ( -0.747 -1.782 -0.616) 2.028 2.407 ( -0.747 1.782 -0.616) 2.028 2.447 ( -1.338 -1.909 -0.706) 2.436 2.447 ( -1.338 1.909 -0.706) 2.436 2.556 ( 1.362 -0.674 -1.509) 2.142 2.556 ( 1.362 0.674 -1.509) 2.142 2.587 ( 1.056 -0.915 -1.236) 1.866 2.587 ( 1.056 0.915 -1.236) 1.866 2.679 ( -1.578 -0.442 -0.061) 1.640 2.679 ( -1.578 0.442 -0.061) 1.640 2.738 ( 0.557 -1.956 -0.610) 2.123 2.738 ( 0.557 1.956 -0.610) 2.123 2.856 ( 0.679 -0.549 0.909) 1.260 2.856 ( 0.679 0.549 0.909) 1.260 2.912 ( -0.423 -1.751 -0.762) 1.956 2.912 ( -0.423 1.751 -0.762) 1.956 3.270 ( 1.398 -6.161 1.439) 6.479 3.270 ( 1.398 6.161 1.439) 6.479 3.319 ( -0.740 -6.579 -0.170) 6.623 3.319 ( -0.740 6.579 -0.170) 6.623 3.621 ( -1.440 -1.630 0.936) 2.368 3.621 ( -1.440 1.630 0.936) 2.368 3.711 ( 1.086 -0.575 -0.207) 1.246 3.711 ( 1.086 0.575 -0.207) 1.246 4.164 ( 0.226 -1.697 0.237) 1.728 4.164 ( 0.226 1.697 0.237) 1.728 4.277 ( 0.896 -4.423 -0.841) 4.591 4.277 ( 0.896 4.423 -0.841) 4.591 4.839 ( 1.795 -7.539 -2.564) 8.163 4.839 ( 1.795 7.539 -2.564) 8.163 5.063 ( 1.309 -6.157 -0.681) 6.332 5.063 ( 1.309 6.157 -0.681) 6.332 5.179 ( -1.001 -0.679 2.491) 2.769 5.179 ( -1.001 0.679 2.491) 2.769 5.277 ( -0.261 -2.021 0.690) 2.152 5.277 ( -0.261 2.021 0.690) 2.152 5.387 ( -0.897 -2.502 0.779) 2.770 5.387 ( -0.897 2.502 0.779) 2.770 5.496 ( 0.667 -0.772 0.248) 1.050 5.496 ( 0.667 0.772 0.248) 1.050 5.608 ( -2.586 -0.904 4.309) 5.106 5.608 ( -2.586 0.904 4.309) 5.106 6.029 ( 1.423 -0.995 -2.635) 3.155 6.029 ( 1.423 0.995 -2.635) 3.155 6.070 ( -0.129 -4.172 -1.254) 4.358 6.070 ( -0.129 4.172 -1.254) 4.358 6.158 ( 1.179 -2.555 -0.557) 2.868 6.158 ( 1.179 2.555 -0.557) 2.868 6.227 ( 0.300 -3.547 -1.660) 3.927 6.227 ( 0.300 3.547 -1.660) 3.927 6.298 ( -0.076 -1.502 -0.529) 1.594 6.298 ( -0.076 1.502 -0.529) 1.594 6.419 ( -1.007 -0.832 -2.485) 2.807 6.419 ( -1.007 0.832 -2.485) 2.807 6.460 ( 0.032 -1.451 0.189) 1.464 6.460 ( 0.032 1.451 0.189) 1.464 6.748 ( -0.732 -0.491 1.981) 2.168 6.748 ( -0.732 0.491 1.981) 2.168 6.918 ( -1.204 -0.367 0.320) 1.299 6.918 ( -1.204 0.367 0.320) 1.299 7.015 ( 0.972 -1.562 0.437) 1.890 7.015 ( 0.972 1.562 0.437) 1.890 7.292 ( -0.030 -1.597 0.420) 1.651 7.292 ( -0.030 1.597 0.420) 1.651 7.488 ( 0.026 -1.681 0.153) 1.688 7.488 ( 0.026 1.681 0.153) 1.688 7.634 ( -1.032 -1.791 1.283) 2.433 7.634 ( -1.032 1.791 1.283) 2.433 8.472 ( 0.043 -5.078 1.078) 5.192 8.472 ( 0.043 5.078 1.078) 5.192 8.558 ( -0.391 -4.894 0.202) 4.914 8.558 ( -0.391 4.894 0.202) 4.914 8.806 ( 0.250 -1.131 1.157) 1.637 8.806 ( 0.250 1.131 1.157) 1.637 8.864 ( -0.482 -2.189 -1.110) 2.501 8.864 ( -0.482 2.189 -1.110) 2.501 8.925 ( 1.039 -0.763 -0.998) 1.630 8.925 ( 1.039 0.763 -0.998) 1.630 9.021 ( -2.020 -0.981 0.648) 2.337 9.021 ( -2.020 0.981 0.648) 2.337 9.073 ( 0.313 -2.143 -0.639) 2.258 9.073 ( 0.313 2.143 -0.639) 2.258 9.238 ( 1.637 -0.867 -2.095) 2.797 9.238 ( 1.637 0.867 -2.095) 2.797 9.633 ( -0.844 -5.136 0.041) 5.206 9.633 ( -0.844 5.136 0.041) 5.206 9.698 ( 1.786 -3.961 -1.017) 4.463 9.698 ( 1.786 3.961 -1.017) 4.463 9.841 ( -1.595 -1.345 2.771) 3.468 9.841 ( -1.595 1.345 2.771) 3.468 9.979 ( 1.057 -1.240 -1.052) 1.939 9.979 ( 1.057 1.240 -1.052) 1.939 ======================= Grid point 43 (24/39) ======================= q-point: (-0.20 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 38 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.442 ( -1.229 -4.766 3.232) 5.888 0.442 ( -1.229 4.766 3.232) 5.888 0.579 ( -4.522 -3.792 3.604) 6.915 0.579 ( -4.522 3.792 3.604) 6.915 0.703 ( 2.603 -1.099 -2.599) 3.839 0.703 ( 2.603 1.099 -2.599) 3.839 0.801 ( 0.331 -1.091 -1.421) 1.822 0.801 ( 0.331 1.091 -1.421) 1.822 0.820 ( -0.335 -0.837 0.682) 1.130 0.820 ( -0.335 0.837 0.682) 1.130 0.868 ( -0.331 -1.481 -2.366) 2.811 0.868 ( -0.331 1.481 -2.366) 2.811 0.902 ( 2.284 -3.881 1.354) 4.703 0.902 ( 2.284 3.881 1.354) 4.703 0.920 ( -0.341 -0.620 -0.001) 0.708 0.920 ( -0.341 0.620 -0.001) 0.708 0.978 ( 0.538 -1.645 0.795) 1.905 0.978 ( 0.538 1.645 0.795) 1.905 1.024 ( -1.274 -1.295 0.420) 1.865 1.024 ( -1.274 1.295 0.420) 1.865 1.053 ( 0.117 -0.582 0.197) 0.625 1.053 ( 0.117 0.582 0.197) 0.625 1.073 ( -0.319 -1.903 -1.434) 2.404 1.073 ( -0.319 1.903 -1.434) 2.404 1.123 ( -1.077 -3.817 1.916) 4.404 1.123 ( -1.077 3.817 1.916) 4.404 1.145 ( 0.447 -1.202 -0.361) 1.333 1.145 ( 0.447 1.202 -0.361) 1.333 1.169 ( -1.408 -1.609 1.027) 2.372 1.169 ( -1.408 1.609 1.027) 2.372 1.196 ( -0.462 -0.609 -0.736) 1.061 1.196 ( -0.462 0.609 -0.736) 1.061 1.215 ( -0.882 -2.092 2.786) 3.594 1.215 ( -0.882 2.092 2.786) 3.594 1.231 ( -0.230 -0.763 -0.218) 0.826 1.231 ( -0.230 0.763 -0.218) 0.826 1.265 ( -1.042 -2.049 0.416) 2.336 1.265 ( -1.042 2.049 0.416) 2.336 1.300 ( 1.136 -1.517 0.108) 1.899 1.300 ( 1.136 1.517 0.108) 1.899 1.325 ( 0.515 -0.749 -0.359) 0.977 1.325 ( 0.515 0.749 -0.359) 0.977 1.386 ( -1.182 -1.456 0.912) 2.086 1.386 ( -1.182 1.456 0.912) 2.086 1.445 ( 1.417 -0.944 -0.539) 1.786 1.445 ( 1.417 0.944 -0.539) 1.786 1.474 ( 1.732 -1.540 0.069) 2.319 1.474 ( 1.732 1.540 0.069) 2.319 1.509 ( 0.083 -0.336 -1.275) 1.321 1.509 ( 0.083 0.336 -1.275) 1.321 1.556 ( 0.902 -1.184 1.390) 2.037 1.556 ( 0.902 1.184 1.390) 2.037 1.599 ( -0.964 -0.875 -2.586) 2.895 1.599 ( -0.964 0.875 -2.586) 2.895 1.645 ( -0.945 -0.232 -0.213) 0.997 1.645 ( -0.945 0.232 -0.213) 0.997 1.703 ( -1.930 -2.588 1.590) 3.599 1.703 ( -1.930 2.588 1.590) 3.599 1.747 ( -1.187 -0.636 1.818) 2.262 1.747 ( -1.187 0.636 1.818) 2.262 1.796 ( 0.558 -1.314 -0.694) 1.587 1.796 ( 0.558 1.314 -0.694) 1.587 1.887 ( 1.075 -3.291 0.157) 3.466 1.887 ( 1.075 3.291 0.157) 3.466 1.978 ( -0.158 -0.984 1.376) 1.699 1.978 ( -0.158 0.984 1.376) 1.699 2.001 ( -0.053 -1.540 0.228) 1.558 2.001 ( -0.053 1.540 0.228) 1.558 2.100 ( 1.236 -0.558 -0.818) 1.584 2.100 ( 1.236 0.558 -0.818) 1.584 2.191 ( 1.778 -0.876 -1.200) 2.317 2.191 ( 1.778 0.876 -1.200) 2.317 2.237 ( -1.581 -0.720 -0.156) 1.744 2.237 ( -1.581 0.720 -0.156) 1.744 2.266 ( -0.977 -1.032 -1.141) 1.822 2.266 ( -0.977 1.032 -1.141) 1.822 2.391 ( -0.596 -1.574 0.122) 1.688 2.391 ( -0.596 1.574 0.122) 1.688 2.431 ( -0.118 -1.682 0.569) 1.780 2.431 ( -0.118 1.682 0.569) 1.780 2.553 ( 0.445 -0.247 -1.416) 1.505 2.553 ( 0.445 0.247 -1.416) 1.505 2.601 ( 1.646 -1.177 -1.510) 2.524 2.601 ( 1.646 1.177 -1.510) 2.524 2.666 ( -0.090 -0.724 0.914) 1.170 2.666 ( -0.090 0.724 0.914) 1.170 2.752 ( 0.820 -0.645 0.175) 1.058 2.752 ( 0.820 0.645 0.175) 1.058 2.864 ( -0.245 -0.754 0.032) 0.793 2.864 ( -0.245 0.754 0.032) 0.793 2.910 ( 0.586 -0.148 0.109) 0.614 2.910 ( 0.586 0.148 0.109) 0.614 3.286 ( -0.123 -6.206 -0.601) 6.237 3.286 ( -0.123 6.206 -0.601) 6.237 3.316 ( 0.212 -5.410 0.462) 5.434 3.316 ( 0.212 5.410 0.462) 5.434 3.602 ( -1.455 -1.573 0.973) 2.353 3.602 ( -1.455 1.573 0.973) 2.353 3.726 ( 0.749 -0.573 -0.405) 1.027 3.726 ( 0.749 0.573 -0.405) 1.027 4.170 ( 0.248 -1.362 0.141) 1.391 4.170 ( 0.248 1.362 0.141) 1.391 4.279 ( 0.596 -1.409 -1.406) 2.078 4.279 ( 0.596 1.409 -1.406) 2.078 4.847 ( 2.345 -5.644 -3.390) 6.989 4.847 ( 2.345 5.644 -3.390) 6.989 5.071 ( 0.537 -5.943 -1.466) 6.145 5.071 ( 0.537 5.943 -1.466) 6.145 5.193 ( -0.754 -1.863 2.761) 3.415 5.193 ( -0.754 1.863 2.761) 3.415 5.289 ( 0.725 -2.923 0.697) 3.091 5.289 ( 0.725 2.923 0.697) 3.091 5.382 ( -0.354 -2.116 0.757) 2.275 5.382 ( -0.354 2.116 0.757) 2.275 5.505 ( -0.197 -0.940 0.452) 1.062 5.505 ( -0.197 0.940 0.452) 1.062 5.596 ( -3.296 -0.363 4.056) 5.240 5.596 ( -3.296 0.363 4.056) 5.240 6.005 ( -0.314 -3.003 -5.265) 6.069 6.005 ( -0.314 3.003 -5.265) 6.069 6.057 ( 0.851 -2.948 0.188) 3.074 6.057 ( 0.851 2.948 0.188) 3.074 6.155 ( 0.173 -2.942 -1.000) 3.112 6.155 ( 0.173 2.942 -1.000) 3.112 6.239 ( 1.118 -4.193 -0.254) 4.347 6.239 ( 1.118 4.193 -0.254) 4.347 6.322 ( 2.025 -1.379 0.963) 2.632 6.322 ( 2.025 1.379 0.963) 2.632 6.388 ( 0.379 -1.855 -0.949) 2.118 6.388 ( 0.379 1.855 -0.949) 2.118 6.458 ( -0.791 -0.345 -0.005) 0.863 6.458 ( -0.791 0.345 -0.005) 0.863 6.728 ( -2.112 -4.731 0.348) 5.193 6.728 ( -2.112 4.731 0.348) 5.193 6.890 ( -2.003 -1.257 0.495) 2.416 6.890 ( -2.003 1.257 0.495) 2.416 7.067 ( 2.711 -3.063 1.692) 4.427 7.067 ( 2.711 3.063 1.692) 4.427 7.291 ( -0.492 -2.141 -0.046) 2.197 7.291 ( -0.492 2.141 -0.046) 2.197 7.484 ( -0.369 -1.602 -0.161) 1.651 7.484 ( -0.369 1.602 -0.161) 1.651 7.626 ( -1.165 -2.745 1.286) 3.247 7.626 ( -1.165 2.745 1.286) 3.247 8.479 ( -0.217 -3.874 0.446) 3.906 8.479 ( -0.217 3.874 0.446) 3.906 8.549 ( -0.832 -4.227 0.337) 4.321 8.549 ( -0.832 4.227 0.337) 4.321 8.805 ( -1.698 -2.681 0.436) 3.203 8.805 ( -1.698 2.681 0.436) 3.203 8.847 ( 0.802 -2.016 -1.572) 2.680 8.847 ( 0.802 2.016 -1.572) 2.680 8.934 ( 0.915 -1.376 -1.251) 2.073 8.934 ( 0.915 1.376 -1.251) 2.073 9.000 ( -1.104 -1.757 1.614) 2.629 9.000 ( -1.104 1.757 1.614) 2.629 9.088 ( 0.467 -1.103 1.337) 1.795 9.088 ( 0.467 1.103 1.337) 1.795 9.257 ( 2.955 -0.868 -2.185) 3.776 9.257 ( 2.955 0.868 -2.185) 3.776 9.620 ( -0.612 -4.841 0.196) 4.884 9.620 ( -0.612 4.841 0.196) 4.884 9.710 ( 0.957 -4.324 -1.787) 4.775 9.710 ( 0.957 4.324 -1.787) 4.775 9.844 ( -1.371 -1.233 2.781) 3.336 9.844 ( -1.371 1.233 2.781) 3.336 9.988 ( 1.063 -0.751 -1.191) 1.764 9.988 ( 1.063 0.751 -1.191) 1.764 ======================= Grid point 50 (25/39) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.347 ( -4.175 0.000 7.896) 8.932 0.400 ( 3.422 0.000 6.452) 7.303 0.542 ( 2.172 0.000 -4.789) 5.259 0.599 ( -0.679 0.000 -6.592) 6.627 0.682 ( 2.244 0.000 0.340) 2.269 0.715 ( -1.263 0.000 -1.991) 2.358 0.757 ( 1.469 0.000 -0.165) 1.479 0.770 ( -2.118 0.000 -1.774) 2.763 0.830 ( -0.809 0.000 1.988) 2.147 0.866 ( 0.315 0.000 -0.299) 0.435 0.878 ( -1.359 0.000 0.559) 1.469 0.885 ( 1.040 0.000 0.852) 1.344 0.916 ( 1.269 0.000 -0.552) 1.384 0.930 ( -0.417 0.000 2.953) 2.982 0.936 ( -1.262 0.000 0.087) 1.265 0.975 ( -1.793 0.000 0.282) 1.815 0.978 ( 0.354 0.000 1.787) 1.821 0.988 ( 0.898 0.000 -1.284) 1.567 1.032 ( 1.412 0.000 2.170) 2.589 1.040 ( -1.494 0.000 4.635) 4.870 1.052 ( -0.836 0.000 -0.111) 0.843 1.066 ( 0.491 0.000 0.221) 0.538 1.084 ( 1.313 0.000 1.245) 1.810 1.093 ( 0.951 0.000 0.929) 1.330 1.108 ( 1.084 0.000 2.279) 2.523 1.126 ( -0.285 0.000 1.291) 1.322 1.137 ( 0.130 0.000 0.851) 0.861 1.148 ( 3.056 0.000 1.770) 3.532 1.167 ( -4.496 0.000 -1.697) 4.805 1.167 ( -1.524 0.000 0.185) 1.536 1.198 ( -0.982 0.000 -1.662) 1.931 1.204 ( -1.145 0.000 1.052) 1.555 1.225 ( 2.577 0.000 -0.625) 2.652 1.233 ( 0.261 0.000 -1.830) 1.848 1.238 ( -0.081 0.000 0.581) 0.586 1.243 ( -0.147 0.000 -0.219) 0.264 1.250 ( -0.204 0.000 0.828) 0.853 1.291 ( 0.026 0.000 0.341) 0.342 1.312 ( 0.492 0.000 -0.588) 0.766 1.315 ( -0.181 0.000 0.795) 0.815 1.329 ( -1.066 0.000 0.316) 1.112 1.344 ( 0.003 0.000 2.965) 2.965 1.397 ( -0.005 0.000 -1.667) 1.667 1.418 ( -1.912 0.000 -0.284) 1.932 1.425 ( 2.433 0.000 -0.793) 2.559 1.440 ( -0.756 0.000 -3.010) 3.103 1.456 ( 1.247 0.000 -1.701) 2.109 1.482 ( 0.480 0.000 -1.331) 1.415 1.491 ( 2.436 0.000 2.197) 3.280 1.524 ( -2.122 0.000 -0.731) 2.245 1.557 ( 0.413 0.000 0.340) 0.535 1.574 ( -1.504 0.000 -2.521) 2.936 1.596 ( -1.563 0.000 2.051) 2.579 1.631 ( 0.262 0.000 -0.487) 0.553 1.642 ( 0.807 0.000 1.295) 1.526 1.664 ( -0.023 0.000 -1.221) 1.221 1.684 ( 0.277 0.000 0.817) 0.863 1.705 ( 0.196 0.000 -0.589) 0.621 1.733 ( -0.429 0.000 1.228) 1.301 1.753 ( -0.765 0.000 -0.623) 0.987 1.818 ( -1.794 0.000 3.315) 3.769 1.839 ( 2.239 0.000 1.002) 2.453 1.853 ( -2.374 0.000 1.176) 2.649 1.889 ( 0.791 0.000 -2.029) 2.177 2.003 ( -1.204 0.000 0.988) 1.557 2.005 ( -0.349 0.000 -0.273) 0.443 2.029 ( -1.835 0.000 1.161) 2.171 2.057 ( 1.855 0.000 -1.910) 2.662 2.084 ( -0.125 0.000 -1.071) 1.079 2.105 ( -0.210 0.000 -2.503) 2.512 2.141 ( 1.116 0.000 0.040) 1.117 2.148 ( 1.032 0.000 -0.258) 1.064 2.173 ( 0.291 0.000 0.207) 0.357 2.210 ( -1.049 0.000 -2.058) 2.310 2.289 ( 1.519 0.000 0.578) 1.625 2.292 ( -1.083 0.000 0.424) 1.163 2.374 ( 1.355 0.000 0.190) 1.368 2.385 ( -1.219 0.000 -0.694) 1.403 2.437 ( 0.464 0.000 -0.231) 0.518 2.441 ( -0.021 0.000 -0.088) 0.091 2.509 ( -1.032 0.000 1.072) 1.488 2.547 ( 1.474 0.000 -2.687) 3.065 2.600 ( 0.832 0.000 0.437) 0.940 2.612 ( 0.670 0.000 -0.808) 1.049 2.638 ( -0.529 0.000 1.355) 1.455 2.676 ( -0.776 0.000 -2.272) 2.401 2.767 ( -1.535 0.000 1.042) 1.855 2.777 ( 0.913 0.000 -0.268) 0.952 2.834 ( 0.380 0.000 1.220) 1.278 2.869 ( 0.221 0.000 -1.929) 1.942 3.004 ( -0.611 0.000 1.432) 1.556 3.020 ( 1.178 0.000 1.022) 1.559 3.075 ( -1.989 0.000 0.052) 1.989 3.088 ( 2.271 0.000 0.578) 2.344 3.425 ( 1.579 0.000 -0.461) 1.645 3.434 ( -1.329 0.000 -0.676) 1.491 3.614 ( -1.177 0.000 1.559) 1.953 3.656 ( 0.450 0.000 -2.399) 2.441 3.723 ( -0.060 0.000 1.425) 1.426 3.747 ( -0.353 0.000 -0.852) 0.922 4.077 ( -0.284 0.000 -0.015) 0.285 4.081 ( 0.050 0.000 -0.440) 0.443 4.255 ( -2.649 0.000 1.697) 3.146 4.289 ( 4.740 0.000 -1.664) 5.023 4.561 ( -1.696 0.000 3.680) 4.052 4.647 ( 3.459 0.000 -5.130) 6.188 5.136 ( -0.472 0.000 1.445) 1.520 5.144 ( 0.561 0.000 0.796) 0.974 5.239 ( 0.102 0.000 -1.404) 1.408 5.243 ( -0.977 0.000 -2.066) 2.286 5.388 ( -2.155 0.000 0.066) 2.156 5.399 ( 1.170 0.000 -0.710) 1.369 5.450 ( -1.169 0.000 1.600) 1.982 5.464 ( -0.184 0.000 -0.188) 0.263 5.530 ( -3.221 0.000 2.889) 4.327 5.543 ( 0.696 0.000 0.999) 1.218 5.629 ( -0.024 0.000 1.278) 1.279 5.647 ( 1.960 0.000 -1.402) 2.410 5.832 ( -0.312 0.000 4.889) 4.899 5.932 ( 0.962 0.000 -4.039) 4.152 6.009 ( 1.293 0.000 -1.853) 2.260 6.014 ( 1.322 0.000 -1.109) 1.726 6.082 ( 0.474 0.000 -1.094) 1.192 6.089 ( -0.053 0.000 -1.809) 1.810 6.282 ( -2.134 0.000 -0.095) 2.136 6.285 ( 1.701 0.000 -0.151) 1.708 6.354 ( -1.250 0.000 2.010) 2.367 6.367 ( 1.076 0.000 0.881) 1.390 6.396 ( 0.755 0.000 1.968) 2.108 6.398 ( 1.291 0.000 0.058) 1.292 6.439 ( 0.335 0.000 0.616) 0.701 6.487 ( -0.197 0.000 -2.712) 2.719 6.696 ( 4.300 0.000 2.655) 5.053 6.744 ( -4.838 0.000 -2.671) 5.527 6.895 ( -1.179 0.000 1.005) 1.549 6.927 ( -0.149 0.000 -2.128) 2.133 7.111 ( 0.927 0.000 3.248) 3.378 7.158 ( -0.859 0.000 -1.630) 1.842 7.268 ( -0.863 0.000 3.377) 3.486 7.335 ( 1.056 0.000 -3.443) 3.601 7.410 ( 0.759 0.000 0.113) 0.767 7.411 ( -1.592 0.000 0.018) 1.592 7.645 ( -0.396 0.000 2.357) 2.390 7.679 ( -0.534 0.000 -1.116) 1.237 8.347 ( -1.276 0.000 1.067) 1.663 8.370 ( 1.202 0.000 -1.218) 1.712 8.656 ( -0.477 0.000 1.787) 1.849 8.693 ( -0.566 0.000 -1.537) 1.638 8.714 ( 1.173 0.000 0.149) 1.182 8.739 ( -1.352 0.000 -2.167) 2.554 8.877 ( 1.963 0.000 0.235) 1.977 8.879 ( -1.702 0.000 0.112) 1.706 8.949 ( -2.870 0.000 1.218) 3.118 8.951 ( 0.147 0.000 -0.075) 0.165 8.972 ( 0.855 0.000 0.871) 1.221 9.019 ( 1.941 0.000 -2.351) 3.048 9.088 ( -0.332 0.000 2.502) 2.524 9.118 ( 0.582 0.000 -0.334) 0.671 9.255 ( 0.978 0.000 -0.122) 0.985 9.272 ( 0.990 0.000 -1.790) 2.046 9.533 ( -1.429 0.000 2.340) 2.742 9.575 ( 1.164 0.000 -1.925) 2.249 9.767 ( 1.399 0.000 0.463) 1.474 9.776 ( -2.090 0.000 -0.525) 2.155 9.893 ( -0.841 0.000 0.709) 1.100 9.898 ( -0.703 0.000 1.116) 1.318 9.930 ( 1.588 0.000 -0.724) 1.746 9.941 ( 0.012 0.000 -1.085) 1.085 ======================= Grid point 51 (26/39) ======================= q-point: ( 0.20 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.418 ( 5.124 0.000 1.505) 5.341 0.534 ( 7.525 0.000 -4.702) 8.873 0.563 ( 3.369 0.000 -3.507) 4.863 0.584 ( 3.365 0.000 4.148) 5.341 0.656 ( -2.497 0.000 -3.505) 4.304 0.728 ( 1.423 0.000 1.877) 2.355 0.742 ( 0.062 0.000 0.026) 0.067 0.787 ( 0.657 0.000 0.679) 0.945 0.818 ( -2.653 0.000 1.818) 3.216 0.838 ( -2.059 0.000 -0.794) 2.207 0.861 ( -0.679 0.000 -0.536) 0.865 0.902 ( 0.275 0.000 -0.069) 0.284 0.907 ( 0.629 0.000 -0.539) 0.828 0.919 ( -0.592 0.000 0.872) 1.054 0.952 ( -0.625 0.000 2.464) 2.542 0.979 ( -0.808 0.000 -1.007) 1.291 0.995 ( 1.136 0.000 -0.020) 1.136 1.013 ( -0.507 0.000 -2.591) 2.640 1.020 ( -0.745 0.000 -0.042) 0.746 1.036 ( 1.196 0.000 1.565) 1.969 1.071 ( -0.654 0.000 0.190) 0.681 1.074 ( -1.025 0.000 -1.849) 2.114 1.078 ( 0.115 0.000 -0.275) 0.298 1.084 ( -0.988 0.000 -0.850) 1.304 1.098 ( 1.110 0.000 0.444) 1.195 1.128 ( -1.704 0.000 -3.578) 3.963 1.135 ( 0.666 0.000 0.580) 0.883 1.138 ( -1.409 0.000 2.760) 3.099 1.165 ( -0.178 0.000 1.897) 1.905 1.190 ( -1.411 0.000 3.937) 4.182 1.196 ( -0.168 0.000 1.179) 1.191 1.207 ( 1.068 0.000 0.783) 1.324 1.223 ( 0.807 0.000 -2.673) 2.792 1.228 ( -0.556 0.000 -0.256) 0.612 1.244 ( 1.354 0.000 1.614) 2.107 1.260 ( 1.656 0.000 -1.467) 2.213 1.265 ( -0.779 0.000 0.633) 1.004 1.284 ( 0.732 0.000 -2.195) 2.314 1.308 ( -1.568 0.000 -0.086) 1.570 1.321 ( 1.039 0.000 0.039) 1.039 1.358 ( -0.015 0.000 0.959) 0.959 1.373 ( -0.168 0.000 2.001) 2.008 1.378 ( 0.705 0.000 -2.606) 2.700 1.402 ( 0.350 0.000 3.092) 3.112 1.413 ( 1.969 0.000 -1.639) 2.562 1.431 ( -2.740 0.000 -1.503) 3.125 1.453 ( -0.677 0.000 -0.227) 0.714 1.455 ( 0.731 0.000 -0.912) 1.168 1.480 ( 0.041 0.000 -1.647) 1.648 1.537 ( -0.969 0.000 1.302) 1.623 1.548 ( 1.004 0.000 -0.126) 1.011 1.561 ( -1.456 0.000 4.437) 4.670 1.610 ( 0.211 0.000 1.146) 1.165 1.632 ( 0.581 0.000 -0.349) 0.678 1.644 ( -0.061 0.000 -2.611) 2.612 1.668 ( 0.686 0.000 0.466) 0.829 1.689 ( -0.277 0.000 -1.380) 1.408 1.700 ( 0.513 0.000 0.891) 1.028 1.741 ( -1.439 0.000 2.249) 2.670 1.742 ( -0.335 0.000 -0.157) 0.370 1.797 ( -1.565 0.000 1.081) 1.902 1.847 ( -1.892 0.000 2.702) 3.298 1.862 ( 0.371 0.000 -2.018) 2.052 1.901 ( 1.986 0.000 -0.200) 1.996 1.967 ( -2.549 0.000 1.025) 2.747 1.979 ( -2.528 0.000 0.126) 2.531 2.010 ( -1.288 0.000 0.916) 1.580 2.079 ( -0.985 0.000 0.105) 0.991 2.081 ( 0.589 0.000 2.358) 2.430 2.089 ( 2.105 0.000 0.118) 2.108 2.114 ( -1.626 0.000 -1.195) 2.018 2.138 ( -1.103 0.000 -2.357) 2.602 2.202 ( 2.228 0.000 -1.035) 2.457 2.233 ( 2.949 0.000 1.560) 3.336 2.280 ( 0.156 0.000 -1.400) 1.409 2.315 ( 0.291 0.000 0.329) 0.439 2.370 ( 0.747 0.000 -0.963) 1.219 2.415 ( 2.534 0.000 0.628) 2.610 2.435 ( 0.197 0.000 -0.458) 0.499 2.444 ( 0.090 0.000 -0.713) 0.718 2.505 ( -1.121 0.000 1.349) 1.754 2.553 ( 2.078 0.000 -1.862) 2.790 2.600 ( -0.679 0.000 -0.270) 0.731 2.602 ( 0.262 0.000 -1.737) 1.756 2.657 ( -0.572 0.000 2.257) 2.329 2.660 ( 0.612 0.000 -0.644) 0.889 2.746 ( -2.031 0.000 1.076) 2.298 2.792 ( 1.023 0.000 0.356) 1.083 2.842 ( -0.806 0.000 -2.378) 2.510 2.849 ( 0.058 0.000 1.095) 1.097 2.995 ( -1.624 0.000 0.759) 1.793 3.014 ( -0.802 0.000 -1.028) 1.304 3.055 ( -1.268 0.000 0.219) 1.287 3.111 ( 1.017 0.000 -1.643) 1.932 3.401 ( -0.869 0.000 -0.060) 0.871 3.455 ( 1.314 0.000 -0.004) 1.314 3.625 ( -0.329 0.000 2.507) 2.528 3.650 ( 1.142 0.000 -1.249) 1.692 3.728 ( -1.090 0.000 1.179) 1.606 3.728 ( -0.588 0.000 -0.589) 0.832 4.071 ( -0.588 0.000 0.348) 0.683 4.079 ( 0.053 0.000 0.175) 0.182 4.229 ( -1.256 0.000 0.760) 1.468 4.345 ( 4.238 0.000 -3.703) 5.628 4.557 ( -2.311 0.000 2.660) 3.524 4.642 ( 2.404 0.000 -5.900) 6.371 5.134 ( -0.476 0.000 0.303) 0.564 5.156 ( 0.210 0.000 -0.725) 0.755 5.222 ( -0.157 0.000 1.435) 1.443 5.246 ( 0.615 0.000 0.548) 0.824 5.361 ( -1.338 0.000 1.591) 2.079 5.415 ( 0.545 0.000 0.601) 0.812 5.442 ( -1.358 0.000 1.740) 2.207 5.456 ( -0.713 0.000 0.699) 0.999 5.499 ( -3.409 0.000 2.864) 4.452 5.557 ( 0.227 0.000 -0.239) 0.330 5.636 ( -0.150 0.000 0.412) 0.439 5.659 ( 1.161 0.000 -1.545) 1.932 5.867 ( -0.611 0.000 3.144) 3.202 5.907 ( 1.707 0.000 -5.123) 5.400 6.007 ( 0.419 0.000 -1.402) 1.464 6.018 ( 0.894 0.000 -2.484) 2.640 6.088 ( 1.386 0.000 -0.424) 1.449 6.102 ( 2.081 0.000 -0.150) 2.087 6.260 ( -0.857 0.000 0.224) 0.886 6.312 ( 0.262 0.000 0.089) 0.276 6.318 ( -3.154 0.000 0.637) 3.218 6.385 ( 0.789 0.000 -1.449) 1.650 6.412 ( 0.589 0.000 -0.812) 1.003 6.419 ( 1.665 0.000 -1.386) 2.166 6.450 ( -0.047 0.000 -1.926) 1.926 6.477 ( 1.519 0.000 1.540) 2.163 6.632 ( -4.105 0.000 -1.007) 4.227 6.793 ( 3.398 0.000 2.141) 4.016 6.919 ( 1.076 0.000 2.270) 2.512 6.930 ( 1.162 0.000 -0.278) 1.195 7.072 ( -5.099 0.000 -2.098) 5.514 7.111 ( -3.163 0.000 1.810) 3.644 7.287 ( -1.057 0.000 3.301) 3.466 7.319 ( 1.170 0.000 -3.248) 3.452 7.403 ( 0.008 0.000 0.982) 0.982 7.439 ( 1.771 0.000 -0.217) 1.784 7.669 ( 0.526 0.000 -0.818) 0.972 7.671 ( 0.002 0.000 2.554) 2.554 8.335 ( -1.214 0.000 1.282) 1.765 8.379 ( 1.150 0.000 -1.108) 1.597 8.684 ( 0.345 0.000 2.082) 2.110 8.686 ( 1.271 0.000 -1.239) 1.775 8.722 ( 1.846 0.000 -0.816) 2.019 8.745 ( 0.766 0.000 1.779) 1.937 8.858 ( -0.730 0.000 -0.142) 0.744 8.915 ( -2.462 0.000 1.636) 2.956 8.934 ( 3.813 0.000 -0.201) 3.818 8.948 ( -0.592 0.000 0.118) 0.603 8.998 ( 1.579 0.000 0.849) 1.793 9.033 ( 2.484 0.000 -2.765) 3.717 9.088 ( -1.930 0.000 1.467) 2.424 9.100 ( -1.112 0.000 -2.013) 2.300 9.234 ( -2.111 0.000 -0.692) 2.222 9.241 ( -2.082 0.000 -2.403) 3.179 9.532 ( -1.218 0.000 2.165) 2.484 9.575 ( 0.969 0.000 -1.701) 1.957 9.747 ( -0.790 0.000 0.055) 0.792 9.800 ( 0.940 0.000 0.970) 1.350 9.889 ( -0.418 0.000 0.896) 0.989 9.898 ( -0.794 0.000 1.397) 1.607 9.920 ( -0.770 0.000 -1.425) 1.620 9.940 ( 0.616 0.000 -1.052) 1.219 ======================= Grid point 52 (27/39) ======================= q-point: ( 0.40 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.501 ( 1.333 0.000 -2.877) 3.171 0.551 ( 1.591 0.000 -6.226) 6.426 0.586 ( 1.413 0.000 -0.016) 1.414 0.644 ( 4.840 0.000 1.651) 5.114 0.679 ( -0.437 0.000 1.848) 1.899 0.745 ( -3.275 0.000 2.626) 4.198 0.758 ( 0.936 0.000 1.427) 1.707 0.777 ( -0.704 0.000 -1.278) 1.459 0.805 ( 1.114 0.000 1.925) 2.224 0.812 ( 0.754 0.000 0.378) 0.844 0.849 ( 0.197 0.000 -0.229) 0.302 0.889 ( -1.134 0.000 -1.140) 1.608 0.912 ( -1.602 0.000 -0.900) 1.838 0.930 ( 1.318 0.000 1.115) 1.726 0.954 ( -1.028 0.000 -0.046) 1.029 0.970 ( 0.501 0.000 -1.253) 1.349 0.977 ( -1.704 0.000 -0.435) 1.759 0.978 ( 1.132 0.000 -0.193) 1.149 1.012 ( -1.907 0.000 -1.972) 2.743 1.024 ( 0.786 0.000 -0.496) 0.929 1.045 ( -2.450 0.000 0.114) 2.453 1.049 ( -1.341 0.000 -1.689) 2.157 1.068 ( 1.829 0.000 -2.271) 2.916 1.090 ( -0.290 0.000 -0.667) 0.727 1.094 ( 0.394 0.000 0.236) 0.459 1.098 ( -1.543 0.000 -1.869) 2.424 1.146 ( -0.217 0.000 2.895) 2.903 1.169 ( 0.382 0.000 0.583) 0.697 1.187 ( -0.309 0.000 3.056) 3.071 1.190 ( -0.328 0.000 1.595) 1.628 1.196 ( 0.284 0.000 0.064) 0.291 1.207 ( -0.396 0.000 -0.086) 0.405 1.220 ( 1.848 0.000 -2.664) 3.242 1.242 ( -2.505 0.000 0.949) 2.679 1.258 ( 3.227 0.000 -0.219) 3.235 1.270 ( -1.051 0.000 0.805) 1.324 1.272 ( -0.496 0.000 1.742) 1.811 1.284 ( -0.474 0.000 -0.666) 0.818 1.284 ( -0.157 0.000 1.519) 1.527 1.324 ( -0.658 0.000 0.131) 0.671 1.346 ( 0.362 0.000 -0.731) 0.816 1.358 ( -1.203 0.000 -2.514) 2.787 1.367 ( -0.369 0.000 -0.623) 0.724 1.385 ( -1.103 0.000 -0.067) 1.105 1.428 ( 2.647 0.000 -0.134) 2.650 1.442 ( 0.565 0.000 1.729) 1.819 1.470 ( 3.646 0.000 -0.839) 3.742 1.482 ( 1.385 0.000 0.772) 1.585 1.484 ( -0.696 0.000 0.749) 1.023 1.519 ( -1.500 0.000 0.136) 1.507 1.549 ( 0.002 0.000 -1.392) 1.392 1.579 ( -3.571 0.000 0.017) 3.571 1.595 ( -0.986 0.000 3.718) 3.847 1.608 ( 0.209 0.000 -2.886) 2.894 1.646 ( -1.883 0.000 -1.533) 2.428 1.653 ( 1.440 0.000 -0.382) 1.490 1.699 ( -0.105 0.000 0.540) 0.550 1.711 ( -0.080 0.000 -0.275) 0.287 1.745 ( 0.352 0.000 1.307) 1.354 1.768 ( 1.635 0.000 4.362) 4.658 1.786 ( -0.773 0.000 -0.316) 0.835 1.826 ( -1.984 0.000 2.568) 3.245 1.837 ( 0.123 0.000 -2.625) 2.627 1.911 ( -0.981 0.000 -0.617) 1.159 1.954 ( -0.852 0.000 1.490) 1.716 1.956 ( 0.004 0.000 0.626) 0.626 2.022 ( 1.074 0.000 1.072) 1.517 2.033 ( -2.636 0.000 0.786) 2.751 2.103 ( -0.500 0.000 -1.051) 1.164 2.120 ( 1.486 0.000 -0.527) 1.577 2.129 ( 0.365 0.000 3.406) 3.425 2.133 ( 2.256 0.000 1.146) 2.530 2.232 ( 1.733 0.000 -0.374) 1.773 2.256 ( -0.689 0.000 -0.737) 1.009 2.289 ( 1.392 0.000 -0.829) 1.620 2.301 ( -0.968 0.000 -0.695) 1.192 2.384 ( 0.998 0.000 -0.216) 1.021 2.418 ( -0.290 0.000 -1.352) 1.383 2.438 ( 1.324 0.000 -1.281) 1.842 2.482 ( 1.820 0.000 1.340) 2.260 2.507 ( 1.013 0.000 0.045) 1.014 2.566 ( 0.604 0.000 -2.041) 2.128 2.569 ( -1.438 0.000 -0.729) 1.612 2.607 ( 1.315 0.000 -0.901) 1.594 2.659 ( -1.956 0.000 3.096) 3.662 2.672 ( 1.527 0.000 -0.414) 1.582 2.718 ( -2.429 0.000 1.678) 2.952 2.794 ( -1.029 0.000 -3.307) 3.463 2.832 ( 2.091 0.000 2.089) 2.956 2.863 ( -0.035 0.000 1.844) 1.844 2.966 ( -1.342 0.000 -0.839) 1.583 3.000 ( -1.827 0.000 -3.177) 3.664 3.020 ( 1.279 0.000 0.326) 1.320 3.088 ( -1.480 0.000 -2.039) 2.520 3.416 ( 0.711 0.000 1.941) 2.067 3.466 ( 0.666 0.000 -1.068) 1.259 3.642 ( -0.680 0.000 2.270) 2.370 3.664 ( 1.157 0.000 -0.505) 1.262 3.715 ( -1.099 0.000 0.773) 1.344 3.719 ( 0.122 0.000 -0.278) 0.304 4.067 ( -0.257 0.000 0.700) 0.746 4.084 ( 0.072 0.000 0.060) 0.094 4.236 ( 0.204 0.000 2.425) 2.433 4.361 ( 2.453 0.000 -5.170) 5.722 4.540 ( -2.188 0.000 2.219) 3.117 4.619 ( 2.168 0.000 -5.978) 6.359 5.132 ( -0.341 0.000 0.486) 0.594 5.145 ( -0.263 0.000 -0.639) 0.691 5.251 ( 0.479 0.000 2.044) 2.099 5.259 ( 0.474 0.000 0.412) 0.628 5.385 ( 0.869 0.000 3.389) 3.498 5.427 ( -0.498 0.000 1.371) 1.459 5.443 ( -2.425 0.000 4.652) 5.246 5.454 ( -0.234 0.000 0.384) 0.450 5.474 ( -0.149 0.000 -0.300) 0.335 5.543 ( -0.807 0.000 -1.720) 1.900 5.635 ( -0.961 0.000 1.324) 1.636 5.664 ( 0.816 0.000 -0.714) 1.084 5.871 ( -1.785 0.000 1.215) 2.159 5.899 ( 3.605 0.000 -5.096) 6.242 5.998 ( -0.055 0.000 -0.906) 0.908 6.004 ( 0.399 0.000 -1.821) 1.864 6.101 ( 0.118 0.000 -1.364) 1.369 6.128 ( 0.818 0.000 -1.784) 1.963 6.248 ( 0.334 0.000 0.460) 0.568 6.275 ( -1.559 0.000 -0.282) 1.585 6.298 ( -0.870 0.000 2.747) 2.881 6.389 ( 0.802 0.000 -2.531) 2.655 6.392 ( -1.096 0.000 -1.824) 2.128 6.398 ( -1.595 0.000 -2.560) 3.016 6.466 ( 1.528 0.000 0.942) 1.795 6.511 ( 1.268 0.000 -0.504) 1.364 6.635 ( 4.184 0.000 2.622) 4.937 6.853 ( -8.094 0.000 -2.397) 8.442 6.871 ( 3.486 0.000 1.542) 3.812 6.947 ( -0.487 0.000 0.669) 0.828 7.036 ( 1.819 0.000 0.439) 1.871 7.064 ( -2.862 0.000 0.982) 3.025 7.292 ( -1.933 0.000 2.634) 3.267 7.318 ( 2.078 0.000 -2.411) 3.182 7.414 ( -0.537 0.000 1.639) 1.725 7.455 ( 0.935 0.000 -1.350) 1.642 7.681 ( 1.239 0.000 -0.112) 1.244 7.682 ( -1.567 0.000 2.124) 2.640 8.334 ( -0.657 0.000 1.938) 2.046 8.384 ( 0.831 0.000 -1.576) 1.782 8.703 ( 1.173 0.000 -0.399) 1.239 8.703 ( 0.444 0.000 0.969) 1.066 8.770 ( 0.090 0.000 1.530) 1.532 8.771 ( 2.400 0.000 0.061) 2.401 8.860 ( 1.111 0.000 1.042) 1.523 8.893 ( -1.903 0.000 1.816) 2.631 8.934 ( -0.829 0.000 0.226) 0.859 8.970 ( 0.436 0.000 -1.086) 1.170 9.049 ( -1.391 0.000 -1.719) 2.211 9.050 ( 1.905 0.000 -1.421) 2.376 9.055 ( -2.521 0.000 0.394) 2.552 9.072 ( 4.752 0.000 0.773) 4.814 9.158 ( -2.587 0.000 -3.892) 4.674 9.179 ( -2.965 0.000 -0.962) 3.117 9.534 ( -1.026 0.000 2.060) 2.301 9.576 ( 1.048 0.000 -1.752) 2.042 9.750 ( 0.734 0.000 0.746) 1.046 9.801 ( -1.534 0.000 0.023) 1.535 9.895 ( -1.271 0.000 1.572) 2.021 9.898 ( -0.328 0.000 0.523) 0.617 9.903 ( 1.138 0.000 -0.455) 1.226 9.935 ( 0.407 0.000 -1.595) 1.646 ======================= Grid point 53 (28/39) ======================= q-point: (-0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.435 ( -6.094 0.000 4.892) 7.814 0.469 ( -7.916 0.000 0.947) 7.973 0.609 ( -0.877 0.000 -3.169) 3.288 0.687 ( 3.997 0.000 1.887) 4.420 0.716 ( -1.242 0.000 -4.111) 4.294 0.740 ( 4.222 0.000 0.337) 4.235 0.776 ( -0.964 0.000 1.387) 1.689 0.799 ( 0.987 0.000 1.732) 1.993 0.818 ( 1.214 0.000 -1.814) 2.183 0.825 ( -0.519 0.000 -2.509) 2.562 0.863 ( 1.597 0.000 1.828) 2.427 0.864 ( -0.308 0.000 -1.588) 1.617 0.899 ( 1.004 0.000 3.073) 3.233 0.908 ( -2.242 0.000 -1.822) 2.889 0.952 ( -4.237 0.000 2.877) 5.122 0.963 ( -1.475 0.000 -1.374) 2.016 0.970 ( -0.093 0.000 1.417) 1.420 0.984 ( 0.404 0.000 -0.527) 0.664 0.984 ( 0.124 0.000 -0.411) 0.429 1.015 ( 1.930 0.000 1.788) 2.631 1.022 ( -3.094 0.000 1.728) 3.544 1.037 ( 1.067 0.000 -0.379) 1.132 1.038 ( -0.368 0.000 -2.242) 2.272 1.069 ( 1.342 0.000 -1.042) 1.699 1.071 ( -1.098 0.000 1.412) 1.789 1.128 ( 2.239 0.000 -0.479) 2.290 1.147 ( -4.318 0.000 1.879) 4.709 1.167 ( -1.223 0.000 2.280) 2.587 1.174 ( -0.103 0.000 0.656) 0.664 1.182 ( -0.484 0.000 -0.754) 0.896 1.197 ( 0.032 0.000 -0.178) 0.180 1.213 ( -0.156 0.000 -0.453) 0.480 1.239 ( -0.775 0.000 0.292) 0.828 1.240 ( -0.549 0.000 1.118) 1.246 1.252 ( -1.608 0.000 0.667) 1.741 1.259 ( -0.767 0.000 1.538) 1.719 1.279 ( 0.399 0.000 3.024) 3.050 1.297 ( -0.423 0.000 -3.798) 3.821 1.310 ( 0.618 0.000 -0.606) 0.865 1.323 ( 2.930 0.000 -0.382) 2.954 1.344 ( -0.666 0.000 -0.678) 0.951 1.345 ( 0.756 0.000 1.360) 1.556 1.363 ( -0.139 0.000 -1.474) 1.481 1.371 ( 2.551 0.000 0.566) 2.613 1.431 ( -1.786 0.000 -0.453) 1.842 1.463 ( -1.798 0.000 0.125) 1.802 1.480 ( 1.518 0.000 -0.735) 1.687 1.484 ( -1.679 0.000 -0.543) 1.764 1.510 ( -2.543 0.000 0.572) 2.607 1.522 ( 2.148 0.000 0.920) 2.336 1.528 ( 1.275 0.000 -3.104) 3.356 1.552 ( 2.397 0.000 2.151) 3.220 1.592 ( -1.371 0.000 -1.237) 1.847 1.606 ( 0.961 0.000 -0.315) 1.011 1.625 ( -0.205 0.000 2.737) 2.745 1.669 ( 1.234 0.000 -1.282) 1.780 1.697 ( -0.389 0.000 0.855) 0.939 1.704 ( -0.501 0.000 0.256) 0.562 1.761 ( -1.336 0.000 -0.413) 1.398 1.770 ( 0.636 0.000 1.530) 1.657 1.795 ( -0.440 0.000 1.486) 1.550 1.826 ( 0.894 0.000 -2.156) 2.334 1.871 ( -0.729 0.000 -1.703) 1.852 1.884 ( 2.021 0.000 3.223) 3.804 1.955 ( 0.198 0.000 0.475) 0.515 1.976 ( 1.715 0.000 -0.580) 1.810 2.027 ( 0.433 0.000 0.604) 0.743 2.053 ( 2.144 0.000 -0.635) 2.236 2.094 ( -0.531 0.000 1.072) 1.197 2.118 ( 0.134 0.000 -2.614) 2.617 2.136 ( -2.053 0.000 0.628) 2.147 2.187 ( 1.749 0.000 0.304) 1.775 2.229 ( -1.422 0.000 -0.136) 1.429 2.256 ( 1.005 0.000 -0.397) 1.081 2.284 ( -0.301 0.000 -0.455) 0.545 2.288 ( -0.033 0.000 -0.476) 0.477 2.389 ( -1.267 0.000 -1.076) 1.662 2.392 ( -0.869 0.000 1.187) 1.471 2.466 ( -0.776 0.000 -4.209) 4.280 2.480 ( 3.387 0.000 0.315) 3.402 2.525 ( -1.836 0.000 -2.445) 3.057 2.526 ( 0.110 0.000 1.855) 1.858 2.582 ( -0.108 0.000 1.790) 1.793 2.604 ( 0.405 0.000 -2.532) 2.564 2.652 ( -1.165 0.000 1.771) 2.119 2.705 ( 2.296 0.000 -1.459) 2.720 2.718 ( -0.204 0.000 3.779) 3.784 2.757 ( 0.851 0.000 -2.221) 2.378 2.873 ( -1.600 0.000 0.236) 1.617 2.900 ( 1.892 0.000 1.441) 2.378 2.933 ( -0.647 0.000 -0.064) 0.650 2.942 ( 0.019 0.000 -0.981) 0.982 3.031 ( -2.334 0.000 -0.885) 2.496 3.069 ( 2.458 0.000 0.547) 2.518 3.439 ( -0.249 0.000 1.522) 1.543 3.457 ( -0.032 0.000 -1.983) 1.984 3.646 ( -1.064 0.000 1.552) 1.882 3.675 ( 0.722 0.000 -0.900) 1.154 3.709 ( -0.501 0.000 0.698) 0.859 3.725 ( 0.758 0.000 -0.133) 0.770 4.076 ( 0.289 0.000 0.724) 0.780 4.083 ( 0.265 0.000 -0.645) 0.697 4.269 ( -0.765 0.000 3.906) 3.980 4.319 ( -0.613 0.000 -6.251) 6.281 4.532 ( -1.495 0.000 2.969) 3.324 4.610 ( 3.225 0.000 -5.057) 5.998 5.129 ( -0.703 0.000 0.872) 1.120 5.137 ( -0.273 0.000 0.086) 0.286 5.265 ( 0.069 0.000 -0.074) 0.101 5.273 ( 0.559 0.000 -0.203) 0.594 5.414 ( -2.946 0.000 3.051) 4.241 5.437 ( 0.493 0.000 2.329) 2.380 5.450 ( 0.335 0.000 -0.083) 0.345 5.460 ( 0.990 0.000 -0.024) 0.990 5.499 ( -0.973 0.000 -2.131) 2.343 5.500 ( 1.295 0.000 2.174) 2.530 5.628 ( -1.886 0.000 2.279) 2.958 5.669 ( 0.443 0.000 -1.609) 1.669 5.814 ( -4.925 0.000 1.446) 5.133 5.931 ( 4.308 0.000 -3.782) 5.733 5.990 ( 0.213 0.000 -0.610) 0.646 5.999 ( 0.492 0.000 -0.817) 0.954 6.095 ( 0.648 0.000 0.712) 0.962 6.108 ( 0.314 0.000 -1.823) 1.850 6.262 ( -1.034 0.000 -0.598) 1.195 6.277 ( 0.896 0.000 0.091) 0.901 6.325 ( -0.563 0.000 3.405) 3.451 6.342 ( -0.565 0.000 -0.308) 0.643 6.365 ( 0.544 0.000 0.386) 0.667 6.384 ( 1.078 0.000 -2.663) 2.873 6.497 ( 0.554 0.000 0.962) 1.110 6.502 ( -0.751 0.000 -2.374) 2.490 6.679 ( -7.219 0.000 -1.730) 7.424 6.789 ( 7.441 0.000 4.218) 8.553 6.906 ( -2.599 0.000 -1.927) 3.235 6.945 ( 2.715 0.000 0.700) 2.804 7.037 ( -1.643 0.000 0.671) 1.775 7.076 ( 2.446 0.000 -0.193) 2.453 7.273 ( -2.606 0.000 2.135) 3.369 7.339 ( 2.391 0.000 -2.138) 3.207 7.422 ( -0.627 0.000 2.293) 2.377 7.446 ( -0.169 0.000 -1.715) 1.723 7.663 ( -2.479 0.000 1.825) 3.078 7.703 ( 0.939 0.000 0.036) 0.940 8.347 ( -0.470 0.000 2.081) 2.133 8.377 ( 0.477 0.000 -2.088) 2.142 8.708 ( -0.524 0.000 -0.868) 1.014 8.710 ( -0.113 0.000 -0.124) 0.168 8.774 ( -0.801 0.000 0.000) 0.801 8.793 ( 0.996 0.000 -0.789) 1.271 8.877 ( -1.416 0.000 0.108) 1.420 8.914 ( 2.510 0.000 0.605) 2.582 8.939 ( 0.381 0.000 1.895) 1.933 8.942 ( -0.978 0.000 -0.603) 1.149 9.019 ( -1.664 0.000 1.068) 1.978 9.038 ( -0.071 0.000 -0.312) 0.320 9.070 ( -1.327 0.000 -1.325) 1.875 9.083 ( 1.325 0.000 2.754) 3.056 9.105 ( -2.947 0.000 -2.514) 3.874 9.180 ( 5.104 0.000 -0.852) 5.175 9.536 ( -1.175 0.000 2.131) 2.434 9.574 ( 0.979 0.000 -1.997) 2.225 9.766 ( -1.293 0.000 -0.711) 1.476 9.786 ( 1.859 0.000 1.319) 2.280 9.885 ( -1.373 0.000 1.333) 1.913 9.899 ( -0.276 0.000 0.844) 0.888 9.924 ( 0.354 0.000 -1.844) 1.878 9.926 ( 1.469 0.000 -0.493) 1.549 ======================= Grid point 54 (29/39) ======================= q-point: (-0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.353 ( -6.519 0.000 6.247) 9.029 0.390 ( -7.552 0.000 8.123) 11.091 0.581 ( -0.190 0.000 -3.680) 3.685 0.658 ( 1.046 0.000 -3.347) 3.507 0.687 ( -1.725 0.000 -4.626) 4.937 0.753 ( -0.453 0.000 -0.854) 0.967 0.771 ( -2.142 0.000 -1.134) 2.423 0.791 ( -0.294 0.000 2.277) 2.296 0.834 ( 1.794 0.000 0.357) 1.829 0.837 ( -1.142 0.000 -0.886) 1.445 0.858 ( 1.572 0.000 -0.282) 1.597 0.898 ( 0.224 0.000 0.433) 0.488 0.900 ( -4.029 0.000 11.179) 11.882 0.912 ( -0.590 0.000 -1.421) 1.539 0.924 ( 0.703 0.000 1.380) 1.549 0.960 ( 1.406 0.000 1.883) 2.350 0.961 ( -1.354 0.000 -0.649) 1.502 0.983 ( 1.511 0.000 0.460) 1.580 1.013 ( -0.558 0.000 3.096) 3.146 1.022 ( 0.445 0.000 3.804) 3.830 1.039 ( 0.745 0.000 -0.474) 0.883 1.057 ( 1.710 0.000 -0.034) 1.710 1.057 ( 0.483 0.000 0.035) 0.484 1.078 ( -0.227 0.000 -0.500) 0.549 1.090 ( -1.869 0.000 0.404) 1.912 1.104 ( 1.270 0.000 -0.269) 1.298 1.130 ( -1.857 0.000 0.781) 2.015 1.142 ( 0.455 0.000 -1.460) 1.529 1.179 ( 1.557 0.000 -0.938) 1.818 1.189 ( 0.024 0.000 1.324) 1.324 1.205 ( -1.052 0.000 1.191) 1.590 1.212 ( -0.499 0.000 -0.178) 0.530 1.223 ( 1.743 0.000 -0.210) 1.755 1.229 ( -1.348 0.000 1.077) 1.725 1.238 ( -0.606 0.000 0.064) 0.609 1.262 ( 0.038 0.000 -2.040) 2.040 1.265 ( -0.075 0.000 -0.417) 0.424 1.300 ( -2.112 0.000 0.274) 2.130 1.310 ( 0.185 0.000 0.164) 0.248 1.322 ( -0.412 0.000 1.853) 1.898 1.327 ( -0.824 0.000 -1.493) 1.705 1.349 ( -0.649 0.000 -0.287) 0.709 1.403 ( 3.620 0.000 0.632) 3.674 1.419 ( 0.602 0.000 -2.180) 2.262 1.423 ( 1.562 0.000 0.924) 1.815 1.428 ( -1.337 0.000 -1.786) 2.231 1.450 ( -1.700 0.000 0.008) 1.700 1.459 ( 1.575 0.000 0.177) 1.585 1.502 ( -0.487 0.000 -2.982) 3.021 1.516 ( -0.189 0.000 2.608) 2.614 1.565 ( -0.309 0.000 -0.334) 0.455 1.583 ( 1.196 0.000 2.106) 2.422 1.605 ( 0.597 0.000 0.703) 0.922 1.621 ( 0.556 0.000 0.641) 0.848 1.638 ( -0.267 0.000 -0.256) 0.370 1.672 ( 0.410 0.000 -0.987) 1.068 1.690 ( -1.145 0.000 -0.241) 1.170 1.705 ( 0.030 0.000 0.602) 0.602 1.733 ( -1.152 0.000 0.445) 1.235 1.791 ( -1.538 0.000 -1.932) 2.469 1.796 ( 1.182 0.000 0.470) 1.272 1.807 ( -0.800 0.000 2.711) 2.827 1.883 ( 2.176 0.000 -1.252) 2.510 1.898 ( -2.389 0.000 0.375) 2.419 1.976 ( 1.594 0.000 0.620) 1.711 1.995 ( 1.860 0.000 -1.681) 2.507 2.053 ( 3.035 0.000 -2.458) 3.906 2.072 ( -2.796 0.000 0.872) 2.929 2.091 ( -0.525 0.000 0.191) 0.558 2.095 ( -1.161 0.000 -0.607) 1.311 2.118 ( 3.827 0.000 -1.055) 3.969 2.164 ( -0.877 0.000 -3.498) 3.606 2.206 ( -1.100 0.000 -1.846) 2.149 2.241 ( -2.314 0.000 0.936) 2.496 2.270 ( 0.167 0.000 -1.042) 1.055 2.296 ( -0.325 0.000 2.332) 2.354 2.364 ( -0.214 0.000 -0.580) 0.618 2.401 ( -0.172 0.000 1.623) 1.632 2.435 ( 0.328 0.000 -0.718) 0.789 2.464 ( -1.878 0.000 -2.468) 3.101 2.524 ( -1.690 0.000 1.273) 2.115 2.535 ( 2.586 0.000 -1.374) 2.928 2.582 ( -0.143 0.000 0.600) 0.617 2.599 ( 1.492 0.000 -1.193) 1.911 2.650 ( -0.904 0.000 0.369) 0.977 2.709 ( 0.523 0.000 -2.491) 2.545 2.765 ( 1.020 0.000 -1.059) 1.470 2.766 ( -0.197 0.000 3.917) 3.922 2.828 ( -0.603 0.000 -1.702) 1.805 2.880 ( 0.153 0.000 -1.894) 1.900 2.975 ( 1.336 0.000 2.451) 2.791 3.002 ( -0.595 0.000 0.316) 0.674 3.010 ( 2.931 0.000 4.614) 5.466 3.097 ( 0.303 0.000 -0.433) 0.528 3.429 ( -0.066 0.000 -2.539) 2.540 3.446 ( -0.444 0.000 1.076) 1.165 3.632 ( -1.618 0.000 0.642) 1.741 3.671 ( 0.561 0.000 -2.007) 2.083 3.711 ( -0.135 0.000 0.980) 0.989 3.744 ( 1.340 0.000 -0.359) 1.387 4.083 ( 0.473 0.000 -0.756) 0.891 4.083 ( -0.156 0.000 -0.066) 0.169 4.251 ( -0.141 0.000 -1.886) 1.891 4.278 ( -2.350 0.000 3.158) 3.936 4.546 ( -1.142 0.000 3.941) 4.103 4.628 ( 4.033 0.000 -4.714) 6.204 5.128 ( -0.639 0.000 1.521) 1.650 5.135 ( -0.160 0.000 0.245) 0.293 5.264 ( -0.345 0.000 -1.800) 1.832 5.266 ( 0.661 0.000 -1.303) 1.461 5.396 ( -0.459 0.000 -0.270) 0.532 5.432 ( -2.066 0.000 -1.089) 2.336 5.451 ( -0.385 0.000 0.686) 0.787 5.456 ( 1.203 0.000 -0.441) 1.281 5.517 ( 1.357 0.000 0.970) 1.669 5.541 ( 0.179 0.000 1.683) 1.693 5.620 ( -1.421 0.000 2.477) 2.856 5.637 ( -1.058 0.000 -0.465) 1.156 5.792 ( -1.779 0.000 5.610) 5.885 5.948 ( 1.850 0.000 -3.698) 4.135 5.997 ( 1.611 0.000 -1.334) 2.092 6.004 ( 0.685 0.000 -0.468) 0.830 6.100 ( -0.272 0.000 -1.272) 1.301 6.108 ( -0.277 0.000 -0.348) 0.444 6.254 ( 0.999 0.000 0.622) 1.177 6.301 ( 1.708 0.000 1.132) 2.049 6.336 ( -1.315 0.000 2.437) 2.769 6.347 ( 1.898 0.000 -2.189) 2.897 6.380 ( -2.255 0.000 2.037) 3.038 6.382 ( -0.642 0.000 1.585) 1.710 6.453 ( -0.720 0.000 -1.667) 1.816 6.503 ( 0.287 0.000 -0.930) 0.973 6.616 ( 1.036 0.000 1.049) 1.475 6.832 ( -2.679 0.000 -2.104) 3.406 6.925 ( 0.595 0.000 0.818) 1.012 6.960 ( -0.354 0.000 -1.673) 1.711 7.030 ( 2.314 0.000 1.807) 2.936 7.132 ( 3.735 0.000 -0.517) 3.771 7.257 ( -1.794 0.000 3.001) 3.496 7.349 ( 1.433 0.000 -2.939) 3.270 7.419 ( -1.036 0.000 -0.810) 1.315 7.433 ( -0.454 0.000 0.675) 0.813 7.642 ( -1.758 0.000 1.998) 2.662 7.704 ( -0.559 0.000 -0.810) 0.984 8.354 ( -0.861 0.000 1.476) 1.708 8.366 ( 0.756 0.000 -1.748) 1.905 8.673 ( -1.830 0.000 -0.437) 1.882 8.703 ( -0.187 0.000 -0.123) 0.224 8.738 ( -1.788 0.000 -1.808) 2.543 8.787 ( -0.344 0.000 -2.348) 2.373 8.858 ( 0.159 0.000 -0.311) 0.349 8.924 ( -3.087 0.000 0.531) 3.133 8.946 ( 0.286 0.000 1.646) 1.671 8.947 ( 0.832 0.000 -0.978) 1.284 8.995 ( -2.450 0.000 -0.585) 2.519 9.018 ( -0.219 0.000 -0.770) 0.800 9.056 ( 0.612 0.000 1.567) 1.683 9.091 ( 1.698 0.000 0.850) 1.899 9.183 ( 4.173 0.000 4.066) 5.826 9.247 ( 3.556 0.000 -1.561) 3.883 9.535 ( -1.402 0.000 2.251) 2.652 9.573 ( 1.175 0.000 -1.970) 2.293 9.750 ( 0.203 0.000 -0.263) 0.332 9.814 ( -0.520 0.000 -0.393) 0.652 9.890 ( 0.538 0.000 1.609) 1.697 9.900 ( -0.586 0.000 0.656) 0.879 9.912 ( 0.518 0.000 -1.381) 1.475 9.942 ( 0.945 0.000 -0.758) 1.212 ======================= Grid point 55 (30/39) ======================= q-point: ( 0.00 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.432 ( -2.484 6.469 6.205) 9.301 0.531 ( 3.059 7.600 -0.591) 8.214 0.591 ( 0.643 3.395 -0.415) 3.480 0.649 ( 0.421 1.452 -2.839) 3.216 0.663 ( 0.296 -1.010 -0.165) 1.066 0.694 ( 0.268 1.702 -2.821) 3.305 0.740 ( -0.995 -1.180 2.405) 2.857 0.775 ( 0.255 -1.055 -1.638) 1.965 0.814 ( -1.105 -0.194 0.973) 1.485 0.837 ( 1.476 -1.856 -0.324) 2.394 0.860 ( -1.246 -0.563 1.151) 1.787 0.878 ( 0.719 -0.785 0.967) 1.439 0.889 ( 1.297 -1.829 -0.796) 2.379 0.922 ( -0.968 -0.420 -1.938) 2.207 0.933 ( -1.360 -1.346 2.798) 3.390 0.967 ( 1.319 -1.292 0.848) 2.032 0.973 ( -2.208 -0.435 0.670) 2.348 0.986 ( -0.303 -0.017 -0.042) 0.306 1.003 ( 0.012 -1.313 0.073) 1.315 1.023 ( 0.263 -1.935 -2.163) 2.914 1.061 ( 0.342 1.189 2.623) 2.900 1.076 ( 0.466 0.243 0.362) 0.638 1.085 ( 0.796 -0.705 3.003) 3.186 1.094 ( -1.627 -0.848 -0.034) 1.835 1.112 ( 1.359 1.132 1.261) 2.172 1.121 ( 0.426 0.948 0.879) 1.361 1.138 ( 0.504 1.255 1.652) 2.136 1.153 ( -1.533 -0.199 -0.183) 1.557 1.168 ( -0.996 0.417 -1.123) 1.558 1.179 ( -0.006 -0.108 1.432) 1.436 1.194 ( -0.709 0.217 0.857) 1.133 1.202 ( -0.689 0.051 -2.249) 2.353 1.218 ( 0.568 -0.652 -0.308) 0.918 1.226 ( 0.487 -1.147 0.065) 1.248 1.241 ( 0.245 -0.242 0.734) 0.811 1.250 ( -0.003 0.595 0.301) 0.667 1.264 ( 0.254 1.078 0.006) 1.108 1.287 ( 0.232 -0.339 -0.294) 0.505 1.311 ( 0.070 0.244 1.338) 1.362 1.321 ( -1.018 0.310 1.603) 1.924 1.330 ( -0.172 1.055 0.772) 1.319 1.360 ( -0.387 0.680 0.960) 1.238 1.390 ( 0.621 0.444 -1.028) 1.280 1.412 ( -0.043 -1.280 -0.601) 1.414 1.423 ( -0.888 0.046 1.083) 1.401 1.456 ( 1.519 1.139 -0.471) 1.956 1.460 ( -0.340 -0.061 -1.398) 1.440 1.482 ( -0.091 0.482 -1.222) 1.317 1.504 ( 0.949 0.192 1.341) 1.654 1.526 ( 1.341 -0.537 0.580) 1.557 1.555 ( -1.691 0.589 -0.748) 1.940 1.565 ( -0.135 -2.324 0.689) 2.427 1.579 ( 1.507 -2.428 -0.506) 2.902 1.591 ( -0.802 2.634 -4.272) 5.082 1.653 ( -0.172 1.250 0.694) 1.440 1.667 ( 0.494 0.324 -0.549) 0.806 1.707 ( 0.026 -0.242 1.587) 1.605 1.721 ( -0.419 0.133 0.659) 0.792 1.754 ( -0.910 1.728 1.595) 2.522 1.788 ( -0.473 2.359 -0.793) 2.533 1.800 ( -1.035 -1.366 3.343) 3.756 1.836 ( 0.669 -0.809 0.160) 1.062 1.841 ( -0.803 -0.901 1.221) 1.716 1.879 ( 0.254 -0.657 -2.218) 2.327 1.970 ( -1.780 -2.378 2.114) 3.646 2.001 ( -1.687 -0.964 0.399) 1.984 2.013 ( 0.553 -1.242 -0.735) 1.545 2.038 ( 0.885 -0.932 -3.099) 3.355 2.060 ( 0.541 -1.387 -0.556) 1.589 2.091 ( -0.386 -0.488 -3.034) 3.097 2.126 ( 0.475 -1.039 1.179) 1.642 2.158 ( 1.289 -0.702 -1.954) 2.444 2.193 ( -1.398 1.164 0.617) 1.921 2.210 ( 0.670 0.675 -1.018) 1.393 2.275 ( 1.541 -0.535 1.154) 1.998 2.292 ( -0.771 0.050 -0.404) 0.872 2.369 ( -0.226 -0.330 0.116) 0.416 2.377 ( 0.081 -0.651 -0.429) 0.784 2.445 ( 0.193 0.690 0.490) 0.868 2.455 ( -0.414 0.599 -0.550) 0.913 2.524 ( 0.197 1.097 0.263) 1.145 2.543 ( 1.213 -0.178 -1.566) 1.989 2.599 ( 0.698 -0.144 0.084) 0.718 2.607 ( 0.778 -0.263 -0.734) 1.101 2.666 ( -0.423 2.188 1.766) 2.843 2.704 ( -0.432 1.987 -1.713) 2.659 2.757 ( -0.992 -0.785 1.416) 1.899 2.775 ( 0.946 -0.283 -0.570) 1.140 2.843 ( 0.208 0.748 0.749) 1.078 2.865 ( -0.158 -0.245 -1.194) 1.229 2.955 ( -0.074 -2.158 1.634) 2.708 2.977 ( 0.445 -2.971 -0.287) 3.018 3.143 ( 0.854 5.530 1.435) 5.777 3.172 ( -0.792 5.213 -0.950) 5.358 3.384 ( 1.445 -3.807 -0.074) 4.073 3.399 ( -1.589 -3.468 -1.043) 3.955 3.608 ( -0.840 0.107 2.022) 2.192 3.651 ( 0.490 -0.449 -1.905) 2.017 3.703 ( -0.039 -1.217 1.178) 1.694 3.727 ( -0.256 -1.266 -0.926) 1.589 4.122 ( -0.413 3.347 0.452) 3.402 4.141 ( 0.520 4.057 -1.692) 4.426 4.241 ( -1.745 -1.212 1.657) 2.694 4.277 ( 2.685 -1.255 -1.904) 3.523 4.649 ( -1.147 7.328 1.768) 7.625 4.711 ( 2.954 5.633 -4.414) 7.742 5.104 ( 0.440 -3.949 1.055) 4.111 5.134 ( -0.417 -4.044 -1.724) 4.416 5.210 ( -0.830 -0.447 0.950) 1.339 5.237 ( -0.395 -0.817 -1.424) 1.689 5.325 ( 0.526 -2.879 2.159) 3.637 5.363 ( 0.082 -1.697 -1.625) 2.351 5.424 ( -1.291 -1.905 2.245) 3.215 5.457 ( -0.442 -1.308 0.094) 1.383 5.479 ( -1.842 -1.387 1.160) 2.581 5.521 ( 1.585 -1.804 -1.674) 2.927 5.656 ( -3.677 1.616 4.406) 5.962 5.694 ( -0.706 1.583 2.575) 3.104 5.843 ( 2.103 1.531 1.335) 2.924 5.942 ( 3.699 -0.490 -6.660) 7.634 6.003 ( -0.186 0.503 0.591) 0.798 6.049 ( 0.262 -0.280 -3.385) 3.407 6.093 ( 0.750 2.716 0.197) 2.825 6.108 ( 0.172 2.024 -1.455) 2.499 6.263 ( 0.811 -1.553 0.290) 1.776 6.269 ( -1.351 -1.108 -0.566) 1.837 6.365 ( -0.267 0.955 1.766) 2.026 6.381 ( 0.482 1.115 0.909) 1.517 6.395 ( -0.221 0.348 0.598) 0.726 6.416 ( 1.472 0.724 0.090) 1.643 6.429 ( -0.151 -0.624 1.865) 1.972 6.479 ( 0.286 -0.949 -2.149) 2.366 6.696 ( 3.147 0.152 2.011) 3.738 6.734 ( -3.785 -1.003 -2.061) 4.425 6.883 ( -0.709 -0.719 0.890) 1.346 6.903 ( 0.208 -1.634 -0.848) 1.853 7.122 ( 0.237 0.989 2.676) 2.863 7.163 ( -0.667 -0.043 -1.437) 1.584 7.261 ( -0.408 -0.247 2.238) 2.288 7.302 ( 0.023 -2.016 -1.712) 2.644 7.437 ( 0.067 2.124 0.408) 2.164 7.447 ( -0.199 2.235 -0.744) 2.363 7.638 ( -0.424 -0.492 1.947) 2.052 7.665 ( -0.444 -1.209 -0.793) 1.513 8.392 ( -1.197 3.843 0.672) 4.081 8.411 ( 1.184 3.677 -1.129) 4.024 8.612 ( -0.899 -4.285 1.575) 4.653 8.641 ( 0.223 -4.786 -1.454) 5.007 8.712 ( -0.525 0.721 0.553) 1.050 8.740 ( -0.033 0.283 -2.333) 2.350 8.881 ( 0.313 -0.018 1.527) 1.559 8.901 ( -0.102 -0.705 0.913) 1.158 8.904 ( -0.742 1.036 -0.694) 1.451 8.923 ( 1.079 -1.565 -1.269) 2.286 9.017 ( 0.127 0.929 1.063) 1.417 9.033 ( -0.299 -0.445 -0.497) 0.731 9.099 ( -1.131 2.151 2.214) 3.287 9.132 ( 1.251 1.731 -0.463) 2.185 9.253 ( 1.395 -0.298 0.233) 1.446 9.282 ( 0.645 -0.289 -2.232) 2.341 9.557 ( -0.963 2.387 1.664) 3.065 9.588 ( 0.800 1.783 -1.570) 2.507 9.722 ( 0.989 -3.640 0.555) 3.813 9.738 ( -1.136 -3.233 -1.150) 3.615 9.893 ( -1.010 0.059 1.945) 2.193 9.899 ( -1.218 0.092 2.232) 2.544 9.938 ( 0.920 0.722 -1.561) 1.950 9.951 ( 0.818 0.374 -2.077) 2.263 ======================= Grid point 56 (31/39) ======================= q-point: ( 0.20 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.463 ( 1.769 4.670 1.691) 5.273 0.566 ( 3.283 1.439 -3.232) 4.826 0.602 ( -0.962 -0.633 -2.995) 3.209 0.647 ( 2.440 5.636 0.937) 6.213 0.670 ( 0.231 -0.423 -1.302) 1.389 0.701 ( 2.483 2.068 0.442) 3.261 0.754 ( -0.681 -1.832 0.768) 2.100 0.777 ( 2.097 -0.066 0.091) 2.100 0.788 ( -2.452 -1.028 1.018) 2.847 0.829 ( -1.796 -0.876 0.062) 2.000 0.846 ( 0.388 0.183 -0.781) 0.891 0.876 ( 0.052 -1.605 0.168) 1.614 0.895 ( -0.393 -0.699 -0.475) 0.932 0.925 ( 1.390 0.237 -0.097) 1.413 0.956 ( 0.081 -0.236 2.168) 2.182 0.969 ( -0.429 -1.810 -0.829) 2.037 0.985 ( -1.374 -0.467 1.252) 1.916 1.005 ( 1.813 -0.162 0.582) 1.911 1.012 ( 0.163 -1.275 -0.955) 1.601 1.027 ( 0.100 -1.332 0.273) 1.363 1.037 ( -0.285 -0.755 1.440) 1.651 1.056 ( -1.192 0.840 -0.266) 1.482 1.080 ( -0.319 0.222 -0.568) 0.688 1.091 ( -2.338 -1.715 -0.410) 2.928 1.108 ( -0.297 -1.138 0.452) 1.260 1.127 ( -0.413 0.541 -1.210) 1.388 1.143 ( 0.328 0.095 0.767) 0.840 1.151 ( -0.467 1.672 -2.081) 2.710 1.165 ( 0.129 0.589 1.795) 1.893 1.182 ( -1.401 -0.535 2.042) 2.533 1.191 ( 0.525 0.190 -0.088) 0.566 1.195 ( 0.872 -0.686 0.876) 1.414 1.225 ( 0.582 0.012 -0.158) 0.603 1.229 ( 0.496 0.026 -0.686) 0.847 1.248 ( 0.144 -0.601 0.089) 0.625 1.267 ( 0.325 -0.096 0.034) 0.340 1.282 ( 1.050 1.189 -0.174) 1.596 1.288 ( 0.927 0.950 -0.469) 1.407 1.303 ( -1.710 -0.285 0.652) 1.852 1.324 ( 0.483 0.292 0.058) 0.567 1.353 ( -1.613 -1.614 -0.915) 2.458 1.358 ( 0.382 -0.443 2.460) 2.528 1.385 ( 0.666 0.645 -1.835) 2.055 1.409 ( -1.165 0.655 -0.379) 1.389 1.425 ( 0.681 1.324 1.738) 2.289 1.439 ( -0.617 0.600 -0.651) 1.079 1.464 ( 0.030 0.697 -0.442) 0.825 1.477 ( -0.192 1.436 -0.145) 1.456 1.496 ( -0.436 0.787 -0.995) 1.341 1.520 ( -0.234 0.050 -3.052) 3.062 1.549 ( -0.157 -0.030 3.023) 3.027 1.551 ( -0.757 -1.142 0.391) 1.425 1.579 ( 1.854 -1.293 -0.102) 2.262 1.617 ( 2.388 0.497 0.097) 2.441 1.648 ( -0.858 0.532 -0.891) 1.347 1.667 ( 0.069 0.188 -0.091) 0.220 1.713 ( -1.059 -0.131 0.631) 1.240 1.717 ( 0.020 0.169 -0.523) 0.550 1.763 ( -0.811 2.483 3.034) 4.004 1.779 ( -0.047 2.045 -0.554) 2.119 1.803 ( -1.257 0.306 1.704) 2.139 1.827 ( -0.804 -1.239 0.051) 1.478 1.851 ( -0.198 -1.519 0.715) 1.691 1.876 ( 1.021 -1.852 -0.768) 2.250 1.963 ( -1.416 -1.601 2.041) 2.956 1.979 ( -0.993 -0.565 1.360) 1.775 1.996 ( -2.634 0.129 -0.434) 2.672 2.044 ( 1.559 -1.662 0.424) 2.318 2.048 ( -1.382 -1.931 0.634) 2.458 2.074 ( 1.307 -1.008 -0.105) 1.654 2.113 ( -1.332 -0.256 -0.250) 1.379 2.138 ( -0.247 -0.684 -2.281) 2.394 2.212 ( 1.775 0.750 0.298) 1.950 2.243 ( 2.576 0.050 -0.076) 2.577 2.275 ( 0.187 0.422 -1.794) 1.852 2.307 ( 0.185 -0.500 0.356) 0.641 2.370 ( 1.194 0.179 0.237) 1.230 2.406 ( 2.224 -0.898 -0.007) 2.398 2.444 ( -0.155 0.838 -0.539) 1.008 2.459 ( 0.611 0.538 0.553) 0.985 2.509 ( -1.144 0.838 -0.409) 1.476 2.549 ( 1.056 -0.234 -1.637) 1.962 2.592 ( -0.893 -0.416 -0.925) 1.351 2.598 ( -0.004 -0.481 -1.606) 1.677 2.682 ( 0.026 1.900 1.083) 2.187 2.691 ( -0.165 2.206 0.159) 2.218 2.743 ( -1.749 -0.197 0.968) 2.008 2.785 ( 1.008 -0.953 -0.907) 1.657 2.835 ( -1.271 0.248 -0.471) 1.378 2.865 ( 0.808 0.923 0.359) 1.278 2.933 ( -2.441 -2.687 0.253) 3.639 2.984 ( 0.263 -2.940 -0.869) 3.076 3.123 ( -1.558 5.475 -0.312) 5.701 3.192 ( 1.299 5.369 0.146) 5.526 3.361 ( -0.935 -3.705 -0.051) 3.821 3.418 ( 1.247 -3.492 0.578) 3.752 3.624 ( -0.229 0.299 2.308) 2.339 3.644 ( 1.100 -0.153 -1.587) 1.937 3.711 ( -0.342 -1.261 -0.295) 1.340 3.711 ( -0.683 -1.206 0.704) 1.555 4.109 ( -0.965 3.202 0.429) 3.371 4.137 ( 0.106 4.098 -0.469) 4.126 4.222 ( -1.128 -0.755 0.991) 1.680 4.316 ( 3.115 -2.637 -2.392) 4.731 4.642 ( -1.442 7.376 1.654) 7.695 4.711 ( 2.254 5.837 -4.803) 7.888 5.104 ( -0.039 -4.761 -0.406) 4.779 5.139 ( 0.782 -2.650 0.398) 2.791 5.209 ( -0.555 -0.404 1.756) 1.886 5.238 ( 0.810 -1.193 0.516) 1.531 5.332 ( -1.167 -3.154 -1.022) 3.515 5.344 ( -0.387 -2.431 0.030) 2.462 5.424 ( -2.195 -1.425 3.761) 4.582 5.445 ( -1.477 -1.211 1.204) 2.258 5.457 ( -0.271 0.075 -0.219) 0.356 5.526 ( -0.072 -2.596 -0.888) 2.745 5.652 ( -0.677 1.160 3.262) 3.527 5.701 ( -1.994 1.185 3.455) 4.162 5.888 ( 2.286 2.021 -1.600) 3.445 5.925 ( 2.945 0.773 -6.984) 7.618 6.027 ( 0.981 0.104 -1.447) 1.751 6.032 ( 0.886 0.885 1.118) 1.679 6.091 ( 0.660 0.750 -1.125) 1.504 6.119 ( 1.263 2.519 -0.459) 2.856 6.248 ( -0.591 -1.066 0.119) 1.224 6.276 ( -0.819 -1.805 0.472) 2.038 6.347 ( -1.827 1.321 -0.094) 2.256 6.386 ( -1.214 -0.771 0.047) 1.439 6.394 ( 0.763 0.516 -1.547) 1.800 6.432 ( 1.100 -0.065 -0.607) 1.258 6.459 ( 0.480 0.317 -1.457) 1.567 6.466 ( 1.177 -0.882 0.152) 1.479 6.650 ( -2.619 1.924 -0.386) 3.272 6.776 ( 3.189 -1.952 2.142) 4.309 6.894 ( 0.448 -1.095 0.610) 1.331 6.918 ( 1.481 -0.998 -0.114) 1.790 7.087 ( -4.721 1.015 -0.807) 4.896 7.117 ( -3.047 0.210 1.477) 3.393 7.282 ( -0.315 -0.307 2.290) 2.332 7.298 ( 1.117 -1.212 -1.745) 2.401 7.441 ( 0.143 2.497 0.278) 2.516 7.457 ( 1.282 1.441 -0.093) 1.931 7.657 ( 0.286 -0.908 0.592) 1.121 7.659 ( 0.217 -0.908 1.035) 1.393 8.379 ( -1.076 3.874 1.127) 4.175 8.422 ( 1.128 3.801 -0.966) 4.081 8.605 ( -0.468 -4.913 1.037) 5.043 8.669 ( 2.138 -5.021 0.160) 5.459 8.720 ( 0.902 1.063 0.595) 1.516 8.743 ( 1.474 0.322 0.221) 1.525 8.879 ( -0.909 1.640 -0.577) 1.962 8.890 ( -0.763 -0.938 0.413) 1.278 8.927 ( 2.034 -0.074 0.688) 2.149 8.932 ( 1.093 -2.430 -1.311) 2.969 9.003 ( -0.766 1.395 -0.284) 1.617 9.044 ( 0.584 -0.840 0.044) 1.024 9.089 ( -2.245 1.025 1.660) 2.974 9.134 ( 0.548 2.791 -1.795) 3.363 9.230 ( -2.647 -0.941 -2.334) 3.653 9.256 ( -1.176 0.609 -0.880) 1.590 9.558 ( -0.731 2.607 1.502) 3.096 9.590 ( 0.926 1.751 -1.257) 2.346 9.717 ( 0.022 -2.654 -0.641) 2.731 9.750 ( 0.911 -4.193 0.710) 4.349 9.886 ( -1.685 0.436 2.180) 2.790 9.904 ( -0.854 0.061 1.710) 1.912 9.929 ( -0.181 0.676 -1.049) 1.261 9.950 ( 1.202 0.418 -1.942) 2.322 ======================= Grid point 57 (32/39) ======================= q-point: ( 0.40 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.498 ( -0.118 0.529 -2.415) 2.475 0.533 ( 0.155 -0.209 -3.813) 3.822 0.613 ( 1.181 -1.612 2.837) 3.470 0.656 ( 1.562 2.941 -0.924) 3.456 0.706 ( 1.096 1.659 1.324) 2.389 0.718 ( -1.105 -3.639 -1.473) 4.078 0.763 ( 0.609 0.626 0.284) 0.918 0.784 ( -1.801 1.662 1.488) 2.867 0.793 ( 0.543 -0.847 2.256) 2.470 0.824 ( 1.444 -0.007 -0.699) 1.604 0.850 ( 0.151 0.643 0.124) 0.672 0.863 ( -0.212 -1.311 -0.408) 1.389 0.890 ( -0.278 -1.328 -0.042) 1.358 0.927 ( -0.217 -1.344 -1.500) 2.025 0.946 ( -0.772 -0.042 0.176) 0.792 0.961 ( -1.227 -0.822 -0.888) 1.723 0.978 ( -1.200 0.358 -0.321) 1.293 0.981 ( -0.104 -0.215 0.734) 0.772 1.015 ( 0.068 0.524 -0.547) 0.761 1.033 ( -0.906 0.376 -0.644) 1.173 1.036 ( -0.358 0.387 0.061) 0.531 1.044 ( 0.472 0.107 0.205) 0.526 1.057 ( 0.079 -0.475 -0.575) 0.750 1.085 ( -1.588 0.725 -0.827) 1.932 1.107 ( -0.033 -0.577 -0.248) 0.629 1.118 ( 1.095 -0.280 -0.855) 1.418 1.141 ( 0.216 -0.306 0.952) 1.023 1.155 ( 0.831 -0.753 1.224) 1.659 1.177 ( -1.090 1.172 1.556) 2.233 1.187 ( 0.590 -0.140 0.059) 0.609 1.204 ( 1.278 0.121 0.895) 1.565 1.210 ( 0.160 -0.212 -1.755) 1.775 1.231 ( 0.727 -0.151 -0.913) 1.177 1.237 ( 0.244 -0.452 0.829) 0.975 1.254 ( -0.571 -0.602 1.005) 1.303 1.262 ( -1.570 -0.425 -0.198) 1.638 1.272 ( -0.260 -0.340 1.066) 1.149 1.286 ( -2.195 0.445 0.132) 2.243 1.309 ( 1.309 0.557 -0.736) 1.602 1.324 ( 0.919 0.396 0.473) 1.107 1.334 ( -0.156 0.214 -0.287) 0.391 1.346 ( -1.656 0.536 1.031) 2.023 1.372 ( -0.688 0.635 -0.390) 1.014 1.402 ( -0.674 0.410 -0.266) 0.833 1.426 ( 0.081 -0.486 0.086) 0.500 1.445 ( 0.942 -1.008 -0.541) 1.482 1.456 ( 0.683 0.199 -0.424) 0.828 1.483 ( -0.138 -0.397 0.483) 0.640 1.499 ( 0.198 -0.196 -0.317) 0.423 1.514 ( 2.052 1.898 -0.845) 2.921 1.531 ( -1.760 -1.294 0.989) 2.398 1.560 ( -0.361 -1.232 -0.783) 1.504 1.592 ( -0.094 0.163 -1.721) 1.731 1.631 ( -0.300 0.790 -1.140) 1.419 1.643 ( -0.534 0.201 0.599) 0.827 1.655 ( 0.201 1.022 -0.392) 1.113 1.706 ( -0.298 0.549 1.091) 1.257 1.727 ( 0.614 0.451 0.107) 0.769 1.761 ( -1.282 0.717 0.585) 1.581 1.791 ( 0.799 0.621 -0.766) 1.269 1.798 ( -0.812 1.808 3.277) 3.830 1.816 ( -0.251 -0.374 0.282) 0.532 1.847 ( -1.059 -0.338 0.992) 1.490 1.885 ( 0.571 -2.034 -0.726) 2.234 1.956 ( -1.483 0.579 1.329) 2.073 1.962 ( 0.323 0.467 0.122) 0.580 2.002 ( 0.855 -1.217 2.369) 2.797 2.032 ( -1.953 -0.503 2.718) 3.384 2.075 ( -0.343 -1.584 -0.540) 1.708 2.090 ( 0.942 -2.120 2.014) 3.073 2.124 ( 1.118 -0.089 -1.893) 2.200 2.132 ( 2.187 -0.872 0.606) 2.431 2.237 ( 1.228 0.123 -0.734) 1.436 2.251 ( -0.205 -0.703 -1.878) 2.016 2.277 ( 0.471 0.315 0.216) 0.606 2.304 ( 0.030 -0.311 -0.276) 0.417 2.391 ( 0.510 0.576 -0.045) 0.771 2.422 ( -0.761 0.423 -1.410) 1.657 2.438 ( 1.379 -0.438 -0.677) 1.598 2.487 ( 1.472 0.095 1.065) 1.820 2.508 ( 0.866 0.480 -0.331) 1.044 2.529 ( -0.941 -1.705 -2.067) 2.840 2.565 ( -0.412 -0.425 -0.666) 0.892 2.590 ( 0.453 -1.250 -1.088) 1.718 2.679 ( -0.043 1.395 -0.360) 1.442 2.697 ( -0.587 1.479 1.113) 1.942 2.719 ( -1.826 -0.016 1.261) 2.219 2.771 ( -0.416 -2.148 -2.933) 3.659 2.835 ( 0.976 0.802 1.776) 2.180 2.876 ( -0.375 1.122 0.881) 1.475 2.906 ( -0.524 -2.637 0.084) 2.690 2.957 ( -1.059 -2.564 -2.602) 3.804 3.118 ( 0.911 6.620 0.864) 6.738 3.187 ( -1.161 6.454 -1.327) 6.690 3.377 ( 0.903 -3.727 2.014) 4.331 3.431 ( 0.267 -3.446 -0.595) 3.507 3.638 ( -0.770 0.088 2.001) 2.146 3.657 ( 1.289 -0.347 -0.747) 1.529 3.703 ( -0.683 -0.860 0.489) 1.203 3.706 ( 0.097 -1.008 -0.151) 1.024 4.107 ( -0.049 3.099 0.755) 3.190 4.131 ( -0.147 3.437 -0.571) 3.487 4.232 ( 0.365 -0.332 2.218) 2.272 4.327 ( 1.324 -2.848 -3.414) 4.639 4.635 ( -0.935 7.993 1.399) 8.168 4.697 ( 1.841 6.527 -4.707) 8.255 5.117 ( 1.122 -3.638 0.453) 3.834 5.141 ( -0.574 -0.837 0.130) 1.023 5.233 ( 0.109 -1.627 2.696) 3.151 5.259 ( 0.857 -1.278 0.200) 1.551 5.302 ( -1.006 -6.270 -0.120) 6.352 5.326 ( -1.068 -4.345 -0.647) 4.521 5.424 ( -2.172 -0.669 4.320) 4.881 5.442 ( -0.249 -0.141 0.970) 1.012 5.465 ( 1.208 0.180 -0.534) 1.333 5.505 ( -0.745 -2.317 -1.053) 2.651 5.687 ( 0.310 1.500 2.963) 3.335 5.695 ( -2.797 1.827 4.014) 5.223 5.895 ( 2.313 1.514 -3.720) 4.634 5.921 ( 2.408 1.495 -4.077) 4.965 6.026 ( 0.212 1.865 -0.051) 1.877 6.053 ( 0.759 4.066 -0.565) 4.175 6.106 ( 1.069 -0.011 -1.196) 1.604 6.119 ( -0.383 0.584 -1.420) 1.582 6.242 ( 0.123 -0.515 0.107) 0.540 6.261 ( -0.479 -2.837 1.409) 3.204 6.299 ( -2.080 1.002 -0.393) 2.342 6.352 ( -1.349 -2.381 -1.769) 3.259 6.394 ( 0.764 0.132 -2.621) 2.733 6.406 ( -2.037 0.771 -2.325) 3.186 6.460 ( 0.735 -0.762 0.964) 1.432 6.490 ( 1.096 -1.645 -0.392) 2.015 6.676 ( 3.851 3.310 2.479) 5.651 6.828 ( -2.924 -2.605 0.011) 3.916 6.887 ( 1.597 1.473 0.158) 2.179 6.938 ( 0.158 -0.710 0.481) 0.872 7.028 ( -0.455 0.003 0.024) 0.456 7.065 ( -3.456 -0.517 0.565) 3.540 7.289 ( -1.197 -0.064 1.700) 2.080 7.304 ( 1.348 -0.826 -1.307) 2.052 7.450 ( -0.037 2.496 1.003) 2.690 7.474 ( 0.800 1.316 -0.650) 1.671 7.669 ( 0.244 -0.898 0.655) 1.138 7.671 ( -0.449 -0.929 1.181) 1.568 8.381 ( -0.462 4.084 1.858) 4.510 8.428 ( 0.716 3.824 -1.340) 4.114 8.624 ( 0.832 -5.016 1.857) 5.413 8.684 ( -0.499 -5.079 -0.246) 5.110 8.759 ( 2.086 1.109 0.661) 2.453 8.787 ( 2.066 0.915 0.851) 2.414 8.849 ( -1.259 -0.339 -0.250) 1.328 8.892 ( 0.240 0.538 0.316) 0.668 8.927 ( 0.203 -2.647 -1.721) 3.164 8.945 ( -1.238 -1.312 0.184) 1.813 9.010 ( 2.026 0.149 -0.664) 2.137 9.050 ( 0.026 0.247 0.934) 0.967 9.059 ( -2.054 0.352 0.485) 2.140 9.121 ( -0.888 0.426 -1.749) 2.008 9.163 ( -0.218 1.381 -1.772) 2.257 9.211 ( -1.905 1.366 -1.864) 2.995 9.561 ( -0.738 2.776 1.542) 3.260 9.594 ( 0.997 1.967 -1.434) 2.631 9.726 ( 1.288 -2.382 -0.002) 2.707 9.757 ( -0.681 -4.073 -0.026) 4.130 9.880 ( -1.612 0.381 2.376) 2.896 9.906 ( -0.360 0.239 1.104) 1.185 9.918 ( -0.163 1.009 -0.294) 1.063 9.951 ( 1.197 0.503 -2.015) 2.397 ======================= Grid point 58 (33/39) ======================= q-point: (-0.40 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.435 ( -5.006 1.540 3.637) 6.377 0.508 ( -1.569 1.596 -0.415) 2.276 0.642 ( -3.031 2.415 -0.052) 3.875 0.666 ( 1.003 -2.906 2.756) 4.129 0.675 ( 0.030 -2.986 -3.227) 4.397 0.739 ( 3.631 1.569 -0.675) 4.013 0.776 ( -1.586 -1.238 2.821) 3.465 0.803 ( -1.149 0.044 -2.918) 3.136 0.811 ( 1.016 0.628 0.674) 1.372 0.823 ( 1.711 -1.153 -1.702) 2.675 0.842 ( -0.448 0.268 2.798) 2.847 0.857 ( -1.480 -1.215 -0.373) 1.951 0.888 ( 1.277 -1.534 0.343) 2.025 0.908 ( -0.136 0.149 -2.272) 2.281 0.940 ( -0.491 -0.480 0.096) 0.693 0.951 ( 0.444 -1.374 0.618) 1.570 0.978 ( 0.070 -0.157 1.281) 1.293 0.980 ( -0.635 0.697 0.532) 1.083 1.004 ( -1.039 1.650 -0.991) 2.187 1.017 ( 0.548 -0.276 -0.319) 0.692 1.042 ( -0.076 1.023 0.191) 1.043 1.049 ( 0.261 2.068 1.988) 2.881 1.051 ( -0.320 0.599 -0.430) 0.804 1.063 ( 1.532 0.433 -0.409) 1.644 1.092 ( -1.216 0.859 -0.378) 1.536 1.130 ( 0.842 0.080 -0.565) 1.017 1.154 ( -1.903 -0.970 0.141) 2.141 1.166 ( -1.828 0.824 0.552) 2.079 1.175 ( 1.198 -1.099 0.204) 1.638 1.188 ( -2.777 1.749 2.179) 3.940 1.196 ( -0.592 -0.331 1.124) 1.313 1.207 ( 0.225 0.848 0.078) 0.881 1.227 ( 1.248 -1.524 -1.772) 2.649 1.248 ( -0.179 0.590 0.584) 0.849 1.250 ( -0.940 -0.337 0.111) 1.005 1.256 ( 0.348 -0.832 1.589) 1.827 1.264 ( 0.123 -0.899 -0.484) 1.029 1.283 ( -3.529 0.391 1.580) 3.886 1.289 ( 1.631 -1.378 -0.103) 2.138 1.323 ( -1.343 0.253 0.910) 1.642 1.337 ( -0.189 -0.081 -0.592) 0.626 1.367 ( 0.486 0.870 0.063) 0.998 1.377 ( 1.474 0.740 1.548) 2.262 1.388 ( 1.108 0.781 -0.864) 1.607 1.437 ( -0.301 -0.533 -1.387) 1.517 1.443 ( 1.195 -0.907 -0.527) 1.590 1.456 ( -0.691 -0.826 0.933) 1.425 1.466 ( -1.015 -1.814 -0.901) 2.265 1.504 ( -0.519 -0.201 0.647) 0.854 1.519 ( -0.447 0.102 0.934) 1.040 1.537 ( 0.239 -0.352 -1.825) 1.874 1.554 ( 1.811 -0.469 -0.533) 1.945 1.587 ( 0.231 0.043 0.961) 0.989 1.598 ( 0.084 1.243 -1.780) 2.173 1.647 ( -0.594 0.840 0.237) 1.056 1.666 ( 1.198 -0.087 0.153) 1.211 1.706 ( -1.375 0.854 1.023) 1.915 1.723 ( 0.081 0.825 0.142) 0.841 1.759 ( -1.026 0.605 1.381) 1.824 1.786 ( 0.190 -0.445 -0.549) 0.732 1.800 ( -0.566 0.913 1.323) 1.704 1.832 ( 0.525 0.099 -0.950) 1.090 1.856 ( -0.137 -1.749 2.566) 3.108 1.879 ( 0.565 0.350 -1.499) 1.639 1.955 ( 0.043 0.273 0.430) 0.511 1.983 ( 2.121 0.582 -0.786) 2.335 2.030 ( -0.172 -0.514 0.979) 1.119 2.052 ( 1.696 0.218 0.676) 1.839 2.068 ( -0.961 -2.359 1.902) 3.179 2.102 ( -1.011 -1.379 0.071) 1.711 2.116 ( 0.568 -0.315 -2.856) 2.929 2.168 ( 2.527 -1.488 -1.780) 3.430 2.225 ( -1.485 -0.041 -0.451) 1.553 2.251 ( 0.784 -0.539 -0.813) 1.252 2.284 ( -0.378 -0.097 0.617) 0.730 2.295 ( -0.160 -0.141 -0.912) 0.936 2.387 ( -1.320 0.424 0.340) 1.427 2.402 ( -0.150 0.750 0.338) 0.836 2.452 ( -1.264 -1.482 -1.764) 2.627 2.472 ( 1.469 -1.330 0.154) 1.987 2.519 ( -0.037 0.461 -1.461) 1.533 2.525 ( 0.542 0.427 -0.087) 0.696 2.566 ( -0.116 -1.073 0.516) 1.196 2.585 ( 1.011 -1.164 -1.337) 2.041 2.669 ( -1.565 0.927 0.498) 1.886 2.701 ( 1.064 -0.336 1.680) 2.017 2.722 ( 0.357 0.133 0.500) 0.629 2.750 ( 1.002 -0.781 -1.474) 1.946 2.867 ( -1.310 -0.289 -0.623) 1.480 2.881 ( 1.445 -1.044 1.918) 2.619 2.909 ( -0.145 -0.945 -0.270) 0.994 2.913 ( -0.019 -0.860 -0.551) 1.022 3.140 ( -1.727 7.226 -1.381) 7.557 3.160 ( 1.815 6.608 1.263) 6.968 3.406 ( -0.099 -3.405 1.149) 3.595 3.420 ( 0.000 -3.606 -1.421) 3.876 3.635 ( -1.592 -0.390 1.535) 2.246 3.664 ( -0.033 -0.830 -0.275) 0.875 3.697 ( -0.044 -0.481 0.059) 0.487 3.717 ( 1.173 -0.663 -0.409) 1.408 4.116 ( 0.069 3.152 0.427) 3.182 4.126 ( 0.674 3.052 -0.679) 3.198 4.265 ( -0.008 -0.517 2.698) 2.747 4.294 ( -0.488 -1.829 -4.032) 4.454 4.640 ( -0.121 8.397 1.165) 8.478 4.688 ( 2.407 6.729 -4.177) 8.278 5.123 ( -1.152 -1.735 -0.020) 2.083 5.142 ( 0.796 -1.507 0.153) 1.711 5.246 ( -0.838 -1.951 0.994) 2.344 5.272 ( 0.628 -0.524 -0.803) 1.146 5.283 ( -1.742 -6.830 1.691) 7.249 5.328 ( 2.183 -6.629 -0.646) 7.009 5.431 ( -1.514 -0.856 3.035) 3.498 5.446 ( -0.636 -0.835 0.907) 1.388 5.485 ( 1.196 -0.706 -0.707) 1.558 5.489 ( 0.982 -0.406 -1.031) 1.480 5.688 ( -2.844 2.353 4.536) 5.848 5.702 ( -1.995 1.355 2.471) 3.453 5.869 ( -2.040 3.871 -2.852) 5.223 5.931 ( 3.554 -0.072 -4.379) 5.640 6.025 ( -0.749 2.744 0.622) 2.912 6.055 ( 0.450 4.596 -1.658) 4.907 6.092 ( 0.385 -0.203 0.517) 0.675 6.116 ( 1.307 1.179 -1.305) 2.191 6.253 ( -1.084 -1.638 -0.775) 2.111 6.264 ( 0.301 -1.958 0.677) 2.094 6.304 ( 1.074 -0.649 1.652) 2.074 6.327 ( 1.935 -2.765 -0.685) 3.444 6.359 ( -1.294 0.803 0.172) 1.532 6.381 ( 0.342 0.571 -0.892) 1.113 6.482 ( 0.191 -1.125 0.649) 1.313 6.486 ( -0.322 -1.392 -1.422) 2.016 6.714 ( -5.760 2.706 -1.334) 6.502 6.797 ( 5.067 0.092 3.034) 5.907 6.905 ( -2.834 0.092 -1.385) 3.155 6.941 ( 1.452 -0.528 0.161) 1.553 7.019 ( -1.421 -0.593 0.976) 1.822 7.065 ( 3.278 -1.211 0.557) 3.539 7.277 ( -1.681 0.503 1.245) 2.151 7.318 ( 1.495 -1.258 -1.112) 2.248 7.458 ( -0.416 2.280 1.046) 2.543 7.471 ( -0.082 1.824 -1.066) 2.114 7.656 ( -2.128 -0.500 1.592) 2.705 7.686 ( 0.506 -1.376 0.152) 1.474 8.395 ( -0.364 4.096 1.777) 4.479 8.421 ( 0.396 3.869 -1.797) 4.284 8.652 ( -1.527 -5.218 -0.424) 5.453 8.666 ( 0.774 -4.663 1.153) 4.865 8.783 ( -1.430 0.876 -1.708) 2.393 8.790 ( 0.392 1.540 0.373) 1.632 8.857 ( -0.156 -0.669 0.968) 1.187 8.888 ( 1.431 -2.247 -1.321) 2.973 8.911 ( -1.839 -1.078 0.031) 2.132 8.940 ( 1.499 -1.170 0.823) 2.072 9.010 ( -2.661 -0.061 -0.421) 2.695 9.044 ( 1.272 -0.816 0.827) 1.723 9.073 ( -0.992 1.326 -0.147) 1.663 9.089 ( 1.383 0.592 1.411) 2.062 9.161 ( -0.721 2.800 -2.078) 3.561 9.196 ( 3.506 0.606 -0.477) 3.590 9.561 ( -1.089 2.525 1.632) 3.197 9.596 ( 1.024 2.344 -1.761) 3.105 9.730 ( -1.317 -3.326 -0.215) 3.584 9.758 ( 1.651 -2.951 -0.297) 3.394 9.877 ( -1.411 0.331 2.288) 2.708 9.908 ( -1.341 -0.008 2.176) 2.556 9.921 ( 1.486 1.280 -1.597) 2.529 9.953 ( 1.318 0.599 -1.962) 2.438 ======================= Grid point 59 (34/39) ======================= q-point: (-0.20 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.410 ( -2.658 4.846 5.196) 7.586 0.501 ( -1.794 5.599 5.008) 7.723 0.611 ( -0.095 3.207 -1.386) 3.495 0.639 ( 0.130 -1.003 -2.799) 2.976 0.690 ( -0.441 -3.495 -0.561) 3.567 0.742 ( -1.043 2.320 -2.770) 3.761 0.757 ( -0.750 -1.136 0.122) 1.366 0.773 ( -0.870 -1.954 -0.162) 2.146 0.804 ( -0.363 -1.040 0.693) 1.301 0.834 ( -1.150 -1.005 0.858) 1.752 0.851 ( 0.933 -0.299 -1.082) 1.460 0.869 ( 1.925 -1.774 0.304) 2.635 0.889 ( -0.790 -1.711 -1.054) 2.159 0.914 ( -0.239 1.347 2.107) 2.512 0.930 ( -0.962 -0.243 2.371) 2.570 0.966 ( -1.732 2.868 4.648) 5.730 0.982 ( 0.140 1.148 0.862) 1.442 0.989 ( 1.272 -0.224 0.903) 1.576 1.009 ( 1.502 -0.566 -0.214) 1.619 1.031 ( -2.172 0.041 0.933) 2.364 1.041 ( -0.838 -0.560 0.466) 1.111 1.049 ( 0.761 -0.564 -1.436) 1.720 1.067 ( -0.125 0.836 1.128) 1.409 1.079 ( 1.147 0.184 -0.483) 1.258 1.103 ( 1.234 0.038 0.769) 1.455 1.116 ( 0.100 1.747 -0.243) 1.766 1.128 ( -0.448 0.246 0.555) 0.754 1.134 ( -0.750 0.801 0.097) 1.102 1.178 ( -0.675 -0.186 0.977) 1.202 1.191 ( -0.363 -0.607 -0.533) 0.886 1.198 ( -0.272 -0.793 1.079) 1.366 1.205 ( -0.452 0.815 0.437) 1.030 1.212 ( 0.394 -0.961 -0.988) 1.433 1.232 ( -0.166 -0.100 -1.175) 1.191 1.246 ( -0.067 -0.031 0.138) 0.157 1.256 ( -0.513 -0.311 1.001) 1.167 1.272 ( -0.448 0.275 1.193) 1.304 1.292 ( -0.997 -0.713 -0.600) 1.364 1.304 ( -0.039 0.141 0.882) 0.895 1.323 ( -0.576 0.372 0.929) 1.155 1.329 ( 1.392 0.057 0.804) 1.609 1.355 ( -1.043 0.379 -1.146) 1.596 1.399 ( 1.953 0.261 0.102) 1.973 1.404 ( 0.219 -0.189 -0.742) 0.797 1.424 ( -1.093 -0.756 -2.311) 2.666 1.445 ( -0.261 0.399 0.312) 0.569 1.459 ( 1.478 0.344 1.728) 2.300 1.469 ( 1.458 0.881 0.222) 1.718 1.502 ( -0.797 -0.738 0.335) 1.137 1.507 ( 0.277 0.354 -1.967) 2.018 1.545 ( 0.901 -1.761 0.769) 2.123 1.560 ( -0.027 -0.597 0.354) 0.694 1.579 ( -0.255 -1.802 -0.233) 1.835 1.632 ( -0.726 0.223 0.602) 0.969 1.640 ( 1.127 1.067 1.440) 2.117 1.669 ( -0.180 -0.093 -1.476) 1.490 1.704 ( -0.657 -0.205 1.238) 1.417 1.719 ( 0.018 0.426 -0.537) 0.686 1.757 ( -0.822 1.968 1.403) 2.553 1.783 ( -0.524 -1.575 1.816) 2.460 1.813 ( -1.141 1.446 -0.170) 1.850 1.815 ( 0.574 0.293 -0.267) 0.698 1.859 ( -1.643 -1.999 0.981) 2.767 1.887 ( 1.335 0.437 -1.322) 1.929 1.962 ( 0.608 -0.545 0.366) 0.896 2.007 ( 0.776 0.272 -0.914) 1.229 2.036 ( 1.976 -1.850 -1.306) 3.005 2.047 ( -2.954 -1.621 1.007) 3.516 2.073 ( -0.201 -0.845 -3.667) 3.768 2.092 ( 1.452 -0.611 0.240) 1.594 2.110 ( 1.637 0.039 -0.948) 1.892 2.159 ( 0.820 -0.996 -4.461) 4.643 2.213 ( -0.023 0.495 0.271) 0.565 2.238 ( -2.309 -0.103 -0.519) 2.369 2.256 ( -0.777 -0.383 0.221) 0.894 2.298 ( -0.176 -0.451 1.311) 1.397 2.369 ( -0.795 0.827 0.153) 1.157 2.404 ( -1.254 -0.057 0.491) 1.348 2.433 ( 0.616 0.272 0.155) 0.691 2.475 ( -1.053 -0.104 -0.767) 1.307 2.520 ( -0.227 0.117 -0.309) 0.401 2.527 ( 1.839 -0.422 -0.673) 2.004 2.576 ( 1.076 -0.476 0.402) 1.243 2.592 ( 1.284 -0.346 -0.990) 1.657 2.664 ( -0.500 1.206 1.102) 1.709 2.725 ( 0.162 0.679 -1.160) 1.353 2.743 ( 0.453 -1.159 2.464) 2.760 2.763 ( 1.072 -0.613 -0.529) 1.343 2.839 ( -0.186 1.064 -0.839) 1.368 2.880 ( -0.551 -0.018 -0.945) 1.095 2.922 ( 1.390 -1.756 1.296) 2.588 2.954 ( 1.220 -2.586 2.171) 3.590 3.116 ( 0.247 6.849 -0.001) 6.854 3.189 ( 0.005 6.079 0.448) 6.095 3.385 ( -0.198 -4.027 -2.178) 4.582 3.420 ( -0.376 -2.886 0.442) 2.944 3.617 ( -1.742 -0.588 1.203) 2.197 3.658 ( -0.032 -1.316 -0.452) 1.392 3.698 ( 0.140 -0.251 -0.187) 0.343 3.731 ( 0.725 -0.942 -0.584) 1.324 4.118 ( 0.349 3.156 -0.234) 3.184 4.140 ( 1.232 3.213 -0.805) 3.534 4.247 ( -0.409 -0.388 -1.862) 1.946 4.278 ( -1.109 -0.606 1.456) 1.928 4.648 ( -0.392 8.105 1.087) 8.186 4.698 ( 3.101 6.135 -3.895) 7.901 5.100 ( -0.785 -3.145 -0.122) 3.244 5.150 ( 0.118 -1.445 -0.407) 1.506 5.229 ( -1.291 -2.840 -0.517) 3.162 5.264 ( -0.284 -1.033 -1.635) 1.955 5.287 ( 0.181 -3.578 2.722) 4.500 5.362 ( 1.697 -4.609 -0.940) 5.001 5.428 ( -1.393 -1.273 1.646) 2.504 5.450 ( 0.076 -1.488 1.460) 2.086 5.487 ( 0.987 -0.694 -1.746) 2.122 5.513 ( 0.979 -1.688 -0.164) 1.958 5.676 ( -3.085 2.079 2.941) 4.742 5.686 ( -2.250 2.682 3.906) 5.245 5.819 ( -1.207 2.620 0.729) 2.975 5.938 ( 3.001 -1.397 -5.144) 6.117 6.012 ( -0.554 1.705 -0.353) 1.827 6.067 ( 1.359 3.850 0.144) 4.086 6.085 ( -0.690 -0.840 -1.885) 2.176 6.124 ( 0.063 1.980 -0.915) 2.183 6.243 ( 0.551 -1.708 0.491) 1.860 6.294 ( 1.269 -1.890 0.142) 2.281 6.322 ( 0.411 0.853 0.314) 0.998 6.357 ( 1.381 0.192 2.198) 2.603 6.369 ( 0.813 0.707 0.932) 1.424 6.405 ( -0.312 0.597 2.016) 2.126 6.450 ( -1.620 -0.423 -1.200) 2.060 6.482 ( 0.423 -1.853 -0.784) 2.056 6.646 ( -0.307 2.819 0.376) 2.861 6.817 ( -3.082 -2.626 -2.115) 4.568 6.893 ( 0.931 -1.941 1.052) 2.396 6.919 ( -2.163 -1.161 -0.323) 2.476 7.058 ( 3.025 1.799 2.090) 4.093 7.136 ( 3.707 -0.575 -0.263) 3.761 7.260 ( -1.631 0.603 1.681) 2.419 7.324 ( 0.440 -1.878 -1.837) 2.663 7.446 ( -1.003 2.013 -0.220) 2.260 7.461 ( -0.390 1.998 -0.256) 2.052 7.637 ( -1.581 -0.253 1.763) 2.382 7.684 ( -0.607 -1.625 -0.451) 1.792 8.400 ( -0.312 3.716 0.599) 3.777 8.410 ( 0.214 4.001 -1.202) 4.183 8.617 ( -1.055 -4.465 -0.317) 4.599 8.674 ( -1.368 -5.513 -0.031) 5.680 8.733 ( -1.653 1.463 -1.177) 2.501 8.776 ( -0.731 0.456 -2.057) 2.230 8.862 ( 0.564 0.258 0.438) 0.760 8.893 ( -0.761 -2.265 1.318) 2.728 8.913 ( 1.026 -1.895 -0.327) 2.179 8.941 ( -2.094 -0.370 -0.896) 2.307 8.986 ( 0.942 1.447 1.348) 2.191 9.053 ( -0.501 -0.497 -0.319) 0.774 9.094 ( -0.206 2.806 1.736) 3.306 9.099 ( 1.083 0.983 0.401) 1.516 9.196 ( 3.874 0.850 0.872) 4.061 9.256 ( 3.328 -0.230 -0.622) 3.393 9.558 ( -1.019 2.220 1.609) 2.925 9.593 ( 0.698 2.448 -1.760) 3.095 9.712 ( -0.271 -3.323 -0.063) 3.334 9.767 ( -0.182 -3.755 -1.112) 3.920 9.881 ( -0.681 0.172 2.390) 2.491 9.905 ( -1.420 0.067 1.938) 2.403 9.932 ( 1.618 1.353 -1.901) 2.839 9.956 ( 1.054 0.454 -1.862) 2.188 ======================= Grid point 60 (35/39) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 38 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.558 ( -0.180 -4.510 2.548) 5.183 0.558 ( -0.180 4.510 2.548) 5.183 0.626 ( 1.188 -1.854 -2.590) 3.400 0.626 ( 1.188 1.854 -2.590) 3.400 0.709 ( -1.965 -1.830 3.591) 4.484 0.709 ( -1.965 1.830 3.591) 4.484 0.760 ( 2.313 -0.802 -2.177) 3.276 0.760 ( 2.313 0.802 -2.177) 3.276 0.817 ( 0.012 -0.907 -0.212) 0.931 0.817 ( 0.012 0.907 -0.212) 0.931 0.866 ( -0.102 -0.273 0.705) 0.763 0.866 ( -0.102 0.273 0.705) 0.763 0.877 ( 0.061 -2.158 0.113) 2.162 0.877 ( 0.061 2.158 0.113) 2.162 0.928 ( -0.368 -0.982 1.114) 1.530 0.928 ( -0.368 0.982 1.114) 1.530 0.971 ( -1.294 -1.130 -1.117) 2.049 0.971 ( -1.294 1.130 -1.117) 2.049 0.998 ( 0.007 -0.486 -1.216) 1.309 0.998 ( 0.007 0.486 -1.216) 1.309 1.066 ( 0.179 -0.621 1.508) 1.640 1.066 ( 0.179 0.621 1.508) 1.640 1.093 ( -0.243 -0.241 -0.373) 0.506 1.093 ( -0.243 0.241 -0.373) 0.506 1.133 ( -1.040 -0.631 -0.312) 1.256 1.133 ( -1.040 0.631 -0.312) 1.256 1.149 ( 1.039 -1.147 0.205) 1.561 1.149 ( 1.039 1.147 0.205) 1.561 1.177 ( -0.232 -0.502 1.873) 1.953 1.177 ( -0.232 0.502 1.873) 1.953 1.199 ( 0.196 -0.477 -0.076) 0.521 1.199 ( 0.196 0.477 -0.076) 0.521 1.214 ( 0.248 -0.255 -0.718) 0.801 1.214 ( 0.248 0.255 -0.718) 0.801 1.239 ( -0.208 -0.655 -0.622) 0.927 1.239 ( -0.208 0.655 -0.622) 0.927 1.286 ( 0.119 -0.587 0.853) 1.042 1.286 ( 0.119 0.587 0.853) 1.042 1.319 ( -1.087 -0.662 0.453) 1.351 1.319 ( -1.087 0.662 0.453) 1.351 1.355 ( 0.657 -0.764 0.454) 1.105 1.355 ( 0.657 0.764 0.454) 1.105 1.402 ( -0.447 -0.437 -0.824) 1.034 1.402 ( -0.447 0.437 -0.824) 1.034 1.443 ( -0.391 -1.703 3.318) 3.750 1.443 ( -0.391 1.703 3.318) 3.750 1.487 ( 0.195 -0.305 -0.909) 0.978 1.487 ( 0.195 0.305 -0.909) 0.978 1.499 ( -0.249 -1.255 0.243) 1.302 1.499 ( -0.249 1.255 0.243) 1.302 1.541 ( 1.774 -0.761 -0.030) 1.930 1.541 ( 1.774 0.761 -0.030) 1.930 1.615 ( 0.573 -4.060 1.443) 4.347 1.615 ( 0.573 4.060 1.443) 4.347 1.673 ( -0.318 -0.655 0.041) 0.729 1.673 ( -0.318 0.655 0.041) 0.729 1.693 ( -0.007 -2.489 -1.483) 2.897 1.693 ( -0.007 2.489 -1.483) 2.897 1.780 ( -0.428 -0.783 2.097) 2.279 1.780 ( -0.428 0.783 2.097) 2.279 1.806 ( -0.432 -1.504 0.837) 1.775 1.806 ( -0.432 1.504 0.837) 1.775 1.857 ( -0.650 -1.784 -1.658) 2.521 1.857 ( -0.650 1.784 -1.658) 2.521 1.961 ( -1.592 -1.307 -0.240) 2.073 1.961 ( -1.592 1.307 -0.240) 2.073 2.009 ( 0.529 -0.940 -0.373) 1.141 2.009 ( 0.529 0.940 -0.373) 1.141 2.071 ( 0.111 -1.495 -1.327) 2.002 2.071 ( 0.111 1.495 -1.327) 2.002 2.126 ( 0.646 -1.373 -1.554) 2.172 2.126 ( 0.646 1.373 -1.554) 2.172 2.215 ( -0.239 -0.666 0.217) 0.740 2.215 ( -0.239 0.666 0.217) 0.740 2.284 ( 0.707 -0.924 0.472) 1.256 2.284 ( 0.707 0.924 0.472) 1.256 2.366 ( -0.358 -0.258 -0.557) 0.711 2.366 ( -0.358 0.258 -0.557) 0.711 2.457 ( -0.140 -0.327 0.286) 0.457 2.457 ( -0.140 0.327 0.286) 0.457 2.540 ( 0.949 -0.295 -0.441) 1.087 2.540 ( 0.949 0.295 -0.441) 1.087 2.601 ( 0.742 -0.305 -0.509) 0.950 2.601 ( 0.742 0.305 -0.509) 0.950 2.712 ( -0.610 -1.611 1.746) 2.452 2.712 ( -0.610 1.611 1.746) 2.452 2.760 ( 0.672 -1.105 -0.804) 1.523 2.760 ( 0.672 1.105 -0.804) 1.523 2.860 ( -0.282 -0.519 0.098) 0.599 2.860 ( -0.282 0.519 0.098) 0.599 2.933 ( 0.191 -0.603 0.246) 0.678 2.933 ( 0.191 0.603 0.246) 0.678 3.264 ( 0.278 -3.466 -0.583) 3.526 3.264 ( 0.278 3.466 -0.583) 3.526 3.303 ( -0.665 -3.173 -0.103) 3.244 3.303 ( -0.665 3.173 -0.103) 3.244 3.628 ( -0.198 -1.457 1.355) 1.999 3.628 ( -0.198 1.457 1.355) 1.999 3.702 ( 0.036 -0.949 -1.153) 1.494 3.702 ( 0.036 0.949 -1.153) 1.494 4.185 ( -0.168 -1.797 0.662) 1.923 4.185 ( -0.168 1.797 0.662) 1.923 4.235 ( 0.434 -2.201 -1.549) 2.726 4.235 ( 0.434 2.201 -1.549) 2.726 4.797 ( 0.844 -2.623 -1.297) 3.046 4.797 ( 0.844 2.623 -1.297) 3.046 5.016 ( 0.149 -1.929 -1.290) 2.325 5.016 ( 0.149 1.929 -1.290) 2.325 5.226 ( -0.959 -0.529 0.845) 1.383 5.226 ( -0.959 0.529 0.845) 1.383 5.323 ( 0.613 -1.737 0.113) 1.846 5.323 ( 0.613 1.737 0.113) 1.846 5.420 ( -1.352 -1.381 2.749) 3.360 5.420 ( -1.352 1.381 2.749) 3.360 5.484 ( 0.784 -1.328 -2.304) 2.772 5.484 ( 0.784 1.328 -2.304) 2.772 5.690 ( -4.021 -1.350 5.597) 7.023 5.690 ( -4.021 1.350 5.597) 7.023 5.896 ( 4.224 -3.039 -3.333) 6.180 5.896 ( 4.224 3.039 -3.333) 6.180 6.026 ( 0.132 -1.480 -2.910) 3.267 6.026 ( 0.132 1.480 -2.910) 3.267 6.140 ( 0.134 -0.610 -0.418) 0.751 6.140 ( 0.134 0.610 -0.418) 0.751 6.246 ( 0.043 -0.526 0.071) 0.533 6.246 ( 0.043 0.526 0.071) 0.533 6.387 ( -0.019 -0.881 0.836) 1.214 6.387 ( -0.019 0.881 0.836) 1.214 6.408 ( -0.800 -0.936 1.021) 1.600 6.408 ( -0.800 0.936 1.021) 1.600 6.446 ( 1.384 -1.796 -0.249) 2.282 6.446 ( 1.384 1.796 -0.249) 2.282 6.709 ( -0.303 -1.058 -0.110) 1.106 6.709 ( -0.303 1.058 -0.110) 1.106 6.879 ( -0.145 -0.454 0.346) 0.589 6.879 ( -0.145 0.454 0.346) 0.589 7.147 ( -0.431 -1.193 0.908) 1.560 7.147 ( -0.431 1.193 0.908) 1.560 7.269 ( -0.079 -1.009 -0.069) 1.015 7.269 ( -0.079 1.009 -0.069) 1.015 7.472 ( -0.041 -0.458 -0.148) 0.483 7.472 ( -0.041 0.458 -0.148) 0.483 7.639 ( -0.417 -0.814 0.494) 1.040 7.639 ( -0.417 0.814 0.494) 1.040 8.484 ( -0.366 -2.281 0.346) 2.336 8.484 ( -0.366 2.281 0.346) 2.336 8.533 ( 0.159 -2.590 -0.568) 2.657 8.533 ( 0.159 2.590 -0.568) 2.657 8.735 ( -0.641 -0.979 -0.709) 1.368 8.735 ( -0.641 0.979 -0.709) 1.368 8.875 ( 0.750 -0.764 0.305) 1.113 8.875 ( 0.750 0.764 0.305) 1.113 8.928 ( 0.193 -0.462 -0.033) 0.501 8.928 ( 0.193 0.462 -0.033) 0.501 9.015 ( -0.593 -0.498 0.226) 0.807 9.015 ( -0.593 0.498 0.226) 0.807 9.153 ( -0.016 -1.217 1.734) 2.119 9.153 ( -0.016 1.217 1.734) 2.119 9.254 ( 1.156 -1.245 -1.544) 2.295 9.254 ( 1.156 1.245 -1.544) 2.295 9.631 ( 0.003 -3.828 0.816) 3.914 9.631 ( 0.003 3.828 0.816) 3.914 9.658 ( 0.039 -3.562 -1.497) 3.864 9.658 ( 0.039 3.562 -1.497) 3.864 9.898 ( -1.368 -0.257 2.559) 2.913 9.898 ( -1.368 0.257 2.559) 2.913 9.951 ( 0.984 -0.385 -2.233) 2.470 9.951 ( 0.984 0.385 -2.233) 2.470 ======================= Grid point 62 (36/39) ======================= q-point: ( 0.20 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 38 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.584 ( 0.169 -0.723 -1.370) 1.558 0.584 ( 0.169 0.723 -1.370) 1.558 0.589 ( -0.774 -4.773 -0.242) 4.841 0.589 ( -0.774 4.773 -0.242) 4.841 0.705 ( -1.185 -0.593 1.132) 1.743 0.705 ( -1.185 0.593 1.132) 1.743 0.775 ( 1.877 -0.558 -1.905) 2.732 0.775 ( 1.877 0.558 -1.905) 2.732 0.807 ( -0.405 -1.118 0.713) 1.386 0.807 ( -0.405 1.118 0.713) 1.386 0.856 ( -0.783 -0.859 -0.925) 1.486 0.856 ( -0.783 0.859 -0.925) 1.486 0.908 ( 1.890 -2.559 -0.087) 3.182 0.908 ( 1.890 2.559 -0.087) 3.182 0.956 ( 0.450 -1.222 -0.330) 1.343 0.956 ( 0.450 1.222 -0.330) 1.343 0.964 ( 0.369 -1.219 2.860) 3.131 0.964 ( 0.369 1.219 2.860) 3.131 1.017 ( 2.033 -0.259 1.248) 2.400 1.017 ( 2.033 0.259 1.248) 2.400 1.042 ( -3.095 -1.282 0.012) 3.350 1.042 ( -3.095 1.282 0.012) 3.350 1.080 ( -0.543 -0.607 -0.096) 0.820 1.080 ( -0.543 0.607 -0.096) 0.820 1.112 ( -0.949 -1.896 0.097) 2.123 1.112 ( -0.949 1.896 0.097) 2.123 1.154 ( -0.046 -1.690 -1.085) 2.009 1.154 ( -0.046 1.690 -1.085) 2.009 1.176 ( -0.532 -0.566 0.268) 0.822 1.176 ( -0.532 0.566 0.268) 0.822 1.197 ( 0.432 -0.669 0.697) 1.059 1.197 ( 0.432 0.669 0.697) 1.059 1.223 ( 1.215 -0.315 -1.605) 2.037 1.223 ( 1.215 0.315 -1.605) 2.037 1.252 ( 0.325 -0.978 0.919) 1.381 1.252 ( 0.325 0.978 0.919) 1.381 1.292 ( -0.357 -0.672 0.057) 0.763 1.292 ( -0.357 0.672 0.057) 0.763 1.320 ( -0.114 -1.306 0.062) 1.313 1.320 ( -0.114 1.306 0.062) 1.313 1.342 ( -0.719 -1.214 1.195) 1.849 1.342 ( -0.719 1.214 1.195) 1.849 1.401 ( 0.356 -1.031 -0.410) 1.165 1.401 ( 0.356 1.031 -0.410) 1.165 1.458 ( -1.642 -0.937 1.120) 2.197 1.458 ( -1.642 0.937 1.120) 2.197 1.468 ( 0.196 -1.253 -0.626) 1.414 1.468 ( 0.196 1.253 -0.626) 1.414 1.514 ( -0.703 -1.630 0.411) 1.823 1.514 ( -0.703 1.630 0.411) 1.823 1.542 ( 1.335 -0.247 -2.242) 2.621 1.542 ( 1.335 0.247 -2.242) 2.621 1.634 ( 0.319 -3.455 -2.462) 4.255 1.634 ( 0.319 3.455 -2.462) 4.255 1.665 ( 0.436 -3.564 3.015) 4.688 1.665 ( 0.436 3.564 3.015) 4.688 1.684 ( 0.020 -2.088 -1.404) 2.516 1.684 ( 0.020 2.088 -1.404) 2.516 1.791 ( 0.050 -0.716 -0.340) 0.794 1.791 ( 0.050 0.716 -0.340) 0.794 1.814 ( -0.652 -1.160 2.942) 3.229 1.814 ( -0.652 1.160 2.942) 3.229 1.838 ( -0.267 -2.038 -0.103) 2.058 1.838 ( -0.267 2.038 -0.103) 2.058 1.951 ( -0.549 -1.448 2.476) 2.920 1.951 ( -0.549 1.448 2.476) 2.920 2.009 ( -0.780 -1.135 -0.122) 1.383 2.009 ( -0.780 1.135 -0.122) 1.383 2.054 ( -0.351 -1.035 -0.286) 1.129 2.054 ( -0.351 1.035 -0.286) 1.129 2.115 ( 0.197 -0.887 -1.112) 1.436 2.115 ( 0.197 0.887 -1.112) 1.436 2.229 ( 1.232 -0.847 -0.191) 1.507 2.229 ( 1.232 0.847 -0.191) 1.507 2.296 ( 0.525 -0.807 -0.707) 1.195 2.296 ( 0.525 0.807 -0.707) 1.195 2.383 ( 1.834 -1.036 0.357) 2.136 2.383 ( 1.834 1.036 0.357) 2.136 2.459 ( 0.139 -0.462 0.264) 0.550 2.459 ( 0.139 0.462 0.264) 0.550 2.535 ( -0.287 -1.135 -1.638) 2.014 2.535 ( -0.287 1.135 -1.638) 2.014 2.589 ( -0.687 -0.230 -1.291) 1.481 2.589 ( -0.687 0.230 -1.291) 1.481 2.715 ( -0.677 -0.665 1.233) 1.556 2.715 ( -0.677 0.665 1.233) 1.556 2.753 ( -0.212 -1.577 -1.569) 2.235 2.753 ( -0.212 1.577 -1.569) 2.235 2.858 ( -0.460 -1.528 0.773) 1.773 2.858 ( -0.460 1.528 0.773) 1.773 2.927 ( -0.550 -2.076 -0.528) 2.212 2.927 ( -0.550 2.076 -0.528) 2.212 3.248 ( -0.713 -5.487 0.329) 5.543 3.248 ( -0.713 5.487 0.329) 5.543 3.318 ( 1.019 -5.148 0.486) 5.270 3.318 ( 1.019 5.148 0.486) 5.270 3.639 ( 0.311 -0.739 0.515) 0.953 3.639 ( 0.311 0.739 0.515) 0.953 3.693 ( -0.170 -0.216 -0.190) 0.334 3.693 ( -0.170 0.216 -0.190) 0.334 4.173 ( -1.027 -2.123 0.166) 2.364 4.173 ( -1.027 2.123 0.166) 2.364 4.243 ( 1.166 -3.794 -0.541) 4.006 4.243 ( 1.166 3.794 -0.541) 4.006 4.798 ( 0.756 -2.895 -1.396) 3.302 4.798 ( 0.756 2.895 -1.396) 3.302 5.018 ( 0.910 -2.744 -0.262) 2.902 5.018 ( 0.910 2.744 -0.262) 2.902 5.220 ( -1.045 -0.790 1.564) 2.040 5.220 ( -1.045 0.790 1.564) 2.040 5.316 ( -0.907 -0.962 -0.868) 1.582 5.316 ( -0.907 0.962 -0.868) 1.582 5.425 ( -1.264 -0.991 2.813) 3.239 5.425 ( -1.264 0.991 2.813) 3.239 5.472 ( 0.466 -1.760 -1.788) 2.552 5.472 ( 0.466 1.760 -1.788) 2.552 5.687 ( -2.659 -1.805 5.938) 6.752 5.687 ( -2.659 1.805 5.938) 6.752 5.928 ( 4.251 -0.944 -7.218) 8.430 5.928 ( 4.251 0.944 -7.218) 8.430 6.022 ( 1.233 -0.426 1.044) 1.671 6.022 ( 1.233 0.426 1.044) 1.671 6.141 ( 0.365 -1.817 -0.128) 1.858 6.141 ( 0.365 1.817 -0.128) 1.858 6.241 ( -0.643 -1.257 -0.414) 1.471 6.241 ( -0.643 1.257 -0.414) 1.471 6.369 ( -2.179 -1.025 -0.122) 2.411 6.369 ( -2.179 1.025 -0.122) 2.411 6.418 ( 0.465 -1.473 0.690) 1.692 6.418 ( 0.465 1.473 0.690) 1.692 6.454 ( 0.671 -0.459 -2.023) 2.180 6.454 ( 0.671 0.459 -2.023) 2.180 6.712 ( 0.741 -3.501 0.901) 3.691 6.712 ( 0.741 3.501 0.901) 3.691 6.895 ( 1.337 -0.907 0.087) 1.618 6.895 ( 1.337 0.907 0.087) 1.618 7.109 ( -3.879 -0.885 0.607) 4.025 7.109 ( -3.879 0.885 0.607) 4.025 7.281 ( 0.834 -0.338 0.146) 0.911 7.281 ( 0.834 0.338 0.146) 0.911 7.476 ( 0.474 -0.291 0.134) 0.572 7.476 ( 0.474 0.291 0.134) 0.572 7.645 ( 0.256 -0.090 0.759) 0.806 7.645 ( 0.256 0.090 0.759) 0.806 8.478 ( -0.501 -4.170 0.643) 4.249 8.478 ( -0.501 4.170 0.643) 4.249 8.545 ( 1.104 -4.859 -0.099) 4.984 8.545 ( 1.104 4.859 -0.099) 4.984 8.742 ( 1.247 -0.699 0.819) 1.647 8.742 ( 1.247 0.699 0.819) 1.647 8.883 ( 0.520 -0.678 -1.047) 1.351 8.883 ( 0.520 0.678 -1.047) 1.351 8.924 ( -0.373 -0.993 -0.349) 1.117 8.924 ( -0.373 0.993 -0.349) 1.117 9.017 ( 0.270 -1.099 0.912) 1.453 9.017 ( 0.270 1.099 0.912) 1.453 9.142 ( -2.071 -2.563 -0.289) 3.308 9.142 ( -2.071 2.563 -0.289) 3.308 9.236 ( -0.753 -1.875 -1.709) 2.646 9.236 ( -0.753 1.875 -1.709) 2.646 9.639 ( 0.435 -4.002 -0.019) 4.026 9.639 ( 0.435 4.002 -0.019) 4.026 9.654 ( 0.417 -3.575 -0.109) 3.600 9.654 ( 0.417 3.575 -0.109) 3.600 9.899 ( -1.509 -0.509 2.663) 3.103 9.899 ( -1.509 0.509 2.663) 3.103 9.946 ( 0.910 -0.728 -1.971) 2.289 9.946 ( 0.910 0.728 -1.971) 2.289 ======================= Grid point 64 (37/39) ======================= q-point: ( 0.40 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 38 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.530 ( -1.624 -2.045 -1.368) 2.949 0.530 ( -1.624 2.045 -1.368) 2.949 0.609 ( 1.145 -3.782 -1.283) 4.155 0.609 ( 1.145 3.782 -1.283) 4.155 0.713 ( -0.535 -1.276 2.755) 3.083 0.713 ( -0.535 1.276 2.755) 3.083 0.793 ( 1.147 -1.287 -0.578) 1.818 0.793 ( 1.147 1.287 -0.578) 1.818 0.802 ( 0.242 -1.505 -0.532) 1.615 0.802 ( 0.242 1.505 -0.532) 1.615 0.846 ( 0.896 -0.960 -0.627) 1.455 0.846 ( 0.896 0.960 -0.627) 1.455 0.901 ( -2.669 -1.681 0.412) 3.181 0.901 ( -2.669 1.681 0.412) 3.181 0.945 ( -1.373 -0.512 -0.054) 1.467 0.945 ( -1.373 0.512 -0.054) 1.467 0.985 ( -0.724 -0.387 0.496) 0.959 0.985 ( -0.724 0.387 0.496) 0.959 1.027 ( 1.373 -0.616 0.962) 1.786 1.027 ( 1.373 0.616 0.962) 1.786 1.047 ( -0.366 -0.909 -1.564) 1.845 1.047 ( -0.366 0.909 -1.564) 1.845 1.067 ( 1.471 -1.106 -0.467) 1.899 1.067 ( 1.471 1.106 -0.467) 1.899 1.117 ( 0.223 -1.069 1.588) 1.927 1.117 ( 0.223 1.069 1.588) 1.927 1.138 ( -0.948 -1.537 -0.035) 1.806 1.138 ( -0.948 1.537 -0.035) 1.806 1.182 ( 0.984 -1.198 -0.395) 1.600 1.182 ( 0.984 1.198 -0.395) 1.600 1.213 ( 0.372 -0.902 -0.447) 1.073 1.213 ( 0.372 0.902 -0.447) 1.073 1.225 ( 0.292 -0.997 0.174) 1.054 1.225 ( 0.292 0.997 0.174) 1.054 1.249 ( -0.682 -0.601 0.263) 0.947 1.249 ( -0.682 0.601 0.263) 0.947 1.274 ( -1.185 -0.593 -0.315) 1.362 1.274 ( -1.185 0.593 -0.315) 1.362 1.323 ( 0.156 -0.873 0.864) 1.238 1.323 ( 0.156 0.873 0.864) 1.238 1.355 ( -0.500 -0.768 1.473) 1.734 1.355 ( -0.500 0.768 1.473) 1.734 1.395 ( -0.211 -0.830 -0.898) 1.241 1.395 ( -0.211 0.830 -0.898) 1.241 1.424 ( -1.026 -0.524 -0.236) 1.176 1.424 ( -1.026 0.524 -0.236) 1.176 1.465 ( -0.518 -0.559 -0.573) 0.954 1.465 ( -0.518 0.559 -0.573) 0.954 1.512 ( 0.050 -0.538 1.265) 1.376 1.512 ( 0.050 0.538 1.265) 1.376 1.540 ( 0.402 -0.608 -2.247) 2.363 1.540 ( 0.402 0.608 -2.247) 2.363 1.622 ( 0.048 -1.931 -0.973) 2.163 1.622 ( 0.048 1.931 -0.973) 2.163 1.667 ( 0.713 -1.568 -1.683) 2.408 1.667 ( 0.713 1.568 -1.683) 2.408 1.710 ( 0.812 -0.475 1.982) 2.194 1.710 ( 0.812 0.475 1.982) 2.194 1.775 ( -0.532 -1.485 -1.283) 2.033 1.775 ( -0.532 1.485 -1.283) 2.033 1.827 ( -1.167 -1.185 2.434) 2.948 1.827 ( -1.167 1.185 2.434) 2.948 1.843 ( 0.287 -2.014 0.334) 2.062 1.843 ( 0.287 2.014 0.334) 2.062 1.966 ( -0.482 -0.289 1.286) 1.404 1.966 ( -0.482 0.289 1.286) 1.404 2.008 ( -0.451 -1.375 3.479) 3.768 2.008 ( -0.451 1.375 3.479) 3.768 2.058 ( 0.464 -0.381 0.136) 0.616 2.058 ( 0.464 0.381 0.136) 0.616 2.121 ( 1.760 -0.013 -1.532) 2.334 2.121 ( 1.760 0.013 -1.532) 2.334 2.238 ( 0.590 -0.266 -1.116) 1.290 2.238 ( 0.590 0.266 -1.116) 1.290 2.293 ( -0.042 -0.717 -0.476) 0.862 2.293 ( -0.042 0.717 -0.476) 0.862 2.409 ( 0.458 -1.200 0.191) 1.299 2.409 ( 0.458 1.200 0.191) 1.299 2.457 ( -0.677 -2.047 -1.303) 2.519 2.457 ( -0.677 2.047 -1.303) 2.519 2.522 ( 1.037 -0.260 -0.245) 1.097 2.522 ( 1.037 0.260 -0.245) 1.097 2.565 ( -0.316 -0.723 -1.278) 1.502 2.565 ( -0.316 0.723 -1.278) 1.502 2.712 ( -1.120 -0.927 0.183) 1.465 2.712 ( -1.120 0.927 0.183) 1.465 2.723 ( -0.403 -1.755 -1.238) 2.185 2.723 ( -0.403 1.755 -1.238) 2.185 2.862 ( -0.145 -1.556 1.042) 1.878 2.862 ( -0.145 1.556 1.042) 1.878 2.911 ( -0.322 -1.841 -0.851) 2.054 2.911 ( -0.322 1.841 -0.851) 2.054 3.263 ( 0.966 -6.466 1.604) 6.731 3.263 ( 0.966 6.466 1.604) 6.731 3.326 ( -0.322 -6.034 -0.419) 6.057 3.326 ( -0.322 6.034 -0.419) 6.057 3.650 ( -0.028 -0.623 0.659) 0.908 3.650 ( -0.028 0.623 0.659) 0.908 3.691 ( 0.172 -0.172 -0.088) 0.258 3.691 ( 0.172 0.172 -0.088) 0.258 4.165 ( -0.164 -1.440 0.207) 1.464 4.165 ( -0.164 1.440 0.207) 1.464 4.255 ( 0.700 -3.243 -0.352) 3.336 4.255 ( 0.700 3.243 -0.352) 3.336 4.796 ( 0.708 -2.603 -1.371) 3.026 4.796 ( 0.708 2.603 -1.371) 3.026 5.036 ( 0.963 -2.713 -0.018) 2.879 5.036 ( 0.963 2.713 -0.018) 2.879 5.220 ( -0.987 -1.049 2.183) 2.615 5.220 ( -0.987 1.049 2.183) 2.615 5.284 ( -0.771 -0.614 -1.493) 1.789 5.284 ( -0.771 0.614 -1.493) 1.789 5.430 ( -1.510 -0.910 2.808) 3.315 5.430 ( -1.510 0.910 2.808) 3.315 5.471 ( 1.238 -0.697 -1.490) 2.059 5.471 ( 1.238 0.697 -1.490) 2.059 5.707 ( -2.320 -0.448 5.750) 6.216 5.707 ( -2.320 0.448 5.750) 6.216 5.925 ( 3.646 -1.050 -6.030) 7.125 5.925 ( 3.646 1.050 -6.030) 7.125 6.066 ( 1.686 -1.841 1.207) 2.773 6.066 ( 1.686 1.841 1.207) 2.773 6.150 ( 0.058 -2.216 0.130) 2.221 6.150 ( 0.058 2.216 0.130) 2.221 6.211 ( -0.980 -1.084 -1.270) 1.936 6.211 ( -0.980 1.084 -1.270) 1.936 6.314 ( -2.380 -1.057 -1.333) 2.926 6.314 ( -2.380 1.057 -1.333) 2.926 6.411 ( -0.514 -0.964 -2.177) 2.436 6.411 ( -0.514 0.964 -2.177) 2.436 6.455 ( 0.666 -1.161 0.389) 1.394 6.455 ( 0.666 1.161 0.389) 1.394 6.756 ( 1.824 -3.870 1.642) 4.583 6.756 ( 1.824 3.870 1.642) 4.583 6.918 ( 0.980 -1.244 0.080) 1.586 6.918 ( 0.980 1.244 0.080) 1.586 7.043 ( -3.181 -1.189 0.060) 3.396 7.043 ( -3.181 1.189 0.060) 3.396 7.292 ( 0.232 -0.328 0.094) 0.412 7.292 ( 0.232 0.328 0.094) 0.412 7.488 ( 0.362 -0.541 0.387) 0.757 7.488 ( 0.362 0.541 0.387) 0.757 7.656 ( -0.038 -0.046 0.814) 0.817 7.656 ( -0.038 0.046 0.814) 0.817 8.484 ( 0.032 -3.889 1.043) 4.026 8.484 ( 0.032 3.889 1.043) 4.026 8.559 ( 0.367 -4.332 0.115) 4.349 8.559 ( 0.367 4.332 0.115) 4.349 8.788 ( 2.179 -1.073 1.410) 2.809 8.788 ( 2.179 1.073 1.410) 2.809 8.869 ( -0.618 -2.277 -1.742) 2.933 8.869 ( -0.618 2.277 -1.742) 2.933 8.913 ( -0.321 -1.307 -0.256) 1.371 8.913 ( -0.321 1.307 -0.256) 1.371 9.032 ( 0.321 -1.270 -0.307) 1.345 9.032 ( 0.321 1.270 -0.307) 1.345 9.094 ( -2.117 -2.047 0.411) 2.974 9.094 ( -2.117 2.047 0.411) 2.974 9.206 ( -0.291 -1.653 -1.987) 2.601 9.206 ( -0.291 1.653 -1.987) 2.601 9.646 ( 0.117 -3.102 -0.164) 3.108 9.646 ( 0.117 3.102 -0.164) 3.108 9.663 ( 0.676 -2.082 0.033) 2.189 9.663 ( 0.676 2.082 0.033) 2.189 9.898 ( -1.631 -0.872 2.756) 3.319 9.898 ( -1.631 0.872 2.756) 3.319 9.944 ( 1.145 -1.058 -1.935) 2.485 9.944 ( 1.145 1.058 -1.935) 2.485 ======================= Grid point 66 (38/39) ======================= q-point: (-0.40 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 38 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.501 ( -1.733 -3.470 1.979) 4.354 0.501 ( -1.733 3.470 1.979) 4.354 0.613 ( 1.355 -1.737 -1.884) 2.899 0.613 ( 1.355 1.737 -1.884) 2.899 0.714 ( -2.531 -3.120 3.015) 5.023 0.714 ( -2.531 3.120 3.015) 5.023 0.790 ( -0.686 -1.752 -0.442) 1.932 0.790 ( -0.686 1.752 -0.442) 1.932 0.813 ( 0.567 -0.487 -1.099) 1.329 0.813 ( 0.567 0.487 -1.099) 1.329 0.852 ( 0.067 -0.878 -1.547) 1.780 0.852 ( 0.067 0.878 -1.547) 1.780 0.886 ( 0.786 -2.994 1.654) 3.509 0.886 ( 0.786 2.994 1.654) 3.509 0.930 ( 0.800 -0.906 0.710) 1.402 0.930 ( 0.800 0.906 0.710) 1.402 0.983 ( -0.292 -0.245 1.887) 1.925 0.983 ( -0.292 0.245 1.887) 1.925 1.025 ( 0.977 -0.171 -2.244) 2.453 1.025 ( 0.977 0.171 -2.244) 2.453 1.058 ( -0.688 -0.843 -0.543) 1.216 1.058 ( -0.688 0.843 -0.543) 1.216 1.062 ( -1.169 -0.656 -0.643) 1.487 1.062 ( -1.169 0.656 -0.643) 1.487 1.121 ( 1.728 -2.394 0.490) 2.993 1.121 ( 1.728 2.394 0.490) 2.993 1.157 ( -0.393 -1.836 1.748) 2.565 1.157 ( -0.393 1.836 1.748) 2.565 1.176 ( -0.162 -2.108 -1.818) 2.789 1.176 ( -0.162 2.108 -1.818) 2.789 1.205 ( -0.982 -1.657 0.254) 1.943 1.205 ( -0.982 1.657 0.254) 1.943 1.232 ( 0.262 -1.017 -0.061) 1.052 1.232 ( 0.262 1.017 -0.061) 1.052 1.249 ( -0.016 -0.156 0.001) 0.157 1.249 ( -0.016 0.156 0.001) 0.157 1.265 ( 1.147 -0.525 0.304) 1.298 1.265 ( 1.147 0.525 0.304) 1.298 1.326 ( -0.991 -1.729 0.604) 2.082 1.326 ( -0.991 1.729 0.604) 2.082 1.345 ( -2.847 -2.208 3.087) 4.744 1.345 ( -2.847 2.208 3.087) 4.744 1.394 ( 0.965 -0.578 -0.469) 1.219 1.394 ( 0.965 0.578 -0.469) 1.219 1.423 ( 0.854 -0.557 -0.648) 1.209 1.423 ( 0.854 0.557 -0.648) 1.209 1.451 ( -0.416 -0.176 0.250) 0.516 1.451 ( -0.416 0.176 0.250) 0.516 1.509 ( -0.640 -0.635 0.333) 0.961 1.509 ( -0.640 0.635 0.333) 0.961 1.542 ( 1.318 -0.597 -1.164) 1.857 1.542 ( 1.318 0.597 -1.164) 1.857 1.606 ( -0.971 -0.941 -0.085) 1.355 1.606 ( -0.971 0.941 -0.085) 1.355 1.658 ( -0.725 -0.566 -0.520) 1.056 1.658 ( -0.725 0.566 -0.520) 1.056 1.741 ( 1.361 -2.116 0.174) 2.522 1.741 ( 1.361 2.116 0.174) 2.522 1.751 ( -1.253 -1.223 -0.022) 1.752 1.751 ( -1.253 1.223 -0.022) 1.752 1.814 ( -2.053 -1.280 1.820) 3.028 1.814 ( -2.053 1.280 1.820) 3.028 1.868 ( 1.894 -1.635 -0.201) 2.510 1.868 ( 1.894 1.635 -0.201) 2.510 1.979 ( 0.468 -1.581 0.499) 1.722 1.979 ( 0.468 1.581 0.499) 1.722 2.021 ( -0.626 -1.303 0.970) 1.741 2.021 ( -0.626 1.303 0.970) 1.741 2.073 ( 0.150 -1.444 0.932) 1.725 2.073 ( 0.150 1.444 0.932) 1.725 2.134 ( 2.281 -1.608 -3.511) 4.486 2.134 ( 2.281 1.608 -3.511) 4.486 2.234 ( 0.036 -0.847 -0.960) 1.281 2.234 ( 0.036 0.847 -0.960) 1.281 2.285 ( -0.656 -0.342 0.167) 0.759 2.285 ( -0.656 0.342 0.167) 0.759 2.411 ( -1.048 -1.467 0.668) 1.922 2.411 ( -1.048 1.467 0.668) 1.922 2.433 ( 0.303 -1.585 -0.080) 1.615 2.433 ( 0.303 1.585 -0.080) 1.615 2.536 ( 0.014 -0.548 -0.958) 1.104 2.536 ( 0.014 0.548 -0.958) 1.104 2.559 ( 1.219 -1.122 -0.895) 1.883 2.559 ( 1.219 1.122 -0.895) 1.883 2.687 ( -0.996 -0.869 1.099) 1.719 2.687 ( -0.996 0.869 1.099) 1.719 2.730 ( 1.295 -0.779 -0.506) 1.594 2.730 ( 1.295 0.779 -0.506) 1.594 2.868 ( -0.067 -0.307 0.310) 0.441 2.868 ( -0.067 0.307 0.310) 0.441 2.903 ( 0.185 -0.164 -0.103) 0.268 2.903 ( 0.185 0.164 -0.103) 0.268 3.287 ( -0.334 -3.218 -0.285) 3.247 3.287 ( -0.334 3.218 -0.285) 3.247 3.314 ( 0.286 -3.102 0.243) 3.125 3.314 ( 0.286 3.102 0.243) 3.125 3.643 ( -1.584 -0.967 1.065) 2.139 3.643 ( -1.584 0.967 1.065) 2.139 3.701 ( 1.222 -0.724 -0.752) 1.607 3.701 ( 1.222 0.724 -0.752) 1.607 4.167 ( 0.155 -0.398 0.031) 0.429 4.167 ( 0.155 0.398 0.031) 0.429 4.259 ( 0.303 -0.764 -0.731) 1.100 4.259 ( 0.303 0.764 -0.731) 1.100 4.796 ( 0.755 -2.060 -1.345) 2.574 4.796 ( 0.755 2.060 -1.345) 2.574 5.046 ( 0.511 -1.858 -0.928) 2.138 5.046 ( 0.511 1.858 -0.928) 2.138 5.231 ( -0.602 -0.692 2.347) 2.520 5.231 ( -0.602 0.692 2.347) 2.520 5.269 ( 0.848 -0.873 -1.183) 1.697 5.269 ( 0.848 0.873 -1.183) 1.697 5.426 ( -1.925 -0.574 2.540) 3.239 5.426 ( -1.925 0.574 2.540) 3.239 5.481 ( 1.590 -0.237 -1.730) 2.361 5.481 ( 1.590 0.237 -1.730) 2.361 5.713 ( -3.224 -0.230 5.330) 6.234 5.713 ( -3.224 0.230 5.330) 6.234 5.922 ( 2.006 -1.099 -5.819) 6.253 5.922 ( 2.006 1.099 -5.819) 6.253 6.078 ( -1.557 -1.270 0.231) 2.022 6.078 ( -1.557 1.270 0.231) 2.022 6.150 ( 0.370 -3.955 0.061) 3.972 6.150 ( 0.370 3.955 0.061) 3.972 6.204 ( 1.324 -3.518 -0.586) 3.804 6.204 ( 1.324 3.518 -0.586) 3.804 6.295 ( 1.231 -0.347 0.413) 1.344 6.295 ( 1.231 0.347 0.413) 1.344 6.386 ( -0.286 -0.803 -0.215) 0.879 6.386 ( -0.286 0.803 -0.215) 0.879 6.464 ( -0.108 -0.043 -0.147) 0.187 6.464 ( -0.108 0.043 -0.147) 0.187 6.771 ( -1.638 -2.313 0.187) 2.841 6.771 ( -1.638 2.313 0.187) 2.841 6.920 ( -0.988 -1.190 -0.109) 1.551 6.920 ( -0.988 1.190 -0.109) 1.551 7.032 ( 1.966 -1.492 1.036) 2.677 7.032 ( 1.966 1.492 1.036) 2.677 7.294 ( 0.000 -1.016 -0.125) 1.024 7.294 ( 0.000 1.016 -0.125) 1.024 7.491 ( -0.306 -0.432 0.076) 0.535 7.491 ( -0.306 0.432 0.076) 0.535 7.657 ( -0.746 -0.921 0.758) 1.407 7.657 ( -0.746 0.921 0.758) 1.407 8.491 ( -0.356 -2.236 0.454) 2.309 8.491 ( -0.356 2.236 0.454) 2.309 8.561 ( -0.209 -2.090 0.034) 2.100 8.561 ( -0.209 2.090 0.034) 2.100 8.826 ( -1.311 -1.767 -2.119) 3.055 8.826 ( -1.311 1.767 -2.119) 3.055 8.834 ( 0.594 -1.051 1.405) 1.853 8.834 ( 0.594 1.051 1.405) 1.853 8.912 ( 0.511 -0.987 -0.259) 1.141 8.912 ( 0.511 0.987 -0.259) 1.141 9.022 ( -0.315 -0.990 0.077) 1.041 9.022 ( -0.315 0.990 0.077) 1.041 9.094 ( 0.326 -0.437 1.475) 1.573 9.094 ( 0.326 0.437 1.475) 1.573 9.194 ( 1.350 -0.669 -1.529) 2.146 9.194 ( 1.350 0.669 -1.529) 2.146 9.638 ( -0.925 -3.826 0.413) 3.958 9.638 ( -0.925 3.826 0.413) 3.958 9.676 ( 1.094 -3.707 -1.059) 4.007 9.676 ( 1.094 3.707 -1.059) 4.007 9.897 ( -1.601 -1.027 2.643) 3.256 9.897 ( -1.601 1.027 2.643) 3.256 9.948 ( 1.543 -0.942 -2.032) 2.720 9.948 ( 1.543 0.942 -2.032) 2.720 ======================= Grid point 68 (39/39) ======================= q-point: (-0.20 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 38 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.520 ( 0.373 -4.019 3.759) 5.515 0.520 ( 0.373 4.019 3.759) 5.515 0.620 ( 1.293 -1.434 -1.617) 2.519 0.620 ( 1.293 1.434 -1.617) 2.519 0.706 ( -2.206 -3.645 4.018) 5.857 0.706 ( -2.206 3.645 4.018) 5.857 0.759 ( 0.218 -1.254 -2.737) 3.018 0.759 ( 0.218 1.254 -2.737) 3.018 0.816 ( 0.361 -0.289 -0.492) 0.675 0.816 ( 0.361 0.289 -0.492) 0.675 0.838 ( 0.550 -0.339 0.108) 0.655 0.838 ( 0.550 0.339 0.108) 0.655 0.910 ( -1.214 -2.710 -0.173) 2.975 0.910 ( -1.214 2.710 -0.173) 2.975 0.941 ( -1.075 -0.855 0.995) 1.696 0.941 ( -1.075 0.855 0.995) 1.696 1.007 ( -0.275 -0.729 0.583) 0.974 1.007 ( -0.275 0.729 0.583) 0.974 1.023 ( -1.155 -1.100 -0.254) 1.615 1.023 ( -1.155 1.100 -0.254) 1.615 1.043 ( 1.715 -0.755 -0.578) 1.961 1.043 ( 1.715 0.755 -0.578) 1.961 1.058 ( 1.339 -1.132 0.757) 1.911 1.058 ( 1.339 1.132 0.757) 1.911 1.132 ( -0.056 -0.567 -1.119) 1.256 1.132 ( -0.056 0.567 -1.119) 1.256 1.156 ( -0.058 -2.442 0.580) 2.510 1.156 ( -0.058 2.442 0.580) 2.510 1.161 ( 0.126 -1.536 -0.527) 1.629 1.161 ( 0.126 1.536 -0.527) 1.629 1.195 ( -0.651 -0.881 0.524) 1.214 1.195 ( -0.651 0.881 0.524) 1.214 1.227 ( -0.376 -1.054 -0.674) 1.307 1.227 ( -0.376 1.054 -0.674) 1.307 1.248 ( -0.314 -0.151 0.694) 0.776 1.248 ( -0.314 0.151 0.694) 0.776 1.294 ( -0.987 -0.736 0.494) 1.326 1.294 ( -0.987 0.736 0.494) 1.326 1.315 ( 1.474 -2.203 0.813) 2.772 1.315 ( 1.474 2.203 0.813) 2.772 1.338 ( -1.786 -1.247 2.428) 3.263 1.338 ( -1.786 1.247 2.428) 3.263 1.408 ( 0.952 -0.224 -0.279) 1.017 1.408 ( 0.952 0.224 -0.279) 1.017 1.425 ( -0.703 -1.686 1.081) 2.122 1.425 ( -0.703 1.686 1.081) 2.122 1.471 ( 1.929 -1.185 -0.208) 2.273 1.471 ( 1.929 1.185 -0.208) 2.273 1.501 ( 0.241 -0.567 0.359) 0.713 1.501 ( 0.241 0.567 0.359) 0.713 1.539 ( -0.887 -1.002 -1.787) 2.232 1.539 ( -0.887 1.002 -1.787) 2.232 1.597 ( -0.324 -2.809 1.261) 3.096 1.597 ( -0.324 2.809 1.261) 3.096 1.654 ( 0.470 -0.734 1.350) 1.607 1.654 ( 0.470 0.734 1.350) 1.607 1.719 ( -1.078 -1.830 -1.142) 2.412 1.719 ( -1.078 1.830 -1.142) 2.412 1.769 ( 0.185 -1.818 1.156) 2.163 1.769 ( 0.185 1.818 1.156) 2.163 1.803 ( -0.745 -1.533 1.331) 2.162 1.803 ( -0.745 1.533 1.331) 2.162 1.882 ( 0.180 -1.660 -1.322) 2.130 1.882 ( 0.180 1.660 -1.322) 2.130 1.985 ( -0.032 -2.370 -0.164) 2.376 1.985 ( -0.032 2.370 -0.164) 2.376 2.012 ( -1.029 -0.857 0.201) 1.354 2.012 ( -1.029 0.857 0.201) 1.354 2.077 ( 0.997 -0.648 -1.903) 2.244 2.077 ( 0.997 0.648 -1.903) 2.244 2.127 ( 1.575 -1.518 -3.513) 4.138 2.127 ( 1.575 1.518 -3.513) 4.138 2.225 ( -0.531 -0.782 0.013) 0.945 2.225 ( -0.531 0.782 0.013) 0.945 2.276 ( -0.832 -1.455 1.143) 2.029 2.276 ( -0.832 1.455 1.143) 2.029 2.391 ( -1.259 -1.021 -0.246) 1.639 2.391 ( -1.259 1.021 -0.246) 1.639 2.453 ( 0.172 -1.410 1.143) 1.823 2.453 ( 0.172 1.410 1.143) 1.823 2.525 ( 0.707 -0.073 -0.964) 1.198 2.525 ( 0.707 0.073 -0.964) 1.198 2.579 ( 1.688 -0.711 -0.382) 1.871 2.579 ( 1.688 0.711 -0.382) 1.871 2.698 ( -0.146 -1.886 2.080) 2.811 2.698 ( -0.146 1.886 2.080) 2.811 2.749 ( 1.232 -0.649 -0.533) 1.491 2.749 ( 1.232 0.649 -0.533) 1.491 2.866 ( -0.341 -1.267 0.033) 1.313 2.866 ( -0.341 1.267 0.033) 1.313 2.916 ( 0.948 -1.070 0.454) 1.500 2.916 ( 0.948 1.070 0.454) 1.500 3.266 ( -0.113 -6.727 -1.295) 6.851 3.266 ( -0.113 6.727 -1.295) 6.851 3.322 ( -0.469 -5.871 0.140) 5.891 3.322 ( -0.469 5.871 0.140) 5.891 3.626 ( -1.289 -1.275 1.312) 2.238 3.626 ( -1.289 1.275 1.312) 2.238 3.709 ( 0.683 -1.028 -1.243) 1.752 3.709 ( 0.683 1.028 -1.243) 1.752 4.173 ( 0.553 -1.020 0.143) 1.169 4.173 ( 0.553 1.020 0.143) 1.169 4.251 ( -0.137 -1.316 -1.214) 1.796 4.251 ( -0.137 1.316 -1.214) 1.796 4.796 ( 0.809 -2.047 -1.373) 2.594 4.796 ( 0.809 2.047 -1.373) 2.594 5.034 ( -0.126 -2.714 -1.719) 3.215 5.034 ( -0.126 2.714 -1.719) 3.215 5.234 ( -0.740 -1.256 0.712) 1.622 5.234 ( -0.740 1.256 0.712) 1.622 5.294 ( 1.837 -2.217 0.535) 2.928 5.294 ( 1.837 2.217 0.535) 2.928 5.419 ( -1.582 -0.736 2.456) 3.012 5.419 ( -1.582 0.736 2.456) 3.012 5.488 ( 1.296 -0.657 -2.099) 2.553 5.488 ( 1.296 0.657 -2.099) 2.553 5.705 ( -3.879 -0.533 5.584) 6.820 5.705 ( -3.879 0.533 5.584) 6.820 5.887 ( 1.368 -3.172 -4.918) 6.010 5.887 ( 1.368 3.172 -4.918) 6.010 6.051 ( -0.532 -1.851 -1.304) 2.326 6.051 ( -0.532 1.851 -1.304) 2.326 6.146 ( -0.265 -2.506 -0.401) 2.551 6.146 ( -0.265 2.506 -0.401) 2.551 6.234 ( 1.340 -2.895 0.091) 3.191 6.234 ( 1.340 2.895 0.091) 3.191 6.347 ( 2.539 -1.420 1.588) 3.314 6.347 ( 2.539 1.420 1.588) 3.314 6.404 ( 0.624 -1.559 2.022) 2.628 6.404 ( 0.624 1.559 2.022) 2.628 6.444 ( -1.054 -0.887 -1.073) 1.746 6.444 ( -1.054 0.887 -1.073) 1.746 6.727 ( -1.854 -4.522 -0.484) 4.911 6.727 ( -1.854 4.522 -0.484) 4.911 6.894 ( -1.539 -1.020 0.105) 1.849 6.894 ( -1.539 1.020 0.105) 1.849 7.102 ( 3.346 -2.152 1.324) 4.193 7.102 ( 3.346 2.152 1.324) 4.193 7.285 ( -0.820 -1.599 -0.331) 1.827 7.285 ( -0.820 1.599 -0.331) 1.827 7.481 ( -0.612 -0.619 -0.236) 0.902 7.481 ( -0.612 0.619 -0.236) 0.902 7.647 ( -0.992 -1.395 0.566) 1.803 7.647 ( -0.992 1.395 0.566) 1.803 8.485 ( -0.272 -2.099 0.071) 2.118 8.485 ( -0.272 2.099 0.071) 2.118 8.549 ( -0.900 -3.317 -0.390) 3.459 8.549 ( -0.900 3.317 -0.390) 3.459 8.773 ( -1.519 -1.529 -2.301) 3.153 8.773 ( -1.519 1.529 -2.301) 3.153 8.856 ( 0.189 -0.660 1.533) 1.680 8.856 ( 0.189 0.660 1.533) 1.680 8.921 ( 0.580 -1.369 -0.129) 1.493 8.921 ( 0.580 1.369 -0.129) 1.493 9.023 ( -0.442 -1.936 0.566) 2.065 9.023 ( -0.442 1.936 0.566) 2.065 9.122 ( 1.020 -0.460 1.542) 1.905 9.122 ( 1.020 0.460 1.542) 1.905 9.225 ( 2.770 -2.024 -0.649) 3.492 9.225 ( 2.770 2.024 -0.649) 3.492 9.628 ( -0.587 -4.057 0.603) 4.143 9.628 ( -0.587 4.057 0.603) 4.143 9.674 ( 0.223 -4.588 -1.628) 4.873 9.674 ( 0.223 4.588 -1.628) 4.873 9.896 ( -1.362 -0.823 2.466) 2.935 9.896 ( -1.362 0.823 2.466) 2.935 9.953 ( 1.340 -0.622 -2.202) 2.652 9.953 ( 1.340 0.622 -2.202) 2.652 =================== 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 3/16800 10.0 6.747 4.041 6.960 0.000 0.382 0.000 3/16800 20.0 1.665 1.001 1.787 0.000 0.076 0.000 3/16800 30.0 0.912 0.563 0.989 0.000 0.037 0.000 3/16800 40.0 0.632 0.407 0.689 0.000 0.024 0.000 3/16800 50.0 0.487 0.326 0.532 0.000 0.017 0.000 3/16800 60.0 0.397 0.275 0.435 0.000 0.013 0.000 3/16800 70.0 0.336 0.239 0.369 0.000 0.010 0.000 3/16800 80.0 0.292 0.213 0.321 0.000 0.008 0.000 3/16800 90.0 0.258 0.192 0.284 0.000 0.007 0.000 3/16800 100.0 0.232 0.176 0.255 0.000 0.006 0.000 3/16800 110.0 0.211 0.162 0.232 0.000 0.005 0.000 3/16800 120.0 0.193 0.151 0.213 0.000 0.004 0.000 3/16800 130.0 0.178 0.141 0.197 0.000 0.004 0.000 3/16800 140.0 0.166 0.132 0.183 0.000 0.003 0.000 3/16800 150.0 0.155 0.125 0.171 0.000 0.003 0.000 3/16800 160.0 0.145 0.118 0.160 0.000 0.003 0.000 3/16800 170.0 0.137 0.112 0.151 0.000 0.003 0.000 3/16800 180.0 0.129 0.106 0.143 0.000 0.002 0.000 3/16800 190.0 0.123 0.102 0.135 0.000 0.002 0.000 3/16800 200.0 0.117 0.097 0.129 0.000 0.002 0.000 3/16800 210.0 0.111 0.093 0.123 0.000 0.002 0.000 3/16800 220.0 0.106 0.089 0.117 0.000 0.002 0.000 3/16800 230.0 0.102 0.086 0.112 0.000 0.002 0.000 3/16800 240.0 0.098 0.082 0.108 0.000 0.001 0.000 3/16800 250.0 0.094 0.079 0.103 0.000 0.001 0.000 3/16800 260.0 0.090 0.077 0.100 0.000 0.001 0.000 3/16800 270.0 0.087 0.074 0.096 0.000 0.001 0.000 3/16800 280.0 0.084 0.072 0.093 0.000 0.001 0.000 3/16800 290.0 0.081 0.069 0.089 0.000 0.001 0.000 3/16800 300.0 0.078 0.067 0.086 0.000 0.001 0.000 3/16800 310.0 0.076 0.065 0.084 0.000 0.001 0.000 3/16800 320.0 0.074 0.063 0.081 0.000 0.001 0.000 3/16800 330.0 0.071 0.061 0.079 0.000 0.001 0.000 3/16800 340.0 0.069 0.060 0.076 0.000 0.001 0.000 3/16800 350.0 0.067 0.058 0.074 0.000 0.001 0.000 3/16800 360.0 0.065 0.056 0.072 0.000 0.001 0.000 3/16800 370.0 0.064 0.055 0.070 0.000 0.001 0.000 3/16800 380.0 0.062 0.054 0.068 0.000 0.001 0.000 3/16800 390.0 0.060 0.052 0.067 0.000 0.001 0.000 3/16800 400.0 0.059 0.051 0.065 0.000 0.001 0.000 3/16800 410.0 0.058 0.050 0.063 0.000 0.001 0.000 3/16800 420.0 0.056 0.049 0.062 0.000 0.001 0.000 3/16800 430.0 0.055 0.048 0.061 0.000 0.001 0.000 3/16800 440.0 0.054 0.047 0.059 0.000 0.001 0.000 3/16800 450.0 0.052 0.046 0.058 0.000 0.001 0.000 3/16800 460.0 0.051 0.045 0.057 0.000 0.001 0.000 3/16800 470.0 0.050 0.044 0.055 0.000 0.001 0.000 3/16800 480.0 0.049 0.043 0.054 0.000 0.001 0.000 3/16800 490.0 0.048 0.042 0.053 0.000 0.001 0.000 3/16800 500.0 0.047 0.041 0.052 0.000 0.001 0.000 3/16800 510.0 0.046 0.040 0.051 0.000 0.001 0.000 3/16800 520.0 0.045 0.040 0.050 0.000 0.001 0.000 3/16800 530.0 0.045 0.039 0.049 0.000 0.001 0.000 3/16800 540.0 0.044 0.038 0.048 0.000 0.001 0.000 3/16800 550.0 0.043 0.038 0.047 0.000 0.000 0.000 3/16800 560.0 0.042 0.037 0.047 0.000 0.000 0.000 3/16800 570.0 0.042 0.036 0.046 0.000 0.000 0.000 3/16800 580.0 0.041 0.036 0.045 0.000 0.000 0.000 3/16800 590.0 0.040 0.035 0.044 0.000 0.000 0.000 3/16800 600.0 0.039 0.035 0.044 0.000 0.000 0.000 3/16800 610.0 0.039 0.034 0.043 0.000 0.000 0.000 3/16800 620.0 0.038 0.033 0.042 0.000 0.000 0.000 3/16800 630.0 0.038 0.033 0.041 0.000 0.000 0.000 3/16800 640.0 0.037 0.032 0.041 0.000 0.000 0.000 3/16800 650.0 0.036 0.032 0.040 0.000 0.000 0.000 3/16800 660.0 0.036 0.031 0.040 0.000 0.000 0.000 3/16800 670.0 0.035 0.031 0.039 0.000 0.000 0.000 3/16800 680.0 0.035 0.031 0.038 0.000 0.000 0.000 3/16800 690.0 0.034 0.030 0.038 0.000 0.000 0.000 3/16800 700.0 0.034 0.030 0.037 0.000 0.000 0.000 3/16800 710.0 0.033 0.029 0.037 0.000 0.000 0.000 3/16800 720.0 0.033 0.029 0.036 0.000 0.000 0.000 3/16800 730.0 0.032 0.028 0.036 0.000 0.000 0.000 3/16800 740.0 0.032 0.028 0.035 0.000 0.000 0.000 3/16800 750.0 0.032 0.028 0.035 0.000 0.000 0.000 3/16800 760.0 0.031 0.027 0.034 0.000 0.000 0.000 3/16800 770.0 0.031 0.027 0.034 0.000 0.000 0.000 3/16800 780.0 0.030 0.027 0.034 0.000 0.000 0.000 3/16800 790.0 0.030 0.026 0.033 0.000 0.000 0.000 3/16800 800.0 0.030 0.026 0.033 0.000 0.000 0.000 3/16800 810.0 0.029 0.026 0.032 0.000 0.000 0.000 3/16800 820.0 0.029 0.025 0.032 0.000 0.000 0.000 3/16800 830.0 0.029 0.025 0.032 0.000 0.000 0.000 3/16800 840.0 0.028 0.025 0.031 0.000 0.000 0.000 3/16800 850.0 0.028 0.025 0.031 0.000 0.000 0.000 3/16800 860.0 0.028 0.024 0.030 0.000 0.000 0.000 3/16800 870.0 0.027 0.024 0.030 0.000 0.000 0.000 3/16800 880.0 0.027 0.024 0.030 0.000 0.000 0.000 3/16800 890.0 0.027 0.023 0.029 0.000 0.000 0.000 3/16800 900.0 0.026 0.023 0.029 0.000 0.000 0.000 3/16800 910.0 0.026 0.023 0.029 0.000 0.000 0.000 3/16800 920.0 0.026 0.023 0.028 0.000 0.000 0.000 3/16800 930.0 0.026 0.022 0.028 0.000 0.000 0.000 3/16800 940.0 0.025 0.022 0.028 0.000 0.000 0.000 3/16800 950.0 0.025 0.022 0.028 0.000 0.000 0.000 3/16800 960.0 0.025 0.022 0.027 0.000 0.000 0.000 3/16800 970.0 0.024 0.022 0.027 0.000 0.000 0.000 3/16800 980.0 0.024 0.021 0.027 0.000 0.000 0.000 3/16800 990.0 0.024 0.021 0.026 0.000 0.000 0.000 3/16800 1000.0 0.024 0.021 0.026 0.000 0.000 0.000 3/16800 Thermal conductivity related properties were written into "kappa-m545.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 20:08:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|